0 B14R1.462 C#CCCNc1ccc(cc1)[N+](=O)[O-] 2230a_100015195142_100000688953 [0,0,0,0,0,0|2,0,1]=3 1 B14R1.462 C#CCCNc1ccc(cc1)[N+](=O)[O-] 34a_100015195142_100000688953 [0,0,0,0,0,0|2,0,1]=3 2 B14R1.462 C#CCCOc1ccc(cc1)C(=O)C 34a_100000185113_100000688953 [0,0,0,0,0,0|3,0,1]=4 3 B14R1.462 C#CCCOc1ccc(cc1)C(=O)C 7a_100000185113_100000688953 [0,0,0,0,0,0|3,0,1]=4 4 B14R1.462 C#CCCOc1ccc(cc1)C(=O)N 34a_100000746352_100000688953 [0,0,0,0,0,0|3,0,1]=4 5 B14R1.462 C#CCCOc1ccc(cc1)C(=O)N 7a_100000746352_100000688953 [0,0,0,0,0,0|3,0,1]=4 6 B14R1.462 C#CCCOc1ccc(cc1)S(=O)C 34a_200000064373_100000688953 [0,0,0,0,0,0|3,0,1]=4 7 B14R1.462 C#CCCOc1ccc(cc1)S(=O)C 7a_200000064373_100000688953 [0,0,0,0,0,0|3,0,1]=4 8 B14R1.462 C#CCCOc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_100000688953 [0,0,0,0,0,0|1,0,1]=2 9 B14R1.462 C#CCCOc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_100000688953 [0,0,0,0,0,0|1,0,1]=2 10 B14R1.462 C#CCCOc1ccc(nc1)[N+](=O)[O-] 7a_100000060138_100000688953 [0,0,0,0,0,0|2,0,1]=3 11 B14R1.462 C#CCNCc1ccc(cc1)[N+](=O)[O-] 2230a_100000742766_100000038162 [0,0,0,0,0,0|3,0,1]=4 12 B14R1.462 C#CCNCc1ccc(cc1)[N+](=O)[O-] 34a_100000212058_100000181861 [0,0,0,0,0,0|3,0,1]=4 13 B14R1.462 C#CCNCc1ccc(cc1)[N+](=O)[O-] 34a_100000742766_100000184674 [0,0,0,0,0,0|3,0,1]=4 14 B14R1.462 C#CCOCc1ccc(cc1)[N+](=O)[O-] 34a_100000210247_100000181861 [0,0,0,0,0,0|3,0,1]=4 15 B14R1.462 C#CCOCc1ccc(cc1)[N+](=O)[O-] 34a_100000211695_100000184674 [0,0,0,0,0,0|3,0,1]=4 16 B14R1.462 C#CCSCc1ccc(cc1)[N+](=O)[O-] 62a_100000038162_100000184243 [0,0,0,0,0,0|3,0,1]=4 17 B14R1.462 C/C=C/CNc1ccc(cc1)[N+](=O)[O-] 34a_100015195142_100102629194 [0,0,0,0,0,0|2,0,2]=4 18 B14R1.462 C/C=C/COc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_100102629194 [0,0,0,0,0,0|1,0,2]=3 19 B14R1.462 C/C=C/COc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_100102629194 [0,0,0,0,0,0|1,0,2]=3 20 B14R1.462 C/C=C/COc1ccc(nc1)[N+](=O)[O-] 7a_100000060138_100102629194 [0,0,0,0,0,0|2,0,2]=4 21 B14R1.462 C=C(C)c1ccc(cc1)OCCCC 271570a_100000694244_100000230682 [0,0,0,0,0,0|4,0,0]=4 22 B14R1.462 C=C(C)c1ccc(cc1)OCCCC 34a_100009880102_100000210210 [0,0,0,0,0,0|4,0,0]=4 23 B14R1.462 C=C(C)c1ccc(cc1)OCCCC 7a_100009880102_100000210211 [0,0,0,0,0,0|4,0,0]=4 24 B14R1.462 C=C(C)c1ccc(cc1)OCCCF 34a_100009880102_100011934791 [0,0,0,0,0,0|4,0,0]=4 25 B14R1.462 C=C(C)c1ccc(cc1)OCCCF 7a_100009880102_100011934791 [0,0,0,0,0,0|4,0,0]=4 26 B14R1.462 C=C(C)c1ccc(cc1)OCCCO 271570a_100000694244_100000756186 [0,0,0,0,0,0|3,0,0]=3 27 B14R1.462 C=C(C)c1ccc(cc1)OCCCO 34a_100009880102_100000230001 [0,0,0,0,0,0|3,0,0]=3 28 B14R1.462 C=C(C)c1ccc(cc1)OCCCO 7a_100009880102_100011215043 [0,0,0,0,0,0|3,0,0]=3 29 B14R1.462 C=C(C)c1ccc(cc1)SCCCO 62a_100000185454_100011215043 [0,0,0,0,0,0|3,1,0]=4 30 B14R1.462 C=C(C)c1ccc(cc1)SCCCO 62a_100011215043_100000185454 [0,0,0,0,0,0|3,1,0]=4 31 B14R1.462 C=CCCNc1ccc(cc1)[N+](=O)[O-] 2230a_100015195142_100000754431 [0,0,0,0,0,0|2,0,1]=3 32 B14R1.462 C=CCCNc1ccc(cc1)[N+](=O)[O-] 34a_100015195142_100000754431 [0,0,0,0,0,0|2,0,1]=3 33 B14R1.462 C=CCCOc1ccc(cc1)C(=O)C 1458a_100011219481_200000210301 [0,0,0,0,0,0|3,0,1]=4 34 B14R1.462 C=CCCOc1ccc(cc1)C(=O)C 34a_100000185113_100000754431 [0,0,0,0,0,0|3,0,1]=4 35 B14R1.462 C=CCCOc1ccc(cc1)C(=O)C 7a_100000185113_100000754431 [0,0,0,0,0,0|3,0,1]=4 36 B14R1.462 C=CCCOc1ccc(cc1)C(=O)N 34a_100000746352_100000754431 [0,0,0,0,0,0|3,0,1]=4 37 B14R1.462 C=CCCOc1ccc(cc1)C(=O)N 7a_100000746352_100000754431 [0,0,0,0,0,0|3,0,1]=4 38 B14R1.462 C=CCCOc1ccc(cc1)C(=O)[13CH3] 1458a_100011219481_200025704644 [0,0,0,0,0,0|3,0,1]=4 39 B14R1.462 C=CCCOc1ccc(cc1)S(=O)C 34a_200000064373_100000754431 [0,0,0,0,0,0|3,0,1]=4 40 B14R1.462 C=CCCOc1ccc(cc1)S(=O)C 7a_200000064373_100000754431 [0,0,0,0,0,0|3,0,1]=4 41 B14R1.462 C=CCCOc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_100000754431 [0,0,0,0,0,0|1,0,1]=2 42 B14R1.462 C=CCCOc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_100000754431 [0,0,0,0,0,0|1,0,1]=2 43 B14R1.462 C=CCCOc1ccc(nc1)[N+](=O)[O-] 7a_100000060138_100000754431 [0,0,0,0,0,0|2,0,1]=3 44 B14R1.462 C=CCNCc1ccc(cc1)[N+](=O)[O-] 2230a_100000742766_100000210623 [0,0,0,0,0,0|3,0,1]=4 45 B14R1.462 C=CCNCc1ccc(cc1)[N+](=O)[O-] 2230a_100020586998_100000181861 [0,0,0,0,0,0|3,0,1]=4 46 B14R1.462 C=CCNCc1ccc(cc1)[N+](=O)[O-] 270004a_100020586998_100000189386 [0,0,0,0,0,0|3,0,1]=4 47 B14R1.462 C=CCNCc1ccc(cc1)[N+](=O)[O-] 34a_100000742766_100015514636 [0,0,0,0,0,0|3,0,1]=4 48 B14R1.462 C=CCOCc1ccc(cc1)[N+](=O)[O-] 34a_100000211695_100015514636 [0,0,0,0,0,0|3,0,1]=4 49 B14R1.462 C=CCOCc1ccc(cc1)[N+](=O)[O-] 34a_200000210373_100000181861 [0,0,0,0,0,0|3,0,1]=4 50 B14R1.462 C=CCSCc1ccc(cc1)[N+](=O)[O-] 62a_100000210623_100000184243 [0,0,0,0,0,0|3,0,1]=4 51 B14R1.462 CC#CCNc1ccc(cc1)[N+](=O)[O-] 2230a_100015195142_100000748600 [0,0,0,0,0,0|2,0,2]=4 52 B14R1.462 CC#CCNc1ccc(cc1)[N+](=O)[O-] 34a_100015195142_100000748600 [0,0,0,0,0,0|2,0,2]=4 53 B14R1.462 CC#CCOc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_100000748600 [0,0,0,0,0,0|1,0,2]=3 54 B14R1.462 CC#CCOc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_100000748600 [0,0,0,0,0,0|1,0,2]=3 55 B14R1.462 CC#CCOc1ccc(nc1)[N+](=O)[O-] 7a_100000060138_100000748600 [0,0,0,0,0,0|2,0,2]=4 56 B14R1.462 CC(=O)c1ccc(cc1)CNCCO 2230a_100016997473_100000756337 [0,0,0,0,0,0|4,0,0]=4 57 B14R1.462 CC(=O)c1ccc(cc1)CNCCO 34a_100016990907_100000756337 [0,0,0,0,0,0|4,0,0]=4 58 B14R1.462 CC(=O)c1ccc(cc1)COCCO 7a_100000082505_100000211926 [0,0,0,0,0,0|4,0,0]=4 59 B14R1.462 CC(=O)c1ccc(cc1)CSCCO 62a_100000211926_100000756337 [0,0,0,0,0,0|4,0,0]=4 60 B14R1.462 CC(=O)c1ccc(cc1)CSCCO 62a_100000756337_100000211926 [0,0,0,0,0,0|4,0,0]=4 61 B14R1.462 CC(=O)c1ccc(cc1)OCCC#N 7a_100000185113_100000184422 [0,0,0,0,0,0|3,0,1]=4 62 B14R1.462 CC(=O)c1ccc(cc1)OCCCF 34a_100000185113_100011934791 [0,0,0,0,0,0|3,0,0]=3 63 B14R1.462 CC(=O)c1ccc(cc1)OCCCF 7a_100000185113_100011934791 [0,0,0,0,0,0|3,0,0]=3 64 B14R1.462 CC(=O)c1ccc(cc1)OCCCO 34a_100000185113_100000230001 [0,0,0,0,0,0|2,0,0]=2 65 B14R1.462 CC(=O)c1ccc(cc1)OCCCO 7a_100000185113_100011215043 [0,0,0,0,0,0|2,0,0]=2 66 B14R1.462 CC(=O)c1ccc(cc1)SCCCF 62a_100000185465_100011934791 [0,0,0,0,0,0|3,1,0]=4 67 B14R1.462 CC(=O)c1ccc(cc1)SCCCF 62a_100011934791_100000185465 [0,0,0,0,0,0|3,1,0]=4 68 B14R1.462 CC(=O)c1ccc(cc1)SCCCO 62a_100000185465_100011215043 [0,0,0,0,0,0|2,1,0]=3 69 B14R1.462 CC(=O)c1ccc(cc1)SCCCO 62a_100011215043_100000185465 [0,0,0,0,0,0|2,1,0]=3 70 B14R1.462 CC(=O)c1ccc(cn1)OCCCF 34a_100012001710_100011934791 [0,0,0,0,0,0|4,0,0]=4 71 B14R1.462 CC(=O)c1ccc(cn1)OCCCF 7a_100012001710_100011934791 [0,0,0,0,0,0|4,0,0]=4 72 B14R1.462 CC(=O)c1ccc(cn1)OCCCO 34a_100012001710_100000230001 [0,0,0,0,0,0|3,0,0]=3 73 B14R1.462 CC(=O)c1ccc(cn1)OCCCO 7a_100012001710_100011215043 [0,0,0,0,0,0|3,0,0]=3 74 B14R1.462 CC(=O)c1ccc(cn1)SCCCO 62a_100000686046_100011215043 [0,0,0,0,0,0|3,1,0]=4 75 B14R1.462 CC(=O)c1ccc(cn1)SCCCO 62a_100011215043_100000686046 [0,0,0,0,0,0|3,1,0]=4 76 B14R1.462 CC(=O)c1ccc(nc1)NCCCO 27a_100000182051_100000690552 [0,0,0,0,0,0|4,0,0]=4 77 B14R1.462 CC(=O)c1ccc(nc1)SCCCO 62a_100000684857_100011215043 [0,0,0,0,0,0|3,1,0]=4 78 B14R1.462 CC(=O)c1ccc(nc1)SCCCO 62a_100011215043_100000684857 [0,0,0,0,0,0|3,1,0]=4 79 B14R1.462 CC(C)c1ccc(cc1)NCCCO 2230a_100000210773_100000230001 [0,0,0,0,0,0|4,0,0]=4 80 B14R1.462 CC(C)c1ccc(cc1)NCCCO 34a_100000210773_100000230001 [0,0,0,0,0,0|4,0,0]=4 81 B14R1.462 CC(C)c1ccc(cc1)NCCCO 7a_100000210773_100011215043 [0,0,0,0,0,0|4,0,0]=4 82 B14R1.462 CC(C)c1ccc(cc1)OCCCF 34a_100000181308_100011934791 [0,0,0,0,0,0|4,0,0]=4 83 B14R1.462 CC(C)c1ccc(cc1)OCCCF 7a_100000181308_100011934791 [0,0,0,0,0,0|4,0,0]=4 84 B14R1.462 CC(C)c1ccc(cc1)OCCCO 34a_100000181308_100000230001 [0,0,0,0,0,0|3,0,0]=3 85 B14R1.462 CC(C)c1ccc(cc1)OCCCO 7a_100000181308_100011215043 [0,0,0,0,0,0|3,0,0]=3 86 B14R1.462 CC(C)c1ccc(cc1)SCCCO 62a_100000750031_100011215043 [0,0,0,0,0,0|3,1,0]=4 87 B14R1.462 CC(C)c1ccc(cc1)SCCCO 62a_100011215043_100000750031 [0,0,0,0,0,0|3,1,0]=4 88 B14R1.462 CC(O)c1ccc(cc1)NCCCO 2230a_100011216399_100000230001 [0,0,0,0,0,0|3,0,1]=4 89 B14R1.462 CC(O)c1ccc(cc1)NCCCO 34a_100011216399_100000230001 [0,0,0,0,0,0|3,0,1]=4 90 B14R1.462 CC(O)c1ccc(cc1)OCCCF 34a_100000754508_100011934791 [0,0,0,0,0,0|3,0,1]=4 91 B14R1.462 CC(O)c1ccc(cc1)OCCCF 7a_100000754508_100011934791 [0,0,0,0,0,0|3,0,1]=4 92 B14R1.462 CC(O)c1ccc(cc1)OCCCO 34a_100000754508_100000230001 [0,0,0,0,0,0|2,0,1]=3 93 B14R1.462 CC(O)c1ccc(cc1)OCCCO 7a_100000754508_100011215043 [0,0,0,0,0,0|2,0,1]=3 94 B14R1.462 CC(O)c1ccc(cc1)SCCCO 62a_100000745893_100011215043 [0,0,0,0,0,0|2,1,1]=4 95 B14R1.462 CC(O)c1ccc(cc1)SCCCO 62a_100011215043_100000745893 [0,0,0,0,0,0|2,1,1]=4 96 B14R1.462 CC=CCNc1ccc(cc1)[N+](=O)[O-] 2230a_100015195142_100000070051 [0,0,0,0,0,0|2,0,2]=4 97 B14R1.462 CC=CCNc1ccc(cc1)[N+](=O)[O-] 34a_100015195142_100000070051 [0,0,0,0,0,0|2,0,2]=4 98 B14R1.462 CC=CCOc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_100000070051 [0,0,0,0,0,0|1,0,2]=3 99 B14R1.462 CC=CCOc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_100000070051 [0,0,0,0,0,0|1,0,2]=3 100 B14R1.462 CC=CCOc1ccc(nc1)[N+](=O)[O-] 7a_100000060138_100000070051 [0,0,0,0,0,0|2,0,2]=4 101 B14R1.462 CCC=NNc1ccc(cc1)[N+](=O)[O-] 4a_100000006255_100000210100 [0,0,0,0,0,0|3,0,1]=4 102 B14R1.462 CCCCCc1ccc(cc1)C(=O)C 1458a_100000037971_200000210301 [0,0,0,0,0,0|4,0,0]=4 103 B14R1.462 CCCCCc1ccc(cc1)C(=O)[13CH3] 1458a_100000037971_200025704644 [0,0,0,0,0,0|4,0,0]=4 104 B14R1.462 CCCCNc1ccc(cc1)C(=O)N 27a_100000102301_100000162191 [0,0,0,0,0,0|4,0,0]=4 105 B14R1.462 CCCCNc1ccc(cc1)C(=O)N 34a_100000210537_100000210210 [0,0,0,0,0,0|4,0,0]=4 106 B14R1.462 CCCCNc1ccc(cc1)[N+](=O)[O-] 2230a_100015195142_100000210211 [0,0,0,0,0,0|2,0,0]=2 107 B14R1.462 CCCCNc1ccc(cc1)[N+](=O)[O-] 34a_100015195142_100000210210 [0,0,0,0,0,0|2,0,0]=2 108 B14R1.462 CCCCOc1ccc(cc1)C(=O)C 1458a_100000182901_200000210301 [0,0,0,0,0,0|3,0,0]=3 109 B14R1.462 CCCCOc1ccc(cc1)C(=O)C 34a_100000185113_100000210210 [0,0,0,0,0,0|3,0,0]=3 110 B14R1.462 CCCCOc1ccc(cc1)C(=O)C 7a_100000185113_100000210211 [0,0,0,0,0,0|3,0,0]=3 111 B14R1.462 CCCCOc1ccc(cc1)C(=O)N 34a_100000746352_100000210210 [0,0,0,0,0,0|3,0,0]=3 112 B14R1.462 CCCCOc1ccc(cc1)C(=O)N 7a_100000746352_100000210211 [0,0,0,0,0,0|3,0,0]=3 113 B14R1.462 CCCCOc1ccc(cc1)C(=O)[13CH3] 1458a_100000182901_200025704644 [0,0,0,0,0,0|3,0,0]=3 114 B14R1.462 CCCCOc1ccc(cc1)C(C)C 34a_100000181308_100000210210 [0,0,0,0,0,0|4,0,0]=4 115 B14R1.462 CCCCOc1ccc(cc1)C(C)C 7a_100000181308_100000210211 [0,0,0,0,0,0|4,0,0]=4 116 B14R1.462 CCCCOc1ccc(cc1)C(C)O 34a_100000754508_100000210210 [0,0,0,0,0,0|3,0,1]=4 117 B14R1.462 CCCCOc1ccc(cc1)C(C)O 7a_100000754508_100000210211 [0,0,0,0,0,0|3,0,1]=4 118 B14R1.462 CCCCOc1ccc(cc1)N(C)C 34a_100000718910_100000210210 [0,0,0,0,0,0|3,0,1]=4 119 B14R1.462 CCCCOc1ccc(cc1)S(=O)C 34a_200000064373_100000210210 [0,0,0,0,0,0|3,0,0]=3 120 B14R1.462 CCCCOc1ccc(cc1)S(=O)C 7a_200000064373_100000210211 [0,0,0,0,0,0|3,0,0]=3 121 B14R1.462 CCCCOc1ccc(cc1)[C@H](C)N 34a_100161106496_100000210210 [0,0,0,0,0,0|4,0,0]=4 122 B14R1.462 CCCCOc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_100000210210 [0,0,0,0,0,0|1,0,0]=1 123 B14R1.462 CCCCOc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_100000210211 [0,0,0,0,0,0|1,0,0]=1 124 B14R1.462 CCCCOc1ccc(cc1)[S+](C)C 34a_100010188728_100000210210 [0,0,0,0,0,0|4,0,0]=4 125 B14R1.462 CCCCOc1ccc(cc1)[S+](C)C 7a_100010188728_100000210211 [0,0,0,0,0,0|4,0,0]=4 126 B14R1.462 CCCCOc1ccc(nc1)C(=O)C 34a_100012001710_100000210210 [0,0,0,0,0,0|4,0,0]=4 127 B14R1.462 CCCCOc1ccc(nc1)C(=O)C 7a_100012001710_100000210211 [0,0,0,0,0,0|4,0,0]=4 128 B14R1.462 CCCCOc1ccc(nc1)[N+](=O)[O-] 7a_100000060138_100000210211 [0,0,0,0,0,0|2,0,0]=2 129 B14R1.462 CCCCSc1ccc(cc1)C(=O)C 62a_100000185465_100000210210 [0,0,0,0,0,0|3,1,0]=4 130 B14R1.462 CCCCSc1ccc(cc1)C(=O)C 62a_100000210211_100000185465 [0,0,0,0,0,0|3,1,0]=4 131 B14R1.462 CCCCSc1ccc(cc1)C(=O)N 62a_100000162191_100000210210 [0,0,0,0,0,0|3,1,0]=4 132 B14R1.462 CCCCSc1ccc(cc1)C(=O)N 62a_100000210211_100000162191 [0,0,0,0,0,0|3,1,0]=4 133 B14R1.462 CCCCSc1ccc(cc1)S(=O)C 62a_100009816266_100000210210 [0,0,0,0,0,0|3,1,0]=4 134 B14R1.462 CCCNCc1ccc(cc1)[N+](=O)[O-] 207a_100020643023_100000189386 [0,0,0,0,0,0|3,0,0]=3 135 B14R1.462 CCCNCc1ccc(cc1)[N+](=O)[O-] 2230a_100000742766_100000210303 [0,0,0,0,0,0|3,0,0]=3 136 B14R1.462 CCCNCc1ccc(cc1)[N+](=O)[O-] 270004a_100020643023_100000189386 [0,0,0,0,0,0|3,0,0]=3 137 B14R1.462 CCCNCc1ccc(cc1)[N+](=O)[O-] 34a_100000742766_100000210303 [0,0,0,0,0,0|3,0,0]=3 138 B14R1.462 CCCOCc1ccc(cc1)[N+](=O)[O-] 34a_100000210258_100000181861 [0,0,0,0,0,0|3,0,0]=3 139 B14R1.462 CCCOCc1ccc(cc1)[N+](=O)[O-] 34a_100000211695_100000210303 [0,0,0,0,0,0|3,0,0]=3 140 B14R1.462 CCCSCc1ccc(cc1)[N+](=O)[O-] 62a_100000210303_100000184243 [0,0,0,0,0,0|3,0,0]=3 141 B14R1.462 CCNCCc1ccc(cc1)[N+](=O)[O-] 2230a_100000744123_100000210202 [0,0,0,0,0,0|3,0,0]=3 142 B14R1.462 CCNCCc1ccc(cc1)[N+](=O)[O-] 2230a_100015525214_100000736421 [0,0,0,0,0,0|3,0,0]=3 143 B14R1.462 CCNCCc1ccc(cc1)[N+](=O)[O-] 34a_100000744123_100000210202 [0,0,0,0,0,0|3,0,0]=3 144 B14R1.462 CCNN=Cc1ccc(cc1)[N+](=O)[O-] 4a_100000756455_100000189386 [0,0,0,0,0,0|4,0,0]=4 145 B14R1.462 CCOCCc1ccc(cc1)[N+](=O)[O-] 34a_100000704122_100000210202 [0,0,0,0,0,0|3,0,0]=3 146 B14R1.462 CCOCCc1ccc(cc1)[N+](=O)[O-] 34a_100121572206_100000736421 [0,0,0,0,0,0|3,0,0]=3 147 B14R1.462 CCOCCc1ccc(cc1)[N+](=O)[O-] 7a_100000704122_100000210202 [0,0,0,0,0,0|3,0,0]=3 148 B14R1.462 CCSCCc1ccc(cc1)[N+](=O)[O-] 62a_100000210202_100000736421 [0,0,0,0,0,0|3,0,0]=3 149 B14R1.462 CN(C)c1ccc(cc1)NCCCO 34a_100016997997_100000230001 [0,0,0,0,0,0|3,0,1]=4 150 B14R1.462 CN(C)c1ccc(cc1)OCCCF 34a_100000718910_100011934791 [0,0,0,0,0,0|3,0,1]=4 151 B14R1.462 CN(C)c1ccc(cc1)OCCCO 34a_100000718910_100000230001 [0,0,0,0,0,0|2,0,1]=3 152 B14R1.462 CN(C)c1ccc(cc1)SCCCO 62a_100000210421_100011215043 [0,0,0,0,0,0|2,1,1]=4 153 B14R1.462 CN(C)c1ccc(cc1)SCCCO 62a_100011215043_100000210421 [0,0,0,0,0,0|2,1,1]=4 154 B14R1.462 CNCCCc1ccc(cc1)[N+](=O)[O-] 2230a_106832991635_100010167727 [0,0,0,0,0,0|3,0,0]=3 155 B14R1.462 CNCCCc1ccc(cc1)[N+](=O)[O-] 34a_100102657272_100010167727 [0,0,0,0,0,0|3,0,0]=3 156 B14R1.462 CNCCCc1ccc(cc1)[N+](=O)[O-] 7a_106832991635_100010167727 [0,0,0,0,0,0|3,0,0]=3 157 B14R1.462 CNCCOc1ccc(cc1)C(=O)O 269956a_100015187144_200000210301 [0,0,0,0,0,0|3,0,1]=4 158 B14R1.462 CNCCOc1ccc(cc1)[N+](=O)[O-] 2230a_100000754164_200000210301 [0,0,0,0,0,0|2,0,0]=2 159 B14R1.462 CNCCOc1ccc(cc1)[N+](=O)[O-] 2230a_106832991635_100000742347 [0,0,0,0,0,0|2,0,0]=2 160 B14R1.462 CNCCOc1ccc(cc1)[N+](=O)[O-] 34a_100000754164_200000210301 [0,0,0,0,0,0|2,0,0]=2 161 B14R1.462 CNCCOc1ccc(cc1)[N+](=O)[O-] 34a_100102657272_100000742347 [0,0,0,0,0,0|2,0,0]=2 162 B14R1.462 CNCCOc1ccc(cc1)[N+](=O)[O-] 7a_106832991635_100000742347 [0,0,0,0,0,0|2,0,0]=2 163 B14R1.462 COC/C=C\c1ccc(cc1)[N+](=O)[O-] 34a_100016273823_200000210301 [0,0,0,0,0,0|3,0,1]=4 164 B14R1.462 COCC#Cc1ccc(cc1)[N+](=O)[O-] 34a_100000038321_200000210301 [0,0,0,0,0,0|3,0,1]=4 165 B14R1.462 COCC#Cc1ccc(cc1)[N+](=O)[O-] 7a_100000038321_200000210301 [0,0,0,0,0,0|3,0,1]=4 166 B14R1.462 COCCCc1ccc(cc1)[N+](=O)[O-] 34a_100000090596_200000210301 [0,0,0,0,0,0|3,0,0]=3 167 B14R1.462 COCCCc1ccc(cc1)[N+](=O)[O-] 34a_100138415774_100010167727 [0,0,0,0,0,0|3,0,0]=3 168 B14R1.462 COCCCc1ccc(cc1)[N+](=O)[O-] 7a_100000090596_200000210301 [0,0,0,0,0,0|3,0,0]=3 169 B14R1.462 COCCNc1ccc(cc1)[N+](=O)[O-] 2230a_100015195142_100011201679 [0,0,0,0,0,0|3,0,0]=3 170 B14R1.462 COCCNc1ccc(cc1)[N+](=O)[O-] 34a_100015195142_100011201679 [0,0,0,0,0,0|3,0,0]=3 171 B14R1.462 COCCOc1ccc(cc1)C(=O)C 1458a_100000243733_200000210301 [0,0,0,0,0,0|4,0,0]=4 172 B14R1.462 COCCOc1ccc(cc1)C(=O)C 34a_100000185113_100011201679 [0,0,0,0,0,0|4,0,0]=4 173 B14R1.462 COCCOc1ccc(cc1)C(=O)C 7a_100000185113_100000233755 [0,0,0,0,0,0|4,0,0]=4 174 B14R1.462 COCCOc1ccc(cc1)C(=O)N 34a_100000746352_100011201679 [0,0,0,0,0,0|4,0,0]=4 175 B14R1.462 COCCOc1ccc(cc1)C(=O)N 7a_100000746352_100000233755 [0,0,0,0,0,0|4,0,0]=4 176 B14R1.462 COCCOc1ccc(cc1)C(=O)[13CH3] 1458a_100000243733_200025704644 [0,0,0,0,0,0|4,0,0]=4 177 B14R1.462 COCCOc1ccc(cc1)S(=O)C 34a_200000064373_100011201679 [0,0,0,0,0,0|4,0,0]=4 178 B14R1.462 COCCOc1ccc(cc1)S(=O)C 7a_200000064373_100000233755 [0,0,0,0,0,0|4,0,0]=4 179 B14R1.462 COCCOc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_100011201679 [0,0,0,0,0,0|2,0,0]=2 180 B14R1.462 COCCOc1ccc(cc1)[N+](=O)[O-] 34a_100000193241_200000210301 [0,0,0,0,0,0|2,0,0]=2 181 B14R1.462 COCCOc1ccc(cc1)[N+](=O)[O-] 34a_100138415774_100000742347 [0,0,0,0,0,0|2,0,0]=2 182 B14R1.462 COCCOc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_100000233755 [0,0,0,0,0,0|2,0,0]=2 183 B14R1.462 COCCOc1ccc(cc1)[N+](=O)[O-] 7a_100000193241_200000210301 [0,0,0,0,0,0|2,0,0]=2 184 B14R1.462 COCCOc1ccc(cn1)[N+](=O)[O-] 34a_100000040108_200000210301 [0,0,0,0,0,0|3,0,0]=3 185 B14R1.462 COCCOc1ccc(nc1)[N+](=O)[O-] 7a_100000060138_100000233755 [0,0,0,0,0,0|3,0,0]=3 186 B14R1.462 COCCSc1ccc(cc1)[N+](=O)[O-] 7a_100000156324_200000210301 [0,0,0,0,0,0|2,1,0]=3 187 B14R1.462 COCNCc1ccc(cc1)[N+](=O)[O-] 2230a_100000742766_100000766300 [0,0,0,0,0,0|4,0,0]=4 188 B14R1.462 COCSCc1ccc(cc1)[N+](=O)[O-] 62a_100000766300_100000184243 [0,0,0,0,0,0|4,0,0]=4 189 B14R1.462 CS(=O)c1ccc(cc1)OCCC#N 7a_200000064373_100000184422 [0,0,0,0,0,0|3,0,1]=4 190 B14R1.462 CS(=O)c1ccc(cc1)OCCCF 34a_200000064373_100011934791 [0,0,0,0,0,0|3,0,0]=3 191 B14R1.462 CS(=O)c1ccc(cc1)OCCCF 7a_200000064373_100011934791 [0,0,0,0,0,0|3,0,0]=3 192 B14R1.462 CS(=O)c1ccc(cc1)OCCCO 34a_200000064373_100000230001 [0,0,0,0,0,0|2,0,0]=2 193 B14R1.462 CS(=O)c1ccc(cc1)OCCCO 7a_200000064373_100011215043 [0,0,0,0,0,0|2,0,0]=2 194 B14R1.462 CS(=O)c1ccc(cc1)SCCCF 62a_100009816266_100011934791 [0,0,0,0,0,0|3,1,0]=4 195 B14R1.462 CS(=O)c1ccc(cc1)SCCCO 62a_100009816266_100011215043 [0,0,0,0,0,0|2,1,0]=3 196 B14R1.462 CSCCCc1ccc(cc1)[N+](=O)[O-] 62a_200000210301_100010167727 [0,0,0,0,0,0|3,0,0]=3 197 B14R1.462 CSCCNc1ccc(cc1)[N+](=O)[O-] 2230a_100015195142_100000751147 [0,0,0,0,0,0|3,0,0]=3 198 B14R1.462 CSCCNc1ccc(cc1)[N+](=O)[O-] 34a_100015195142_100000212216 [0,0,0,0,0,0|3,0,0]=3 199 B14R1.462 CSCCOc1ccc(cc1)C(=O)C 34a_100000185113_100000212216 [0,0,0,0,0,0|4,0,0]=4 200 B14R1.462 CSCCOc1ccc(cc1)C(=O)C 7a_100000185113_100000212216 [0,0,0,0,0,0|4,0,0]=4 201 B14R1.462 CSCCOc1ccc(cc1)C(=O)N 34a_100000746352_100000212216 [0,0,0,0,0,0|4,0,0]=4 202 B14R1.462 CSCCOc1ccc(cc1)C(=O)N 7a_100000746352_100000212216 [0,0,0,0,0,0|4,0,0]=4 203 B14R1.462 CSCCOc1ccc(cc1)S(=O)C 34a_200000064373_100000212216 [0,0,0,0,0,0|4,0,0]=4 204 B14R1.462 CSCCOc1ccc(cc1)S(=O)C 7a_200000064373_100000212216 [0,0,0,0,0,0|4,0,0]=4 205 B14R1.462 CSCCOc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_100000212216 [0,0,0,0,0,0|2,0,0]=2 206 B14R1.462 CSCCOc1ccc(cc1)[N+](=O)[O-] 62a_200000210301_100000742347 [0,0,0,0,0,0|2,0,0]=2 207 B14R1.462 CSCCOc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_100000212216 [0,0,0,0,0,0|2,0,0]=2 208 B14R1.462 CSCCOc1ccc(nc1)[N+](=O)[O-] 7a_100000060138_100000212216 [0,0,0,0,0,0|3,0,0]=3 209 B14R1.462 CSCNCc1ccc(cc1)[N+](=O)[O-] 2230a_100000742766_100011218213 [0,0,0,0,0,0|4,0,0]=4 210 B14R1.462 CSCNCc1ccc(cc1)[N+](=O)[O-] 34a_100000742766_100011218213 [0,0,0,0,0,0|4,0,0]=4 211 B14R1.462 CSCOCc1ccc(cc1)[N+](=O)[O-] 34a_100000211695_100011218213 [0,0,0,0,0,0|4,0,0]=4 212 B14R1.462 CSCSCc1ccc(cc1)[N+](=O)[O-] 62a_100011218213_100000184243 [0,0,0,0,0,0|4,0,0]=4 213 B14R1.462 C[C@@H](N)c1ccc(cc1)SCCCO 62a_100000720352_100011215043 [0,0,0,0,0,0|3,1,0]=4 214 B14R1.462 C[C@@H](N)c1ccc(cc1)SCCCO 62a_100011215043_100000720352 [0,0,0,0,0,0|3,1,0]=4 215 B14R1.462 C[C@H](N)c1ccc(cc1)OCCCF 34a_100161106496_100011934791 [0,0,0,0,0,0|4,0,0]=4 216 B14R1.462 C[C@H](N)c1ccc(cc1)OCCCO 34a_100161106496_100000230001 [0,0,0,0,0,0|3,0,0]=3 217 B14R1.462 C[C@H](N)c1ccc(cc1)SCCCO 62a_100000753911_100011215043 [0,0,0,0,0,0|3,1,0]=4 218 B14R1.462 C[C@H](N)c1ccc(cc1)SCCCO 62a_100011215043_100000753911 [0,0,0,0,0,0|3,1,0]=4 219 B14R1.462 C[S+](C)c1ccc(cc1)OCCCF 34a_100010188728_100011934791 [0,0,0,0,0,0|4,0,0]=4 220 B14R1.462 C[S+](C)c1ccc(cc1)OCCCF 7a_100010188728_100011934791 [0,0,0,0,0,0|4,0,0]=4 221 B14R1.462 C[S+](C)c1ccc(cc1)OCCCO 34a_100010188728_100000230001 [0,0,0,0,0,0|3,0,0]=3 222 B14R1.462 C[S+](C)c1ccc(cc1)OCCCO 7a_100010188728_100011215043 [0,0,0,0,0,0|3,0,0]=3 223 B14R1.462 N#CCCNc1ccc(cc1)[N+](=O)[O-] 2230a_100015195142_100011215226 [0,0,0,0,0,0|2,0,1]=3 224 B14R1.462 N#CCCOc1ccc(cc1)C(=O)N 7a_100000746352_100000184422 [0,0,0,0,0,0|3,0,1]=4 225 B14R1.462 N#CCCOc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_100000184422 [0,0,0,0,0,0|1,0,1]=2 226 B14R1.462 N#CCCOc1ccc(nc1)[N+](=O)[O-] 7a_100000060138_100000184422 [0,0,0,0,0,0|2,0,1]=3 227 B14R1.462 N#CCNCc1ccc(cc1)[N+](=O)[O-] 2230a_100000742766_100011215382 [0,0,0,0,0,0|3,0,1]=4 228 B14R1.462 N#CCSCc1ccc(cc1)[N+](=O)[O-] 62a_100011215382_100000184243 [0,0,0,0,0,0|3,0,1]=4 229 B14R1.462 NC(=O)c1ccc(cc1)CNCCO 207a_100000210304_100000038677 [0,0,0,0,0,0|4,0,0]=4 230 B14R1.462 NC(=O)c1ccc(cc1)CNCCO 2230a_100016997473_100000231043 [0,0,0,0,0,0|4,0,0]=4 231 B14R1.462 NC(=O)c1ccc(cc1)CNCCO 270004a_100000210304_100000038677 [0,0,0,0,0,0|4,0,0]=4 232 B14R1.462 NC(=O)c1ccc(cc1)CNCCO 34a_100016990907_100000231043 [0,0,0,0,0,0|4,0,0]=4 233 B14R1.462 NC(=O)c1ccc(cc1)COCCO 34a_100000162016_100000211926 [0,0,0,0,0,0|4,0,0]=4 234 B14R1.462 NC(=O)c1ccc(cc1)COCCO 7a_100000162016_100000211926 [0,0,0,0,0,0|4,0,0]=4 235 B14R1.462 NC(=O)c1ccc(cc1)CSCCO 62a_100000211926_100000231043 [0,0,0,0,0,0|4,0,0]=4 236 B14R1.462 NC(=O)c1ccc(cc1)CSCCO 62a_100000231043_100000211926 [0,0,0,0,0,0|4,0,0]=4 237 B14R1.462 NC(=O)c1ccc(cc1)NCCCF 27a_100015189416_100000162191 [0,0,0,0,0,0|4,0,0]=4 238 B14R1.462 NC(=O)c1ccc(cc1)NCCCF 34a_100000210537_100011934791 [0,0,0,0,0,0|4,0,0]=4 239 B14R1.462 NC(=O)c1ccc(cc1)NCCCO 27a_100000182051_100000162191 [0,0,0,0,0,0|3,0,0]=3 240 B14R1.462 NC(=O)c1ccc(cc1)NCCCO 34a_100000210537_100000230001 [0,0,0,0,0,0|3,0,0]=3 241 B14R1.462 NC(=O)c1ccc(cc1)OCCCF 34a_100000746352_100011934791 [0,0,0,0,0,0|3,0,0]=3 242 B14R1.462 NC(=O)c1ccc(cc1)OCCCF 7a_100000746352_100011934791 [0,0,0,0,0,0|3,0,0]=3 243 B14R1.462 NC(=O)c1ccc(cc1)OCCCO 34a_100000746352_100000230001 [0,0,0,0,0,0|2,0,0]=2 244 B14R1.462 NC(=O)c1ccc(cc1)OCCCO 7a_100000746352_100011215043 [0,0,0,0,0,0|2,0,0]=2 245 B14R1.462 NC(=O)c1ccc(cc1)SCCCF 62a_100000162191_100011934791 [0,0,0,0,0,0|3,1,0]=4 246 B14R1.462 NC(=O)c1ccc(cc1)SCCCF 62a_100011934791_100000162191 [0,0,0,0,0,0|3,1,0]=4 247 B14R1.462 NC(=O)c1ccc(cc1)SCCCO 62a_100000162191_100011215043 [0,0,0,0,0,0|2,1,0]=3 248 B14R1.462 NC(=O)c1ccc(cc1)SCCCO 62a_100011215043_100000162191 [0,0,0,0,0,0|2,1,0]=3 249 B14R1.462 NC(=O)c1ccc(cn1)SCCCO 62a_100011215043_100011219284 [0,0,0,0,0,0|3,1,0]=4 250 B14R1.462 NC(=O)c1ccc(cn1)SCCCO 62a_100011219284_100011215043 [0,0,0,0,0,0|3,1,0]=4 251 B14R1.462 NC(=O)c1ccc(nc1)NCCCO 27a_100000182051_100000162237 [0,0,0,0,0,0|4,0,0]=4 252 B14R1.462 NC(=O)c1ccc(nc1)SCCCO 62a_100000162237_100011215043 [0,0,0,0,0,0|3,1,0]=4 253 B14R1.462 NC(=O)c1ccc(nc1)SCCCO 62a_100011215043_100000162237 [0,0,0,0,0,0|3,1,0]=4 254 B14R1.462 NCCOCc1ccc(cc1)[N+](=O)[O-] 34a_100000210304_100000181861 [0,0,0,0,0,0|3,0,0]=3 255 B14R1.462 O=C(O)c1ccc(cc1)CNCCO 269956a_100000181780_100000211926 [0,0,0,0,0,0|3,0,1]=4 256 B14R1.462 O=CCNCc1ccc(cc1)[N+](=O)[O-] 2230a_100000742766_200015260668 [0,0,0,0,0,0|2,0,2]=4 257 B14R1.462 O=CCNCc1ccc(cc1)[N+](=O)[O-] 34a_100000742766_200009817547 [0,0,0,0,0,0|2,0,2]=4 258 B14R1.462 O=CCOCc1ccc(cc1)[N+](=O)[O-] 34a_100000211695_200009817547 [0,0,0,0,0,0|2,0,2]=4 259 B14R1.462 O=CCSCc1ccc(cc1)[N+](=O)[O-] 62a_200015260668_100000184243 [0,0,0,0,0,0|2,0,2]=4 260 B14R1.462 O=[N+]([O-])c1ccc(cc1)CCNCF 34a_100000744123_100015361967 [0,0,0,0,0,0|3,0,0]=3 261 B14R1.462 O=[N+]([O-])c1ccc(cc1)CCOCF 34a_100000704122_100015361967 [0,0,0,0,0,0|3,0,0]=3 262 B14R1.462 O=[N+]([O-])c1ccc(cc1)CCOCF 7a_100000704122_100015361967 [0,0,0,0,0,0|3,0,0]=3 263 B14R1.462 O=[N+]([O-])c1ccc(cc1)CCSCF 62a_100015361967_100000736421 [0,0,0,0,0,0|3,0,0]=3 264 B14R1.462 O=[N+]([O-])c1ccc(cc1)CNCCF 2230a_100000742766_100011217306 [0,0,0,0,0,0|3,0,0]=3 265 B14R1.462 O=[N+]([O-])c1ccc(cc1)CNCCF 34a_100000724931_100000181861 [0,0,0,0,0,0|3,0,0]=3 266 B14R1.462 O=[N+]([O-])c1ccc(cc1)CNCCF 34a_100000742766_100011217306 [0,0,0,0,0,0|3,0,0]=3 267 B14R1.462 O=[N+]([O-])c1ccc(cc1)CNCCO 207a_100000210304_100000189386 [0,0,0,0,0,0|2,0,0]=2 268 B14R1.462 O=[N+]([O-])c1ccc(cc1)CNCCO 2230a_100000742766_100000211926 [0,0,0,0,0,0|2,0,0]=2 269 B14R1.462 O=[N+]([O-])c1ccc(cc1)CNCCO 2230a_100016997473_100000181861 [0,0,0,0,0,0|2,0,0]=2 270 B14R1.462 O=[N+]([O-])c1ccc(cc1)CNCCO 270004a_100000210304_100000189386 [0,0,0,0,0,0|2,0,0]=2 271 B14R1.462 O=[N+]([O-])c1ccc(cc1)CNCCO 34a_100000742766_100000211926 [0,0,0,0,0,0|2,0,0]=2 272 B14R1.462 O=[N+]([O-])c1ccc(cc1)CNCCO 34a_100016990907_100000181861 [0,0,0,0,0,0|2,0,0]=2 273 B14R1.462 O=[N+]([O-])c1ccc(cc1)COCCBr 34a_100000211926_100000181861 [0,0,0,0,0,0|3,0,0]=3 274 B14R1.462 O=[N+]([O-])c1ccc(cc1)COCCF 34a_100000211695_100011217306 [0,0,0,0,0,0|3,0,0]=3 275 B14R1.462 O=[N+]([O-])c1ccc(cc1)COCCO 34a_100000211695_100000211926 [0,0,0,0,0,0|2,0,0]=2 276 B14R1.462 O=[N+]([O-])c1ccc(cc1)CSCCF 62a_100011217306_100000184243 [0,0,0,0,0,0|3,0,0]=3 277 B14R1.462 O=[N+]([O-])c1ccc(cc1)CSCCO 62a_100000211926_100000184243 [0,0,0,0,0,0|2,0,0]=2 278 B14R1.462 O=[N+]([O-])c1ccc(cc1)NCCCF 2230a_100015195142_100011934791 [0,0,0,0,0,0|2,0,0]=2 279 B14R1.462 O=[N+]([O-])c1ccc(cc1)NCCCF 34a_100015195142_100011934791 [0,0,0,0,0,0|2,0,0]=2 280 B14R1.462 O=[N+]([O-])c1ccc(cc1)NCCCO 2230a_100015195142_100000230001 [0,0,0,0,0,0|1,0,0]=1 281 B14R1.462 O=[N+]([O-])c1ccc(cc1)NCCCO 34a_100015195142_100000230001 [0,0,0,0,0,0|1,0,0]=1 282 B14R1.462 O=[N+]([O-])c1ccc(cc1)OCCCF 34a_100000185810_100011934791 [0,0,0,0,0,0|1,0,0]=1 283 B14R1.462 O=[N+]([O-])c1ccc(cc1)OCCCF 7a_100000185810_100011934791 [0,0,0,0,0,0|1,0,0]=1 284 B14R1.462 O=[N+]([O-])c1ccc(cc1)OCCCO 34a_100000185810_100000230001 [0,0,0,0,0,0|0,0,0]=0 285 B14R1.462 O=[N+]([O-])c1ccc(cc1)OCCCO 7a_100000185810_100011215043 [0,0,0,0,0,0|0,0,0]=0 286 B14R1.462 O=[N+]([O-])c1ccc(cn1)OCCCF 7a_100000060138_100011934791 [0,0,0,0,0,0|2,0,0]=2 287 B14R1.462 O=[N+]([O-])c1ccc(cn1)OCCCO 7a_100000060138_100011215043 [0,0,0,0,0,0|1,0,0]=1 288 B14R1.462 OCCCNc1ccc(cc1)C(F)F 34a_100020620101_100000230001 [0,0,0,0,0,0|4,0,0]=4 289 B14R1.462 OCCCNc1ccc(cc1)C(F)F 7a_100020620101_100011215043 [0,0,0,0,0,0|4,0,0]=4 290 B14R1.462 OCCCSc1ccc(cc1)B(O)O 62a_100000754493_100011215043 [0,0,0,0,0,0|1,1,2]=4 291 B14R1.462 OCCCSc1ccc(cc1)B(O)O 62a_100011215043_100000754493 [0,0,0,0,0,0|1,1,2]=4 292 B14R1.462 OCCCSc1ccc(cc1)C(F)F 62a_100000687661_100011215043 [0,0,0,0,0,0|3,1,0]=4 293 B14R1.462 OCCCSc1ccc(cc1)C(F)F 62a_100011215043_100000687661 [0,0,0,0,0,0|3,1,0]=4 294 B14R1.462 [13CH3]NCCOc1ccc(cc1)C(=O)O 269956a_100015187144_200025704644 [0,0,0,0,0,0|3,0,1]=4 295 B14R1.462 [13CH3]NCCOc1ccc(cc1)[N+](=O)[O-] 2230a_100000754164_200025704644 [0,0,0,0,0,0|2,0,0]=2 296 B14R1.462 [13CH3]NCCOc1ccc(cc1)[N+](=O)[O-] 34a_100000754164_200025704644 [0,0,0,0,0,0|2,0,0]=2 297 B14R1.462 [13CH3]OC/C=C\c1ccc(cc1)[N+](=O)[O-] 34a_100016273823_200025704644 [0,0,0,0,0,0|3,0,1]=4 298 B14R1.462 [13CH3]OCC#Cc1ccc(cc1)[N+](=O)[O-] 34a_100000038321_200025704644 [0,0,0,0,0,0|3,0,1]=4 299 B14R1.462 [13CH3]OCC#Cc1ccc(cc1)[N+](=O)[O-] 7a_100000038321_200025704644 [0,0,0,0,0,0|3,0,1]=4 300 B14R1.462 [13CH3]OCCCc1ccc(cc1)[N+](=O)[O-] 34a_100000090596_200025704644 [0,0,0,0,0,0|3,0,0]=3 301 B14R1.462 [13CH3]OCCCc1ccc(cc1)[N+](=O)[O-] 7a_100000090596_200025704644 [0,0,0,0,0,0|3,0,0]=3 302 B14R1.462 [13CH3]OCCOc1ccc(cc1)[N+](=O)[O-] 34a_100000193241_200025704644 [0,0,0,0,0,0|2,0,0]=2 303 B14R1.462 [13CH3]OCCOc1ccc(cc1)[N+](=O)[O-] 7a_100000193241_200025704644 [0,0,0,0,0,0|2,0,0]=2 304 B14R1.462 [13CH3]OCCOc1ccc(cn1)[N+](=O)[O-] 34a_100000040108_200025704644 [0,0,0,0,0,0|3,0,0]=3 305 B14R1.462 [13CH3]OCCSc1ccc(cc1)[N+](=O)[O-] 7a_100000156324_200025704644 [0,0,0,0,0,0|2,1,0]=3 306 B14R1.462 [13CH3]SCCCc1ccc(cc1)[N+](=O)[O-] 62a_200025704644_100010167727 [0,0,0,0,0,0|3,0,0]=3 307 B14R1.462 [13CH3]SCCOc1ccc(cc1)[N+](=O)[O-] 62a_200025704644_100000742347 [0,0,0,0,0,0|2,0,0]=2 308 B13R1.74 C#CCNc1ccc(cc1)[N+](=O)[O-] 2230a_100015195142_100000038162 [1,0,0,0,0,0|1,0,2]=4 309 B13R1.74 C#CCNc1ccc(cc1)[N+](=O)[O-] 34a_100015195142_100000184674 [1,0,0,0,0,0|1,0,2]=4 310 B13R1.74 C#CCOc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_100000184674 [1,0,0,0,0,0|0,0,2]=3 311 B13R1.74 C#CCOc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_100000038162 [1,0,0,0,0,0|0,0,2]=3 312 B13R1.74 C#CCOc1ccc(nc1)[N+](=O)[O-] 7a_100000060138_100000038162 [1,0,0,0,0,0|1,0,2]=4 313 B13R1.74 C=C(C)c1ccc(cc1)CCCO 271570a_100000694244_100011709247 [1,0,0,0,0,0|3,0,0]=4 314 B13R1.74 C=C(C)c1ccc(cc1)OCCC 271570a_100000694244_100000169948 [1,0,0,0,0,0|3,0,0]=4 315 B13R1.74 C=C(C)c1ccc(cc1)OCCC 34a_100009880102_100000210303 [1,0,0,0,0,0|3,0,0]=4 316 B13R1.74 C=C(C)c1ccc(cc1)OCCC 7a_100009880102_100000210303 [1,0,0,0,0,0|3,0,0]=4 317 B13R1.74 C=C(C)c1ccc(cc1)OCCO 271570a_100000694244_100000686261 [1,0,0,0,0,0|3,0,0]=4 318 B13R1.74 C=C(C)c1ccc(cc1)OCCO 34a_100009880102_100000211926 [1,0,0,0,0,0|3,0,0]=4 319 B13R1.74 C=C(C)c1ccc(cc1)OCCO 7a_100009880102_100000211926 [1,0,0,0,0,0|3,0,0]=4 320 B13R1.74 C=CCNc1ccc(cc1)[N+](=O)[O-] 2230a_100015195142_100000210623 [1,0,0,0,0,0|1,0,2]=4 321 B13R1.74 C=CCNc1ccc(cc1)[N+](=O)[O-] 34a_100015195142_100015514636 [1,0,0,0,0,0|1,0,2]=4 322 B13R1.74 C=CCOc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_100015514636 [1,0,0,0,0,0|0,0,2]=3 323 B13R1.74 C=CCOc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_100015514636 [1,0,0,0,0,0|0,0,2]=3 324 B13R1.74 C=CCOc1ccc(nc1)[N+](=O)[O-] 7a_100000060138_100015514636 [1,0,0,0,0,0|1,0,2]=4 325 B13R1.74 CC(=O)c1ccc(cc1)OCCF 34a_100000185113_100011217306 [1,0,0,0,0,0|3,0,0]=4 326 B13R1.74 CC(=O)c1ccc(cc1)OCCF 7a_100000185113_100011217306 [1,0,0,0,0,0|3,0,0]=4 327 B13R1.74 CC(=O)c1ccc(cc1)OCCO 1458a_100000217286_200000210301 [1,0,0,0,0,0|2,0,0]=3 328 B13R1.74 CC(=O)c1ccc(cc1)OCCO 34a_100000185113_100000211926 [1,0,0,0,0,0|2,0,0]=3 329 B13R1.74 CC(=O)c1ccc(cc1)OCCO 7a_100000185113_100000211926 [1,0,0,0,0,0|2,0,0]=3 330 B13R1.74 CC(=O)c1ccc(cc1)SCCO 1458a_200000182347_200000210301 [1,0,0,0,0,0|2,1,0]=4 331 B13R1.74 CC(=O)c1ccc(cc1)SCCO 62a_100000185465_100000211926 [1,0,0,0,0,0|2,1,0]=4 332 B13R1.74 CC(=O)c1ccc(cc1)SCCO 62a_100000211926_100000185465 [1,0,0,0,0,0|2,1,0]=4 333 B13R1.74 CC(=O)c1ccc(cn1)OCCO 34a_100012001710_100000211926 [1,0,0,0,0,0|3,0,0]=4 334 B13R1.74 CC(=O)c1ccc(cn1)OCCO 7a_100012001710_100000211926 [1,0,0,0,0,0|3,0,0]=4 335 B13R1.74 CC(C)c1ccc(cc1)OCCO 34a_100000181308_100000211926 [1,0,0,0,0,0|3,0,0]=4 336 B13R1.74 CC(C)c1ccc(cc1)OCCO 7a_100000181308_100000211926 [1,0,0,0,0,0|3,0,0]=4 337 B13R1.74 CC(O)c1ccc(cc1)OCCO 34a_100000754508_100000211926 [1,0,0,0,0,0|2,0,1]=4 338 B13R1.74 CC(O)c1ccc(cc1)OCCO 7a_100000754508_100000211926 [1,0,0,0,0,0|2,0,1]=4 339 B13R1.74 CC=NNc1ccc(cc1)[N+](=O)[O-] 4a_100000006255_200000210099 [1,0,0,0,0,0|2,0,1]=4 340 B13R1.74 CCCCc1ccc(cc1)C(=O)C 1458a_100000186158_200000210301 [1,0,0,0,0,0|3,0,0]=4 341 B13R1.74 CCCCc1ccc(cc1)C(=O)C 271570a_100020621405_100000185465 [1,0,0,0,0,0|3,0,0]=4 342 B13R1.74 CCCCc1ccc(cc1)C(=O)N 271570a_100020621405_100000162191 [1,0,0,0,0,0|3,0,0]=4 343 B13R1.74 CCCCc1ccc(cc1)C(=O)[13CH3] 1458a_100000186158_200025704644 [1,0,0,0,0,0|3,0,0]=4 344 B13R1.74 CCCCc1ccc(cc1)S(=O)C 271570a_100020621405_100009816266 [1,0,0,0,0,0|3,0,0]=4 345 B13R1.74 CCCNc1ccc(cc1)C(=O)N 34a_100000210537_100000210303 [1,0,0,0,0,0|3,0,0]=4 346 B13R1.74 CCCNc1ccc(cc1)[N+](=O)[O-] 2230a_100015195142_100000210303 [1,0,0,0,0,0|1,0,0]=2 347 B13R1.74 CCCNc1ccc(cc1)[N+](=O)[O-] 34a_100015195142_100000210303 [1,0,0,0,0,0|1,0,0]=2 348 B13R1.74 CCCOc1ccc(cc1)C(=O)C 1458a_100000182924_200000210301 [1,0,0,0,0,0|2,0,0]=3 349 B13R1.74 CCCOc1ccc(cc1)C(=O)C 34a_100000185113_100000210303 [1,0,0,0,0,0|2,0,0]=3 350 B13R1.74 CCCOc1ccc(cc1)C(=O)C 7a_100000185113_100000210303 [1,0,0,0,0,0|2,0,0]=3 351 B13R1.74 CCCOc1ccc(cc1)C(=O)N 34a_100000746352_100000210303 [1,0,0,0,0,0|2,0,0]=3 352 B13R1.74 CCCOc1ccc(cc1)C(=O)N 7a_100000746352_100000210303 [1,0,0,0,0,0|2,0,0]=3 353 B13R1.74 CCCOc1ccc(cc1)C(=O)[13CH3] 1458a_100000182924_200025704644 [1,0,0,0,0,0|2,0,0]=3 354 B13R1.74 CCCOc1ccc(cc1)C(C)C 34a_100000181308_100000210303 [1,0,0,0,0,0|3,0,0]=4 355 B13R1.74 CCCOc1ccc(cc1)C(C)C 7a_100000181308_100000210303 [1,0,0,0,0,0|3,0,0]=4 356 B13R1.74 CCCOc1ccc(cc1)C(C)O 34a_100000754508_100000210303 [1,0,0,0,0,0|2,0,1]=4 357 B13R1.74 CCCOc1ccc(cc1)C(C)O 7a_100000754508_100000210303 [1,0,0,0,0,0|2,0,1]=4 358 B13R1.74 CCCOc1ccc(cc1)N(C)C 34a_100000718910_100000210303 [1,0,0,0,0,0|2,0,1]=4 359 B13R1.74 CCCOc1ccc(cc1)S(=O)C 34a_200000064373_100000210303 [1,0,0,0,0,0|2,0,0]=3 360 B13R1.74 CCCOc1ccc(cc1)S(=O)C 7a_200000064373_100000210303 [1,0,0,0,0,0|2,0,0]=3 361 B13R1.74 CCCOc1ccc(cc1)[C@H](C)N 34a_100161106496_100000210303 [1,0,0,0,0,0|3,0,0]=4 362 B13R1.74 CCCOc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_100000210303 [1,0,0,0,0,0|0,0,0]=1 363 B13R1.74 CCCOc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_100000210303 [1,0,0,0,0,0|0,0,0]=1 364 B13R1.74 CCCOc1ccc(cc1)[S+](C)C 34a_100010188728_100000210303 [1,0,0,0,0,0|3,0,0]=4 365 B13R1.74 CCCOc1ccc(cc1)[S+](C)C 7a_100010188728_100000210303 [1,0,0,0,0,0|3,0,0]=4 366 B13R1.74 CCCOc1ccc(nc1)C(=O)C 34a_100012001710_100000210303 [1,0,0,0,0,0|3,0,0]=4 367 B13R1.74 CCCOc1ccc(nc1)C(=O)C 7a_100012001710_100000210303 [1,0,0,0,0,0|3,0,0]=4 368 B13R1.74 CCCOc1ccc(nc1)[N+](=O)[O-] 7a_100000060138_100000210303 [1,0,0,0,0,0|1,0,0]=2 369 B13R1.74 CCCSc1ccc(cc1)C(=O)C 62a_100000185465_100000210303 [1,0,0,0,0,0|2,1,0]=4 370 B13R1.74 CCCSc1ccc(cc1)C(=O)C 62a_100000210303_100000185465 [1,0,0,0,0,0|2,1,0]=4 371 B13R1.74 CCCSc1ccc(cc1)C(=O)N 62a_100000162191_100000210303 [1,0,0,0,0,0|2,1,0]=4 372 B13R1.74 CCCSc1ccc(cc1)C(=O)N 62a_100000210303_100000162191 [1,0,0,0,0,0|2,1,0]=4 373 B13R1.74 CCCSc1ccc(cc1)S(=O)C 62a_100009816266_100000210303 [1,0,0,0,0,0|2,1,0]=4 374 B13R1.74 CCNCc1ccc(cc1)[N+](=O)[O-] 207a_100015525214_100000189386 [1,0,0,0,0,0|2,0,0]=3 375 B13R1.74 CCNCc1ccc(cc1)[N+](=O)[O-] 2230a_100000742766_100000210202 [1,0,0,0,0,0|2,0,0]=3 376 B13R1.74 CCNCc1ccc(cc1)[N+](=O)[O-] 2230a_100015525214_100000181861 [1,0,0,0,0,0|2,0,0]=3 377 B13R1.74 CCNCc1ccc(cc1)[N+](=O)[O-] 270004a_100015525214_100000189386 [1,0,0,0,0,0|2,0,0]=3 378 B13R1.74 CCNCc1ccc(cc1)[N+](=O)[O-] 34a_100000742766_100000210202 [1,0,0,0,0,0|2,0,0]=3 379 B13R1.74 CCOCc1ccc(cc1)[N+](=O)[O-] 34a_100000211695_100000210202 [1,0,0,0,0,0|2,0,0]=3 380 B13R1.74 CCOCc1ccc(cc1)[N+](=O)[O-] 34a_100121572206_100000181861 [1,0,0,0,0,0|2,0,0]=3 381 B13R1.74 CCSCc1ccc(cc1)[N+](=O)[O-] 62a_100000210202_100000184243 [1,0,0,0,0,0|2,0,0]=3 382 B13R1.74 CN(C)c1ccc(cc1)OCCO 34a_100000718910_100000211926 [1,0,0,0,0,0|2,0,1]=4 383 B13R1.74 CNCCc1ccc(cc1)[N+](=O)[O-] 2230a_100000744123_200000210301 [1,0,0,0,0,0|2,0,0]=3 384 B13R1.74 CNCCc1ccc(cc1)[N+](=O)[O-] 2230a_106832991635_100000736421 [1,0,0,0,0,0|2,0,0]=3 385 B13R1.74 CNCCc1ccc(cc1)[N+](=O)[O-] 34a_100000744123_200000210301 [1,0,0,0,0,0|2,0,0]=3 386 B13R1.74 CNCCc1ccc(cc1)[N+](=O)[O-] 34a_100102657272_100000736421 [1,0,0,0,0,0|2,0,0]=3 387 B13R1.74 CNCCc1ccc(cc1)[N+](=O)[O-] 7a_106832991635_100000736421 [1,0,0,0,0,0|2,0,0]=3 388 B13R1.74 COCCc1ccc(cc1)[N+](=O)[O-] 34a_100000704122_200000210301 [1,0,0,0,0,0|2,0,0]=3 389 B13R1.74 COCCc1ccc(cc1)[N+](=O)[O-] 34a_100138415774_100000736421 [1,0,0,0,0,0|2,0,0]=3 390 B13R1.74 COCCc1ccc(cc1)[N+](=O)[O-] 7a_100000704122_200000210301 [1,0,0,0,0,0|2,0,0]=3 391 B13R1.74 COCNc1ccc(cc1)[N+](=O)[O-] 2230a_100015195142_100000766300 [1,0,0,0,0,0|2,0,0]=3 392 B13R1.74 COCOc1ccc(cc1)C(=O)C 1458a_100000230389_200000210301 [1,0,0,0,0,0|3,0,0]=4 393 B13R1.74 COCOc1ccc(cc1)C(=O)[13CH3] 1458a_100000230389_200025704644 [1,0,0,0,0,0|3,0,0]=4 394 B13R1.74 CS(=O)c1ccc(cc1)OCCF 34a_200000064373_100011217306 [1,0,0,0,0,0|3,0,0]=4 395 B13R1.74 CS(=O)c1ccc(cc1)OCCF 7a_200000064373_100011217306 [1,0,0,0,0,0|3,0,0]=4 396 B13R1.74 CS(=O)c1ccc(cc1)OCCO 34a_200000064373_100000211926 [1,0,0,0,0,0|2,0,0]=3 397 B13R1.74 CS(=O)c1ccc(cc1)OCCO 7a_200000064373_100000211926 [1,0,0,0,0,0|2,0,0]=3 398 B13R1.74 CS(=O)c1ccc(cc1)SCCO 62a_100009816266_100000211926 [1,0,0,0,0,0|2,1,0]=4 399 B13R1.74 CSCCc1ccc(cc1)[N+](=O)[O-] 62a_200000210301_100000736421 [1,0,0,0,0,0|2,0,0]=3 400 B13R1.74 CSCNc1ccc(cc1)[N+](=O)[O-] 2230a_100015195142_100011218213 [1,0,0,0,0,0|2,0,0]=3 401 B13R1.74 CSCNc1ccc(cc1)[N+](=O)[O-] 34a_100015195142_100011218213 [1,0,0,0,0,0|2,0,0]=3 402 B13R1.74 CSCOc1ccc(cc1)C(=O)C 34a_100000185113_100011218213 [1,0,0,0,0,0|3,0,0]=4 403 B13R1.74 CSCOc1ccc(cc1)C(=O)N 34a_100000746352_100011218213 [1,0,0,0,0,0|3,0,0]=4 404 B13R1.74 CSCOc1ccc(cc1)S(=O)C 34a_200000064373_100011218213 [1,0,0,0,0,0|3,0,0]=4 405 B13R1.74 CSCOc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_100011218213 [1,0,0,0,0,0|1,0,0]=2 406 B13R1.74 C[C@H](N)c1ccc(cc1)OCCO 34a_100161106496_100000211926 [1,0,0,0,0,0|3,0,0]=4 407 B13R1.74 C[S+](C)c1ccc(cc1)OCCO 34a_100010188728_100000211926 [1,0,0,0,0,0|3,0,0]=4 408 B13R1.74 C[S+](C)c1ccc(cc1)OCCO 7a_100010188728_100000211926 [1,0,0,0,0,0|3,0,0]=4 409 B13R1.74 N#CCNc1ccc(cc1)[N+](=O)[O-] 2230a_100015195142_100011215382 [1,0,0,0,0,0|2,0,1]=4 410 B13R1.74 N#CCOc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_100011215382 [1,0,0,0,0,0|1,0,1]=3 411 B13R1.74 N#CCOc1ccc(nc1)[N+](=O)[O-] 7a_100000060138_100011215382 [1,0,0,0,0,0|2,0,1]=4 412 B13R1.74 NC(=O)c1ccc(cc1)NCCO 27a_100000210304_100000162191 [1,0,0,0,0,0|3,0,0]=4 413 B13R1.74 NC(=O)c1ccc(cc1)NCCO 34a_100000210537_100000211926 [1,0,0,0,0,0|3,0,0]=4 414 B13R1.74 NC(=O)c1ccc(cc1)OCCF 34a_100000746352_100011217306 [1,0,0,0,0,0|3,0,0]=4 415 B13R1.74 NC(=O)c1ccc(cc1)OCCF 7a_100000746352_100011217306 [1,0,0,0,0,0|3,0,0]=4 416 B13R1.74 NC(=O)c1ccc(cc1)OCCO 34a_100000746352_100000211926 [1,0,0,0,0,0|2,0,0]=3 417 B13R1.74 NC(=O)c1ccc(cc1)OCCO 7a_100000746352_100000211926 [1,0,0,0,0,0|2,0,0]=3 418 B13R1.74 NC(=O)c1ccc(cc1)SCCO 62a_100000162191_100000211926 [1,0,0,0,0,0|2,1,0]=4 419 B13R1.74 NC(=O)c1ccc(cc1)SCCO 62a_100000211926_100000162191 [1,0,0,0,0,0|2,1,0]=4 420 B13R1.74 O=CCNc1ccc(cc1)[N+](=O)[O-] 2230a_100015195142_200015260668 [1,0,0,0,0,0|1,0,2]=4 421 B13R1.74 O=CCNc1ccc(cc1)[N+](=O)[O-] 34a_100015195142_200009817547 [1,0,0,0,0,0|1,0,2]=4 422 B13R1.74 O=CCOc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_200009817547 [1,0,0,0,0,0|0,0,2]=3 423 B13R1.74 O=CCOc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_200015260668 [1,0,0,0,0,0|0,0,2]=3 424 B13R1.74 O=CCOc1ccc(nc1)[N+](=O)[O-] 7a_100000060138_200015260668 [1,0,0,0,0,0|1,0,2]=4 425 B13R1.74 O=[N+]([O-])c1ccc(cc1)CNCF 34a_100000742766_100015361967 [1,0,0,0,0,0|2,0,0]=3 426 B13R1.74 O=[N+]([O-])c1ccc(cc1)COCF 34a_100000211695_100015361967 [1,0,0,0,0,0|2,0,0]=3 427 B13R1.74 O=[N+]([O-])c1ccc(cc1)CSCF 62a_100015361967_100000184243 [1,0,0,0,0,0|2,0,0]=3 428 B13R1.74 O=[N+]([O-])c1ccc(cc1)NCCF 2230a_100015195142_100011217306 [1,0,0,0,0,0|2,0,0]=3 429 B13R1.74 O=[N+]([O-])c1ccc(cc1)NCCF 34a_100015195142_100011217306 [1,0,0,0,0,0|2,0,0]=3 430 B13R1.74 O=[N+]([O-])c1ccc(cc1)NCCO 2230a_100015195142_100000211926 [1,0,0,0,0,0|1,0,0]=2 431 B13R1.74 O=[N+]([O-])c1ccc(cc1)NCCO 34a_100015195142_100000211926 [1,0,0,0,0,0|1,0,0]=2 432 B13R1.74 O=[N+]([O-])c1ccc(cc1)OCCF 34a_100000185810_100011217306 [1,0,0,0,0,0|1,0,0]=2 433 B13R1.74 O=[N+]([O-])c1ccc(cc1)OCCF 7a_100000185810_100011217306 [1,0,0,0,0,0|1,0,0]=2 434 B13R1.74 O=[N+]([O-])c1ccc(cc1)OCCO 34a_100000185810_100000211926 [1,0,0,0,0,0|0,0,0]=1 435 B13R1.74 O=[N+]([O-])c1ccc(cc1)OCCO 7a_100000185810_100000211926 [1,0,0,0,0,0|0,0,0]=1 436 B13R1.74 O=[N+]([O-])c1ccc(cn1)OCCF 7a_100000060138_100011217306 [1,0,0,0,0,0|2,0,0]=3 437 B13R1.74 O=[N+]([O-])c1ccc(cn1)OCCO 7a_100000060138_100000211926 [1,0,0,0,0,0|1,0,0]=2 438 B13R1.74 [13CH3]C(=O)c1ccc(cc1)OCCO 1458a_100000217286_200025704644 [1,0,0,0,0,0|2,0,0]=3 439 B13R1.74 [13CH3]C(=O)c1ccc(cc1)SCCO 1458a_200000182347_200025704644 [1,0,0,0,0,0|2,1,0]=4 440 B13R1.74 [13CH3]NCCc1ccc(cc1)[N+](=O)[O-] 2230a_100000744123_200025704644 [1,0,0,0,0,0|2,0,0]=3 441 B13R1.74 [13CH3]NCCc1ccc(cc1)[N+](=O)[O-] 34a_100000744123_200025704644 [1,0,0,0,0,0|2,0,0]=3 442 B13R1.74 [13CH3]OCCc1ccc(cc1)[N+](=O)[O-] 34a_100000704122_200025704644 [1,0,0,0,0,0|2,0,0]=3 443 B13R1.74 [13CH3]OCCc1ccc(cc1)[N+](=O)[O-] 7a_100000704122_200025704644 [1,0,0,0,0,0|2,0,0]=3 444 B13R1.74 [13CH3]SCCc1ccc(cc1)[N+](=O)[O-] 62a_200025704644_100000736421 [1,0,0,0,0,0|2,0,0]=3 445 B13R1.371 C#Cc1ccc(cc1)NCCCO 34a_100011215031_100000230001 [1,0,0,0,0,0|3,0,0]=4 446 B13R1.371 C#Cc1ccc(nc1)OCCCO 34a_200009884252_100000230001 [1,0,0,0,0,0|3,0,0]=4 447 B13R1.371 C=Cc1ccc(cc1)NCCCO 34a_100011218248_100000230001 [1,0,0,0,0,0|3,0,0]=4 448 B13R1.371 C=Cc1ccc(cc1)OCCCC 271570a_100011290941_100000230682 [1,0,0,0,0,0|3,0,0]=4 449 B13R1.371 C=Cc1ccc(cc1)OCCCC 34a_100000189437_100000210210 [1,0,0,0,0,0|3,0,0]=4 450 B13R1.371 C=Cc1ccc(cc1)OCCCC 7a_100000189437_100000210211 [1,0,0,0,0,0|3,0,0]=4 451 B13R1.371 C=Cc1ccc(cc1)OCCCF 34a_100000189437_100011934791 [1,0,0,0,0,0|3,0,0]=4 452 B13R1.371 C=Cc1ccc(cc1)OCCCF 7a_100000189437_100011934791 [1,0,0,0,0,0|3,0,0]=4 453 B13R1.371 C=Cc1ccc(cc1)OCCCO 271570a_100011290941_100000756186 [1,0,0,0,0,0|2,0,0]=3 454 B13R1.371 C=Cc1ccc(cc1)OCCCO 34a_100000189437_100000230001 [1,0,0,0,0,0|2,0,0]=3 455 B13R1.371 C=Cc1ccc(cc1)OCCCO 7a_100000189437_100011215043 [1,0,0,0,0,0|2,0,0]=3 456 B13R1.371 C=Cc1ccc(cc1)SCCCO 62a_100000748128_100011215043 [1,0,0,0,0,0|2,1,0]=4 457 B13R1.371 C=Cc1ccc(cc1)SCCCO 62a_100011215043_100000748128 [1,0,0,0,0,0|2,1,0]=4 458 B13R1.371 CCCCOc1ccc(cc1)C#N 34a_100000210344_100000210210 [1,0,0,0,0,0|3,0,0]=4 459 B13R1.371 CCCCOc1ccc(cc1)C#N 7a_100000210344_100000210211 [1,0,0,0,0,0|3,0,0]=4 460 B13R1.371 CCCCOc1ccc(cc1)CC 34a_100000211359_100000210210 [1,0,0,0,0,0|3,0,0]=4 461 B13R1.371 CCCCOc1ccc(cc1)CC 7a_100000211359_100000210211 [1,0,0,0,0,0|3,0,0]=4 462 B13R1.371 CCCCOc1ccc(cc1)CN 34a_100000185549_100000210210 [1,0,0,0,0,0|3,0,0]=4 463 B13R1.371 CCCCOc1ccc(cc1)CO 34a_100000211755_100000210210 [1,0,0,0,0,0|2,0,1]=4 464 B13R1.371 CCCCOc1ccc(cc1)NC 2230a_100011194258_200000210301 [1,0,0,0,0,0|2,0,1]=4 465 B13R1.371 CCCCOc1ccc(cc1)NC 34a_100000182112_100000210210 [1,0,0,0,0,0|2,0,1]=4 466 B13R1.371 CCCCOc1ccc(cc1)NC 34a_100011194258_200000210301 [1,0,0,0,0,0|2,0,1]=4 467 B13R1.371 CCCCOc1ccc(cc1)N[13CH3] 2230a_100011194258_200025704644 [1,0,0,0,0,0|2,0,1]=4 468 B13R1.371 CCCCOc1ccc(cc1)N[13CH3] 34a_100011194258_200025704644 [1,0,0,0,0,0|2,0,1]=4 469 B13R1.371 CCCCOc1ccc(cc1)OC 34a_100000210503_100000210210 [1,0,0,0,0,0|3,0,0]=4 470 B13R1.371 CCCCOc1ccc(cc1)OC 34a_100011215020_200000210301 [1,0,0,0,0,0|3,0,0]=4 471 B13R1.371 CCCCOc1ccc(cc1)OC 7a_100011215020_200000210301 [1,0,0,0,0,0|3,0,0]=4 472 B13R1.371 CCCCOc1ccc(cc1)O[13CH3] 34a_100011215020_200025704644 [1,0,0,0,0,0|3,0,0]=4 473 B13R1.371 CCCCOc1ccc(cc1)O[13CH3] 7a_100011215020_200025704644 [1,0,0,0,0,0|3,0,0]=4 474 B13R1.371 CCCCOc1ccc(cc1)SC 34a_100000211864_100000210210 [1,0,0,0,0,0|3,0,0]=4 475 B13R1.371 CCCCOc1ccc(cc1)SC 62a_200000210301_100000230682 [1,0,0,0,0,0|3,0,0]=4 476 B13R1.371 CCCCOc1ccc(cc1)S[13CH3] 62a_200025704644_100000230682 [1,0,0,0,0,0|3,0,0]=4 477 B13R1.371 CCCCSc1ccc(cc1)C=O 62a_100000188517_100000210210 [1,0,0,0,0,0|2,1,0]=4 478 B13R1.371 CCCCSc1ccc(cc1)C=O 62a_100000210211_100000188517 [1,0,0,0,0,0|2,1,0]=4 479 B13R1.371 CCc1ccc(cc1)NCCCO 2230a_100000211069_100000230001 [1,0,0,0,0,0|3,0,0]=4 480 B13R1.371 CCc1ccc(cc1)NCCCO 34a_100000211069_100000230001 [1,0,0,0,0,0|3,0,0]=4 481 B13R1.371 CCc1ccc(cc1)OCCCF 34a_100000211359_100011934791 [1,0,0,0,0,0|3,0,0]=4 482 B13R1.371 CCc1ccc(cc1)OCCCF 7a_100000211359_100011934791 [1,0,0,0,0,0|3,0,0]=4 483 B13R1.371 CCc1ccc(cc1)OCCCO 34a_100000211359_100000230001 [1,0,0,0,0,0|2,0,0]=3 484 B13R1.371 CCc1ccc(cc1)OCCCO 7a_100000211359_100011215043 [1,0,0,0,0,0|2,0,0]=3 485 B13R1.371 CCc1ccc(cc1)SCCCO 62a_100011215043_100011215824 [1,0,0,0,0,0|2,1,0]=4 486 B13R1.371 CCc1ccc(cc1)SCCCO 62a_100011215824_100011215043 [1,0,0,0,0,0|2,1,0]=4 487 B13R1.371 CNCCOc1ccc(cc1)C=O 2230a_106832991635_100000040479 [1,0,0,0,0,0|3,0,0]=4 488 B13R1.371 CNCCOc1ccc(cc1)C=O 34a_100102657272_100000040479 [1,0,0,0,0,0|3,0,0]=4 489 B13R1.371 CNCCOc1ccc(cc1)C=O 7a_106832991635_100000040479 [1,0,0,0,0,0|3,0,0]=4 490 B13R1.371 CNc1ccc(cc1)OCCCF 34a_100000182112_100011934791 [1,0,0,0,0,0|2,0,1]=4 491 B13R1.371 CNc1ccc(cc1)OCCCO 2230a_100000730458_200000210301 [1,0,0,0,0,0|1,0,1]=3 492 B13R1.371 CNc1ccc(cc1)OCCCO 34a_100000182112_100000230001 [1,0,0,0,0,0|1,0,1]=3 493 B13R1.371 CNc1ccc(cc1)OCCCO 34a_100000730458_200000210301 [1,0,0,0,0,0|1,0,1]=3 494 B13R1.371 CNc1ccc(cc1)SCCCO 62a_100000743151_100011215043 [1,0,0,0,0,0|1,1,1]=4 495 B13R1.371 CNc1ccc(cc1)SCCCO 62a_100011215043_100000743151 [1,0,0,0,0,0|1,1,1]=4 496 B13R1.371 COCCOc1ccc(cc1)C=O 34a_100138415774_100000040479 [1,0,0,0,0,0|3,0,0]=4 497 B13R1.371 COc1ccc(cc1)NCCCO 34a_100000184247_100000230001 [1,0,0,0,0,0|3,0,0]=4 498 B13R1.371 COc1ccc(cc1)OCCCF 34a_100000210503_100011934791 [1,0,0,0,0,0|3,0,0]=4 499 B13R1.371 COc1ccc(cc1)OCCCO 34a_100000210503_100000230001 [1,0,0,0,0,0|2,0,0]=3 500 B13R1.371 COc1ccc(cc1)SCCCO 62a_100011215043_100000171711 [1,0,0,0,0,0|2,1,0]=4 501 B13R1.371 COc1ccc(cn1)OCCCO 34a_100011934560_100000230001 [1,0,0,0,0,0|3,0,0]=4 502 B13R1.371 COc1ccc(nc1)OCCCO 34a_100012002028_100000230001 [1,0,0,0,0,0|3,0,0]=4 503 B13R1.371 CSCCOc1ccc(cc1)C=O 62a_100000040479_200000210301 [1,0,0,0,0,0|3,0,0]=4 504 B13R1.371 CSCCOc1ccc(cc1)C=O 62a_200000210301_100000040479 [1,0,0,0,0,0|3,0,0]=4 505 B13R1.371 CSc1ccc(cc1)NCCCO 34a_100000212337_100000230001 [1,0,0,0,0,0|3,0,0]=4 506 B13R1.371 CSc1ccc(cc1)OCCCF 34a_100000211864_100011934791 [1,0,0,0,0,0|3,0,0]=4 507 B13R1.371 CSc1ccc(cc1)OCCCO 34a_100000211864_100000230001 [1,0,0,0,0,0|2,0,0]=3 508 B13R1.371 CSc1ccc(cc1)OCCCO 62a_100000756186_200000210301 [1,0,0,0,0,0|2,0,0]=3 509 B13R1.371 CSc1ccc(cc1)OCCCO 62a_200000210301_100000756186 [1,0,0,0,0,0|2,0,0]=3 510 B13R1.371 CSc1ccc(cc1)SCCCO 62a_100011215043_100011263217 [1,0,0,0,0,0|2,1,0]=4 511 B13R1.371 CSc1ccc(cc1)SCCCO 62a_100011263217_100011215043 [1,0,0,0,0,0|2,1,0]=4 512 B13R1.371 N#Cc1ccc(cc1)NCCCO 34a_100000185469_100000230001 [1,0,0,0,0,0|3,0,0]=4 513 B13R1.371 N#Cc1ccc(cc1)OCCCF 34a_100000210344_100011934791 [1,0,0,0,0,0|3,0,0]=4 514 B13R1.371 N#Cc1ccc(cc1)OCCCF 7a_100000210344_100011934791 [1,0,0,0,0,0|3,0,0]=4 515 B13R1.371 N#Cc1ccc(cc1)OCCCO 34a_100000210344_100000230001 [1,0,0,0,0,0|2,0,0]=3 516 B13R1.371 N#Cc1ccc(cc1)OCCCO 7a_100000210344_100011215043 [1,0,0,0,0,0|2,0,0]=3 517 B13R1.371 N#Cc1ccc(cc1)SCCCO 62a_100011215043_100000184291 [1,0,0,0,0,0|2,1,0]=4 518 B13R1.371 N#Cc1ccc(cn1)OCCCO 34a_100011934750_100000230001 [1,0,0,0,0,0|3,0,0]=4 519 B13R1.371 N#Cc1ccc(cn1)OCCCO 7a_100011934750_100011215043 [1,0,0,0,0,0|3,0,0]=4 520 B13R1.371 NCc1ccc(cc1)OCCCF 34a_100000185549_100011934791 [1,0,0,0,0,0|3,0,0]=4 521 B13R1.371 NCc1ccc(cc1)OCCCO 34a_100000185549_100000230001 [1,0,0,0,0,0|2,0,0]=3 522 B13R1.371 NCc1ccc(cc1)SCCCO 62a_100011215043_100016989417 [1,0,0,0,0,0|2,1,0]=4 523 B13R1.371 NCc1ccc(cc1)SCCCO 62a_100016989417_100011215043 [1,0,0,0,0,0|2,1,0]=4 524 B13R1.371 NCc1ccc(cn1)OCCCO 34a_100020605196_100000230001 [1,0,0,0,0,0|3,0,0]=4 525 B13R1.371 NCc1ccc(nc1)OCCCO 34a_100000757128_100000230001 [1,0,0,0,0,0|3,0,0]=4 526 B13R1.371 NNc1ccc(cc1)SCCCO 62a_100011215043_100016988836 [1,0,0,0,0,0|1,1,1]=4 527 B13R1.371 NNc1ccc(cc1)SCCCO 62a_100016988836_100011215043 [1,0,0,0,0,0|1,1,1]=4 528 B13R1.371 O=Cc1ccc(cc1)CNCCO 2230a_100016997473_100009816848 [1,0,0,0,0,0|3,0,0]=4 529 B13R1.371 O=Cc1ccc(cc1)CNCCO 34a_100016990907_100009816848 [1,0,0,0,0,0|3,0,0]=4 530 B13R1.371 O=Cc1ccc(cc1)CSCCO 62a_100000211926_100009816848 [1,0,0,0,0,0|3,0,0]=4 531 B13R1.371 O=Cc1ccc(cc1)CSCCO 62a_100009816848_100000211926 [1,0,0,0,0,0|3,0,0]=4 532 B13R1.371 O=Cc1ccc(cc1)SCCCF 62a_100000188517_100011934791 [1,0,0,0,0,0|2,1,0]=4 533 B13R1.371 O=Cc1ccc(cc1)SCCCF 62a_100011934791_100000188517 [1,0,0,0,0,0|2,1,0]=4 534 B13R1.371 O=Cc1ccc(cc1)SCCCO 62a_100000188517_100011215043 [1,0,0,0,0,0|1,1,0]=3 535 B13R1.371 O=Cc1ccc(cc1)SCCCO 62a_100011215043_100000188517 [1,0,0,0,0,0|1,1,0]=3 536 B13R1.371 O=Cc1ccc(cn1)SCCCO 62a_100000754260_100011215043 [1,0,0,0,0,0|2,1,0]=4 537 B13R1.371 O=Cc1ccc(cn1)SCCCO 62a_100011215043_100000754260 [1,0,0,0,0,0|2,1,0]=4 538 B13R1.371 O=Cc1ccc(nc1)SCCCO 62a_100000766901_100011215043 [1,0,0,0,0,0|2,1,0]=4 539 B13R1.371 O=Cc1ccc(nc1)SCCCO 62a_100011215043_100000766901 [1,0,0,0,0,0|2,1,0]=4 540 B13R1.371 OCCCNc1ccc(cc1)CO 2230a_100011215238_100000230001 [1,0,0,0,0,0|2,0,1]=4 541 B13R1.371 OCCCNc1ccc(cc1)CO 34a_100011215238_100000230001 [1,0,0,0,0,0|2,0,1]=4 542 B13R1.371 OCCCOc1ccc(cc1)CO 34a_100000211755_100000230001 [1,0,0,0,0,0|1,0,1]=3 543 B13R1.371 OCCCOc1ccc(nc1)CO 34a_103436540053_100000230001 [1,0,0,0,0,0|2,0,1]=4 544 B13R1.371 OCCCSc1ccc(cc1)CF 62a_100010268989_100011215043 [1,0,0,0,0,0|2,1,0]=4 545 B13R1.371 OCCCSc1ccc(cc1)CF 62a_100011215043_100010268989 [1,0,0,0,0,0|2,1,0]=4 546 B13R1.371 OCCCSc1ccc(cc1)CO 62a_100000690907_100011215043 [1,0,0,0,0,0|1,1,1]=4 547 B13R1.371 OCCCSc1ccc(cc1)CO 62a_100011215043_100000690907 [1,0,0,0,0,0|1,1,1]=4 548 B13R1.371 OCc1ccc(cc1)OCCCF 34a_100000211755_100011934791 [1,0,0,0,0,0|2,0,1]=4 549 B13R1.371 [13CH3]Nc1ccc(cc1)OCCCO 2230a_100000730458_200025704644 [1,0,0,0,0,0|1,0,1]=3 550 B13R1.371 [13CH3]Nc1ccc(cc1)OCCCO 34a_100000730458_200025704644 [1,0,0,0,0,0|1,0,1]=3 551 B13R1.371 [13CH3]SCCOc1ccc(cc1)C=O 62a_100000040479_200025704644 [1,0,0,0,0,0|3,0,0]=4 552 B13R1.371 [13CH3]SCCOc1ccc(cc1)C=O 62a_200025704644_100000040479 [1,0,0,0,0,0|3,0,0]=4 553 B13R1.371 [13CH3]Sc1ccc(cc1)OCCCO 62a_100000756186_200025704644 [1,0,0,0,0,0|2,0,0]=3 554 B13R1.371 [13CH3]Sc1ccc(cc1)OCCCO 62a_200025704644_100000756186 [1,0,0,0,0,0|2,0,0]=3 555 B15R1.557 CC(=NO)c1ccc(cc1)OCCCO 34a_100000164205_100000230001 [0,1,0,0,0,0|2,0,1]=4 556 B15R1.557 CC(CN)c1ccc(cc1)OCCCO 34a_200015188644_100000230001 [0,1,0,0,0,0|3,0,0]=4 557 B15R1.557 CCC(=O)c1ccc(cc1)OCCCF 34a_100000212119_100011934791 [0,1,0,0,0,0|3,0,0]=4 558 B15R1.557 CCC(=O)c1ccc(cc1)OCCCF 7a_100000212119_100011934791 [0,1,0,0,0,0|3,0,0]=4 559 B15R1.557 CCC(=O)c1ccc(cc1)OCCCO 34a_100000212119_100000230001 [0,1,0,0,0,0|2,0,0]=3 560 B15R1.557 CCC(=O)c1ccc(cc1)OCCCO 7a_100000212119_100011215043 [0,1,0,0,0,0|2,0,0]=3 561 B15R1.557 CCC(=O)c1ccc(cc1)SCCCO 62a_100000211647_100011215043 [0,1,0,0,0,0|2,1,0]=4 562 B15R1.557 CCC(=O)c1ccc(cc1)SCCCO 62a_100011215043_100000211647 [0,1,0,0,0,0|2,1,0]=4 563 B15R1.557 CCC(C)c1ccc(cc1)OCCCO 34a_100000211540_100000230001 [0,1,0,0,0,0|3,0,0]=4 564 B15R1.557 CCC(C)c1ccc(cc1)OCCCO 7a_100000211540_100011215043 [0,1,0,0,0,0|3,0,0]=4 565 B15R1.557 CCC(N)c1ccc(cc1)OCCCO 34a_100015187210_100000230001 [0,1,0,0,0,0|3,0,0]=4 566 B15R1.557 CCCCOc1ccc(cc1)C(=O)CBr 7a_100009814261_100000210211 [0,1,0,0,0,0|3,0,0]=4 567 B15R1.557 CCCCOc1ccc(cc1)C(=O)CC 1458a_100000182901_100000210202 [0,1,0,0,0,0|3,0,0]=4 568 B15R1.557 CCCCOc1ccc(cc1)C(=O)CC 34a_100000212119_100000210210 [0,1,0,0,0,0|3,0,0]=4 569 B15R1.557 CCCCOc1ccc(cc1)C(=O)CC 7a_100000212119_100000210211 [0,1,0,0,0,0|3,0,0]=4 570 B15R1.557 CCCCOc1ccc(cc1)C(=O)CCl 7a_100000018856_100000210211 [0,1,0,0,0,0|3,0,0]=4 571 B15R1.557 CCCCOc1ccc(cc1)C(=O)CF 1458a_100000182901_100015361967 [0,1,0,0,0,0|3,0,0]=4 572 B15R1.557 CCCCOc1ccc(cc1)C(=O)CF 34a_200010654591_100000210210 [0,1,0,0,0,0|3,0,0]=4 573 B15R1.557 CCCCOc1ccc(cc1)C(=O)CF 7a_200010654591_100000210211 [0,1,0,0,0,0|3,0,0]=4 574 B15R1.557 CCCCOc1ccc(cc1)C(=O)NC 11a_106832991635_100000182901 [0,1,0,0,0,0|3,0,0]=4 575 B15R1.557 CCCCOc1ccc(cc1)C(=O)NC 1626a_100102657272_100000182901 [0,1,0,0,0,0|3,0,0]=4 576 B15R1.557 CCCCOc1ccc(cc1)C(=O)NC 240690a_100102657272_100000182901 [0,1,0,0,0,0|3,0,0]=4 577 B15R1.557 CCCCOc1ccc(cc1)C(=O)NC 34a_100000192141_100000210210 [0,1,0,0,0,0|3,0,0]=4 578 B15R1.557 CCCCOc1ccc(cc1)C(=O)NC 527a_100102657272_100000182901 [0,1,0,0,0,0|3,0,0]=4 579 B15R1.557 CCCCOc1ccc(cc1)C(=O)NC 7a_100000192141_100000210211 [0,1,0,0,0,0|3,0,0]=4 580 B15R1.557 CCCCOc1ccc(cc1)C(=O)NN 34a_100000185078_100000210210 [0,1,0,0,0,0|3,0,0]=4 581 B15R1.557 CCCCOc1ccc(cc1)C(=O)OC 34a_100000150123_100000210210 [0,1,0,0,0,0|2,0,1]=4 582 B15R1.557 CCCCOc1ccc(cc1)C(=O)OC 7a_100000150123_100000210211 [0,1,0,0,0,0|2,0,1]=4 583 B15R1.557 CNC(=O)c1ccc(cc1)NCCCO 2230a_100000184841_100000230001 [0,1,0,0,0,0|3,0,0]=4 584 B15R1.557 CNC(=O)c1ccc(cc1)NCCCO 27a_100000182051_100000155074 [0,1,0,0,0,0|3,0,0]=4 585 B15R1.557 CNC(=O)c1ccc(cc1)NCCCO 34a_100000184841_100000230001 [0,1,0,0,0,0|3,0,0]=4 586 B15R1.557 CNC(=O)c1ccc(cc1)OCCCF 34a_100000192141_100011934791 [0,1,0,0,0,0|3,0,0]=4 587 B15R1.557 CNC(=O)c1ccc(cc1)OCCCF 7a_100000192141_100011934791 [0,1,0,0,0,0|3,0,0]=4 588 B15R1.557 CNC(=O)c1ccc(cc1)OCCCO 34a_100000192141_100000230001 [0,1,0,0,0,0|2,0,0]=3 589 B15R1.557 CNC(=O)c1ccc(cc1)OCCCO 7a_100000192141_100011215043 [0,1,0,0,0,0|2,0,0]=3 590 B15R1.557 CNC(=O)c1ccc(cc1)SCCCO 62a_100000155074_100011215043 [0,1,0,0,0,0|2,1,0]=4 591 B15R1.557 CNC(=O)c1ccc(cc1)SCCCO 62a_100011215043_100000155074 [0,1,0,0,0,0|2,1,0]=4 592 B15R1.557 CNC(=O)c1ccc(cn1)OCCCO 34a_100009861314_100000230001 [0,1,0,0,0,0|3,0,0]=4 593 B15R1.557 CNC(=O)c1ccc(cn1)OCCCO 7a_100009861314_100011215043 [0,1,0,0,0,0|3,0,0]=4 594 B15R1.557 COC(=O)c1ccc(cc1)OCCCF 34a_100000150123_100011934791 [0,1,0,0,0,0|2,0,1]=4 595 B15R1.557 COC(=O)c1ccc(cc1)OCCCF 7a_100000150123_100011934791 [0,1,0,0,0,0|2,0,1]=4 596 B15R1.557 COC(=O)c1ccc(cc1)OCCCO 34a_100000150123_100000230001 [0,1,0,0,0,0|1,0,1]=3 597 B15R1.557 COC(=O)c1ccc(cc1)OCCCO 7a_100000150123_100011215043 [0,1,0,0,0,0|1,0,1]=3 598 B15R1.557 COC(=O)c1ccc(cc1)SCCCO 62a_100000150774_100011215043 [0,1,0,0,0,0|1,1,1]=4 599 B15R1.557 COC(=O)c1ccc(cc1)SCCCO 62a_100011215043_100000150774 [0,1,0,0,0,0|1,1,1]=4 600 B15R1.557 COC(=O)c1ccc(cn1)OCCCO 34a_100011997255_100000230001 [0,1,0,0,0,0|2,0,1]=4 601 B15R1.557 COC(=O)c1ccc(cn1)OCCCO 7a_100011997255_100011215043 [0,1,0,0,0,0|2,0,1]=4 602 B15R1.557 COC(C)c1ccc(cc1)OCCCO 34a_200010658654_100000230001 [0,1,0,0,0,0|2,0,1]=4 603 B15R1.557 COC(C)c1ccc(cc1)OCCCO 7a_200010658654_100011215043 [0,1,0,0,0,0|2,0,1]=4 604 B15R1.557 N#CC(=O)c1ccc(cc1)SCCCO 62a_100011215043_100009994572 [0,1,0,0,0,0|2,1,0]=4 605 B15R1.557 NC(=NO)c1ccc(cc1)OCCCO 34a_100000231063_100000230001 [0,1,0,0,0,0|2,0,1]=4 606 B15R1.557 NCC(=O)c1ccc(cc1)SCCCO 62a_100000017248_100011215043 [0,1,0,0,0,0|2,1,0]=4 607 B15R1.557 NCC(=O)c1ccc(cc1)SCCCO 62a_100011215043_100000017248 [0,1,0,0,0,0|2,1,0]=4 608 B15R1.557 NCC(O)c1ccc(cc1)OCCCO 34a_100000067596_100000230001 [0,1,0,0,0,0|2,0,1]=4 609 B15R1.557 NNC(=O)c1ccc(cc1)NCCCO 27a_100000182051_100000183614 [0,1,0,0,0,0|3,0,0]=4 610 B15R1.557 NNC(=O)c1ccc(cc1)OCCCF 34a_100000185078_100011934791 [0,1,0,0,0,0|3,0,0]=4 611 B15R1.557 NNC(=O)c1ccc(cc1)OCCCO 34a_100000185078_100000230001 [0,1,0,0,0,0|2,0,0]=3 612 B15R1.557 NNC(=O)c1ccc(cc1)SCCCO 62a_100000183614_100011215043 [0,1,0,0,0,0|2,1,0]=4 613 B15R1.557 NNC(=O)c1ccc(cc1)SCCCO 62a_100011215043_100000183614 [0,1,0,0,0,0|2,1,0]=4 614 B15R1.557 O=C(CBr)c1ccc(cc1)OCCCF 7a_100009814261_100011934791 [0,1,0,0,0,0|3,0,0]=4 615 B15R1.557 O=C(CBr)c1ccc(cc1)OCCCO 7a_100009814261_100011215043 [0,1,0,0,0,0|2,0,0]=3 616 B15R1.557 O=C(CCl)c1ccc(cc1)OCCCF 7a_100000018856_100011934791 [0,1,0,0,0,0|3,0,0]=4 617 B15R1.557 O=C(CCl)c1ccc(cc1)OCCCO 7a_100000018856_100011215043 [0,1,0,0,0,0|2,0,0]=3 618 B15R1.557 O=C(CF)c1ccc(cc1)OCCCF 34a_200010654591_100011934791 [0,1,0,0,0,0|3,0,0]=4 619 B15R1.557 O=C(CF)c1ccc(cc1)OCCCF 7a_200010654591_100011934791 [0,1,0,0,0,0|3,0,0]=4 620 B15R1.557 O=C(CF)c1ccc(cc1)OCCCO 34a_200010654591_100000230001 [0,1,0,0,0,0|2,0,0]=3 621 B15R1.557 O=C(CF)c1ccc(cc1)OCCCO 7a_200010654591_100011215043 [0,1,0,0,0,0|2,0,0]=3 622 B15R1.557 O=C(CO)c1ccc(cc1)SCCCO 62a_100011215043_100011219529 [0,1,0,0,0,0|1,1,1]=4 623 B15R1.557 O=C(CO)c1ccc(cc1)SCCCO 62a_100011219529_100011215043 [0,1,0,0,0,0|1,1,1]=4 624 B15R1.557 O=CC(=O)c1ccc(cc1)SCCCO 62a_100000725942_100011215043 [0,1,0,0,0,0|1,1,1]=4 625 B15R1.557 O=CC(=O)c1ccc(cc1)SCCCO 62a_100011215043_100000725942 [0,1,0,0,0,0|1,1,1]=4 626 B15R1.558 C#CCCOc1ccc(cc1)S(=O)(=O)[O-] 7a_100000698548_100000688953 [0,1,0,0,0,0|2,0,1]=4 627 B15R1.558 C=CCCOc1ccc(cc1)S(=O)(=O)[O-] 7a_100000698548_100000754431 [0,1,0,0,0,0|2,0,1]=4 628 B15R1.558 CC(C)(C)c1ccc(cc1)OCCCO 34a_100000185729_100000230001 [0,1,0,0,0,0|3,0,0]=4 629 B15R1.558 CC(C)(C)c1ccc(cc1)OCCCO 7a_100000185729_100011215043 [0,1,0,0,0,0|3,0,0]=4 630 B15R1.558 CC(C)(O)c1ccc(cc1)OCCCO 34a_100000695648_100000230001 [0,1,0,0,0,0|2,0,1]=4 631 B15R1.558 CC(C)(O)c1ccc(cc1)OCCCO 7a_100000695648_100011215043 [0,1,0,0,0,0|2,0,1]=4 632 B15R1.558 CCCCOc1ccc(cc1)S(=O)(=O)C 34a_100000230201_100000210210 [0,1,0,0,0,0|2,0,1]=4 633 B15R1.558 CCCCOc1ccc(cc1)S(=O)(=O)C 7a_100000230201_100000210211 [0,1,0,0,0,0|2,0,1]=4 634 B15R1.558 CCCCOc1ccc(cc1)S(=O)(=O)N 34a_100000738502_100000210210 [0,1,0,0,0,0|2,0,1]=4 635 B15R1.558 CCCCOc1ccc(cc1)S(=O)(=O)N 7a_100000738502_100000210211 [0,1,0,0,0,0|2,0,1]=4 636 B15R1.558 CCCCOc1ccc(cc1)S(=O)(=O)[O-] 7a_100000698548_100000210211 [0,1,0,0,0,0|2,0,0]=3 637 B15R1.558 COCCOc1ccc(cc1)S(=O)(=O)[O-] 7a_100000698548_100000233755 [0,1,0,0,0,0|3,0,0]=4 638 B15R1.558 CS(=O)(=O)c1ccc(cc1)NCCCO 34a_100000195502_100000230001 [0,1,0,0,0,0|2,0,1]=4 639 B15R1.558 CS(=O)(=O)c1ccc(cc1)NCCCO 7a_100000195502_100011215043 [0,1,0,0,0,0|2,0,1]=4 640 B15R1.558 CS(=O)(=O)c1ccc(cc1)OCCCF 34a_100000230201_100011934791 [0,1,0,0,0,0|2,0,1]=4 641 B15R1.558 CS(=O)(=O)c1ccc(cc1)OCCCF 7a_100000230201_100011934791 [0,1,0,0,0,0|2,0,1]=4 642 B15R1.558 CS(=O)(=O)c1ccc(cc1)OCCCO 34a_100000230201_100000230001 [0,1,0,0,0,0|1,0,1]=3 643 B15R1.558 CS(=O)(=O)c1ccc(cc1)OCCCO 7a_100000230201_100011215043 [0,1,0,0,0,0|1,0,1]=3 644 B15R1.558 CS(=O)(=O)c1ccc(cc1)SCCCO 62a_100000765142_100011215043 [0,1,0,0,0,0|1,1,1]=4 645 B15R1.558 CS(=O)(=O)c1ccc(cc1)SCCCO 62a_100011215043_100000765142 [0,1,0,0,0,0|1,1,1]=4 646 B15R1.558 CSCCOc1ccc(cc1)S(=O)(=O)[O-] 7a_100000698548_100000212216 [0,1,0,0,0,0|3,0,0]=4 647 B15R1.558 N#CCCOc1ccc(cc1)S(=O)(=O)[O-] 7a_100000698548_100000184422 [0,1,0,0,0,0|2,0,1]=4 648 B15R1.558 NS(=O)(=O)c1ccc(cc1)NCCCO 34a_100000182716_100000230001 [0,1,0,0,0,0|2,0,1]=4 649 B15R1.558 NS(=O)(=O)c1ccc(cc1)OCCCF 34a_100000738502_100011934791 [0,1,0,0,0,0|2,0,1]=4 650 B15R1.558 NS(=O)(=O)c1ccc(cc1)OCCCF 7a_100000738502_100011934791 [0,1,0,0,0,0|2,0,1]=4 651 B15R1.558 NS(=O)(=O)c1ccc(cc1)OCCCO 34a_100000738502_100000230001 [0,1,0,0,0,0|1,0,1]=3 652 B15R1.558 NS(=O)(=O)c1ccc(cc1)OCCCO 7a_100000738502_100011215043 [0,1,0,0,0,0|1,0,1]=3 653 B15R1.558 NS(=O)(=O)c1ccc(cc1)SCCCO 62a_100000701559_100011215043 [0,1,0,0,0,0|1,1,1]=4 654 B15R1.558 NS(=O)(=O)c1ccc(cc1)SCCCO 62a_100011215043_100000164505 [0,1,0,0,0,0|1,1,1]=4 655 B15R1.558 O=S(=O)([O-])c1ccc(cc1)OCCCF 7a_100000698548_100011934791 [0,1,0,0,0,0|2,0,0]=3 656 B15R1.558 O=S(=O)([O-])c1ccc(cc1)OCCCO 7a_100000698548_100011215043 [0,1,0,0,0,0|1,0,0]=2 657 B15R1.558 OCCCOc1ccc(cc1)C(F)(F)F 34a_100000181324_100000230001 [0,1,0,0,0,0|3,0,0]=4 658 B15R1.558 OCCCOc1ccc(cc1)C(F)(F)F 7a_100000181324_100011215043 [0,1,0,0,0,0|3,0,0]=4 659 B15R1.563 C#CCCNc1ccc(cc1C)[N+](=O)[O-] 2230a_100000184110_100000688953 [0,1,0,0,0,0|2,0,1]=4 660 B15R1.563 C#CCCNc1ccc(cc1C)[N+](=O)[O-] 34a_100000184110_100000688953 [0,1,0,0,0,0|2,0,1]=4 661 B15R1.563 C#CCCNc1ccc(cc1C)[N+](=O)[O-] 7a_100000184110_100000688953 [0,1,0,0,0,0|2,0,1]=4 662 B15R1.563 C#CCCNc1ccc(cc1Cl)[N+](=O)[O-] 34a_100000185723_100000688953 [0,1,0,0,0,0|2,0,1]=4 663 B15R1.563 C#CCCNc1ccc(cc1F)[N+](=O)[O-] 34a_100000745739_100000688953 [0,1,0,0,0,0|2,0,1]=4 664 B15R1.563 C#CCCOc1ccc(cc1Br)[N+](=O)[O-] 34a_100000756651_100000688953 [0,1,0,0,0,0|1,0,1]=3 665 B15R1.563 C#CCCOc1ccc(cc1Br)[N+](=O)[O-] 7a_100000756651_100000688953 [0,1,0,0,0,0|1,0,1]=3 666 B15R1.563 C#CCCOc1ccc(cc1C)[N+](=O)[O-] 34a_100000744956_100000688953 [0,1,0,0,0,0|1,0,1]=3 667 B15R1.563 C#CCCOc1ccc(cc1C)[N+](=O)[O-] 7a_100000744956_100000688953 [0,1,0,0,0,0|1,0,1]=3 668 B15R1.563 C#CCCOc1ccc(cc1Cl)[N+](=O)[O-] 34a_100000206008_100000688953 [0,1,0,0,0,0|1,0,1]=3 669 B15R1.563 C#CCCOc1ccc(cc1Cl)[N+](=O)[O-] 7a_100000206008_100000688953 [0,1,0,0,0,0|1,0,1]=3 670 B15R1.563 C#CCCOc1ccc(cc1F)[N+](=O)[O-] 34a_100000739697_100000688953 [0,1,0,0,0,0|1,0,1]=3 671 B15R1.563 C#CCCOc1ccc(cc1F)[N+](=O)[O-] 7a_100000739697_100000688953 [0,1,0,0,0,0|1,0,1]=3 672 B15R1.563 C#CCCOc1ccc(cc1I)[N+](=O)[O-] 34a_100012047213_100000688953 [0,1,0,0,0,0|1,0,1]=3 673 B15R1.563 C#CCCOc1ccc(cc1I)[N+](=O)[O-] 7a_100012047213_100000688953 [0,1,0,0,0,0|1,0,1]=3 674 B15R1.563 C#CCCOc1ccc(cc1N)[N+](=O)[O-] 34a_100000181223_100000688953 [0,1,0,0,0,0|1,0,1]=3 675 B15R1.563 C#CCCOc1ccc(cc1N)[N+](=O)[O-] 7a_100000181223_100000688953 [0,1,0,0,0,0|1,0,1]=3 676 B15R1.563 C#CCCOc1ccc(nc1C)[N+](=O)[O-] 7a_100009862445_100000688953 [0,1,0,0,0,0|2,0,1]=4 677 B15R1.563 C#CCCOc1cnc(cc1C)[N+](=O)[O-] 7a_100015695027_100000688953 [0,1,0,0,0,0|2,0,1]=4 678 B15R1.563 C#CCCOc1ncc(cc1F)[N+](=O)[O-] 34a_100000100219_100000688953 [0,1,0,0,0,0|2,0,1]=4 679 B15R1.563 C/C=C/COc1ccc(cc1Br)[N+](=O)[O-] 34a_100000756651_100102629194 [0,1,0,0,0,0|1,0,2]=4 680 B15R1.563 C/C=C/COc1ccc(cc1Br)[N+](=O)[O-] 7a_100000756651_100102629194 [0,1,0,0,0,0|1,0,2]=4 681 B15R1.563 C/C=C/COc1ccc(cc1C)[N+](=O)[O-] 34a_100000744956_100102629194 [0,1,0,0,0,0|1,0,2]=4 682 B15R1.563 C/C=C/COc1ccc(cc1C)[N+](=O)[O-] 7a_100000744956_100102629194 [0,1,0,0,0,0|1,0,2]=4 683 B15R1.563 C/C=C/COc1ccc(cc1Cl)[N+](=O)[O-] 34a_100000206008_100102629194 [0,1,0,0,0,0|1,0,2]=4 684 B15R1.563 C/C=C/COc1ccc(cc1Cl)[N+](=O)[O-] 7a_100000206008_100102629194 [0,1,0,0,0,0|1,0,2]=4 685 B15R1.563 C/C=C/COc1ccc(cc1F)[N+](=O)[O-] 34a_100000739697_100102629194 [0,1,0,0,0,0|1,0,2]=4 686 B15R1.563 C/C=C/COc1ccc(cc1F)[N+](=O)[O-] 7a_100000739697_100102629194 [0,1,0,0,0,0|1,0,2]=4 687 B15R1.563 C/C=C/COc1ccc(cc1I)[N+](=O)[O-] 34a_100012047213_100102629194 [0,1,0,0,0,0|1,0,2]=4 688 B15R1.563 C/C=C/COc1ccc(cc1I)[N+](=O)[O-] 7a_100012047213_100102629194 [0,1,0,0,0,0|1,0,2]=4 689 B15R1.563 C/C=C/COc1ccc(cc1N)[N+](=O)[O-] 34a_100000181223_100102629194 [0,1,0,0,0,0|1,0,2]=4 690 B15R1.563 C/C=C/COc1ccc(cc1N)[N+](=O)[O-] 7a_100000181223_100102629194 [0,1,0,0,0,0|1,0,2]=4 691 B15R1.563 C=CCCNc1ccc(cc1C)[N+](=O)[O-] 2230a_100000184110_100000754431 [0,1,0,0,0,0|2,0,1]=4 692 B15R1.563 C=CCCNc1ccc(cc1C)[N+](=O)[O-] 34a_100000184110_100000754431 [0,1,0,0,0,0|2,0,1]=4 693 B15R1.563 C=CCCNc1ccc(cc1C)[N+](=O)[O-] 7a_100000184110_100000754431 [0,1,0,0,0,0|2,0,1]=4 694 B15R1.563 C=CCCNc1ccc(cc1Cl)[N+](=O)[O-] 34a_100000185723_100000754431 [0,1,0,0,0,0|2,0,1]=4 695 B15R1.563 C=CCCNc1ccc(cc1F)[N+](=O)[O-] 34a_100000745739_100000754431 [0,1,0,0,0,0|2,0,1]=4 696 B15R1.563 C=CCCOc1ccc(cc1Br)[N+](=O)[O-] 34a_100000756651_100000754431 [0,1,0,0,0,0|1,0,1]=3 697 B15R1.563 C=CCCOc1ccc(cc1Br)[N+](=O)[O-] 7a_100000756651_100000754431 [0,1,0,0,0,0|1,0,1]=3 698 B15R1.563 C=CCCOc1ccc(cc1C)[N+](=O)[O-] 34a_100000744956_100000754431 [0,1,0,0,0,0|1,0,1]=3 699 B15R1.563 C=CCCOc1ccc(cc1C)[N+](=O)[O-] 7a_100000744956_100000754431 [0,1,0,0,0,0|1,0,1]=3 700 B15R1.563 C=CCCOc1ccc(cc1Cl)[N+](=O)[O-] 34a_100000206008_100000754431 [0,1,0,0,0,0|1,0,1]=3 701 B15R1.563 C=CCCOc1ccc(cc1Cl)[N+](=O)[O-] 7a_100000206008_100000754431 [0,1,0,0,0,0|1,0,1]=3 702 B15R1.563 C=CCCOc1ccc(cc1F)[N+](=O)[O-] 34a_100000739697_100000754431 [0,1,0,0,0,0|1,0,1]=3 703 B15R1.563 C=CCCOc1ccc(cc1F)[N+](=O)[O-] 7a_100000739697_100000754431 [0,1,0,0,0,0|1,0,1]=3 704 B15R1.563 C=CCCOc1ccc(cc1I)[N+](=O)[O-] 34a_100012047213_100000754431 [0,1,0,0,0,0|1,0,1]=3 705 B15R1.563 C=CCCOc1ccc(cc1I)[N+](=O)[O-] 7a_100012047213_100000754431 [0,1,0,0,0,0|1,0,1]=3 706 B15R1.563 C=CCCOc1ccc(cc1N)[N+](=O)[O-] 34a_100000181223_100000754431 [0,1,0,0,0,0|1,0,1]=3 707 B15R1.563 C=CCCOc1ccc(cc1N)[N+](=O)[O-] 7a_100000181223_100000754431 [0,1,0,0,0,0|1,0,1]=3 708 B15R1.563 C=CCCOc1ccc(nc1C)[N+](=O)[O-] 7a_100009862445_100000754431 [0,1,0,0,0,0|2,0,1]=4 709 B15R1.563 C=CCCOc1cnc(cc1C)[N+](=O)[O-] 7a_100015695027_100000754431 [0,1,0,0,0,0|2,0,1]=4 710 B15R1.563 C=CCCOc1ncc(cc1F)[N+](=O)[O-] 34a_100000100219_100000754431 [0,1,0,0,0,0|2,0,1]=4 711 B15R1.563 CC#CCOc1ccc(cc1Br)[N+](=O)[O-] 34a_100000756651_100000748600 [0,1,0,0,0,0|1,0,2]=4 712 B15R1.563 CC#CCOc1ccc(cc1Br)[N+](=O)[O-] 7a_100000756651_100000748600 [0,1,0,0,0,0|1,0,2]=4 713 B15R1.563 CC#CCOc1ccc(cc1C)[N+](=O)[O-] 34a_100000744956_100000748600 [0,1,0,0,0,0|1,0,2]=4 714 B15R1.563 CC#CCOc1ccc(cc1C)[N+](=O)[O-] 7a_100000744956_100000748600 [0,1,0,0,0,0|1,0,2]=4 715 B15R1.563 CC#CCOc1ccc(cc1Cl)[N+](=O)[O-] 34a_100000206008_100000748600 [0,1,0,0,0,0|1,0,2]=4 716 B15R1.563 CC#CCOc1ccc(cc1Cl)[N+](=O)[O-] 7a_100000206008_100000748600 [0,1,0,0,0,0|1,0,2]=4 717 B15R1.563 CC#CCOc1ccc(cc1F)[N+](=O)[O-] 34a_100000739697_100000748600 [0,1,0,0,0,0|1,0,2]=4 718 B15R1.563 CC#CCOc1ccc(cc1F)[N+](=O)[O-] 7a_100000739697_100000748600 [0,1,0,0,0,0|1,0,2]=4 719 B15R1.563 CC#CCOc1ccc(cc1I)[N+](=O)[O-] 34a_100012047213_100000748600 [0,1,0,0,0,0|1,0,2]=4 720 B15R1.563 CC#CCOc1ccc(cc1I)[N+](=O)[O-] 7a_100012047213_100000748600 [0,1,0,0,0,0|1,0,2]=4 721 B15R1.563 CC#CCOc1ccc(cc1N)[N+](=O)[O-] 34a_100000181223_100000748600 [0,1,0,0,0,0|1,0,2]=4 722 B15R1.563 CC#CCOc1ccc(cc1N)[N+](=O)[O-] 7a_100000181223_100000748600 [0,1,0,0,0,0|1,0,2]=4 723 B15R1.563 CC(=O)c1ccc(c(c1)Br)OCCCF 34a_100011772453_100011934791 [0,1,0,0,0,0|3,0,0]=4 724 B15R1.563 CC(=O)c1ccc(c(c1)Br)OCCCF 7a_100011772453_100011934791 [0,1,0,0,0,0|3,0,0]=4 725 B15R1.563 CC(=O)c1ccc(c(c1)Br)OCCCO 34a_100011772453_100000230001 [0,1,0,0,0,0|2,0,0]=3 726 B15R1.563 CC(=O)c1ccc(c(c1)Br)OCCCO 7a_100011772453_100011215043 [0,1,0,0,0,0|2,0,0]=3 727 B15R1.563 CC(=O)c1ccc(c(c1)Br)SCCCO 62a_100010146554_100011215043 [0,1,0,0,0,0|2,1,0]=4 728 B15R1.563 CC(=O)c1ccc(c(c1)Br)SCCCO 62a_100011215043_100010146554 [0,1,0,0,0,0|2,1,0]=4 729 B15R1.563 CC(=O)c1ccc(c(c1)C)OCCCF 34a_100000188726_100011934791 [0,1,0,0,0,0|3,0,0]=4 730 B15R1.563 CC(=O)c1ccc(c(c1)C)OCCCF 7a_100000188726_100011934791 [0,1,0,0,0,0|3,0,0]=4 731 B15R1.563 CC(=O)c1ccc(c(c1)C)OCCCO 34a_100000188726_100000230001 [0,1,0,0,0,0|2,0,0]=3 732 B15R1.563 CC(=O)c1ccc(c(c1)C)OCCCO 7a_100000188726_100011215043 [0,1,0,0,0,0|2,0,0]=3 733 B15R1.563 CC(=O)c1ccc(c(c1)C)SCCCO 62a_100000697869_100011215043 [0,1,0,0,0,0|2,1,0]=4 734 B15R1.563 CC(=O)c1ccc(c(c1)C)SCCCO 62a_100011215043_100000697869 [0,1,0,0,0,0|2,1,0]=4 735 B15R1.563 CC(=O)c1ccc(c(c1)Cl)OCCCF 34a_100000188625_100011934791 [0,1,0,0,0,0|3,0,0]=4 736 B15R1.563 CC(=O)c1ccc(c(c1)Cl)OCCCF 7a_100000188625_100011934791 [0,1,0,0,0,0|3,0,0]=4 737 B15R1.563 CC(=O)c1ccc(c(c1)Cl)OCCCO 34a_100000188625_100000230001 [0,1,0,0,0,0|2,0,0]=3 738 B15R1.563 CC(=O)c1ccc(c(c1)Cl)OCCCO 7a_100000188625_100011215043 [0,1,0,0,0,0|2,0,0]=3 739 B15R1.563 CC(=O)c1ccc(c(c1)F)OCCCF 34a_100000751691_100011934791 [0,1,0,0,0,0|3,0,0]=4 740 B15R1.563 CC(=O)c1ccc(c(c1)F)OCCCF 7a_100000751691_100011934791 [0,1,0,0,0,0|3,0,0]=4 741 B15R1.563 CC(=O)c1ccc(c(c1)F)OCCCO 34a_100000751691_100000230001 [0,1,0,0,0,0|2,0,0]=3 742 B15R1.563 CC(=O)c1ccc(c(c1)F)OCCCO 7a_100000751691_100011215043 [0,1,0,0,0,0|2,0,0]=3 743 B15R1.563 CC(=O)c1ccc(c(c1)F)SCCCO 62a_100000690002_100011215043 [0,1,0,0,0,0|2,1,0]=4 744 B15R1.563 CC(=O)c1ccc(c(c1)F)SCCCO 62a_100011215043_100000690002 [0,1,0,0,0,0|2,1,0]=4 745 B15R1.563 CC(=O)c1ccc(c(c1)N)OCCCF 34a_100000117292_100011934791 [0,1,0,0,0,0|3,0,0]=4 746 B15R1.563 CC(=O)c1ccc(c(c1)N)OCCCF 7a_100000117292_100011934791 [0,1,0,0,0,0|3,0,0]=4 747 B15R1.563 CC(=O)c1ccc(c(c1)N)OCCCO 34a_100000117292_100000230001 [0,1,0,0,0,0|2,0,0]=3 748 B15R1.563 CC(=O)c1ccc(c(c1)N)OCCCO 7a_100000117292_100011215043 [0,1,0,0,0,0|2,0,0]=3 749 B15R1.563 CC(=O)c1ccc(c(c1)N)SCCCO 62a_100009816534_100011215043 [0,1,0,0,0,0|2,1,0]=4 750 B15R1.563 CC(C)c1ccc(c(c1)Cl)OCCCO 34a_100012182850_100000230001 [0,1,0,0,0,0|3,0,0]=4 751 B15R1.563 CC(C)c1ccc(c(c1)Cl)OCCCO 7a_100012182850_100011215043 [0,1,0,0,0,0|3,0,0]=4 752 B15R1.563 CC(C)c1ccc(c(c1)N)OCCCO 34a_200000187366_100000230001 [0,1,0,0,0,0|3,0,0]=4 753 B15R1.563 CC(C)c1ccc(c(c1)N)OCCCO 7a_200000187366_100011215043 [0,1,0,0,0,0|3,0,0]=4 754 B15R1.563 CC=CCOc1ccc(cc1Br)[N+](=O)[O-] 34a_100000756651_100000070051 [0,1,0,0,0,0|1,0,2]=4 755 B15R1.563 CC=CCOc1ccc(cc1Br)[N+](=O)[O-] 7a_100000756651_100000070051 [0,1,0,0,0,0|1,0,2]=4 756 B15R1.563 CC=CCOc1ccc(cc1C)[N+](=O)[O-] 34a_100000744956_100000070051 [0,1,0,0,0,0|1,0,2]=4 757 B15R1.563 CC=CCOc1ccc(cc1C)[N+](=O)[O-] 7a_100000744956_100000070051 [0,1,0,0,0,0|1,0,2]=4 758 B15R1.563 CC=CCOc1ccc(cc1Cl)[N+](=O)[O-] 34a_100000206008_100000070051 [0,1,0,0,0,0|1,0,2]=4 759 B15R1.563 CC=CCOc1ccc(cc1Cl)[N+](=O)[O-] 7a_100000206008_100000070051 [0,1,0,0,0,0|1,0,2]=4 760 B15R1.563 CC=CCOc1ccc(cc1F)[N+](=O)[O-] 34a_100000739697_100000070051 [0,1,0,0,0,0|1,0,2]=4 761 B15R1.563 CC=CCOc1ccc(cc1F)[N+](=O)[O-] 7a_100000739697_100000070051 [0,1,0,0,0,0|1,0,2]=4 762 B15R1.563 CC=CCOc1ccc(cc1I)[N+](=O)[O-] 34a_100012047213_100000070051 [0,1,0,0,0,0|1,0,2]=4 763 B15R1.563 CC=CCOc1ccc(cc1I)[N+](=O)[O-] 7a_100012047213_100000070051 [0,1,0,0,0,0|1,0,2]=4 764 B15R1.563 CC=CCOc1ccc(cc1N)[N+](=O)[O-] 34a_100000181223_100000070051 [0,1,0,0,0,0|1,0,2]=4 765 B15R1.563 CC=CCOc1ccc(cc1N)[N+](=O)[O-] 7a_100000181223_100000070051 [0,1,0,0,0,0|1,0,2]=4 766 B15R1.563 CCCCNc1ccc(cc1C)[N+](=O)[O-] 2230a_100000184110_100000210211 [0,1,0,0,0,0|2,0,0]=3 767 B15R1.563 CCCCNc1ccc(cc1C)[N+](=O)[O-] 34a_100000184110_100000210210 [0,1,0,0,0,0|2,0,0]=3 768 B15R1.563 CCCCNc1ccc(cc1C)[N+](=O)[O-] 7a_100000184110_100000210211 [0,1,0,0,0,0|2,0,0]=3 769 B15R1.563 CCCCNc1ccc(cc1Cl)[N+](=O)[O-] 34a_100000185723_100000210210 [0,1,0,0,0,0|2,0,0]=3 770 B15R1.563 CCCCNc1ccc(cc1F)[N+](=O)[O-] 34a_100000745739_100000210210 [0,1,0,0,0,0|2,0,0]=3 771 B15R1.563 CCCCOc1ccc(cc1Br)C(=O)C 34a_100011772453_100000210210 [0,1,0,0,0,0|3,0,0]=4 772 B15R1.563 CCCCOc1ccc(cc1Br)C(=O)C 7a_100011772453_100000210211 [0,1,0,0,0,0|3,0,0]=4 773 B15R1.563 CCCCOc1ccc(cc1Br)[N+](=O)[O-] 34a_100000756651_100000210210 [0,1,0,0,0,0|1,0,0]=2 774 B15R1.563 CCCCOc1ccc(cc1Br)[N+](=O)[O-] 7a_100000756651_100000210211 [0,1,0,0,0,0|1,0,0]=2 775 B15R1.563 CCCCOc1ccc(cc1C)C(=O)C 34a_100000188726_100000210210 [0,1,0,0,0,0|3,0,0]=4 776 B15R1.563 CCCCOc1ccc(cc1C)C(=O)C 7a_100000188726_100000210211 [0,1,0,0,0,0|3,0,0]=4 777 B15R1.563 CCCCOc1ccc(cc1C)[N+](=O)[O-] 34a_100000744956_100000210210 [0,1,0,0,0,0|1,0,0]=2 778 B15R1.563 CCCCOc1ccc(cc1C)[N+](=O)[O-] 7a_100000744956_100000210211 [0,1,0,0,0,0|1,0,0]=2 779 B15R1.563 CCCCOc1ccc(cc1Cl)C(=O)C 34a_100000188625_100000210210 [0,1,0,0,0,0|3,0,0]=4 780 B15R1.563 CCCCOc1ccc(cc1Cl)C(=O)C 7a_100000188625_100000210211 [0,1,0,0,0,0|3,0,0]=4 781 B15R1.563 CCCCOc1ccc(cc1Cl)C(=O)N 34a_200000192832_100000210210 [0,1,0,0,0,0|3,0,0]=4 782 B15R1.563 CCCCOc1ccc(cc1Cl)C(=O)N 7a_200000192832_100000210211 [0,1,0,0,0,0|3,0,0]=4 783 B15R1.563 CCCCOc1ccc(cc1Cl)[N+](=O)[O-] 34a_100000206008_100000210210 [0,1,0,0,0,0|1,0,0]=2 784 B15R1.563 CCCCOc1ccc(cc1Cl)[N+](=O)[O-] 7a_100000206008_100000210211 [0,1,0,0,0,0|1,0,0]=2 785 B15R1.563 CCCCOc1ccc(cc1F)C(=O)C 34a_100000751691_100000210210 [0,1,0,0,0,0|3,0,0]=4 786 B15R1.563 CCCCOc1ccc(cc1F)C(=O)C 7a_100000751691_100000210211 [0,1,0,0,0,0|3,0,0]=4 787 B15R1.563 CCCCOc1ccc(cc1F)[N+](=O)[O-] 34a_100000739697_100000210210 [0,1,0,0,0,0|1,0,0]=2 788 B15R1.563 CCCCOc1ccc(cc1F)[N+](=O)[O-] 7a_100000739697_100000210211 [0,1,0,0,0,0|1,0,0]=2 789 B15R1.563 CCCCOc1ccc(cc1I)[N+](=O)[O-] 34a_100012047213_100000210210 [0,1,0,0,0,0|1,0,0]=2 790 B15R1.563 CCCCOc1ccc(cc1I)[N+](=O)[O-] 7a_100012047213_100000210211 [0,1,0,0,0,0|1,0,0]=2 791 B15R1.563 CCCCOc1ccc(cc1N)C(=O)C 34a_100000117292_100000210210 [0,1,0,0,0,0|3,0,0]=4 792 B15R1.563 CCCCOc1ccc(cc1N)C(=O)C 7a_100000117292_100000210211 [0,1,0,0,0,0|3,0,0]=4 793 B15R1.563 CCCCOc1ccc(cc1N)[N+](=O)[O-] 34a_100000181223_100000210210 [0,1,0,0,0,0|1,0,0]=2 794 B15R1.563 CCCCOc1ccc(cc1N)[N+](=O)[O-] 7a_100000181223_100000210211 [0,1,0,0,0,0|1,0,0]=2 795 B15R1.563 CCCCOc1ccc(nc1C)[N+](=O)[O-] 7a_100009862445_100000210211 [0,1,0,0,0,0|2,0,0]=3 796 B15R1.563 CCCCOc1cnc(cc1C)[N+](=O)[O-] 7a_100015695027_100000210211 [0,1,0,0,0,0|2,0,0]=3 797 B15R1.563 CCCCOc1ncc(cc1F)[N+](=O)[O-] 34a_100000100219_100000210210 [0,1,0,0,0,0|2,0,0]=3 798 B15R1.563 CCCNCc1ccc(cc1Br)[N+](=O)[O-] 270004a_100020643023_100011202981 [0,1,0,0,0,0|3,0,0]=4 799 B15R1.563 CCCNCc1ccc(cc1C)[N+](=O)[O-] 207a_100020643023_100000695237 [0,1,0,0,0,0|3,0,0]=4 800 B15R1.563 CCCNCc1ccc(cc1Cl)[N+](=O)[O-] 270004a_100020643023_100000755334 [0,1,0,0,0,0|3,0,0]=4 801 B15R1.563 CCCNCc1ccc(cc1F)[N+](=O)[O-] 34a_100016989035_100000210303 [0,1,0,0,0,0|3,0,0]=4 802 B15R1.563 CCCOCc1ccc(cc1Br)[N+](=O)[O-] 34a_100000210258_100000741879 [0,1,0,0,0,0|3,0,0]=4 803 B15R1.563 CCCOCc1ccc(cc1C)[N+](=O)[O-] 34a_100000210258_100010218038 [0,1,0,0,0,0|3,0,0]=4 804 B15R1.563 CCCOCc1ccc(cc1C)[N+](=O)[O-] 34a_100009883322_100000210303 [0,1,0,0,0,0|3,0,0]=4 805 B15R1.563 CCCOCc1ccc(cc1C)[N+](=O)[O-] 7a_100009883322_100000210303 [0,1,0,0,0,0|3,0,0]=4 806 B15R1.563 CCCOCc1ccc(cc1Cl)[N+](=O)[O-] 34a_100000210258_100000747184 [0,1,0,0,0,0|3,0,0]=4 807 B15R1.563 CCCOCc1ccc(cc1Cl)[N+](=O)[O-] 34a_100000694850_100000210303 [0,1,0,0,0,0|3,0,0]=4 808 B15R1.563 CCCOCc1ccc(cc1Cl)[N+](=O)[O-] 7a_100000694850_100000210303 [0,1,0,0,0,0|3,0,0]=4 809 B15R1.563 CCCOCc1ccc(cc1F)[N+](=O)[O-] 34a_100000210258_100000759423 [0,1,0,0,0,0|3,0,0]=4 810 B15R1.563 CCCOCc1ccc(cc1F)[N+](=O)[O-] 34a_100012002375_100000210303 [0,1,0,0,0,0|3,0,0]=4 811 B15R1.563 CCCOCc1ccc(cc1F)[N+](=O)[O-] 7a_100012002375_100000210303 [0,1,0,0,0,0|3,0,0]=4 812 B15R1.563 CCCOCc1ccc(cc1I)[N+](=O)[O-] 7a_200010150283_100000210303 [0,1,0,0,0,0|3,0,0]=4 813 B15R1.563 CCCOCc1ccc(cc1N)[N+](=O)[O-] 34a_100011934201_100000210303 [0,1,0,0,0,0|3,0,0]=4 814 B15R1.563 CCCSCc1ccc(cc1Br)[N+](=O)[O-] 62a_100000741879_100000210303 [0,1,0,0,0,0|3,0,0]=4 815 B15R1.563 COCCNc1ccc(cc1C)[N+](=O)[O-] 2230a_100000184110_100011201679 [0,1,0,0,0,0|3,0,0]=4 816 B15R1.563 COCCNc1ccc(cc1C)[N+](=O)[O-] 34a_100000184110_100011201679 [0,1,0,0,0,0|3,0,0]=4 817 B15R1.563 COCCNc1ccc(cc1C)[N+](=O)[O-] 7a_100000184110_100000233755 [0,1,0,0,0,0|3,0,0]=4 818 B15R1.563 COCCNc1ccc(cc1Cl)[N+](=O)[O-] 34a_100000185723_100011201679 [0,1,0,0,0,0|3,0,0]=4 819 B15R1.563 COCCNc1ccc(cc1F)[N+](=O)[O-] 34a_100000745739_100011201679 [0,1,0,0,0,0|3,0,0]=4 820 B15R1.563 COCCNc1ccc(cc1F)[N+](=O)[O-] 34a_200011248818_200000210301 [0,1,0,0,0,0|3,0,0]=4 821 B15R1.563 COCCNc1ccc(cc1F)[N+](=O)[O-] 7a_200011248818_200000210301 [0,1,0,0,0,0|3,0,0]=4 822 B15R1.563 COCCOc1ccc(cc1Br)[N+](=O)[O-] 34a_100000756651_100011201679 [0,1,0,0,0,0|2,0,0]=3 823 B15R1.563 COCCOc1ccc(cc1Br)[N+](=O)[O-] 7a_100000756651_100000233755 [0,1,0,0,0,0|2,0,0]=3 824 B15R1.563 COCCOc1ccc(cc1C)[N+](=O)[O-] 34a_100000744956_100011201679 [0,1,0,0,0,0|2,0,0]=3 825 B15R1.563 COCCOc1ccc(cc1C)[N+](=O)[O-] 7a_100000744956_100000233755 [0,1,0,0,0,0|2,0,0]=3 826 B15R1.563 COCCOc1ccc(cc1Cl)[N+](=O)[O-] 34a_100000206008_100011201679 [0,1,0,0,0,0|2,0,0]=3 827 B15R1.563 COCCOc1ccc(cc1Cl)[N+](=O)[O-] 7a_100000206008_100000233755 [0,1,0,0,0,0|2,0,0]=3 828 B15R1.563 COCCOc1ccc(cc1F)[N+](=O)[O-] 34a_100000739697_100011201679 [0,1,0,0,0,0|2,0,0]=3 829 B15R1.563 COCCOc1ccc(cc1F)[N+](=O)[O-] 7a_100000739697_100000233755 [0,1,0,0,0,0|2,0,0]=3 830 B15R1.563 COCCOc1ccc(cc1I)[N+](=O)[O-] 34a_100012047213_100011201679 [0,1,0,0,0,0|2,0,0]=3 831 B15R1.563 COCCOc1ccc(cc1I)[N+](=O)[O-] 7a_100012047213_100000233755 [0,1,0,0,0,0|2,0,0]=3 832 B15R1.563 COCCOc1ccc(cc1N)[N+](=O)[O-] 34a_100000181223_100011201679 [0,1,0,0,0,0|2,0,0]=3 833 B15R1.563 COCCOc1ccc(cc1N)[N+](=O)[O-] 7a_100000181223_100000233755 [0,1,0,0,0,0|2,0,0]=3 834 B15R1.563 COCCOc1ccc(nc1C)[N+](=O)[O-] 7a_100009862445_100000233755 [0,1,0,0,0,0|3,0,0]=4 835 B15R1.563 COCCOc1cnc(cc1C)[N+](=O)[O-] 7a_100015695027_100000233755 [0,1,0,0,0,0|3,0,0]=4 836 B15R1.563 COCCOc1ncc(cc1F)[N+](=O)[O-] 34a_100000100219_100011201679 [0,1,0,0,0,0|3,0,0]=4 837 B15R1.563 CSCCNc1ccc(cc1C)[N+](=O)[O-] 2230a_100000184110_100000751147 [0,1,0,0,0,0|3,0,0]=4 838 B15R1.563 CSCCNc1ccc(cc1C)[N+](=O)[O-] 34a_100000184110_100000212216 [0,1,0,0,0,0|3,0,0]=4 839 B15R1.563 CSCCNc1ccc(cc1C)[N+](=O)[O-] 7a_100000184110_100000212216 [0,1,0,0,0,0|3,0,0]=4 840 B15R1.563 CSCCNc1ccc(cc1Cl)[N+](=O)[O-] 34a_100000185723_100000212216 [0,1,0,0,0,0|3,0,0]=4 841 B15R1.563 CSCCNc1ccc(cc1F)[N+](=O)[O-] 34a_100000745739_100000212216 [0,1,0,0,0,0|3,0,0]=4 842 B15R1.563 CSCCOc1ccc(cc1Br)[N+](=O)[O-] 34a_100000756651_100000212216 [0,1,0,0,0,0|2,0,0]=3 843 B15R1.563 CSCCOc1ccc(cc1Br)[N+](=O)[O-] 7a_100000756651_100000212216 [0,1,0,0,0,0|2,0,0]=3 844 B15R1.563 CSCCOc1ccc(cc1C)[N+](=O)[O-] 34a_100000744956_100000212216 [0,1,0,0,0,0|2,0,0]=3 845 B15R1.563 CSCCOc1ccc(cc1C)[N+](=O)[O-] 7a_100000744956_100000212216 [0,1,0,0,0,0|2,0,0]=3 846 B15R1.563 CSCCOc1ccc(cc1Cl)[N+](=O)[O-] 34a_100000206008_100000212216 [0,1,0,0,0,0|2,0,0]=3 847 B15R1.563 CSCCOc1ccc(cc1Cl)[N+](=O)[O-] 7a_100000206008_100000212216 [0,1,0,0,0,0|2,0,0]=3 848 B15R1.563 CSCCOc1ccc(cc1F)[N+](=O)[O-] 34a_100000739697_100000212216 [0,1,0,0,0,0|2,0,0]=3 849 B15R1.563 CSCCOc1ccc(cc1F)[N+](=O)[O-] 7a_100000739697_100000212216 [0,1,0,0,0,0|2,0,0]=3 850 B15R1.563 CSCCOc1ccc(cc1I)[N+](=O)[O-] 34a_100012047213_100000212216 [0,1,0,0,0,0|2,0,0]=3 851 B15R1.563 CSCCOc1ccc(cc1I)[N+](=O)[O-] 7a_100012047213_100000212216 [0,1,0,0,0,0|2,0,0]=3 852 B15R1.563 CSCCOc1ccc(cc1N)[N+](=O)[O-] 34a_100000181223_100000212216 [0,1,0,0,0,0|2,0,0]=3 853 B15R1.563 CSCCOc1ccc(cc1N)[N+](=O)[O-] 7a_100000181223_100000212216 [0,1,0,0,0,0|2,0,0]=3 854 B15R1.563 CSCCOc1ccc(nc1C)[N+](=O)[O-] 7a_100009862445_100000212216 [0,1,0,0,0,0|3,0,0]=4 855 B15R1.563 CSCCOc1cnc(cc1C)[N+](=O)[O-] 7a_100015695027_100000212216 [0,1,0,0,0,0|3,0,0]=4 856 B15R1.563 CSCCOc1ncc(cc1F)[N+](=O)[O-] 34a_100000100219_100000212216 [0,1,0,0,0,0|3,0,0]=4 857 B15R1.563 Cc1cc(ccc1CNCCF)[N+](=O)[O-] 34a_100000724931_100010218038 [0,1,0,0,0,0|3,0,0]=4 858 B15R1.563 Cc1cc(ccc1CNCCO)[N+](=O)[O-] 207a_100000210304_100000695237 [0,1,0,0,0,0|2,0,0]=3 859 B15R1.563 Cc1cc(ccc1CNCCO)[N+](=O)[O-] 2230a_100016997473_100010218038 [0,1,0,0,0,0|2,0,0]=3 860 B15R1.563 Cc1cc(ccc1CNCCO)[N+](=O)[O-] 34a_100016990907_100010218038 [0,1,0,0,0,0|2,0,0]=3 861 B15R1.563 Cc1cc(ccc1COCCBr)[N+](=O)[O-] 34a_100000211926_100010218038 [0,1,0,0,0,0|3,0,0]=4 862 B15R1.563 Cc1cc(ccc1COCCF)[N+](=O)[O-] 34a_100009883322_100011217306 [0,1,0,0,0,0|3,0,0]=4 863 B15R1.563 Cc1cc(ccc1COCCF)[N+](=O)[O-] 7a_100009883322_100011217306 [0,1,0,0,0,0|3,0,0]=4 864 B15R1.563 Cc1cc(ccc1COCCN)[N+](=O)[O-] 34a_100000210304_100010218038 [0,1,0,0,0,0|3,0,0]=4 865 B15R1.563 Cc1cc(ccc1COCCO)[N+](=O)[O-] 34a_100009883322_100000211926 [0,1,0,0,0,0|2,0,0]=3 866 B15R1.563 Cc1cc(ccc1COCCO)[N+](=O)[O-] 7a_100009883322_100000211926 [0,1,0,0,0,0|2,0,0]=3 867 B15R1.563 Cc1cc(ccc1NCCC#N)[N+](=O)[O-] 2230a_100000184110_100011215226 [0,1,0,0,0,0|2,0,1]=4 868 B15R1.563 Cc1cc(ccc1NCCC#N)[N+](=O)[O-] 7a_100000184110_100000184422 [0,1,0,0,0,0|2,0,1]=4 869 B15R1.563 Cc1cc(ccc1NCCCF)[N+](=O)[O-] 2230a_100000184110_100011934791 [0,1,0,0,0,0|2,0,0]=3 870 B15R1.563 Cc1cc(ccc1NCCCF)[N+](=O)[O-] 34a_100000184110_100011934791 [0,1,0,0,0,0|2,0,0]=3 871 B15R1.563 Cc1cc(ccc1NCCCF)[N+](=O)[O-] 7a_100000184110_100011934791 [0,1,0,0,0,0|2,0,0]=3 872 B15R1.563 Cc1cc(ccc1NCCCO)C(=O)N 27a_100000182051_100011218126 [0,1,0,0,0,0|3,0,0]=4 873 B15R1.563 Cc1cc(ccc1NCCCO)C(=O)N 34a_100000746439_100000230001 [0,1,0,0,0,0|3,0,0]=4 874 B15R1.563 Cc1cc(ccc1NCCCO)C(=O)N 7a_100000746439_100011215043 [0,1,0,0,0,0|3,0,0]=4 875 B15R1.563 Cc1cc(ccc1NCCCO)[N+](=O)[O-] 2230a_100000184110_100000230001 [0,1,0,0,0,0|1,0,0]=2 876 B15R1.563 Cc1cc(ccc1NCCCO)[N+](=O)[O-] 34a_100000184110_100000230001 [0,1,0,0,0,0|1,0,0]=2 877 B15R1.563 Cc1cc(ccc1NCCCO)[N+](=O)[O-] 7a_100000184110_100011215043 [0,1,0,0,0,0|1,0,0]=2 878 B15R1.563 Cc1cc(ccc1OCCC#N)[N+](=O)[O-] 7a_100000744956_100000184422 [0,1,0,0,0,0|1,0,1]=3 879 B15R1.563 Cc1cc(ccc1OCCCF)[N+](=O)[O-] 34a_100000744956_100011934791 [0,1,0,0,0,0|1,0,0]=2 880 B15R1.563 Cc1cc(ccc1OCCCF)[N+](=O)[O-] 7a_100000744956_100011934791 [0,1,0,0,0,0|1,0,0]=2 881 B15R1.563 Cc1cc(ccc1OCCCO)C(C)C 34a_200012180908_100000230001 [0,1,0,0,0,0|3,0,0]=4 882 B15R1.563 Cc1cc(ccc1OCCCO)C(C)C 7a_200012180908_100011215043 [0,1,0,0,0,0|3,0,0]=4 883 B15R1.563 Cc1cc(ccc1OCCCO)[N+](=O)[O-] 34a_100000744956_100000230001 [0,1,0,0,0,0|0,0,0]=1 884 B15R1.563 Cc1cc(ccc1OCCCO)[N+](=O)[O-] 7a_100000744956_100011215043 [0,1,0,0,0,0|0,0,0]=1 885 B15R1.563 Cc1cc(ccc1SCCCO)C(=O)N 62a_100011215043_100011218126 [0,1,0,0,0,0|2,1,0]=4 886 B15R1.563 Cc1cc(ccc1SCCCO)C(=O)N 62a_100011218126_100011215043 [0,1,0,0,0,0|2,1,0]=4 887 B15R1.563 Cc1cc(ncc1OCCC#N)[N+](=O)[O-] 7a_100015695027_100000184422 [0,1,0,0,0,0|2,0,1]=4 888 B15R1.563 Cc1cc(ncc1OCCCF)[N+](=O)[O-] 7a_100015695027_100011934791 [0,1,0,0,0,0|2,0,0]=3 889 B15R1.563 Cc1cc(ncc1OCCCO)[N+](=O)[O-] 7a_100015695027_100011215043 [0,1,0,0,0,0|1,0,0]=2 890 B15R1.563 Cc1nc(ccc1OCCC#N)[N+](=O)[O-] 7a_100009862445_100000184422 [0,1,0,0,0,0|2,0,1]=4 891 B15R1.563 Cc1nc(ccc1OCCCF)[N+](=O)[O-] 7a_100009862445_100011934791 [0,1,0,0,0,0|2,0,0]=3 892 B15R1.563 Cc1nc(ccc1OCCCO)[N+](=O)[O-] 7a_100009862445_100011215043 [0,1,0,0,0,0|1,0,0]=2 893 B15R1.563 N#CCCOc1ccc(cc1Br)[N+](=O)[O-] 7a_100000756651_100000184422 [0,1,0,0,0,0|1,0,1]=3 894 B15R1.563 N#CCCOc1ccc(cc1Cl)[N+](=O)[O-] 7a_100000206008_100000184422 [0,1,0,0,0,0|1,0,1]=3 895 B15R1.563 N#CCCOc1ccc(cc1F)[N+](=O)[O-] 7a_100000739697_100000184422 [0,1,0,0,0,0|1,0,1]=3 896 B15R1.563 N#CCCOc1ccc(cc1I)[N+](=O)[O-] 7a_100012047213_100000184422 [0,1,0,0,0,0|1,0,1]=3 897 B15R1.563 N#CCCOc1ccc(cc1N)[N+](=O)[O-] 7a_100000181223_100000184422 [0,1,0,0,0,0|1,0,1]=3 898 B15R1.563 NC(=O)c1ccc(c(c1)Br)NCCCO 27a_100000182051_100009814583 [0,1,0,0,0,0|3,0,0]=4 899 B15R1.563 NC(=O)c1ccc(c(c1)Br)SCCCO 62a_100009814583_100011215043 [0,1,0,0,0,0|2,1,0]=4 900 B15R1.563 NC(=O)c1ccc(c(c1)Br)SCCCO 62a_100011215043_100009814583 [0,1,0,0,0,0|2,1,0]=4 901 B15R1.563 NC(=O)c1ccc(c(c1)Cl)OCCCF 34a_200000192832_100011934791 [0,1,0,0,0,0|3,0,0]=4 902 B15R1.563 NC(=O)c1ccc(c(c1)Cl)OCCCF 7a_200000192832_100011934791 [0,1,0,0,0,0|3,0,0]=4 903 B15R1.563 NC(=O)c1ccc(c(c1)Cl)OCCCO 34a_200000192832_100000230001 [0,1,0,0,0,0|2,0,0]=3 904 B15R1.563 NC(=O)c1ccc(c(c1)Cl)OCCCO 7a_200000192832_100011215043 [0,1,0,0,0,0|2,0,0]=3 905 B15R1.563 NC(=O)c1ccc(c(c1)F)NCCCO 27a_100000182051_100000686215 [0,1,0,0,0,0|3,0,0]=4 906 B15R1.563 NC(=O)c1ccc(c(c1)F)SCCCO 62a_100000686215_100011215043 [0,1,0,0,0,0|2,1,0]=4 907 B15R1.563 NC(=O)c1ccc(c(c1)F)SCCCO 62a_100011215043_100000686215 [0,1,0,0,0,0|2,1,0]=4 908 B15R1.563 NC(=O)c1ccc(c(c1)O)SCCCO 62a_100011215043_100012344895 [0,1,0,0,0,0|2,1,0]=4 909 B15R1.563 NC(=O)c1ccc(c(c1)O)SCCCO 62a_100012344895_100011215043 [0,1,0,0,0,0|2,1,0]=4 910 B15R1.563 NCCOCc1ccc(cc1Br)[N+](=O)[O-] 34a_100000210304_100000741879 [0,1,0,0,0,0|3,0,0]=4 911 B15R1.563 NCCOCc1ccc(cc1Cl)[N+](=O)[O-] 34a_100000210304_100000747184 [0,1,0,0,0,0|3,0,0]=4 912 B15R1.563 NCCOCc1ccc(cc1F)[N+](=O)[O-] 34a_100000210304_100000759423 [0,1,0,0,0,0|3,0,0]=4 913 B15R1.563 Nc1cc(ccc1COCCF)[N+](=O)[O-] 34a_100011934201_100011217306 [0,1,0,0,0,0|3,0,0]=4 914 B15R1.563 Nc1cc(ccc1COCCO)[N+](=O)[O-] 34a_100011934201_100000211926 [0,1,0,0,0,0|2,0,0]=3 915 B15R1.563 Nc1cc(ccc1OCCCF)[N+](=O)[O-] 34a_100000181223_100011934791 [0,1,0,0,0,0|1,0,0]=2 916 B15R1.563 Nc1cc(ccc1OCCCF)[N+](=O)[O-] 7a_100000181223_100011934791 [0,1,0,0,0,0|1,0,0]=2 917 B15R1.563 Nc1cc(ccc1OCCCO)[N+](=O)[O-] 34a_100000181223_100000230001 [0,1,0,0,0,0|0,0,0]=1 918 B15R1.563 Nc1cc(ccc1OCCCO)[N+](=O)[O-] 7a_100000181223_100011215043 [0,1,0,0,0,0|0,0,0]=1 919 B15R1.563 O=[N+]([O-])c1ccc(c(c1)Br)CNCCF 34a_100000724931_100000741879 [0,1,0,0,0,0|3,0,0]=4 920 B15R1.563 O=[N+]([O-])c1ccc(c(c1)Br)CNCCO 2230a_100016997473_100000741879 [0,1,0,0,0,0|2,0,0]=3 921 B15R1.563 O=[N+]([O-])c1ccc(c(c1)Br)CNCCO 270004a_100000210304_100011202981 [0,1,0,0,0,0|2,0,0]=3 922 B15R1.563 O=[N+]([O-])c1ccc(c(c1)Br)CNCCO 34a_100016990907_100000741879 [0,1,0,0,0,0|2,0,0]=3 923 B15R1.563 O=[N+]([O-])c1ccc(c(c1)Br)COCCBr 34a_100000211926_100000741879 [0,1,0,0,0,0|3,0,0]=4 924 B15R1.563 O=[N+]([O-])c1ccc(c(c1)Br)CSCCF 62a_100000741879_100011217306 [0,1,0,0,0,0|3,0,0]=4 925 B15R1.563 O=[N+]([O-])c1ccc(c(c1)Br)CSCCO 62a_100000741879_100000211926 [0,1,0,0,0,0|2,0,0]=3 926 B15R1.563 O=[N+]([O-])c1ccc(c(c1)Br)OCCCF 34a_100000756651_100011934791 [0,1,0,0,0,0|1,0,0]=2 927 B15R1.563 O=[N+]([O-])c1ccc(c(c1)Br)OCCCF 7a_100000756651_100011934791 [0,1,0,0,0,0|1,0,0]=2 928 B15R1.563 O=[N+]([O-])c1ccc(c(c1)Br)OCCCO 34a_100000756651_100000230001 [0,1,0,0,0,0|0,0,0]=1 929 B15R1.563 O=[N+]([O-])c1ccc(c(c1)Br)OCCCO 7a_100000756651_100011215043 [0,1,0,0,0,0|0,0,0]=1 930 B15R1.563 O=[N+]([O-])c1ccc(c(c1)Cl)CNCCF 34a_100000724931_100000747184 [0,1,0,0,0,0|3,0,0]=4 931 B15R1.563 O=[N+]([O-])c1ccc(c(c1)Cl)CNCCO 2230a_100016997473_100000747184 [0,1,0,0,0,0|2,0,0]=3 932 B15R1.563 O=[N+]([O-])c1ccc(c(c1)Cl)CNCCO 270004a_100000210304_100000755334 [0,1,0,0,0,0|2,0,0]=3 933 B15R1.563 O=[N+]([O-])c1ccc(c(c1)Cl)CNCCO 34a_100016990907_100000747184 [0,1,0,0,0,0|2,0,0]=3 934 B15R1.563 O=[N+]([O-])c1ccc(c(c1)Cl)COCCBr 34a_100000211926_100000747184 [0,1,0,0,0,0|3,0,0]=4 935 B15R1.563 O=[N+]([O-])c1ccc(c(c1)Cl)COCCF 34a_100000694850_100011217306 [0,1,0,0,0,0|3,0,0]=4 936 B15R1.563 O=[N+]([O-])c1ccc(c(c1)Cl)COCCF 7a_100000694850_100011217306 [0,1,0,0,0,0|3,0,0]=4 937 B15R1.563 O=[N+]([O-])c1ccc(c(c1)Cl)COCCO 34a_100000694850_100000211926 [0,1,0,0,0,0|2,0,0]=3 938 B15R1.563 O=[N+]([O-])c1ccc(c(c1)Cl)COCCO 7a_100000694850_100000211926 [0,1,0,0,0,0|2,0,0]=3 939 B15R1.563 O=[N+]([O-])c1ccc(c(c1)Cl)NCCCF 34a_100000185723_100011934791 [0,1,0,0,0,0|2,0,0]=3 940 B15R1.563 O=[N+]([O-])c1ccc(c(c1)Cl)NCCCO 34a_100000185723_100000230001 [0,1,0,0,0,0|1,0,0]=2 941 B15R1.563 O=[N+]([O-])c1ccc(c(c1)Cl)OCCCF 34a_100000206008_100011934791 [0,1,0,0,0,0|1,0,0]=2 942 B15R1.563 O=[N+]([O-])c1ccc(c(c1)Cl)OCCCF 7a_100000206008_100011934791 [0,1,0,0,0,0|1,0,0]=2 943 B15R1.563 O=[N+]([O-])c1ccc(c(c1)Cl)OCCCO 34a_100000206008_100000230001 [0,1,0,0,0,0|0,0,0]=1 944 B15R1.563 O=[N+]([O-])c1ccc(c(c1)Cl)OCCCO 7a_100000206008_100011215043 [0,1,0,0,0,0|0,0,0]=1 945 B15R1.563 O=[N+]([O-])c1ccc(c(c1)F)CNCCF 34a_100000724931_100000759423 [0,1,0,0,0,0|3,0,0]=4 946 B15R1.563 O=[N+]([O-])c1ccc(c(c1)F)CNCCF 34a_100016989035_100011217306 [0,1,0,0,0,0|3,0,0]=4 947 B15R1.563 O=[N+]([O-])c1ccc(c(c1)F)CNCCO 2230a_100016997473_100000759423 [0,1,0,0,0,0|2,0,0]=3 948 B15R1.563 O=[N+]([O-])c1ccc(c(c1)F)CNCCO 34a_100016989035_100000211926 [0,1,0,0,0,0|2,0,0]=3 949 B15R1.563 O=[N+]([O-])c1ccc(c(c1)F)CNCCO 34a_100016990907_100000759423 [0,1,0,0,0,0|2,0,0]=3 950 B15R1.563 O=[N+]([O-])c1ccc(c(c1)F)COCCBr 34a_100000211926_100000759423 [0,1,0,0,0,0|3,0,0]=4 951 B15R1.563 O=[N+]([O-])c1ccc(c(c1)F)COCCF 34a_100012002375_100011217306 [0,1,0,0,0,0|3,0,0]=4 952 B15R1.563 O=[N+]([O-])c1ccc(c(c1)F)COCCF 7a_100012002375_100011217306 [0,1,0,0,0,0|3,0,0]=4 953 B15R1.563 O=[N+]([O-])c1ccc(c(c1)F)COCCO 34a_100012002375_100000211926 [0,1,0,0,0,0|2,0,0]=3 954 B15R1.563 O=[N+]([O-])c1ccc(c(c1)F)COCCO 7a_100012002375_100000211926 [0,1,0,0,0,0|2,0,0]=3 955 B15R1.563 O=[N+]([O-])c1ccc(c(c1)F)NCCCF 34a_100000745739_100011934791 [0,1,0,0,0,0|2,0,0]=3 956 B15R1.563 O=[N+]([O-])c1ccc(c(c1)F)NCCCO 34a_100000745739_100000230001 [0,1,0,0,0,0|1,0,0]=2 957 B15R1.563 O=[N+]([O-])c1ccc(c(c1)F)OCCCF 34a_100000739697_100011934791 [0,1,0,0,0,0|1,0,0]=2 958 B15R1.563 O=[N+]([O-])c1ccc(c(c1)F)OCCCF 7a_100000739697_100011934791 [0,1,0,0,0,0|1,0,0]=2 959 B15R1.563 O=[N+]([O-])c1ccc(c(c1)F)OCCCO 34a_100000739697_100000230001 [0,1,0,0,0,0|0,0,0]=1 960 B15R1.563 O=[N+]([O-])c1ccc(c(c1)F)OCCCO 7a_100000739697_100011215043 [0,1,0,0,0,0|0,0,0]=1 961 B15R1.563 O=[N+]([O-])c1ccc(c(c1)I)COCCF 7a_200010150283_100011217306 [0,1,0,0,0,0|3,0,0]=4 962 B15R1.563 O=[N+]([O-])c1ccc(c(c1)I)COCCO 7a_200010150283_100000211926 [0,1,0,0,0,0|2,0,0]=3 963 B15R1.563 O=[N+]([O-])c1ccc(c(c1)I)OCCCF 34a_100012047213_100011934791 [0,1,0,0,0,0|1,0,0]=2 964 B15R1.563 O=[N+]([O-])c1ccc(c(c1)I)OCCCF 7a_100012047213_100011934791 [0,1,0,0,0,0|1,0,0]=2 965 B15R1.563 O=[N+]([O-])c1ccc(c(c1)I)OCCCO 34a_100012047213_100000230001 [0,1,0,0,0,0|0,0,0]=1 966 B15R1.563 O=[N+]([O-])c1ccc(c(c1)I)OCCCO 7a_100012047213_100011215043 [0,1,0,0,0,0|0,0,0]=1 967 B15R1.563 O=[N+]([O-])c1cnc(c(c1)F)OCCCF 34a_100000100219_100011934791 [0,1,0,0,0,0|2,0,0]=3 968 B15R1.563 O=[N+]([O-])c1cnc(c(c1)F)OCCCO 34a_100000100219_100000230001 [0,1,0,0,0,0|1,0,0]=2 969 B15R1.563 [13CH3]OCCNc1ccc(cc1F)[N+](=O)[O-] 34a_200011248818_200025704644 [0,1,0,0,0,0|3,0,0]=4 970 B15R1.563 [13CH3]OCCNc1ccc(cc1F)[N+](=O)[O-] 7a_200011248818_200025704644 [0,1,0,0,0,0|3,0,0]=4 971 B15R1.956 C=C(C#N)COc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_100000694840 [0,1,0,0,0,0|1,0,2]=4 972 B15R1.956 C=C(C)c1ccc(cc1)OCC(O)CO 34a_100009880102_100011219619 [0,1,0,0,0,0|3,0,0]=4 973 B15R1.956 C=C(C)c1ccc(cc1)OCC(O)CO 7a_100009880102_100011219619 [0,1,0,0,0,0|3,0,0]=4 974 B15R1.956 C=C(C)c1ccc(cc1)OC[C@@H](C)CO 34a_100009880102_100000059175 [0,1,0,0,0,0|3,0,0]=4 975 B15R1.956 C=C(C)c1ccc(cc1)OC[C@@H](C)CO 7a_100009880102_100000059175 [0,1,0,0,0,0|3,0,0]=4 976 B15R1.956 C=C(C)c1ccc(cc1)OC[C@@H](O)CO 34a_100009880102_100009815848 [0,1,0,0,0,0|3,0,0]=4 977 B15R1.956 C=C(C)c1ccc(cc1)OC[C@@H](O)CO 7a_100009880102_100009815848 [0,1,0,0,0,0|3,0,0]=4 978 B15R1.956 C=CC(O)CNc1ccc(cc1)[N+](=O)[O-] 2230a_100015195142_100000730141 [0,1,0,0,0,0|2,0,1]=4 979 B15R1.956 C=CC(O)CNc1ccc(cc1)[N+](=O)[O-] 34a_100015195142_100000730141 [0,1,0,0,0,0|2,0,1]=4 980 B15R1.956 C=CC(O)COc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_100000730141 [0,1,0,0,0,0|1,0,1]=3 981 B15R1.956 C=CC(O)COc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_100000730141 [0,1,0,0,0,0|1,0,1]=3 982 B15R1.956 C=CC(O)COc1ccc(nc1)[N+](=O)[O-] 7a_100000060138_100000730141 [0,1,0,0,0,0|2,0,1]=4 983 B15R1.956 CC(=NNc1ccc(cc1)[N+](=O)[O-])CO 4a_100000006255_100000211253 [0,1,0,0,0,0|2,0,1]=4 984 B15R1.956 CC(=O)c1ccc(cc1)OCC(O)CO 34a_100000185113_100011219619 [0,1,0,0,0,0|2,0,0]=3 985 B15R1.956 CC(=O)c1ccc(cc1)OCC(O)CO 7a_100000185113_100011219619 [0,1,0,0,0,0|2,0,0]=3 986 B15R1.956 CC(=O)c1ccc(cc1)OC[C@@H](C)CO 34a_100000185113_100000059175 [0,1,0,0,0,0|2,0,0]=3 987 B15R1.956 CC(=O)c1ccc(cc1)OC[C@@H](C)CO 7a_100000185113_100000059175 [0,1,0,0,0,0|2,0,0]=3 988 B15R1.956 CC(=O)c1ccc(cc1)OC[C@@H](O)CF 34a_100000185113_100015614560 [0,1,0,0,0,0|3,0,0]=4 989 B15R1.956 CC(=O)c1ccc(cc1)OC[C@@H](O)CF 7a_100000185113_100015614560 [0,1,0,0,0,0|3,0,0]=4 990 B15R1.956 CC(=O)c1ccc(cc1)OC[C@@H](O)CO 34a_100000185113_100009815848 [0,1,0,0,0,0|2,0,0]=3 991 B15R1.956 CC(=O)c1ccc(cc1)OC[C@@H](O)CO 7a_100000185113_100009815848 [0,1,0,0,0,0|2,0,0]=3 992 B15R1.956 CC(=O)c1ccc(cc1)SCC(O)CO 62a_100000185465_100011219619 [0,1,0,0,0,0|2,1,0]=4 993 B15R1.956 CC(=O)c1ccc(cc1)SCC(O)CO 62a_100011219619_100000185465 [0,1,0,0,0,0|2,1,0]=4 994 B15R1.956 CC(=O)c1ccc(cc1)SC[C@@H](C)CO 62a_100000059175_100000185465 [0,1,0,0,0,0|2,1,0]=4 995 B15R1.956 CC(=O)c1ccc(cc1)SC[C@@H](C)CO 62a_100000185465_100000059175 [0,1,0,0,0,0|2,1,0]=4 996 B15R1.956 CC(=O)c1ccc(cc1)SC[C@@H](O)CO 62a_100000185465_100009815848 [0,1,0,0,0,0|2,1,0]=4 997 B15R1.956 CC(=O)c1ccc(cc1)SC[C@@H](O)CO 62a_100009815848_100000185465 [0,1,0,0,0,0|2,1,0]=4 998 B15R1.956 CC(=O)c1ccc(cn1)OCC(O)CO 34a_100012001710_100011219619 [0,1,0,0,0,0|3,0,0]=4 999 B15R1.956 CC(=O)c1ccc(cn1)OCC(O)CO 7a_100012001710_100011219619 [0,1,0,0,0,0|3,0,0]=4 1000 B15R1.956 CC(=O)c1ccc(cn1)OC[C@@H](C)CO 34a_100012001710_100000059175 [0,1,0,0,0,0|3,0,0]=4 1001 B15R1.956 CC(=O)c1ccc(cn1)OC[C@@H](C)CO 7a_100012001710_100000059175 [0,1,0,0,0,0|3,0,0]=4 1002 B15R1.956 CC(=O)c1ccc(cn1)OC[C@@H](O)CO 34a_100012001710_100009815848 [0,1,0,0,0,0|3,0,0]=4 1003 B15R1.956 CC(=O)c1ccc(cn1)OC[C@@H](O)CO 7a_100012001710_100009815848 [0,1,0,0,0,0|3,0,0]=4 1004 B15R1.956 CC(C)c1ccc(cc1)OCC(O)CO 34a_100000181308_100011219619 [0,1,0,0,0,0|3,0,0]=4 1005 B15R1.956 CC(C)c1ccc(cc1)OCC(O)CO 7a_100000181308_100011219619 [0,1,0,0,0,0|3,0,0]=4 1006 B15R1.956 CC(C)c1ccc(cc1)OC[C@@H](C)CO 34a_100000181308_100000059175 [0,1,0,0,0,0|3,0,0]=4 1007 B15R1.956 CC(C)c1ccc(cc1)OC[C@@H](C)CO 7a_100000181308_100000059175 [0,1,0,0,0,0|3,0,0]=4 1008 B15R1.956 CC(C)c1ccc(cc1)OC[C@@H](O)CO 34a_100000181308_100009815848 [0,1,0,0,0,0|3,0,0]=4 1009 B15R1.956 CC(C)c1ccc(cc1)OC[C@@H](O)CO 7a_100000181308_100009815848 [0,1,0,0,0,0|3,0,0]=4 1010 B15R1.956 CC(CCc1ccc(cc1)[N+](=O)[O-])O[13CH3] 34a_200011539411_200025704644 [0,1,0,0,0,0|3,0,0]=4 1011 B15R1.956 CC(CCc1ccc(cc1)[N+](=O)[O-])O[13CH3] 7a_200011539411_200025704644 [0,1,0,0,0,0|3,0,0]=4 1012 B15R1.956 CC(CF)OCc1ccc(cc1)[N+](=O)[O-] 34a_100016041109_100000181861 [0,1,0,0,0,0|3,0,0]=4 1013 B15R1.956 CC(CF)OCc1ccc(cc1)[N+](=O)[O-] 7a_100016041109_100000181861 [0,1,0,0,0,0|3,0,0]=4 1014 B15R1.956 CC(CN)OCc1ccc(cc1)[N+](=O)[O-] 34a_100000210904_100000181861 [0,1,0,0,0,0|3,0,0]=4 1015 B15R1.956 CC(CO)CNc1ccc(cc1)C(=O)N 27a_100000744482_100000162191 [0,1,0,0,0,0|3,0,0]=4 1016 B15R1.956 CC(CO)NCc1ccc(cc1)[N+](=O)[O-] 2230a_100000742766_100012180447 [0,1,0,0,0,0|2,0,0]=3 1017 B15R1.956 CC(CO)NCc1ccc(cc1)[N+](=O)[O-] 34a_100000742766_100012180447 [0,1,0,0,0,0|2,0,0]=3 1018 B15R1.956 CC(CO)OCc1ccc(cc1)[N+](=O)[O-] 34a_100000211695_100012180447 [0,1,0,0,0,0|2,0,0]=3 1019 B15R1.956 CC(CO)SCc1ccc(cc1)[N+](=O)[O-] 62a_100012180447_100000184243 [0,1,0,0,0,0|2,0,0]=3 1020 B15R1.956 CC(O)c1ccc(cc1)OCC(O)CO 34a_100000754508_100011219619 [0,1,0,0,0,0|2,0,1]=4 1021 B15R1.956 CC(O)c1ccc(cc1)OCC(O)CO 7a_100000754508_100011219619 [0,1,0,0,0,0|2,0,1]=4 1022 B15R1.956 CC(O)c1ccc(cc1)OC[C@@H](C)CO 34a_100000754508_100000059175 [0,1,0,0,0,0|2,0,1]=4 1023 B15R1.956 CC(O)c1ccc(cc1)OC[C@@H](C)CO 7a_100000754508_100000059175 [0,1,0,0,0,0|2,0,1]=4 1024 B15R1.956 CC(O)c1ccc(cc1)OC[C@@H](O)CO 34a_100000754508_100009815848 [0,1,0,0,0,0|2,0,1]=4 1025 B15R1.956 CC(O)c1ccc(cc1)OC[C@@H](O)CO 7a_100000754508_100009815848 [0,1,0,0,0,0|2,0,1]=4 1026 B15R1.956 CCC(=O)CCc1ccc(cc1)[N+](=O)[O-] 1458a_100000210414_100000736421 [0,1,0,0,0,0|2,0,1]=4 1027 B15R1.956 CCC(=O)CCc1ccc(cc1)[N+](=O)[O-] 1458a_100000741710_100000210202 [0,1,0,0,0,0|2,0,1]=4 1028 B15R1.956 CCC(=O)COc1ccc(cc1)[N+](=O)[O-] 1458a_100000181393_100000210202 [0,1,0,0,0,0|1,0,1]=3 1029 B15R1.956 CCC(=O)COc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_100000747405 [0,1,0,0,0,0|1,0,1]=3 1030 B15R1.956 CCC(=O)COc1ccc(nc1)[N+](=O)[O-] 7a_100000060138_100000747405 [0,1,0,0,0,0|2,0,1]=4 1031 B15R1.956 CCC(=O)CSc1ccc(cc1)[N+](=O)[O-] 1458a_100000156286_100000210202 [0,1,0,0,0,0|1,1,1]=4 1032 B15R1.956 CCC(C)CNc1ccc(cc1)[N+](=O)[O-] 2230a_100015195142_100000748023 [0,1,0,0,0,0|2,0,0]=3 1033 B15R1.956 CCC(C)CNc1ccc(cc1)[N+](=O)[O-] 34a_100015195142_100000748023 [0,1,0,0,0,0|2,0,0]=3 1034 B15R1.956 CCC(C)COc1ccc(cc1)C(=O)C 34a_100000185113_100000748023 [0,1,0,0,0,0|3,0,0]=4 1035 B15R1.956 CCC(C)COc1ccc(cc1)C(=O)C 7a_100000185113_100000748023 [0,1,0,0,0,0|3,0,0]=4 1036 B15R1.956 CCC(C)COc1ccc(cc1)C(=O)N 34a_100000746352_100000748023 [0,1,0,0,0,0|3,0,0]=4 1037 B15R1.956 CCC(C)COc1ccc(cc1)C(=O)N 7a_100000746352_100000748023 [0,1,0,0,0,0|3,0,0]=4 1038 B15R1.956 CCC(C)COc1ccc(cc1)S(=O)C 34a_200000064373_100000748023 [0,1,0,0,0,0|3,0,0]=4 1039 B15R1.956 CCC(C)COc1ccc(cc1)S(=O)C 7a_200000064373_100000748023 [0,1,0,0,0,0|3,0,0]=4 1040 B15R1.956 CCC(C)COc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_100000748023 [0,1,0,0,0,0|1,0,0]=2 1041 B15R1.956 CCC(C)COc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_100000748023 [0,1,0,0,0,0|1,0,0]=2 1042 B15R1.956 CCC(C)COc1ccc(nc1)[N+](=O)[O-] 7a_100000060138_100000748023 [0,1,0,0,0,0|2,0,0]=3 1043 B15R1.956 CCC(C)NCc1ccc(cc1)[N+](=O)[O-] 207a_100000209981_100000189386 [0,1,0,0,0,0|3,0,0]=4 1044 B15R1.956 CCC(C)NCc1ccc(cc1)[N+](=O)[O-] 2230a_100000209981_100000181861 [0,1,0,0,0,0|3,0,0]=4 1045 B15R1.956 CCC(C)NCc1ccc(cc1)[N+](=O)[O-] 2230a_100000742766_100000758301 [0,1,0,0,0,0|3,0,0]=4 1046 B15R1.956 CCC(C)NCc1ccc(cc1)[N+](=O)[O-] 270004a_100000209981_100000189386 [0,1,0,0,0,0|3,0,0]=4 1047 B15R1.956 CCC(C)NCc1ccc(cc1)[N+](=O)[O-] 34a_100000742766_100011215416 [0,1,0,0,0,0|3,0,0]=4 1048 B15R1.956 CCC(C)OCc1ccc(cc1)[N+](=O)[O-] 34a_100000211695_100011215416 [0,1,0,0,0,0|3,0,0]=4 1049 B15R1.956 CCC(C)OCc1ccc(cc1)[N+](=O)[O-] 7a_100000210228_100000181861 [0,1,0,0,0,0|3,0,0]=4 1050 B15R1.956 CCC(C)SCc1ccc(cc1)[N+](=O)[O-] 62a_100000758301_100000184243 [0,1,0,0,0,0|3,0,0]=4 1051 B15R1.956 CCC(O)CNc1ccc(cc1)[N+](=O)[O-] 2230a_100015195142_100011218378 [0,1,0,0,0,0|2,0,0]=3 1052 B15R1.956 CCC(O)CNc1ccc(cc1)[N+](=O)[O-] 34a_100015195142_100011218378 [0,1,0,0,0,0|2,0,0]=3 1053 B15R1.956 CCC(O)COc1ccc(cc1)C(=O)C 34a_100000185113_100011218378 [0,1,0,0,0,0|3,0,0]=4 1054 B15R1.956 CCC(O)COc1ccc(cc1)C(=O)C 7a_100000185113_100011218378 [0,1,0,0,0,0|3,0,0]=4 1055 B15R1.956 CCC(O)COc1ccc(cc1)C(=O)N 34a_100000746352_100011218378 [0,1,0,0,0,0|3,0,0]=4 1056 B15R1.956 CCC(O)COc1ccc(cc1)C(=O)N 7a_100000746352_100011218378 [0,1,0,0,0,0|3,0,0]=4 1057 B15R1.956 CCC(O)COc1ccc(cc1)S(=O)C 34a_200000064373_100011218378 [0,1,0,0,0,0|3,0,0]=4 1058 B15R1.956 CCC(O)COc1ccc(cc1)S(=O)C 7a_200000064373_100011218378 [0,1,0,0,0,0|3,0,0]=4 1059 B15R1.956 CCC(O)COc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_100011218378 [0,1,0,0,0,0|1,0,0]=2 1060 B15R1.956 CCC(O)COc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_100011218378 [0,1,0,0,0,0|1,0,0]=2 1061 B15R1.956 CCC(O)COc1ccc(nc1)[N+](=O)[O-] 7a_100000060138_100011218378 [0,1,0,0,0,0|2,0,0]=3 1062 B15R1.956 CCN(C)CCc1ccc(cc1)[N+](=O)[O-] 2230a_100000009637_100000210202 [0,1,0,0,0,0|3,0,0]=4 1063 B15R1.956 CCN(C)CCc1ccc(cc1)[N+](=O)[O-] 2230a_100000225621_100000736421 [0,1,0,0,0,0|3,0,0]=4 1064 B15R1.956 CCN(C)CCc1ccc(cc1)[N+](=O)[O-] 269982a_100000009637_100000204670 [0,1,0,0,0,0|3,0,0]=4 1065 B15R1.956 CCN(C)CCc1ccc(cc1)[N+](=O)[O-] 269982a_100000225621_100000736421 [0,1,0,0,0,0|3,0,0]=4 1066 B15R1.956 CC[C@H](C)CNc1ccc(cc1)[N+](=O)[O-] 2230a_100015195142_100009816398 [0,1,0,0,0,0|2,0,0]=3 1067 B15R1.956 CC[C@H](C)CNc1ccc(cc1)[N+](=O)[O-] 34a_100015195142_100009816398 [0,1,0,0,0,0|2,0,0]=3 1068 B15R1.956 CC[C@H](C)COc1ccc(cc1)C(=O)C 34a_100000185113_100009816398 [0,1,0,0,0,0|3,0,0]=4 1069 B15R1.956 CC[C@H](C)COc1ccc(cc1)C(=O)C 7a_100000185113_100009816398 [0,1,0,0,0,0|3,0,0]=4 1070 B15R1.956 CC[C@H](C)COc1ccc(cc1)C(=O)N 34a_100000746352_100009816398 [0,1,0,0,0,0|3,0,0]=4 1071 B15R1.956 CC[C@H](C)COc1ccc(cc1)C(=O)N 7a_100000746352_100009816398 [0,1,0,0,0,0|3,0,0]=4 1072 B15R1.956 CC[C@H](C)COc1ccc(cc1)S(=O)C 34a_200000064373_100009816398 [0,1,0,0,0,0|3,0,0]=4 1073 B15R1.956 CC[C@H](C)COc1ccc(cc1)S(=O)C 7a_200000064373_100009816398 [0,1,0,0,0,0|3,0,0]=4 1074 B15R1.956 CC[C@H](C)COc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_100009816398 [0,1,0,0,0,0|1,0,0]=2 1075 B15R1.956 CC[C@H](C)COc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_100009816398 [0,1,0,0,0,0|1,0,0]=2 1076 B15R1.956 CC[C@H](C)COc1ccc(nc1)[N+](=O)[O-] 7a_100000060138_100009816398 [0,1,0,0,0,0|2,0,0]=3 1077 B15R1.956 CN(C)c1ccc(cc1)OCC(O)CO 34a_100000718910_100011219619 [0,1,0,0,0,0|2,0,1]=4 1078 B15R1.956 CN(C)c1ccc(cc1)OC[C@@H](O)CO 34a_100000718910_100009815848 [0,1,0,0,0,0|2,0,1]=4 1079 B15R1.956 CN(CF)CCc1ccc(cc1)[N+](=O)[O-] 269982a_100000009637_100015361967 [0,1,0,0,0,0|3,0,0]=4 1080 B15R1.956 CNC(=O)COc1ccc(cc1)[N+](=O)[O-] 11a_106832991635_100000181393 [0,1,0,0,0,0|2,0,1]=4 1081 B15R1.956 CNC(=O)COc1ccc(cc1)[N+](=O)[O-] 1626a_100102657272_100000181393 [0,1,0,0,0,0|2,0,1]=4 1082 B15R1.956 CNC(=O)COc1ccc(cc1)[N+](=O)[O-] 240690a_100102657272_100000181393 [0,1,0,0,0,0|2,0,1]=4 1083 B15R1.956 CNC(=O)COc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_100000183359 [0,1,0,0,0,0|2,0,1]=4 1084 B15R1.956 CNC(=O)COc1ccc(cc1)[N+](=O)[O-] 527a_100102657272_100000181393 [0,1,0,0,0,0|2,0,1]=4 1085 B15R1.956 CNC(=O)COc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_100000183359 [0,1,0,0,0,0|2,0,1]=4 1086 B15R1.956 CNC(C)CCc1ccc(cc1)[N+](=O)[O-] 270004a_106832991635_100011279155 [0,1,0,0,0,0|3,0,0]=4 1087 B15R1.956 COC(=O)COc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_100000747449 [0,1,0,0,0,0|2,0,1]=4 1088 B15R1.956 COC(=O)COc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_100000747449 [0,1,0,0,0,0|2,0,1]=4 1089 B15R1.956 COC(C)CCc1ccc(cc1)[N+](=O)[O-] 34a_200011539411_200000210301 [0,1,0,0,0,0|3,0,0]=4 1090 B15R1.956 COC(C)CCc1ccc(cc1)[N+](=O)[O-] 7a_200011539411_200000210301 [0,1,0,0,0,0|3,0,0]=4 1091 B15R1.956 CS(=O)c1ccc(cc1)OCC(O)CO 34a_200000064373_100011219619 [0,1,0,0,0,0|2,0,0]=3 1092 B15R1.956 CS(=O)c1ccc(cc1)OCC(O)CO 7a_200000064373_100011219619 [0,1,0,0,0,0|2,0,0]=3 1093 B15R1.956 CS(=O)c1ccc(cc1)OC[C@@H](O)CF 34a_200000064373_100015614560 [0,1,0,0,0,0|3,0,0]=4 1094 B15R1.956 CS(=O)c1ccc(cc1)OC[C@@H](O)CF 7a_200000064373_100015614560 [0,1,0,0,0,0|3,0,0]=4 1095 B15R1.956 CS(=O)c1ccc(cc1)OC[C@@H](O)CO 34a_200000064373_100009815848 [0,1,0,0,0,0|2,0,0]=3 1096 B15R1.956 CS(=O)c1ccc(cc1)OC[C@@H](O)CO 7a_200000064373_100009815848 [0,1,0,0,0,0|2,0,0]=3 1097 B15R1.956 CS(=O)c1ccc(cc1)SCC(O)CO 62a_100009816266_100011219619 [0,1,0,0,0,0|2,1,0]=4 1098 B15R1.956 CS(=O)c1ccc(cc1)SC[C@@H](O)CO 62a_100009816266_100009815848 [0,1,0,0,0,0|2,1,0]=4 1099 B15R1.956 C[C@@H](CO)CNc1ccc(cc1)C(=O)N 34a_100000210537_100000059175 [0,1,0,0,0,0|3,0,0]=4 1100 B15R1.956 C[C@@H](CO)CNc1ccc(cc1)[N+](=O)[O-] 2230a_100015195142_100000059175 [0,1,0,0,0,0|1,0,0]=2 1101 B15R1.956 C[C@@H](CO)CNc1ccc(cc1)[N+](=O)[O-] 34a_100015195142_100000059175 [0,1,0,0,0,0|1,0,0]=2 1102 B15R1.956 C[C@@H](CO)COc1ccc(cc1)C(=O)N 34a_100000746352_100000059175 [0,1,0,0,0,0|2,0,0]=3 1103 B15R1.956 C[C@@H](CO)COc1ccc(cc1)C(=O)N 7a_100000746352_100000059175 [0,1,0,0,0,0|2,0,0]=3 1104 B15R1.956 C[C@@H](CO)COc1ccc(cc1)N(C)C 34a_100000718910_100000059175 [0,1,0,0,0,0|2,0,1]=4 1105 B15R1.956 C[C@@H](CO)COc1ccc(cc1)S(=O)C 34a_200000064373_100000059175 [0,1,0,0,0,0|2,0,0]=3 1106 B15R1.956 C[C@@H](CO)COc1ccc(cc1)S(=O)C 7a_200000064373_100000059175 [0,1,0,0,0,0|2,0,0]=3 1107 B15R1.956 C[C@@H](CO)COc1ccc(cc1)[C@H](C)N 34a_100161106496_100000059175 [0,1,0,0,0,0|3,0,0]=4 1108 B15R1.956 C[C@@H](CO)COc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_100000059175 [0,1,0,0,0,0|0,0,0]=1 1109 B15R1.956 C[C@@H](CO)COc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_100000059175 [0,1,0,0,0,0|0,0,0]=1 1110 B15R1.956 C[C@@H](CO)COc1ccc(cc1)[S+](C)C 34a_100010188728_100000059175 [0,1,0,0,0,0|3,0,0]=4 1111 B15R1.956 C[C@@H](CO)COc1ccc(cc1)[S+](C)C 7a_100010188728_100000059175 [0,1,0,0,0,0|3,0,0]=4 1112 B15R1.956 C[C@@H](CO)COc1ccc(nc1)[N+](=O)[O-] 7a_100000060138_100000059175 [0,1,0,0,0,0|1,0,0]=2 1113 B15R1.956 C[C@@H](CO)CSc1ccc(cc1)C(=O)N 62a_100000059175_100000162191 [0,1,0,0,0,0|2,1,0]=4 1114 B15R1.956 C[C@@H](CO)CSc1ccc(cc1)C(=O)N 62a_100000162191_100000059175 [0,1,0,0,0,0|2,1,0]=4 1115 B15R1.956 C[C@@H](CO)CSc1ccc(cc1)S(=O)C 62a_100009816266_100000059175 [0,1,0,0,0,0|2,1,0]=4 1116 B15R1.956 C[C@H](CF)NCc1ccc(cc1)[N+](=O)[O-] 207a_100102880703_100000189386 [0,1,0,0,0,0|3,0,0]=4 1117 B15R1.956 C[C@H](CF)NCc1ccc(cc1)[N+](=O)[O-] 270004a_100102880703_100000189386 [0,1,0,0,0,0|3,0,0]=4 1118 B15R1.956 C[C@H](CO)NCc1ccc(cc1)[N+](=O)[O-] 207a_100000737577_100000189386 [0,1,0,0,0,0|2,0,0]=3 1119 B15R1.956 C[C@H](CO)NCc1ccc(cc1)[N+](=O)[O-] 2230a_100000737577_100000181861 [0,1,0,0,0,0|2,0,0]=3 1120 B15R1.956 C[C@H](CO)NCc1ccc(cc1)[N+](=O)[O-] 270004a_100000737577_100000189386 [0,1,0,0,0,0|2,0,0]=3 1121 B15R1.956 C[C@H](CO)SCc1ccc(cc1)[N+](=O)[O-] 62a_100016084084_100000184243 [0,1,0,0,0,0|2,0,0]=3 1122 B15R1.956 C[C@H](N)c1ccc(cc1)OCC(O)CO 34a_100161106496_100011219619 [0,1,0,0,0,0|3,0,0]=4 1123 B15R1.956 C[C@H](N)c1ccc(cc1)OC[C@@H](O)CO 34a_100161106496_100009815848 [0,1,0,0,0,0|3,0,0]=4 1124 B15R1.956 C[S+](C)c1ccc(cc1)OCC(O)CO 34a_100010188728_100011219619 [0,1,0,0,0,0|3,0,0]=4 1125 B15R1.956 C[S+](C)c1ccc(cc1)OCC(O)CO 7a_100010188728_100011219619 [0,1,0,0,0,0|3,0,0]=4 1126 B15R1.956 C[S+](C)c1ccc(cc1)OC[C@@H](O)CO 34a_100010188728_100009815848 [0,1,0,0,0,0|3,0,0]=4 1127 B15R1.956 C[S+](C)c1ccc(cc1)OC[C@@H](O)CO 7a_100010188728_100009815848 [0,1,0,0,0,0|3,0,0]=4 1128 B15R1.956 NC(=O)c1ccc(cc1)NCC(O)CO 34a_100000210537_100011219619 [0,1,0,0,0,0|3,0,0]=4 1129 B15R1.956 NC(=O)c1ccc(cc1)NC[C@@H](F)CO 27a_100015665980_100000162191 [0,1,0,0,0,0|3,0,0]=4 1130 B15R1.956 NC(=O)c1ccc(cc1)NC[C@@H](O)CO 34a_100000210537_100009815848 [0,1,0,0,0,0|3,0,0]=4 1131 B15R1.956 NC(=O)c1ccc(cc1)NC[C@H](O)CO 27a_100020644852_100000162191 [0,1,0,0,0,0|3,0,0]=4 1132 B15R1.956 NC(=O)c1ccc(cc1)OCC(O)CO 34a_100000746352_100011219619 [0,1,0,0,0,0|2,0,0]=3 1133 B15R1.956 NC(=O)c1ccc(cc1)OCC(O)CO 7a_100000746352_100011219619 [0,1,0,0,0,0|2,0,0]=3 1134 B15R1.956 NC(=O)c1ccc(cc1)OC[C@@H](O)CF 34a_100000746352_100015614560 [0,1,0,0,0,0|3,0,0]=4 1135 B15R1.956 NC(=O)c1ccc(cc1)OC[C@@H](O)CF 7a_100000746352_100015614560 [0,1,0,0,0,0|3,0,0]=4 1136 B15R1.956 NC(=O)c1ccc(cc1)OC[C@@H](O)CO 34a_100000746352_100009815848 [0,1,0,0,0,0|2,0,0]=3 1137 B15R1.956 NC(=O)c1ccc(cc1)OC[C@@H](O)CO 7a_100000746352_100009815848 [0,1,0,0,0,0|2,0,0]=3 1138 B15R1.956 NC(=O)c1ccc(cc1)SCC(O)CO 62a_100000162191_100011219619 [0,1,0,0,0,0|2,1,0]=4 1139 B15R1.956 NC(=O)c1ccc(cc1)SCC(O)CO 62a_100011219619_100000162191 [0,1,0,0,0,0|2,1,0]=4 1140 B15R1.956 NC(=O)c1ccc(cc1)SC[C@@H](O)CO 62a_100000162191_100009815848 [0,1,0,0,0,0|2,1,0]=4 1141 B15R1.956 NC(=O)c1ccc(cc1)SC[C@@H](O)CO 62a_100009815848_100000162191 [0,1,0,0,0,0|2,1,0]=4 1142 B15R1.956 O=C(CF)CCc1ccc(cc1)[N+](=O)[O-] 1458a_100000741710_100015361967 [0,1,0,0,0,0|2,0,1]=4 1143 B15R1.956 O=C(CF)COc1ccc(cc1)[N+](=O)[O-] 1458a_100000181393_100015361967 [0,1,0,0,0,0|1,0,1]=3 1144 B15R1.956 O=C(CF)CSc1ccc(cc1)[N+](=O)[O-] 1458a_100000156286_100015361967 [0,1,0,0,0,0|1,1,1]=4 1145 B15R1.956 O=C(CO)CCc1ccc(cc1)[N+](=O)[O-] 1458a_100000210174_100000736421 [0,1,0,0,0,0|1,0,1]=3 1146 B15R1.956 O=C(CO)NCc1ccc(cc1)[N+](=O)[O-] 240690a_100000742766_100000210174 [0,1,0,0,0,0|2,0,1]=4 1147 B15R1.956 O=C(CO)NCc1ccc(cc1)[N+](=O)[O-] 527a_100000742766_100000210174 [0,1,0,0,0,0|2,0,1]=4 1148 B15R1.956 O=C(CO)NNc1ccc(cc1)[N+](=O)[O-] 22a_100000006255_100000210174 [0,1,0,0,0,0|2,0,1]=4 1149 B15R1.956 O=[N+]([O-])c1ccc(cc1)NCC(O)CO 2230a_100015195142_100011219619 [0,1,0,0,0,0|1,0,0]=2 1150 B15R1.956 O=[N+]([O-])c1ccc(cc1)NCC(O)CO 34a_100015195142_100011219619 [0,1,0,0,0,0|1,0,0]=2 1151 B15R1.956 O=[N+]([O-])c1ccc(cc1)NC[C@@H](O)CF 2230a_100015195142_100015614560 [0,1,0,0,0,0|2,0,0]=3 1152 B15R1.956 O=[N+]([O-])c1ccc(cc1)NC[C@@H](O)CF 34a_100015195142_100015614560 [0,1,0,0,0,0|2,0,0]=3 1153 B15R1.956 O=[N+]([O-])c1ccc(cc1)NC[C@@H](O)CO 2230a_100015195142_100009815848 [0,1,0,0,0,0|1,0,0]=2 1154 B15R1.956 O=[N+]([O-])c1ccc(cc1)NC[C@@H](O)CO 34a_100015195142_100009815848 [0,1,0,0,0,0|1,0,0]=2 1155 B15R1.956 O=[N+]([O-])c1ccc(cc1)OCC(O)CO 34a_100000185810_100011219619 [0,1,0,0,0,0|0,0,0]=1 1156 B15R1.956 O=[N+]([O-])c1ccc(cc1)OCC(O)CO 7a_100000185810_100011219619 [0,1,0,0,0,0|0,0,0]=1 1157 B15R1.956 O=[N+]([O-])c1ccc(cc1)OC[C@@H](O)CF 34a_100000185810_100015614560 [0,1,0,0,0,0|1,0,0]=2 1158 B15R1.956 O=[N+]([O-])c1ccc(cc1)OC[C@@H](O)CF 7a_100000185810_100015614560 [0,1,0,0,0,0|1,0,0]=2 1159 B15R1.956 O=[N+]([O-])c1ccc(cc1)OC[C@@H](O)CO 34a_100000185810_100009815848 [0,1,0,0,0,0|0,0,0]=1 1160 B15R1.956 O=[N+]([O-])c1ccc(cc1)OC[C@@H](O)CO 7a_100000185810_100009815848 [0,1,0,0,0,0|0,0,0]=1 1161 B15R1.956 O=[N+]([O-])c1ccc(cn1)OCC(O)CO 7a_100000060138_100011219619 [0,1,0,0,0,0|1,0,0]=2 1162 B15R1.956 O=[N+]([O-])c1ccc(cn1)OC[C@@H](O)CF 7a_100000060138_100015614560 [0,1,0,0,0,0|2,0,0]=3 1163 B15R1.956 O=[N+]([O-])c1ccc(cn1)OC[C@@H](O)CO 7a_100000060138_100009815848 [0,1,0,0,0,0|1,0,0]=2 1164 B15R1.1030 C#CCCCNc1ccc(cc1)[N+](=O)[O-] 2230a_100015195142_100000731252 [0,1,0,0,0,0|2,0,0]=3 1165 B15R1.1030 C#CCCCNc1ccc(cc1)[N+](=O)[O-] 34a_100015195142_100000695029 [0,1,0,0,0,0|2,0,0]=3 1166 B15R1.1030 C#CCCCOc1ccc(cc1)C(=O)C 34a_100000185113_100000695029 [0,1,0,0,0,0|3,0,0]=4 1167 B15R1.1030 C#CCCCOc1ccc(cc1)C(=O)C 7a_100000185113_100011215417 [0,1,0,0,0,0|3,0,0]=4 1168 B15R1.1030 C#CCCCOc1ccc(cc1)C(=O)N 34a_100000746352_100000695029 [0,1,0,0,0,0|3,0,0]=4 1169 B15R1.1030 C#CCCCOc1ccc(cc1)C(=O)N 7a_100000746352_100011215417 [0,1,0,0,0,0|3,0,0]=4 1170 B15R1.1030 C#CCCCOc1ccc(cc1)S(=O)C 34a_200000064373_100000695029 [0,1,0,0,0,0|3,0,0]=4 1171 B15R1.1030 C#CCCCOc1ccc(cc1)S(=O)C 7a_200000064373_100011215417 [0,1,0,0,0,0|3,0,0]=4 1172 B15R1.1030 C#CCCCOc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_100000695029 [0,1,0,0,0,0|1,0,0]=2 1173 B15R1.1030 C#CCCCOc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_100011215417 [0,1,0,0,0,0|1,0,0]=2 1174 B15R1.1030 C#CCCCOc1ccc(nc1)[N+](=O)[O-] 7a_100000060138_100011215417 [0,1,0,0,0,0|2,0,0]=3 1175 B15R1.1030 C#CCCNCc1ccc(cc1)[N+](=O)[O-] 2230a_100000742766_100000688953 [0,1,0,0,0,0|2,0,1]=4 1176 B15R1.1030 C#CCCNCc1ccc(cc1)[N+](=O)[O-] 34a_100000742766_100000688953 [0,1,0,0,0,0|2,0,1]=4 1177 B15R1.1030 C#CCCNCc1ccc(cc1)[N+](=O)[O-] 34a_100000755551_100000181861 [0,1,0,0,0,0|2,0,1]=4 1178 B15R1.1030 C#CCCOCc1ccc(cc1)[N+](=O)[O-] 34a_100000211695_100000688953 [0,1,0,0,0,0|1,0,1]=3 1179 B15R1.1030 C#CCCOCc1ccc(cc1)[N+](=O)[O-] 34a_100011215631_100000181861 [0,1,0,0,0,0|1,0,1]=3 1180 B15R1.1030 C#CCCSCc1ccc(cc1)[N+](=O)[O-] 62a_100000688953_100000184243 [0,1,0,0,0,0|1,1,1]=4 1181 B15R1.1030 C#CCNCCc1ccc(cc1)[N+](=O)[O-] 2230a_100000744123_100000038162 [0,1,0,0,0,0|2,0,1]=4 1182 B15R1.1030 C#CCNCCc1ccc(cc1)[N+](=O)[O-] 34a_100000212058_100000736421 [0,1,0,0,0,0|2,0,1]=4 1183 B15R1.1030 C#CCNCCc1ccc(cc1)[N+](=O)[O-] 34a_100000744123_100000184674 [0,1,0,0,0,0|2,0,1]=4 1184 B15R1.1030 C#CCOCCc1ccc(cc1)[N+](=O)[O-] 34a_100000210247_100000736421 [0,1,0,0,0,0|2,0,1]=4 1185 B15R1.1030 C#CCOCCc1ccc(cc1)[N+](=O)[O-] 34a_100000704122_100000184674 [0,1,0,0,0,0|2,0,1]=4 1186 B15R1.1030 C#CCOCCc1ccc(cc1)[N+](=O)[O-] 7a_100000704122_100000038162 [0,1,0,0,0,0|2,0,1]=4 1187 B15R1.1030 C#CCSCCc1ccc(cc1)[N+](=O)[O-] 62a_100000038162_100000736421 [0,1,0,0,0,0|2,0,1]=4 1188 B15R1.1030 C/C=C/COCc1ccc(cc1)[N+](=O)[O-] 34a_100000211695_100102629194 [0,1,0,0,0,0|1,0,2]=4 1189 B15R1.1030 C/C=C/COCc1ccc(cc1)[N+](=O)[O-] 34a_100016270725_100000181861 [0,1,0,0,0,0|1,0,2]=4 1190 B15R1.1030 C=C(C)c1ccc(cc1)OCCCCO 34a_100009880102_100011216708 [0,1,0,0,0,0|3,0,0]=4 1191 B15R1.1030 C=C(C)c1ccc(cc1)OCCCCO 7a_100009880102_100000210776 [0,1,0,0,0,0|3,0,0]=4 1192 B15R1.1030 C=C(C)c1ccc(cc1)OCCCOC 271570a_100000694244_200011326559 [0,1,0,0,0,0|3,0,0]=4 1193 B15R1.1030 C=C(C)c1ccc(cc1)OCCCOC 34a_100009880102_100000740836 [0,1,0,0,0,0|3,0,0]=4 1194 B15R1.1030 C=C(C)c1ccc(cc1)OCCCOC 7a_100009880102_100000740836 [0,1,0,0,0,0|3,0,0]=4 1195 B15R1.1030 C=CCCCNc1ccc(cc1)[N+](=O)[O-] 2230a_100015195142_100011713584 [0,1,0,0,0,0|2,0,0]=3 1196 B15R1.1030 C=CCCCNc1ccc(cc1)[N+](=O)[O-] 34a_100015195142_100000757094 [0,1,0,0,0,0|2,0,0]=3 1197 B15R1.1030 C=CCCCOc1ccc(cc1)C(=O)C 34a_100000185113_100000757094 [0,1,0,0,0,0|3,0,0]=4 1198 B15R1.1030 C=CCCCOc1ccc(cc1)C(=O)C 7a_100000185113_100000757094 [0,1,0,0,0,0|3,0,0]=4 1199 B15R1.1030 C=CCCCOc1ccc(cc1)C(=O)N 34a_100000746352_100000757094 [0,1,0,0,0,0|3,0,0]=4 1200 B15R1.1030 C=CCCCOc1ccc(cc1)C(=O)N 7a_100000746352_100000757094 [0,1,0,0,0,0|3,0,0]=4 1201 B15R1.1030 C=CCCCOc1ccc(cc1)S(=O)C 34a_200000064373_100000757094 [0,1,0,0,0,0|3,0,0]=4 1202 B15R1.1030 C=CCCCOc1ccc(cc1)S(=O)C 7a_200000064373_100000757094 [0,1,0,0,0,0|3,0,0]=4 1203 B15R1.1030 C=CCCCOc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_100000757094 [0,1,0,0,0,0|1,0,0]=2 1204 B15R1.1030 C=CCCCOc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_100000757094 [0,1,0,0,0,0|1,0,0]=2 1205 B15R1.1030 C=CCCCOc1ccc(nc1)[N+](=O)[O-] 7a_100000060138_100000757094 [0,1,0,0,0,0|2,0,0]=3 1206 B15R1.1030 C=CCCNCc1ccc(cc1)[N+](=O)[O-] 207a_100015191253_100000189386 [0,1,0,0,0,0|2,0,1]=4 1207 B15R1.1030 C=CCCNCc1ccc(cc1)[N+](=O)[O-] 2230a_100000742766_100000754431 [0,1,0,0,0,0|2,0,1]=4 1208 B15R1.1030 C=CCCNCc1ccc(cc1)[N+](=O)[O-] 2230a_100015191253_100000181861 [0,1,0,0,0,0|2,0,1]=4 1209 B15R1.1030 C=CCCNCc1ccc(cc1)[N+](=O)[O-] 270004a_100015191253_100000189386 [0,1,0,0,0,0|2,0,1]=4 1210 B15R1.1030 C=CCCNCc1ccc(cc1)[N+](=O)[O-] 34a_100000742766_100000754431 [0,1,0,0,0,0|2,0,1]=4 1211 B15R1.1030 C=CCCOCc1ccc(cc1)[N+](=O)[O-] 34a_100000211695_100000754431 [0,1,0,0,0,0|1,0,1]=3 1212 B15R1.1030 C=CCCOCc1ccc(cc1)[N+](=O)[O-] 34a_100011205117_100000181861 [0,1,0,0,0,0|1,0,1]=3 1213 B15R1.1030 C=CCCSCc1ccc(cc1)[N+](=O)[O-] 62a_100000754431_100000184243 [0,1,0,0,0,0|1,1,1]=4 1214 B15R1.1030 C=CCNCCc1ccc(cc1)[N+](=O)[O-] 2230a_100000744123_100000210623 [0,1,0,0,0,0|2,0,1]=4 1215 B15R1.1030 C=CCNCCc1ccc(cc1)[N+](=O)[O-] 2230a_100020586998_100000736421 [0,1,0,0,0,0|2,0,1]=4 1216 B15R1.1030 C=CCNCCc1ccc(cc1)[N+](=O)[O-] 34a_100000744123_100015514636 [0,1,0,0,0,0|2,0,1]=4 1217 B15R1.1030 C=CCOCCc1ccc(cc1)[N+](=O)[O-] 34a_100000704122_100015514636 [0,1,0,0,0,0|2,0,1]=4 1218 B15R1.1030 C=CCOCCc1ccc(cc1)[N+](=O)[O-] 34a_200000210373_100000736421 [0,1,0,0,0,0|2,0,1]=4 1219 B15R1.1030 C=CCOCCc1ccc(cc1)[N+](=O)[O-] 7a_100000704122_100015514636 [0,1,0,0,0,0|2,0,1]=4 1220 B15R1.1030 C=CCSCCc1ccc(cc1)[N+](=O)[O-] 62a_100000210623_100000736421 [0,1,0,0,0,0|2,0,1]=4 1221 B15R1.1030 C=COCCNc1ccc(cc1)[N+](=O)[O-] 2230a_100015195142_100000039644 [0,1,0,0,0,0|2,0,1]=4 1222 B15R1.1030 C=COCCNc1ccc(cc1)[N+](=O)[O-] 34a_100015195142_100000039644 [0,1,0,0,0,0|2,0,1]=4 1223 B15R1.1030 C=COCCOc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_100000039644 [0,1,0,0,0,0|1,0,1]=3 1224 B15R1.1030 C=COCCOc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_100000039644 [0,1,0,0,0,0|1,0,1]=3 1225 B15R1.1030 C=COCCOc1ccc(nc1)[N+](=O)[O-] 7a_100000060138_100000039644 [0,1,0,0,0,0|2,0,1]=4 1226 B15R1.1030 CC#CCOCc1ccc(cc1)[N+](=O)[O-] 34a_100000211695_100000748600 [0,1,0,0,0,0|1,0,2]=4 1227 B15R1.1030 CC#CCOCc1ccc(cc1)[N+](=O)[O-] 34a_100000761923_100000181861 [0,1,0,0,0,0|1,0,2]=4 1228 B15R1.1030 CC(=O)c1ccc(cc1)CCNCCO 2230a_100016997473_200000038727 [0,1,0,0,0,0|3,0,0]=4 1229 B15R1.1030 CC(=O)c1ccc(cc1)CCNCCO 34a_100016990907_200000038727 [0,1,0,0,0,0|3,0,0]=4 1230 B15R1.1030 CC(=O)c1ccc(cc1)CCSCCO 62a_100000211926_200000038727 [0,1,0,0,0,0|3,0,0]=4 1231 B15R1.1030 CC(=O)c1ccc(cc1)CCSCCO 62a_200000038727_100000211926 [0,1,0,0,0,0|3,0,0]=4 1232 B15R1.1030 CC(=O)c1ccc(cc1)COCCCBr 34a_100011217188_100000756337 [0,1,0,0,0,0|3,0,0]=4 1233 B15R1.1030 CC(=O)c1ccc(cc1)COCCCCl 34a_100000230001_100000756337 [0,1,0,0,0,0|3,0,0]=4 1234 B15R1.1030 CC(=O)c1ccc(cc1)COCCCF 34a_100000759539_100000756337 [0,1,0,0,0,0|3,0,0]=4 1235 B15R1.1030 CC(=O)c1ccc(cc1)COCCCF 7a_100000082505_100011934791 [0,1,0,0,0,0|3,0,0]=4 1236 B15R1.1030 CC(=O)c1ccc(cc1)COCCCN 34a_100000182051_100000756337 [0,1,0,0,0,0|3,0,0]=4 1237 B15R1.1030 CC(=O)c1ccc(cc1)COCCCO 7a_100000082505_100011215043 [0,1,0,0,0,0|2,0,0]=3 1238 B15R1.1030 CC(=O)c1ccc(cc1)CSCCCO 62a_100000756337_100011215043 [0,1,0,0,0,0|2,1,0]=4 1239 B15R1.1030 CC(=O)c1ccc(cc1)CSCCCO 62a_100011215043_100000756337 [0,1,0,0,0,0|2,1,0]=4 1240 B15R1.1030 CC(=O)c1ccc(cc1)OCC#CCO 34a_100000185113_200000047223 [0,1,0,0,0,0|2,0,1]=4 1241 B15R1.1030 CC(=O)c1ccc(cc1)OCC#CCO 7a_100000185113_200000047223 [0,1,0,0,0,0|2,0,1]=4 1242 B15R1.1030 CC(=O)c1ccc(cc1)OCCCC#N 7a_100000185113_100000687738 [0,1,0,0,0,0|3,0,0]=4 1243 B15R1.1030 CC(=O)c1ccc(cc1)OCCCC=O 7a_100000185113_200011292268 [0,1,0,0,0,0|2,0,1]=4 1244 B15R1.1030 CC(=O)c1ccc(cc1)OCCCCF 34a_100000185113_100000729493 [0,1,0,0,0,0|3,0,0]=4 1245 B15R1.1030 CC(=O)c1ccc(cc1)OCCCCF 7a_100000185113_100000729493 [0,1,0,0,0,0|3,0,0]=4 1246 B15R1.1030 CC(=O)c1ccc(cc1)OCCCCO 34a_100000185113_100011216708 [0,1,0,0,0,0|2,0,0]=3 1247 B15R1.1030 CC(=O)c1ccc(cc1)OCCCCO 7a_100000185113_100000210776 [0,1,0,0,0,0|2,0,0]=3 1248 B15R1.1030 CC(=O)c1ccc(cc1)SCCCCO 62a_100000185465_100000210776 [0,1,0,0,0,0|2,1,0]=4 1249 B15R1.1030 CC(=O)c1ccc(cc1)SCCCCO 62a_100000210776_100000185465 [0,1,0,0,0,0|2,1,0]=4 1250 B15R1.1030 CC(=O)c1ccc(cn1)OCCCCO 34a_100012001710_100011216708 [0,1,0,0,0,0|3,0,0]=4 1251 B15R1.1030 CC(=O)c1ccc(cn1)OCCCCO 7a_100012001710_100000210776 [0,1,0,0,0,0|3,0,0]=4 1252 B15R1.1030 CC(C)c1ccc(cc1)COCCCO 34a_100000181325_100000230001 [0,1,0,0,0,0|3,0,0]=4 1253 B15R1.1030 CC(C)c1ccc(cc1)COCCCO 7a_100000181325_100011215043 [0,1,0,0,0,0|3,0,0]=4 1254 B15R1.1030 CC(C)c1ccc(cc1)OCCCCO 34a_100000181308_100011216708 [0,1,0,0,0,0|3,0,0]=4 1255 B15R1.1030 CC(C)c1ccc(cc1)OCCCCO 7a_100000181308_100000210776 [0,1,0,0,0,0|3,0,0]=4 1256 B15R1.1030 CC(O)c1ccc(cc1)OCCCCO 34a_100000754508_100011216708 [0,1,0,0,0,0|2,0,1]=4 1257 B15R1.1030 CC(O)c1ccc(cc1)OCCCCO 7a_100000754508_100000210776 [0,1,0,0,0,0|2,0,1]=4 1258 B15R1.1030 CC/C=C\CNc1ccc(cc1)[N+](=O)[O-] 2230a_100015195142_100103147603 [0,1,0,0,0,0|2,0,1]=4 1259 B15R1.1030 CC/C=C\CNc1ccc(cc1)[N+](=O)[O-] 34a_100015195142_100103147603 [0,1,0,0,0,0|2,0,1]=4 1260 B15R1.1030 CC/C=C\COc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_100103147603 [0,1,0,0,0,0|1,0,1]=3 1261 B15R1.1030 CC/C=C\COc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_100103147603 [0,1,0,0,0,0|1,0,1]=3 1262 B15R1.1030 CC/C=C\COc1ccc(nc1)[N+](=O)[O-] 7a_100000060138_100103147603 [0,1,0,0,0,0|2,0,1]=4 1263 B15R1.1030 CC=CCOCc1ccc(cc1)[N+](=O)[O-] 34a_100000211695_100000070051 [0,1,0,0,0,0|1,0,2]=4 1264 B15R1.1030 CCC#CCNc1ccc(cc1)[N+](=O)[O-] 2230a_100015195142_100009813939 [0,1,0,0,0,0|2,0,1]=4 1265 B15R1.1030 CCC#CCNc1ccc(cc1)[N+](=O)[O-] 34a_100015195142_100009813939 [0,1,0,0,0,0|2,0,1]=4 1266 B15R1.1030 CCC#CCOc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_100009813939 [0,1,0,0,0,0|1,0,1]=3 1267 B15R1.1030 CCC#CCOc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_100009813939 [0,1,0,0,0,0|1,0,1]=3 1268 B15R1.1030 CCC#CCOc1ccc(nc1)[N+](=O)[O-] 7a_100000060138_100009813939 [0,1,0,0,0,0|2,0,1]=4 1269 B15R1.1030 CCCC=NNc1ccc(cc1)[N+](=O)[O-] 4a_100000006255_100000185831 [0,1,0,0,0,0|2,0,1]=4 1270 B15R1.1030 CCCCCNc1ccc(cc1)[N+](=O)[O-] 2230a_100015195142_100000210326 [0,1,0,0,0,0|2,0,0]=3 1271 B15R1.1030 CCCCCNc1ccc(cc1)[N+](=O)[O-] 34a_100015195142_100000718602 [0,1,0,0,0,0|2,0,0]=3 1272 B15R1.1030 CCCCCOc1ccc(cc1)C(=O)C 1458a_100000186157_200000210301 [0,1,0,0,0,0|3,0,0]=4 1273 B15R1.1030 CCCCCOc1ccc(cc1)C(=O)C 34a_100000185113_100000718602 [0,1,0,0,0,0|3,0,0]=4 1274 B15R1.1030 CCCCCOc1ccc(cc1)C(=O)C 7a_100000185113_100000210326 [0,1,0,0,0,0|3,0,0]=4 1275 B15R1.1030 CCCCCOc1ccc(cc1)C(=O)N 34a_100000746352_100000718602 [0,1,0,0,0,0|3,0,0]=4 1276 B15R1.1030 CCCCCOc1ccc(cc1)C(=O)N 7a_100000746352_100000210326 [0,1,0,0,0,0|3,0,0]=4 1277 B15R1.1030 CCCCCOc1ccc(cc1)C(=O)[13CH3] 1458a_100000186157_200025704644 [0,1,0,0,0,0|3,0,0]=4 1278 B15R1.1030 CCCCCOc1ccc(cc1)S(=O)C 34a_200000064373_100000718602 [0,1,0,0,0,0|3,0,0]=4 1279 B15R1.1030 CCCCCOc1ccc(cc1)S(=O)C 7a_200000064373_100000210326 [0,1,0,0,0,0|3,0,0]=4 1280 B15R1.1030 CCCCCOc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_100000718602 [0,1,0,0,0,0|1,0,0]=2 1281 B15R1.1030 CCCCCOc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_100000210326 [0,1,0,0,0,0|1,0,0]=2 1282 B15R1.1030 CCCCCOc1ccc(nc1)[N+](=O)[O-] 7a_100000060138_100000210326 [0,1,0,0,0,0|2,0,0]=3 1283 B15R1.1030 CCCCNCc1ccc(cc1)[N+](=O)[O-] 207a_100000102301_100000189386 [0,1,0,0,0,0|2,0,0]=3 1284 B15R1.1030 CCCCNCc1ccc(cc1)[N+](=O)[O-] 2230a_100000102301_100000181861 [0,1,0,0,0,0|2,0,0]=3 1285 B15R1.1030 CCCCNCc1ccc(cc1)[N+](=O)[O-] 2230a_100000742766_100000210211 [0,1,0,0,0,0|2,0,0]=3 1286 B15R1.1030 CCCCNCc1ccc(cc1)[N+](=O)[O-] 270004a_100000102301_100000189386 [0,1,0,0,0,0|2,0,0]=3 1287 B15R1.1030 CCCCNCc1ccc(cc1)[N+](=O)[O-] 34a_100000742766_100000210210 [0,1,0,0,0,0|2,0,0]=3 1288 B15R1.1030 CCCCNCc1ccc(cc1)[N+](=O)[O-] 7a_106832991798_100000181861 [0,1,0,0,0,0|2,0,0]=3 1289 B15R1.1030 CCCCOCc1ccc(cc1)C(=O)C 34a_100000210227_100000756337 [0,1,0,0,0,0|3,0,0]=4 1290 B15R1.1030 CCCCOCc1ccc(cc1)C(=O)C 7a_100000082505_100000210211 [0,1,0,0,0,0|3,0,0]=4 1291 B15R1.1030 CCCCOCc1ccc(cc1)C(=O)C 7a_100000210227_100000756337 [0,1,0,0,0,0|3,0,0]=4 1292 B15R1.1030 CCCCOCc1ccc(cc1)C(=O)N 34a_100000162016_100000210210 [0,1,0,0,0,0|3,0,0]=4 1293 B15R1.1030 CCCCOCc1ccc(cc1)C(=O)N 34a_100000210227_100000231043 [0,1,0,0,0,0|3,0,0]=4 1294 B15R1.1030 CCCCOCc1ccc(cc1)C(=O)N 7a_100000162016_100000210211 [0,1,0,0,0,0|3,0,0]=4 1295 B15R1.1030 CCCCOCc1ccc(cc1)C(=O)N 7a_100000210227_100000231043 [0,1,0,0,0,0|3,0,0]=4 1296 B15R1.1030 CCCCOCc1ccc(cc1)[N+](=O)[O-] 34a_100000210227_100000181861 [0,1,0,0,0,0|1,0,0]=2 1297 B15R1.1030 CCCCOCc1ccc(cc1)[N+](=O)[O-] 34a_100000211695_100000210210 [0,1,0,0,0,0|1,0,0]=2 1298 B15R1.1030 CCCCOCc1ccc(cc1)[N+](=O)[O-] 7a_100000210227_100000181861 [0,1,0,0,0,0|1,0,0]=2 1299 B15R1.1030 CCCCSCc1ccc(cc1)[N+](=O)[O-] 62a_100000210211_100000184243 [0,1,0,0,0,0|1,1,0]=3 1300 B15R1.1030 CCCNCCc1ccc(cc1)[N+](=O)[O-] 2230a_100000744123_100000210303 [0,1,0,0,0,0|2,0,0]=3 1301 B15R1.1030 CCCNCCc1ccc(cc1)[N+](=O)[O-] 34a_100000744123_100000210303 [0,1,0,0,0,0|2,0,0]=3 1302 B15R1.1030 CCCNN=Cc1ccc(cc1)[N+](=O)[O-] 4a_100000740057_100000189386 [0,1,0,0,0,0|3,0,0]=4 1303 B15R1.1030 CCCOCCc1ccc(cc1)[N+](=O)[O-] 34a_100000210258_100000736421 [0,1,0,0,0,0|2,0,0]=3 1304 B15R1.1030 CCCOCCc1ccc(cc1)[N+](=O)[O-] 34a_100000704122_100000210303 [0,1,0,0,0,0|2,0,0]=3 1305 B15R1.1030 CCCOCCc1ccc(cc1)[N+](=O)[O-] 7a_100000704122_100000210303 [0,1,0,0,0,0|2,0,0]=3 1306 B15R1.1030 CCCSCCc1ccc(cc1)[N+](=O)[O-] 62a_100000210303_100000736421 [0,1,0,0,0,0|2,0,0]=3 1307 B15R1.1030 CCNCCCc1ccc(cc1)[N+](=O)[O-] 2230a_100015525214_100010167727 [0,1,0,0,0,0|2,0,0]=3 1308 B15R1.1030 CCNCCOc1ccc(cc1)C(=O)O 269956a_100015187144_100000210202 [0,1,0,0,0,0|2,0,1]=4 1309 B15R1.1030 CCNCCOc1ccc(cc1)[N+](=O)[O-] 2230a_100000754164_100000210202 [0,1,0,0,0,0|1,0,0]=2 1310 B15R1.1030 CCNCCOc1ccc(cc1)[N+](=O)[O-] 2230a_100015525214_100000742347 [0,1,0,0,0,0|1,0,0]=2 1311 B15R1.1030 CCNCCOc1ccc(cc1)[N+](=O)[O-] 34a_100000754164_100000210202 [0,1,0,0,0,0|1,0,0]=2 1312 B15R1.1030 CCOC/C=C\c1ccc(cc1)[N+](=O)[O-] 34a_100016273823_100000210202 [0,1,0,0,0,0|2,0,1]=4 1313 B15R1.1030 CCOCC#Cc1ccc(cc1)[N+](=O)[O-] 34a_100000038321_100000210202 [0,1,0,0,0,0|2,0,1]=4 1314 B15R1.1030 CCOCC#Cc1ccc(cc1)[N+](=O)[O-] 7a_100000038321_100000210202 [0,1,0,0,0,0|2,0,1]=4 1315 B15R1.1030 CCOCCCc1ccc(cc1)[N+](=O)[O-] 34a_100000090596_100000210202 [0,1,0,0,0,0|2,0,0]=3 1316 B15R1.1030 CCOCCCc1ccc(cc1)[N+](=O)[O-] 34a_100121572206_100010167727 [0,1,0,0,0,0|2,0,0]=3 1317 B15R1.1030 CCOCCCc1ccc(cc1)[N+](=O)[O-] 7a_100000090596_100000210202 [0,1,0,0,0,0|2,0,0]=3 1318 B15R1.1030 CCOCCNc1ccc(cc1)[N+](=O)[O-] 2230a_100015195142_100011215890 [0,1,0,0,0,0|2,0,0]=3 1319 B15R1.1030 CCOCCNc1ccc(cc1)[N+](=O)[O-] 34a_100015195142_100000210147 [0,1,0,0,0,0|2,0,0]=3 1320 B15R1.1030 CCOCCOc1ccc(cc1)C(=O)C 1458a_200000217202_200000210301 [0,1,0,0,0,0|3,0,0]=4 1321 B15R1.1030 CCOCCOc1ccc(cc1)C(=O)C 34a_100000185113_100000210147 [0,1,0,0,0,0|3,0,0]=4 1322 B15R1.1030 CCOCCOc1ccc(cc1)C(=O)C 7a_100000185113_100011215890 [0,1,0,0,0,0|3,0,0]=4 1323 B15R1.1030 CCOCCOc1ccc(cc1)C(=O)N 34a_100000746352_100000210147 [0,1,0,0,0,0|3,0,0]=4 1324 B15R1.1030 CCOCCOc1ccc(cc1)C(=O)N 7a_100000746352_100011215890 [0,1,0,0,0,0|3,0,0]=4 1325 B15R1.1030 CCOCCOc1ccc(cc1)C(=O)[13CH3] 1458a_200000217202_200025704644 [0,1,0,0,0,0|3,0,0]=4 1326 B15R1.1030 CCOCCOc1ccc(cc1)S(=O)C 34a_200000064373_100000210147 [0,1,0,0,0,0|3,0,0]=4 1327 B15R1.1030 CCOCCOc1ccc(cc1)S(=O)C 7a_200000064373_100011215890 [0,1,0,0,0,0|3,0,0]=4 1328 B15R1.1030 CCOCCOc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_100000210147 [0,1,0,0,0,0|1,0,0]=2 1329 B15R1.1030 CCOCCOc1ccc(cc1)[N+](=O)[O-] 34a_100000193241_100000210202 [0,1,0,0,0,0|1,0,0]=2 1330 B15R1.1030 CCOCCOc1ccc(cc1)[N+](=O)[O-] 34a_100121572206_100000742347 [0,1,0,0,0,0|1,0,0]=2 1331 B15R1.1030 CCOCCOc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_100011215890 [0,1,0,0,0,0|1,0,0]=2 1332 B15R1.1030 CCOCCOc1ccc(cc1)[N+](=O)[O-] 7a_100000193241_100000210202 [0,1,0,0,0,0|1,0,0]=2 1333 B15R1.1030 CCOCCOc1ccc(cn1)[N+](=O)[O-] 34a_100000040108_100000210202 [0,1,0,0,0,0|2,0,0]=3 1334 B15R1.1030 CCOCCOc1ccc(nc1)[N+](=O)[O-] 7a_100000060138_100011215890 [0,1,0,0,0,0|2,0,0]=3 1335 B15R1.1030 CCOCCSc1ccc(cc1)[N+](=O)[O-] 7a_100000156324_100000210202 [0,1,0,0,0,0|1,1,0]=3 1336 B15R1.1030 CCOCSCc1ccc(cc1)[N+](=O)[O-] 62a_100000739092_100000184243 [0,1,0,0,0,0|2,1,0]=4 1337 B15R1.1030 CCSCCCc1ccc(cc1)[N+](=O)[O-] 62a_100000210202_100010167727 [0,1,0,0,0,0|2,0,0]=3 1338 B15R1.1030 CCSCCNc1ccc(cc1)[N+](=O)[O-] 2230a_100015195142_100000757381 [0,1,0,0,0,0|2,0,0]=3 1339 B15R1.1030 CCSCCNc1ccc(cc1)[N+](=O)[O-] 34a_100015195142_100000757381 [0,1,0,0,0,0|2,0,0]=3 1340 B15R1.1030 CCSCCOc1ccc(cc1)C(=O)C 34a_100000185113_100000757381 [0,1,0,0,0,0|3,0,0]=4 1341 B15R1.1030 CCSCCOc1ccc(cc1)C(=O)C 7a_100000185113_100000757381 [0,1,0,0,0,0|3,0,0]=4 1342 B15R1.1030 CCSCCOc1ccc(cc1)C(=O)N 34a_100000746352_100000757381 [0,1,0,0,0,0|3,0,0]=4 1343 B15R1.1030 CCSCCOc1ccc(cc1)C(=O)N 7a_100000746352_100000757381 [0,1,0,0,0,0|3,0,0]=4 1344 B15R1.1030 CCSCCOc1ccc(cc1)S(=O)C 34a_200000064373_100000757381 [0,1,0,0,0,0|3,0,0]=4 1345 B15R1.1030 CCSCCOc1ccc(cc1)S(=O)C 7a_200000064373_100000757381 [0,1,0,0,0,0|3,0,0]=4 1346 B15R1.1030 CCSCCOc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_100000757381 [0,1,0,0,0,0|1,0,0]=2 1347 B15R1.1030 CCSCCOc1ccc(cc1)[N+](=O)[O-] 62a_100000210202_100000742347 [0,1,0,0,0,0|1,0,0]=2 1348 B15R1.1030 CCSCCOc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_100000757381 [0,1,0,0,0,0|1,0,0]=2 1349 B15R1.1030 CCSCCOc1ccc(nc1)[N+](=O)[O-] 7a_100000060138_100000757381 [0,1,0,0,0,0|2,0,0]=3 1350 B15R1.1030 CN(C)c1ccc(cc1)COCCCO 34a_100000238745_100000230001 [0,1,0,0,0,0|2,0,1]=4 1351 B15R1.1030 CN(C)c1ccc(cc1)OCCCCO 34a_100000718910_100011216708 [0,1,0,0,0,0|2,0,1]=4 1352 B15R1.1030 CNCCCOc1ccc(cc1)[N+](=O)[O-] 2230a_106832991635_100000743267 [0,1,0,0,0,0|1,0,0]=2 1353 B15R1.1030 CNCCCOc1ccc(cc1)[N+](=O)[O-] 34a_100102657272_100000743267 [0,1,0,0,0,0|1,0,0]=2 1354 B15R1.1030 CNCCCOc1ccc(cc1)[N+](=O)[O-] 7a_106832991635_100000743267 [0,1,0,0,0,0|1,0,0]=2 1355 B15R1.1030 COCCCCc1ccc(cc1)[N+](=O)[O-] 34a_200000039267_200000210301 [0,1,0,0,0,0|1,0,0]=2 1356 B15R1.1030 COCCCCc1ccc(cc1)[N+](=O)[O-] 7a_200000039267_200000210301 [0,1,0,0,0,0|1,0,0]=2 1357 B15R1.1030 COCCCNc1ccc(cc1)C(=O)N 27a_100150723488_100000162191 [0,1,0,0,0,0|3,0,0]=4 1358 B15R1.1030 COCCCNc1ccc(cc1)C(=O)N 34a_100000210537_100000740836 [0,1,0,0,0,0|3,0,0]=4 1359 B15R1.1030 COCCCNc1ccc(cc1)[N+](=O)[O-] 2230a_100015195142_100000740836 [0,1,0,0,0,0|1,0,0]=2 1360 B15R1.1030 COCCCNc1ccc(cc1)[N+](=O)[O-] 34a_100015195142_100000740836 [0,1,0,0,0,0|1,0,0]=2 1361 B15R1.1030 COCCCNc1ccc(cc1)[N+](=O)[O-] 34a_200000156464_200000210301 [0,1,0,0,0,0|1,0,0]=2 1362 B15R1.1030 COCCCOc1ccc(cc1)B(O)O 34a_100138415774_200010204076 [0,1,0,0,0,0|1,0,2]=4 1363 B15R1.1030 COCCCOc1ccc(cc1)C(=O)C 1458a_100000684957_200000210301 [0,1,0,0,0,0|2,0,0]=3 1364 B15R1.1030 COCCCOc1ccc(cc1)C(=O)C 34a_100000185113_100000740836 [0,1,0,0,0,0|2,0,0]=3 1365 B15R1.1030 COCCCOc1ccc(cc1)C(=O)C 7a_100000185113_100000740836 [0,1,0,0,0,0|2,0,0]=3 1366 B15R1.1030 COCCCOc1ccc(cc1)C(=O)N 34a_100000746352_100000740836 [0,1,0,0,0,0|2,0,0]=3 1367 B15R1.1030 COCCCOc1ccc(cc1)C(=O)N 7a_100000746352_100000740836 [0,1,0,0,0,0|2,0,0]=3 1368 B15R1.1030 COCCCOc1ccc(cc1)C(=O)[13CH3] 1458a_100000684957_200025704644 [0,1,0,0,0,0|2,0,0]=3 1369 B15R1.1030 COCCCOc1ccc(cc1)C(C)C 34a_100000181308_100000740836 [0,1,0,0,0,0|3,0,0]=4 1370 B15R1.1030 COCCCOc1ccc(cc1)C(C)C 7a_100000181308_100000740836 [0,1,0,0,0,0|3,0,0]=4 1371 B15R1.1030 COCCCOc1ccc(cc1)C(C)O 34a_100000754508_100000740836 [0,1,0,0,0,0|2,0,1]=4 1372 B15R1.1030 COCCCOc1ccc(cc1)C(C)O 7a_100000754508_100000740836 [0,1,0,0,0,0|2,0,1]=4 1373 B15R1.1030 COCCCOc1ccc(cc1)N(C)C 34a_100000718910_100000740836 [0,1,0,0,0,0|2,0,1]=4 1374 B15R1.1030 COCCCOc1ccc(cc1)S(=O)C 34a_200000064373_100000740836 [0,1,0,0,0,0|2,0,0]=3 1375 B15R1.1030 COCCCOc1ccc(cc1)S(=O)C 7a_200000064373_100000740836 [0,1,0,0,0,0|2,0,0]=3 1376 B15R1.1030 COCCCOc1ccc(cc1)[C@H](C)N 34a_100161106496_100000740836 [0,1,0,0,0,0|3,0,0]=4 1377 B15R1.1030 COCCCOc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_100000740836 [0,1,0,0,0,0|0,0,0]=1 1378 B15R1.1030 COCCCOc1ccc(cc1)[N+](=O)[O-] 34a_100138415774_100000743267 [0,1,0,0,0,0|0,0,0]=1 1379 B15R1.1030 COCCCOc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_100000740836 [0,1,0,0,0,0|0,0,0]=1 1380 B15R1.1030 COCCCOc1ccc(cc1)[S+](C)C 34a_100010188728_100000740836 [0,1,0,0,0,0|3,0,0]=4 1381 B15R1.1030 COCCCOc1ccc(cc1)[S+](C)C 7a_100010188728_100000740836 [0,1,0,0,0,0|3,0,0]=4 1382 B15R1.1030 COCCCOc1ccc(nc1)C(=O)C 34a_100012001710_100000740836 [0,1,0,0,0,0|3,0,0]=4 1383 B15R1.1030 COCCCOc1ccc(nc1)C(=O)C 7a_100012001710_100000740836 [0,1,0,0,0,0|3,0,0]=4 1384 B15R1.1030 COCCCOc1ccc(nc1)[N+](=O)[O-] 7a_100000060138_100000740836 [0,1,0,0,0,0|1,0,0]=2 1385 B15R1.1030 COCCCSc1ccc(cc1)C(=O)C 62a_100000185465_100000709357 [0,1,0,0,0,0|2,1,0]=4 1386 B15R1.1030 COCCCSc1ccc(cc1)C(=O)C 62a_100000709357_100000185465 [0,1,0,0,0,0|2,1,0]=4 1387 B15R1.1030 COCCCSc1ccc(cc1)C(=O)N 62a_100000162191_100000709357 [0,1,0,0,0,0|2,1,0]=4 1388 B15R1.1030 COCCCSc1ccc(cc1)C(=O)N 62a_100000709357_100000162191 [0,1,0,0,0,0|2,1,0]=4 1389 B15R1.1030 COCCCSc1ccc(cc1)S(=O)C 62a_100009816266_100000709357 [0,1,0,0,0,0|2,1,0]=4 1390 B15R1.1030 COCCNCc1ccc(cc1)[N+](=O)[O-] 207a_100000209980_100000189386 [0,1,0,0,0,0|2,0,0]=3 1391 B15R1.1030 COCCNCc1ccc(cc1)[N+](=O)[O-] 2230a_100000209980_100000181861 [0,1,0,0,0,0|2,0,0]=3 1392 B15R1.1030 COCCNCc1ccc(cc1)[N+](=O)[O-] 2230a_100000742766_100011201679 [0,1,0,0,0,0|2,0,0]=3 1393 B15R1.1030 COCCNCc1ccc(cc1)[N+](=O)[O-] 270004a_100000209980_100000189386 [0,1,0,0,0,0|2,0,0]=3 1394 B15R1.1030 COCCNCc1ccc(cc1)[N+](=O)[O-] 34a_100000742766_100011201679 [0,1,0,0,0,0|2,0,0]=3 1395 B15R1.1030 COCCOCc1ccc(cc1)[N+](=O)[O-] 34a_100000210237_100000181861 [0,1,0,0,0,0|2,0,0]=3 1396 B15R1.1030 COCCOCc1ccc(cc1)[N+](=O)[O-] 34a_100000211695_100011201679 [0,1,0,0,0,0|2,0,0]=3 1397 B15R1.1030 COCCSCc1ccc(cc1)[N+](=O)[O-] 62a_100000233755_100000184243 [0,1,0,0,0,0|2,0,0]=3 1398 B15R1.1030 COCNCCc1ccc(cc1)[N+](=O)[O-] 2230a_100000744123_100000766300 [0,1,0,0,0,0|2,0,0]=3 1399 B15R1.1030 COCSCCc1ccc(cc1)[N+](=O)[O-] 62a_100000766300_100000736421 [0,1,0,0,0,0|2,0,0]=3 1400 B15R1.1030 CS(=O)c1ccc(cc1)OCC#CCO 34a_200000064373_200000047223 [0,1,0,0,0,0|2,0,1]=4 1401 B15R1.1030 CS(=O)c1ccc(cc1)OCC#CCO 7a_200000064373_200000047223 [0,1,0,0,0,0|2,0,1]=4 1402 B15R1.1030 CS(=O)c1ccc(cc1)OCCCC#N 7a_200000064373_100000687738 [0,1,0,0,0,0|3,0,0]=4 1403 B15R1.1030 CS(=O)c1ccc(cc1)OCCCC=O 7a_200000064373_200011292268 [0,1,0,0,0,0|2,0,1]=4 1404 B15R1.1030 CS(=O)c1ccc(cc1)OCCCCF 34a_200000064373_100000729493 [0,1,0,0,0,0|3,0,0]=4 1405 B15R1.1030 CS(=O)c1ccc(cc1)OCCCCF 7a_200000064373_100000729493 [0,1,0,0,0,0|3,0,0]=4 1406 B15R1.1030 CS(=O)c1ccc(cc1)OCCCCO 34a_200000064373_100011216708 [0,1,0,0,0,0|2,0,0]=3 1407 B15R1.1030 CS(=O)c1ccc(cc1)OCCCCO 7a_200000064373_100000210776 [0,1,0,0,0,0|2,0,0]=3 1408 B15R1.1030 CS(=O)c1ccc(cc1)SCCCCO 62a_100009816266_100000210776 [0,1,0,0,0,0|2,1,0]=4 1409 B15R1.1030 CSCCCOc1ccc(cc1)[N+](=O)[O-] 62a_100000743267_200000210301 [0,1,0,0,0,0|0,1,0]=2 1410 B15R1.1030 CSCCCOc1ccc(cc1)[N+](=O)[O-] 62a_200000210301_100000743267 [0,1,0,0,0,0|0,1,0]=2 1411 B15R1.1030 CSCCNCc1ccc(cc1)[N+](=O)[O-] 207a_100020590264_100000189386 [0,1,0,0,0,0|2,1,0]=4 1412 B15R1.1030 CSCCNCc1ccc(cc1)[N+](=O)[O-] 2230a_100000742766_100000751147 [0,1,0,0,0,0|2,1,0]=4 1413 B15R1.1030 CSCCNCc1ccc(cc1)[N+](=O)[O-] 2230a_100020590264_100000181861 [0,1,0,0,0,0|2,1,0]=4 1414 B15R1.1030 CSCCNCc1ccc(cc1)[N+](=O)[O-] 270004a_100020590264_100000189386 [0,1,0,0,0,0|2,1,0]=4 1415 B15R1.1030 CSCCNCc1ccc(cc1)[N+](=O)[O-] 34a_100000742766_100000212216 [0,1,0,0,0,0|2,1,0]=4 1416 B15R1.1030 CSCCOCc1ccc(cc1)[N+](=O)[O-] 34a_100000211695_100000212216 [0,1,0,0,0,0|2,0,0]=3 1417 B15R1.1030 CSCCOCc1ccc(cc1)[N+](=O)[O-] 34a_100000230434_100000181861 [0,1,0,0,0,0|2,0,0]=3 1418 B15R1.1030 CSCCOCc1ccc(cc1)[N+](=O)[O-] 7a_100000230434_100000181861 [0,1,0,0,0,0|2,0,0]=3 1419 B15R1.1030 CSCCSCc1ccc(cc1)[N+](=O)[O-] 62a_100000212216_100000184243 [0,1,0,0,0,0|2,1,0]=4 1420 B15R1.1030 CSCNCCc1ccc(cc1)[N+](=O)[O-] 2230a_100000744123_100011218213 [0,1,0,0,0,0|2,1,0]=4 1421 B15R1.1030 CSCNCCc1ccc(cc1)[N+](=O)[O-] 34a_100000744123_100011218213 [0,1,0,0,0,0|2,1,0]=4 1422 B15R1.1030 CSCOCCc1ccc(cc1)[N+](=O)[O-] 34a_100000704122_100011218213 [0,1,0,0,0,0|2,1,0]=4 1423 B15R1.1030 CSCSCCc1ccc(cc1)[N+](=O)[O-] 62a_100011218213_100000736421 [0,1,0,0,0,0|2,1,0]=4 1424 B15R1.1030 C[C@H](N)c1ccc(cc1)OCCCCO 34a_100161106496_100011216708 [0,1,0,0,0,0|3,0,0]=4 1425 B15R1.1030 C[S+](C)c1ccc(cc1)OCCCCO 34a_100010188728_100011216708 [0,1,0,0,0,0|3,0,0]=4 1426 B15R1.1030 C[S+](C)c1ccc(cc1)OCCCCO 7a_100010188728_100000210776 [0,1,0,0,0,0|3,0,0]=4 1427 B15R1.1030 N#CCCCNc1ccc(cc1)[N+](=O)[O-] 2230a_100015195142_100000687738 [0,1,0,0,0,0|2,0,0]=3 1428 B15R1.1030 N#CCCCOc1ccc(cc1)C(=O)N 7a_100000746352_100000687738 [0,1,0,0,0,0|3,0,0]=4 1429 B15R1.1030 N#CCCCOc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_100000687738 [0,1,0,0,0,0|1,0,0]=2 1430 B15R1.1030 N#CCCCOc1ccc(nc1)[N+](=O)[O-] 7a_100000060138_100000687738 [0,1,0,0,0,0|2,0,0]=3 1431 B15R1.1030 N#CCCNCc1ccc(cc1)[N+](=O)[O-] 2230a_100000742766_100011215226 [0,1,0,0,0,0|2,0,1]=4 1432 B15R1.1030 N#CCCNCc1ccc(cc1)[N+](=O)[O-] 270004a_100000720768_100000189386 [0,1,0,0,0,0|2,0,1]=4 1433 B15R1.1030 N#CCCSCc1ccc(cc1)[N+](=O)[O-] 62a_100011215226_100000184243 [0,1,0,0,0,0|1,1,1]=4 1434 B15R1.1030 N#CCNCCc1ccc(cc1)[N+](=O)[O-] 2230a_100000744123_100011215382 [0,1,0,0,0,0|2,0,1]=4 1435 B15R1.1030 N#CCOCCc1ccc(cc1)[N+](=O)[O-] 7a_100000704122_100011215382 [0,1,0,0,0,0|2,0,1]=4 1436 B15R1.1030 N#CCSCCc1ccc(cc1)[N+](=O)[O-] 62a_100011215382_100000736421 [0,1,0,0,0,0|2,0,1]=4 1437 B15R1.1030 NC(=O)c1ccc(cc1)CNCCCO 207a_100000182051_100000038677 [0,1,0,0,0,0|3,0,0]=4 1438 B15R1.1030 NC(=O)c1ccc(cc1)CNCCCO 270004a_100000182051_100000038677 [0,1,0,0,0,0|3,0,0]=4 1439 B15R1.1030 NC(=O)c1ccc(cc1)COCCCBr 34a_100011217188_100000231043 [0,1,0,0,0,0|3,0,0]=4 1440 B15R1.1030 NC(=O)c1ccc(cc1)COCCCCl 34a_100000230001_100000231043 [0,1,0,0,0,0|3,0,0]=4 1441 B15R1.1030 NC(=O)c1ccc(cc1)COCCCF 34a_100000162016_100011934791 [0,1,0,0,0,0|3,0,0]=4 1442 B15R1.1030 NC(=O)c1ccc(cc1)COCCCF 34a_100000759539_100000231043 [0,1,0,0,0,0|3,0,0]=4 1443 B15R1.1030 NC(=O)c1ccc(cc1)COCCCF 7a_100000162016_100011934791 [0,1,0,0,0,0|3,0,0]=4 1444 B15R1.1030 NC(=O)c1ccc(cc1)COCCCO 34a_100000162016_100000230001 [0,1,0,0,0,0|2,0,0]=3 1445 B15R1.1030 NC(=O)c1ccc(cc1)COCCCO 7a_100000162016_100011215043 [0,1,0,0,0,0|2,0,0]=3 1446 B15R1.1030 NC(=O)c1ccc(cc1)CSCCCO 62a_100000231043_100011215043 [0,1,0,0,0,0|2,1,0]=4 1447 B15R1.1030 NC(=O)c1ccc(cc1)CSCCCO 62a_100011215043_100000231043 [0,1,0,0,0,0|2,1,0]=4 1448 B15R1.1030 NC(=O)c1ccc(cc1)NCCCCO 27a_100000750430_100000162191 [0,1,0,0,0,0|3,0,0]=4 1449 B15R1.1030 NC(=O)c1ccc(cc1)NCCCCO 34a_100000210537_100011216708 [0,1,0,0,0,0|3,0,0]=4 1450 B15R1.1030 NC(=O)c1ccc(cc1)OCC#CCO 34a_100000746352_200000047223 [0,1,0,0,0,0|2,0,1]=4 1451 B15R1.1030 NC(=O)c1ccc(cc1)OCC#CCO 7a_100000746352_200000047223 [0,1,0,0,0,0|2,0,1]=4 1452 B15R1.1030 NC(=O)c1ccc(cc1)OCCCC=O 7a_100000746352_200011292268 [0,1,0,0,0,0|2,0,1]=4 1453 B15R1.1030 NC(=O)c1ccc(cc1)OCCCCF 34a_100000746352_100000729493 [0,1,0,0,0,0|3,0,0]=4 1454 B15R1.1030 NC(=O)c1ccc(cc1)OCCCCF 7a_100000746352_100000729493 [0,1,0,0,0,0|3,0,0]=4 1455 B15R1.1030 NC(=O)c1ccc(cc1)OCCCCO 34a_100000746352_100011216708 [0,1,0,0,0,0|2,0,0]=3 1456 B15R1.1030 NC(=O)c1ccc(cc1)OCCCCO 7a_100000746352_100000210776 [0,1,0,0,0,0|2,0,0]=3 1457 B15R1.1030 NC(=O)c1ccc(cc1)SCCCCO 62a_100000162191_100000210776 [0,1,0,0,0,0|2,1,0]=4 1458 B15R1.1030 NC(=O)c1ccc(cc1)SCCCCO 62a_100000210776_100000162191 [0,1,0,0,0,0|2,1,0]=4 1459 B15R1.1030 NCCCOCc1ccc(cc1)C(=O)N 34a_100000182051_100000231043 [0,1,0,0,0,0|3,0,0]=4 1460 B15R1.1030 NCCCOCc1ccc(cc1)[N+](=O)[O-] 34a_100000182051_100000181861 [0,1,0,0,0,0|1,0,0]=2 1461 B15R1.1030 NCCOCCc1ccc(cc1)[N+](=O)[O-] 34a_100000210304_100000736421 [0,1,0,0,0,0|2,0,0]=3 1462 B15R1.1030 NOCCOCc1ccc(cc1)[N+](=O)[O-] 34a_100000700252_100000181861 [0,1,0,0,0,0|2,0,0]=3 1463 B15R1.1030 O=C(O)c1ccc(cc1)CCNCCO 269956a_100000704756_100000211926 [0,1,0,0,0,0|2,0,1]=4 1464 B15R1.1030 O=C(O)c1ccc(cc1)CNCCCO 269956a_100000181780_100011215043 [0,1,0,0,0,0|2,0,1]=4 1465 B15R1.1030 O=C(O)c1ccc(cc1)OCCNCF 269956a_100015187144_100015361967 [0,1,0,0,0,0|2,0,1]=4 1466 B15R1.1030 O=CCCCNc1ccc(cc1)[N+](=O)[O-] 2230a_100015195142_200011292268 [0,1,0,0,0,0|1,0,1]=3 1467 B15R1.1030 O=CCCCOc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_200011292268 [0,1,0,0,0,0|0,0,1]=2 1468 B15R1.1030 O=CCCCOc1ccc(nc1)[N+](=O)[O-] 7a_100000060138_200011292268 [0,1,0,0,0,0|1,0,1]=3 1469 B15R1.1030 O=CCNCCc1ccc(cc1)[N+](=O)[O-] 2230a_100000744123_200015260668 [0,1,0,0,0,0|1,0,2]=4 1470 B15R1.1030 O=CCNCCc1ccc(cc1)[N+](=O)[O-] 34a_100000744123_200009817547 [0,1,0,0,0,0|1,0,2]=4 1471 B15R1.1030 O=CCOCCc1ccc(cc1)[N+](=O)[O-] 34a_100000704122_200009817547 [0,1,0,0,0,0|1,0,2]=4 1472 B15R1.1030 O=CCOCCc1ccc(cc1)[N+](=O)[O-] 7a_100000704122_200015260668 [0,1,0,0,0,0|1,0,2]=4 1473 B15R1.1030 O=CCSCCc1ccc(cc1)[N+](=O)[O-] 62a_200015260668_100000736421 [0,1,0,0,0,0|1,0,2]=4 1474 B15R1.1030 O=[N+]([O-])c1ccc(cc1)/C=C\COCF 34a_100016273823_100015361967 [0,1,0,0,0,0|2,0,1]=4 1475 B15R1.1030 O=[N+]([O-])c1ccc(cc1)C#CCOCF 34a_100000038321_100015361967 [0,1,0,0,0,0|2,0,1]=4 1476 B15R1.1030 O=[N+]([O-])c1ccc(cc1)C#CCOCF 7a_100000038321_100015361967 [0,1,0,0,0,0|2,0,1]=4 1477 B15R1.1030 O=[N+]([O-])c1ccc(cc1)C=NNCCO 4a_100000210001_100000189386 [0,1,0,0,0,0|2,0,0]=3 1478 B15R1.1030 O=[N+]([O-])c1ccc(cc1)CCCOCF 34a_100000090596_100015361967 [0,1,0,0,0,0|2,0,0]=3 1479 B15R1.1030 O=[N+]([O-])c1ccc(cc1)CCCOCF 7a_100000090596_100015361967 [0,1,0,0,0,0|2,0,0]=3 1480 B15R1.1030 O=[N+]([O-])c1ccc(cc1)CCCSCF 62a_100015361967_100010167727 [0,1,0,0,0,0|2,0,0]=3 1481 B15R1.1030 O=[N+]([O-])c1ccc(cc1)CCNCCF 2230a_100000744123_100011217306 [0,1,0,0,0,0|2,0,0]=3 1482 B15R1.1030 O=[N+]([O-])c1ccc(cc1)CCNCCF 34a_100000724931_100000736421 [0,1,0,0,0,0|2,0,0]=3 1483 B15R1.1030 O=[N+]([O-])c1ccc(cc1)CCNCCF 34a_100000744123_100011217306 [0,1,0,0,0,0|2,0,0]=3 1484 B15R1.1030 O=[N+]([O-])c1ccc(cc1)CCNCCO 2230a_100000744123_100000211926 [0,1,0,0,0,0|1,0,0]=2 1485 B15R1.1030 O=[N+]([O-])c1ccc(cc1)CCNCCO 2230a_100016997473_100000736421 [0,1,0,0,0,0|1,0,0]=2 1486 B15R1.1030 O=[N+]([O-])c1ccc(cc1)CCNCCO 34a_100000744123_100000211926 [0,1,0,0,0,0|1,0,0]=2 1487 B15R1.1030 O=[N+]([O-])c1ccc(cc1)CCNCCO 34a_100016990907_100000736421 [0,1,0,0,0,0|1,0,0]=2 1488 B15R1.1030 O=[N+]([O-])c1ccc(cc1)CCOCCBr 34a_100000211926_100000736421 [0,1,0,0,0,0|2,0,0]=3 1489 B15R1.1030 O=[N+]([O-])c1ccc(cc1)CCOCCF 34a_100000704122_100011217306 [0,1,0,0,0,0|2,0,0]=3 1490 B15R1.1030 O=[N+]([O-])c1ccc(cc1)CCOCCF 7a_100000704122_100011217306 [0,1,0,0,0,0|2,0,0]=3 1491 B15R1.1030 O=[N+]([O-])c1ccc(cc1)CCOCCO 34a_100000704122_100000211926 [0,1,0,0,0,0|1,0,0]=2 1492 B15R1.1030 O=[N+]([O-])c1ccc(cc1)CCOCCO 7a_100000704122_100000211926 [0,1,0,0,0,0|1,0,0]=2 1493 B15R1.1030 O=[N+]([O-])c1ccc(cc1)CCSCCF 62a_100011217306_100000736421 [0,1,0,0,0,0|2,0,0]=3 1494 B15R1.1030 O=[N+]([O-])c1ccc(cc1)CCSCCO 62a_100000211926_100000736421 [0,1,0,0,0,0|1,0,0]=2 1495 B15R1.1030 O=[N+]([O-])c1ccc(cc1)CNCCCF 207a_100015189416_100000189386 [0,1,0,0,0,0|2,0,0]=3 1496 B15R1.1030 O=[N+]([O-])c1ccc(cc1)CNCCCF 2230a_100000742766_100011934791 [0,1,0,0,0,0|2,0,0]=3 1497 B15R1.1030 O=[N+]([O-])c1ccc(cc1)CNCCCF 2230a_100015189416_100000181861 [0,1,0,0,0,0|2,0,0]=3 1498 B15R1.1030 O=[N+]([O-])c1ccc(cc1)CNCCCF 270004a_100015189416_100000189386 [0,1,0,0,0,0|2,0,0]=3 1499 B15R1.1030 O=[N+]([O-])c1ccc(cc1)CNCCCF 34a_100000742766_100011934791 [0,1,0,0,0,0|2,0,0]=3 1500 B15R1.1030 O=[N+]([O-])c1ccc(cc1)CNCCCF 34a_100015189416_100000181861 [0,1,0,0,0,0|2,0,0]=3 1501 B15R1.1030 O=[N+]([O-])c1ccc(cc1)CNCCCO 207a_100000182051_100000189386 [0,1,0,0,0,0|1,0,0]=2 1502 B15R1.1030 O=[N+]([O-])c1ccc(cc1)CNCCCO 2230a_100000742766_100000230001 [0,1,0,0,0,0|1,0,0]=2 1503 B15R1.1030 O=[N+]([O-])c1ccc(cc1)CNCCCO 270004a_100000182051_100000189386 [0,1,0,0,0,0|1,0,0]=2 1504 B15R1.1030 O=[N+]([O-])c1ccc(cc1)CNCCCO 34a_100000742766_100000230001 [0,1,0,0,0,0|1,0,0]=2 1505 B15R1.1030 O=[N+]([O-])c1ccc(cc1)COCCCBr 34a_100011217188_100000181861 [0,1,0,0,0,0|1,0,0]=2 1506 B15R1.1030 O=[N+]([O-])c1ccc(cc1)COCCCCl 34a_100000230001_100000181861 [0,1,0,0,0,0|1,0,0]=2 1507 B15R1.1030 O=[N+]([O-])c1ccc(cc1)COCCCF 34a_100000211695_100011934791 [0,1,0,0,0,0|1,0,0]=2 1508 B15R1.1030 O=[N+]([O-])c1ccc(cc1)COCCCF 34a_100000759539_100000181861 [0,1,0,0,0,0|1,0,0]=2 1509 B15R1.1030 O=[N+]([O-])c1ccc(cc1)COCCCO 34a_100000211695_100000230001 [0,1,0,0,0,0|0,0,0]=1 1510 B15R1.1030 O=[N+]([O-])c1ccc(cc1)CSCCCF 62a_100011934791_100000184243 [0,1,0,0,0,0|1,1,0]=3 1511 B15R1.1030 O=[N+]([O-])c1ccc(cc1)CSCCCO 62a_100011215043_100000184243 [0,1,0,0,0,0|0,1,0]=2 1512 B15R1.1030 O=[N+]([O-])c1ccc(cc1)NCC#CCO 2230a_100015195142_200000047223 [0,1,0,0,0,0|1,0,1]=3 1513 B15R1.1030 O=[N+]([O-])c1ccc(cc1)NCC#CCO 34a_100015195142_200000047223 [0,1,0,0,0,0|1,0,1]=3 1514 B15R1.1030 O=[N+]([O-])c1ccc(cc1)NCCCCF 2230a_100015195142_100000729493 [0,1,0,0,0,0|2,0,0]=3 1515 B15R1.1030 O=[N+]([O-])c1ccc(cc1)NCCCCF 34a_100015195142_100000729493 [0,1,0,0,0,0|2,0,0]=3 1516 B15R1.1030 O=[N+]([O-])c1ccc(cc1)NCCCCO 2230a_100015195142_100000210776 [0,1,0,0,0,0|1,0,0]=2 1517 B15R1.1030 O=[N+]([O-])c1ccc(cc1)NCCCCO 34a_100015195142_100011216708 [0,1,0,0,0,0|1,0,0]=2 1518 B15R1.1030 O=[N+]([O-])c1ccc(cc1)OCC#CCO 34a_100000185810_200000047223 [0,1,0,0,0,0|0,0,1]=2 1519 B15R1.1030 O=[N+]([O-])c1ccc(cc1)OCC#CCO 7a_100000185810_200000047223 [0,1,0,0,0,0|0,0,1]=2 1520 B15R1.1030 O=[N+]([O-])c1ccc(cc1)OCCCCF 34a_100000185810_100000729493 [0,1,0,0,0,0|1,0,0]=2 1521 B15R1.1030 O=[N+]([O-])c1ccc(cc1)OCCCCF 7a_100000185810_100000729493 [0,1,0,0,0,0|1,0,0]=2 1522 B15R1.1030 O=[N+]([O-])c1ccc(cc1)OCCCCO 34a_100000185810_100011216708 [0,1,0,0,0,0|0,0,0]=1 1523 B15R1.1030 O=[N+]([O-])c1ccc(cc1)OCCCCO 7a_100000185810_100000210776 [0,1,0,0,0,0|0,0,0]=1 1524 B15R1.1030 O=[N+]([O-])c1ccc(cc1)OCCNCF 34a_100000754164_100015361967 [0,1,0,0,0,0|1,0,0]=2 1525 B15R1.1030 O=[N+]([O-])c1ccc(cc1)OCCOCF 34a_100000193241_100015361967 [0,1,0,0,0,0|1,0,0]=2 1526 B15R1.1030 O=[N+]([O-])c1ccc(cc1)OCCOCF 7a_100000193241_100015361967 [0,1,0,0,0,0|1,0,0]=2 1527 B15R1.1030 O=[N+]([O-])c1ccc(cc1)OCCSCF 62a_100015361967_100000742347 [0,1,0,0,0,0|1,0,0]=2 1528 B15R1.1030 O=[N+]([O-])c1ccc(cc1)SCCOCF 7a_100000156324_100015361967 [0,1,0,0,0,0|1,1,0]=3 1529 B15R1.1030 O=[N+]([O-])c1ccc(cn1)OCC#CCO 7a_100000060138_200000047223 [0,1,0,0,0,0|1,0,1]=3 1530 B15R1.1030 O=[N+]([O-])c1ccc(cn1)OCCCCF 7a_100000060138_100000729493 [0,1,0,0,0,0|2,0,0]=3 1531 B15R1.1030 O=[N+]([O-])c1ccc(cn1)OCCCCO 7a_100000060138_100000210776 [0,1,0,0,0,0|1,0,0]=2 1532 B15R1.1030 O=[N+]([O-])c1ccc(nc1)C=NNCCO 4a_100000210001_100000051062 [0,1,0,0,0,0|3,0,0]=4 1533 B15R1.1030 O=[N+]([O-])c1ccc(nc1)OCCOCF 34a_100000040108_100015361967 [0,1,0,0,0,0|2,0,0]=3 1534 B15R1.1030 [13CH3]OCCCCc1ccc(cc1)[N+](=O)[O-] 34a_200000039267_200025704644 [0,1,0,0,0,0|1,0,0]=2 1535 B15R1.1030 [13CH3]OCCCCc1ccc(cc1)[N+](=O)[O-] 7a_200000039267_200025704644 [0,1,0,0,0,0|1,0,0]=2 1536 B15R1.1030 [13CH3]OCCCNc1ccc(cc1)[N+](=O)[O-] 34a_200000156464_200025704644 [0,1,0,0,0,0|1,0,0]=2 1537 B15R1.1030 [13CH3]SCCCOc1ccc(cc1)[N+](=O)[O-] 62a_100000743267_200025704644 [0,1,0,0,0,0|0,1,0]=2 1538 B15R1.1030 [13CH3]SCCCOc1ccc(cc1)[N+](=O)[O-] 62a_200025704644_100000743267 [0,1,0,0,0,0|0,1,0]=2 1539 B15R1.1080 C=C(C)CCNc1ccc(cc1)[N+](=O)[O-] 2230a_100015195142_100000730704 [0,1,0,0,0,0|2,0,1]=4 1540 B15R1.1080 C=C(C)CCNc1ccc(cc1)[N+](=O)[O-] 34a_100015195142_100000730704 [0,1,0,0,0,0|2,0,1]=4 1541 B15R1.1080 C=C(C)CCOc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_100000730704 [0,1,0,0,0,0|1,0,1]=3 1542 B15R1.1080 C=C(C)CCOc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_100000730704 [0,1,0,0,0,0|1,0,1]=3 1543 B15R1.1080 C=C(C)CCOc1ccc(nc1)[N+](=O)[O-] 7a_100000060138_100000730704 [0,1,0,0,0,0|2,0,1]=4 1544 B15R1.1080 C=C(C)c1ccc(cc1)OCCC(C)O 34a_100009880102_100012276601 [0,1,0,0,0,0|3,0,0]=4 1545 B15R1.1080 C=C(C)c1ccc(cc1)OCCC(C)O 7a_100009880102_100012276601 [0,1,0,0,0,0|3,0,0]=4 1546 B15R1.1080 CC(=CCOc1ccc(cc1)[N+](=O)[O-])C 34a_100000185810_100000761012 [0,1,0,0,0,0|1,0,2]=4 1547 B15R1.1080 CC(=CCOc1ccc(cc1)[N+](=O)[O-])C 7a_100000185810_100000761012 [0,1,0,0,0,0|1,0,2]=4 1548 B15R1.1080 CC(=O)CCCc1ccc(cc1)[N+](=O)[O-] 1458a_100000070787_100010167727 [0,1,0,0,0,0|1,0,2]=4 1549 B15R1.1080 CC(=O)CCCc1ccc(cc1)[N+](=O)[O-] 1458a_100011214885_200000210301 [0,1,0,0,0,0|1,0,2]=4 1550 B15R1.1080 CC(=O)CCOc1ccc(cc1)[N+](=O)[O-] 1458a_100000070787_100000742347 [0,1,0,0,0,0|0,0,2]=3 1551 B15R1.1080 CC(=O)CCOc1ccc(cc1)[N+](=O)[O-] 1458a_100000738207_200000210301 [0,1,0,0,0,0|0,0,2]=3 1552 B15R1.1080 CC(=O)CCOc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_100000053229 [0,1,0,0,0,0|0,0,2]=3 1553 B15R1.1080 CC(=O)CCOc1ccc(nc1)[N+](=O)[O-] 7a_100000060138_100000053229 [0,1,0,0,0,0|1,0,2]=4 1554 B15R1.1080 CC(=O)OCOc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_100009813279 [0,1,0,0,0,0|1,0,2]=4 1555 B15R1.1080 CC(=O)c1ccc(cc1)OCCC(C)C 1458a_100000182916_200000210301 [0,1,0,0,0,0|3,0,0]=4 1556 B15R1.1080 CC(=O)c1ccc(cc1)OCCC(C)C 34a_100000185113_100000210312 [0,1,0,0,0,0|3,0,0]=4 1557 B15R1.1080 CC(=O)c1ccc(cc1)OCCC(C)C 7a_100000185113_100000210626 [0,1,0,0,0,0|3,0,0]=4 1558 B15R1.1080 CC(=O)c1ccc(cc1)OCCC(C)O 34a_100000185113_100012276601 [0,1,0,0,0,0|2,0,0]=3 1559 B15R1.1080 CC(=O)c1ccc(cc1)OCCC(C)O 7a_100000185113_100012276601 [0,1,0,0,0,0|2,0,0]=3 1560 B15R1.1080 CC(=O)c1ccc(cc1)SCCC(C)O 62a_100000185465_100012276601 [0,1,0,0,0,0|2,1,0]=4 1561 B15R1.1080 CC(=O)c1ccc(cc1)SCCC(C)O 62a_100012276601_100000185465 [0,1,0,0,0,0|2,1,0]=4 1562 B15R1.1080 CC(=O)c1ccc(cn1)OCCC(C)O 34a_100012001710_100012276601 [0,1,0,0,0,0|3,0,0]=4 1563 B15R1.1080 CC(=O)c1ccc(cn1)OCCC(C)O 7a_100012001710_100012276601 [0,1,0,0,0,0|3,0,0]=4 1564 B15R1.1080 CC(Br)COCc1ccc(cc1)[N+](=O)[O-] 34a_100012180447_100000181861 [0,1,0,0,0,0|3,0,0]=4 1565 B15R1.1080 CC(C)CCNc1ccc(cc1)[N+](=O)[O-] 2230a_100015195142_100000210312 [0,1,0,0,0,0|2,0,0]=3 1566 B15R1.1080 CC(C)CCNc1ccc(cc1)[N+](=O)[O-] 34a_100015195142_100000210312 [0,1,0,0,0,0|2,0,0]=3 1567 B15R1.1080 CC(C)CCOc1ccc(cc1)C(=O)N 34a_100000746352_100000210312 [0,1,0,0,0,0|3,0,0]=4 1568 B15R1.1080 CC(C)CCOc1ccc(cc1)C(=O)N 7a_100000746352_100000210626 [0,1,0,0,0,0|3,0,0]=4 1569 B15R1.1080 CC(C)CCOc1ccc(cc1)C(=O)[13CH3] 1458a_100000182916_200025704644 [0,1,0,0,0,0|3,0,0]=4 1570 B15R1.1080 CC(C)CCOc1ccc(cc1)S(=O)C 34a_200000064373_100000210312 [0,1,0,0,0,0|3,0,0]=4 1571 B15R1.1080 CC(C)CCOc1ccc(cc1)S(=O)C 7a_200000064373_100000210626 [0,1,0,0,0,0|3,0,0]=4 1572 B15R1.1080 CC(C)CCOc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_100000210312 [0,1,0,0,0,0|1,0,0]=2 1573 B15R1.1080 CC(C)CCOc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_100000210626 [0,1,0,0,0,0|1,0,0]=2 1574 B15R1.1080 CC(C)CCOc1ccc(nc1)[N+](=O)[O-] 7a_100000060138_100000210626 [0,1,0,0,0,0|2,0,0]=3 1575 B15R1.1080 CC(C)CNCc1ccc(cc1)[N+](=O)[O-] 207a_100000210953_100000189386 [0,1,0,0,0,0|3,0,0]=4 1576 B15R1.1080 CC(C)CNCc1ccc(cc1)[N+](=O)[O-] 2230a_100000210953_100000181861 [0,1,0,0,0,0|3,0,0]=4 1577 B15R1.1080 CC(C)CNCc1ccc(cc1)[N+](=O)[O-] 2230a_100000742766_100000210760 [0,1,0,0,0,0|3,0,0]=4 1578 B15R1.1080 CC(C)CNCc1ccc(cc1)[N+](=O)[O-] 26a_100000210953_100000185810 [0,1,0,0,0,0|3,0,0]=4 1579 B15R1.1080 CC(C)CNCc1ccc(cc1)[N+](=O)[O-] 270004a_100000210953_100000189386 [0,1,0,0,0,0|3,0,0]=4 1580 B15R1.1080 CC(C)CNCc1ccc(cc1)[N+](=O)[O-] 270004a_100000742766_100000210432 [0,1,0,0,0,0|3,0,0]=4 1581 B15R1.1080 CC(C)CNCc1ccc(cc1)[N+](=O)[O-] 34a_100000210953_100000181861 [0,1,0,0,0,0|3,0,0]=4 1582 B15R1.1080 CC(C)CNCc1ccc(cc1)[N+](=O)[O-] 34a_100000742766_100000210624 [0,1,0,0,0,0|3,0,0]=4 1583 B15R1.1080 CC(C)COCc1ccc(cc1)[N+](=O)[O-] 34a_100000210257_100000181861 [0,1,0,0,0,0|3,0,0]=4 1584 B15R1.1080 CC(C)COCc1ccc(cc1)[N+](=O)[O-] 34a_100000211695_100000210624 [0,1,0,0,0,0|3,0,0]=4 1585 B15R1.1080 CC(C)CSCc1ccc(cc1)[N+](=O)[O-] 62a_100000210624_100000184243 [0,1,0,0,0,0|3,0,0]=4 1586 B15R1.1080 CC(C)NCCc1ccc(cc1)[N+](=O)[O-] 2230a_100000744123_100000210206 [0,1,0,0,0,0|3,0,0]=4 1587 B15R1.1080 CC(C)NCCc1ccc(cc1)[N+](=O)[O-] 2230a_100138425928_100000736421 [0,1,0,0,0,0|3,0,0]=4 1588 B15R1.1080 CC(C)NCCc1ccc(cc1)[N+](=O)[O-] 34a_100000744123_100000210206 [0,1,0,0,0,0|3,0,0]=4 1589 B15R1.1080 CC(C)NCCc1ccc(cc1)[N+](=O)[O-] 34a_100138425928_100000736421 [0,1,0,0,0,0|3,0,0]=4 1590 B15R1.1080 CC(C)OCCc1ccc(cc1)[N+](=O)[O-] 34a_100000212225_100000736421 [0,1,0,0,0,0|3,0,0]=4 1591 B15R1.1080 CC(C)OCCc1ccc(cc1)[N+](=O)[O-] 34a_100000704122_100000210206 [0,1,0,0,0,0|3,0,0]=4 1592 B15R1.1080 CC(C)OCCc1ccc(cc1)[N+](=O)[O-] 7a_100000704122_100000210206 [0,1,0,0,0,0|3,0,0]=4 1593 B15R1.1080 CC(C)OCNc1ccc(cc1)[N+](=O)[O-] 2230a_100015195142_100000709892 [0,1,0,0,0,0|3,0,0]=4 1594 B15R1.1080 CC(C)OCNc1ccc(cc1)[N+](=O)[O-] 34a_100015195142_100000709892 [0,1,0,0,0,0|3,0,0]=4 1595 B15R1.1080 CC(C)OCOc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_100000709892 [0,1,0,0,0,0|2,0,0]=3 1596 B15R1.1080 CC(C)SCCc1ccc(cc1)[N+](=O)[O-] 62a_100000210206_100000736421 [0,1,0,0,0,0|3,0,0]=4 1597 B15R1.1080 CC(F)COCc1ccc(cc1)[N+](=O)[O-] 34a_100015925927_100000181861 [0,1,0,0,0,0|3,0,0]=4 1598 B15R1.1080 CC(O)CCNc1ccc(cc1)C(=O)N 27a_200000755665_100000162191 [0,1,0,0,0,0|3,0,0]=4 1599 B15R1.1080 CC(O)CCNc1ccc(cc1)C(=O)N 34a_100000210537_100012276601 [0,1,0,0,0,0|3,0,0]=4 1600 B15R1.1080 CC(O)CCNc1ccc(cc1)[N+](=O)[O-] 2230a_100015195142_100012276601 [0,1,0,0,0,0|1,0,0]=2 1601 B15R1.1080 CC(O)CCNc1ccc(cc1)[N+](=O)[O-] 34a_100015195142_100012276601 [0,1,0,0,0,0|1,0,0]=2 1602 B15R1.1080 CC(O)CCOc1ccc(cc1)C(=O)N 34a_100000746352_100012276601 [0,1,0,0,0,0|2,0,0]=3 1603 B15R1.1080 CC(O)CCOc1ccc(cc1)C(=O)N 7a_100000746352_100012276601 [0,1,0,0,0,0|2,0,0]=3 1604 B15R1.1080 CC(O)CCOc1ccc(cc1)C(C)C 34a_100000181308_100012276601 [0,1,0,0,0,0|3,0,0]=4 1605 B15R1.1080 CC(O)CCOc1ccc(cc1)C(C)C 7a_100000181308_100012276601 [0,1,0,0,0,0|3,0,0]=4 1606 B15R1.1080 CC(O)CCOc1ccc(cc1)C(C)O 34a_100000754508_100012276601 [0,1,0,0,0,0|2,0,1]=4 1607 B15R1.1080 CC(O)CCOc1ccc(cc1)C(C)O 7a_100000754508_100012276601 [0,1,0,0,0,0|2,0,1]=4 1608 B15R1.1080 CC(O)CCOc1ccc(cc1)N(C)C 34a_100000718910_100012276601 [0,1,0,0,0,0|2,0,1]=4 1609 B15R1.1080 CC(O)CCOc1ccc(cc1)S(=O)C 34a_200000064373_100012276601 [0,1,0,0,0,0|2,0,0]=3 1610 B15R1.1080 CC(O)CCOc1ccc(cc1)S(=O)C 7a_200000064373_100012276601 [0,1,0,0,0,0|2,0,0]=3 1611 B15R1.1080 CC(O)CCOc1ccc(cc1)[C@H](C)N 34a_100161106496_100012276601 [0,1,0,0,0,0|3,0,0]=4 1612 B15R1.1080 CC(O)CCOc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_100012276601 [0,1,0,0,0,0|0,0,0]=1 1613 B15R1.1080 CC(O)CCOc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_100012276601 [0,1,0,0,0,0|0,0,0]=1 1614 B15R1.1080 CC(O)CCOc1ccc(cc1)[S+](C)C 34a_100010188728_100012276601 [0,1,0,0,0,0|3,0,0]=4 1615 B15R1.1080 CC(O)CCOc1ccc(cc1)[S+](C)C 7a_100010188728_100012276601 [0,1,0,0,0,0|3,0,0]=4 1616 B15R1.1080 CC(O)CCOc1ccc(nc1)[N+](=O)[O-] 7a_100000060138_100012276601 [0,1,0,0,0,0|1,0,0]=2 1617 B15R1.1080 CC(O)CCSc1ccc(cc1)C(=O)N 62a_100000162191_100012276601 [0,1,0,0,0,0|2,1,0]=4 1618 B15R1.1080 CC(O)CCSc1ccc(cc1)C(=O)N 62a_100012276601_100000162191 [0,1,0,0,0,0|2,1,0]=4 1619 B15R1.1080 CC(O)CCSc1ccc(cc1)S(=O)C 62a_100009816266_100012276601 [0,1,0,0,0,0|2,1,0]=4 1620 B15R1.1080 CC(O)CNCc1ccc(cc1)[N+](=O)[O-] 207a_100000210904_100000189386 [0,1,0,0,0,0|2,0,0]=3 1621 B15R1.1080 CC(O)CNCc1ccc(cc1)[N+](=O)[O-] 2230a_100000210904_100000181861 [0,1,0,0,0,0|2,0,0]=3 1622 B15R1.1080 CC(O)CNCc1ccc(cc1)[N+](=O)[O-] 2230a_100000742766_100011218427 [0,1,0,0,0,0|2,0,0]=3 1623 B15R1.1080 CC(O)CNCc1ccc(cc1)[N+](=O)[O-] 270004a_100000210904_100000189386 [0,1,0,0,0,0|2,0,0]=3 1624 B15R1.1080 CC(O)CNCc1ccc(cc1)[N+](=O)[O-] 34a_100000210904_100000181861 [0,1,0,0,0,0|2,0,0]=3 1625 B15R1.1080 CC(O)CNCc1ccc(cc1)[N+](=O)[O-] 34a_100000742766_100011218427 [0,1,0,0,0,0|2,0,0]=3 1626 B15R1.1080 CC(O)COCc1ccc(cc1)[N+](=O)[O-] 34a_100000211695_100011218427 [0,1,0,0,0,0|2,0,0]=3 1627 B15R1.1080 CC(O)CSCc1ccc(cc1)[N+](=O)[O-] 62a_100011218427_100000184243 [0,1,0,0,0,0|2,0,0]=3 1628 B15R1.1080 CN(C)CCCc1ccc(cc1)[N+](=O)[O-] 2230a_100102631434_100010167727 [0,1,0,0,0,0|3,0,0]=4 1629 B15R1.1080 CN(C)CCCc1ccc(cc1)[N+](=O)[O-] 269982a_100102631434_100010167727 [0,1,0,0,0,0|3,0,0]=4 1630 B15R1.1080 CN(C)CCOc1ccc(cc1)[N+](=O)[O-] 2230a_100102631434_100000742347 [0,1,0,0,0,0|2,0,0]=3 1631 B15R1.1080 CN(C)CCOc1ccc(cc1)[N+](=O)[O-] 269982a_100102631434_100000742347 [0,1,0,0,0,0|2,0,0]=3 1632 B15R1.1080 CN(C)CCOc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_100000755713 [0,1,0,0,0,0|2,0,0]=3 1633 B15R1.1080 CN(C)CCOc1ccc(nc1)[N+](=O)[O-] 7a_100000060138_100000755713 [0,1,0,0,0,0|3,0,0]=4 1634 B15R1.1080 C[C@@H](Cl)COCc1ccc(cc1)[N+](=O)[O-] 34a_100016084084_100000181861 [0,1,0,0,0,0|3,0,0]=4 1635 B15R1.1080 C[C@@H](N)COCc1ccc(cc1)[N+](=O)[O-] 34a_100000737577_100000181861 [0,1,0,0,0,0|3,0,0]=4 1636 B15R1.1080 C[C@@H](O)CNCc1ccc(cc1)[N+](=O)[O-] 2230a_100000742766_100009817552 [0,1,0,0,0,0|2,0,0]=3 1637 B15R1.1080 C[C@@H](O)CNCc1ccc(cc1)[N+](=O)[O-] 34a_100000742766_100009817552 [0,1,0,0,0,0|2,0,0]=3 1638 B15R1.1080 C[C@@H](O)COCc1ccc(cc1)[N+](=O)[O-] 34a_100000211695_100009817552 [0,1,0,0,0,0|2,0,0]=3 1639 B15R1.1080 C[C@@H](O)CSCc1ccc(cc1)[N+](=O)[O-] 62a_100009817552_100000184243 [0,1,0,0,0,0|2,0,0]=3 1640 B15R1.1080 NC(=O)CCNc1ccc(cc1)[N+](=O)[O-] 2230a_100015195142_100000744528 [0,1,0,0,0,0|1,0,2]=4 1641 B15R1.1080 NC(=O)CCNc1ccc(cc1)[N+](=O)[O-] 34a_100015195142_100000731001 [0,1,0,0,0,0|1,0,2]=4 1642 B15R1.1080 NC(=O)CCOc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_100000731001 [0,1,0,0,0,0|0,0,2]=3 1643 B15R1.1080 NC(=O)CCOc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_100000744528 [0,1,0,0,0,0|0,0,2]=3 1644 B15R1.1080 NC(=O)CCOc1ccc(nc1)[N+](=O)[O-] 7a_100000060138_100000744528 [0,1,0,0,0,0|1,0,2]=4 1645 B15R1.1080 O=C(O)CNCc1ccc(cc1)[N+](=O)[O-] 269956a_100016091260_100000181861 [0,1,0,0,0,0|2,0,1]=4 1646 B15R1.1080 O=[N+]([O-])c1ccc(cc1)CNCC(F)F 207a_100000765723_100000189386 [0,1,0,0,0,0|3,0,0]=4 1647 B15R1.1080 O=[N+]([O-])c1ccc(cc1)CNCC(F)F 2230a_100000742766_100011934356 [0,1,0,0,0,0|3,0,0]=4 1648 B15R1.1080 O=[N+]([O-])c1ccc(cc1)CNCC(F)F 270004a_100000765723_100000189386 [0,1,0,0,0,0|3,0,0]=4 1649 B15R1.1080 O=[N+]([O-])c1ccc(cc1)CNCC(F)F 34a_100000742766_100011934356 [0,1,0,0,0,0|3,0,0]=4 1650 B15R1.1080 O=[N+]([O-])c1ccc(cc1)CNCC(F)F 34a_100000765723_100000181861 [0,1,0,0,0,0|3,0,0]=4 1651 B15R1.1080 O=[N+]([O-])c1ccc(cc1)COCC(F)F 34a_100000211695_100011934356 [0,1,0,0,0,0|3,0,0]=4 1652 B15R1.1080 O=[N+]([O-])c1ccc(cc1)COCC(F)F 34a_100000743014_100000181861 [0,1,0,0,0,0|3,0,0]=4 1653 B15R1.1080 O=[N+]([O-])c1ccc(cc1)CSCC(F)F 62a_100011934356_100000184243 [0,1,0,0,0,0|3,0,0]=4 1654 B15R1.1080 [13CH3]C(=O)CCCc1ccc(cc1)[N+](=O)[O-] 1458a_100011214885_200025704644 [0,1,0,0,0,0|1,0,2]=4 1655 B15R1.1080 [13CH3]C(=O)CCOc1ccc(cc1)[N+](=O)[O-] 1458a_100000738207_200025704644 [0,1,0,0,0,0|0,0,2]=3 1656 B15R1.1194 C#CCCNc1ccc(c(c1)Br)[N+](=O)[O-] 7a_100000693983_100000688953 [0,1,0,0,0,0|2,0,1]=4 1657 B15R1.1194 C#CCCNc1ccc(c(c1)C)[N+](=O)[O-] 34a_100000745639_100000688953 [0,1,0,0,0,0|2,0,1]=4 1658 B15R1.1194 C#CCCNc1ccc(c(c1)C)[N+](=O)[O-] 7a_100000745639_100000688953 [0,1,0,0,0,0|2,0,1]=4 1659 B15R1.1194 C#CCCNc1ccc(c(c1)F)[N+](=O)[O-] 34a_100000741728_100000688953 [0,1,0,0,0,0|2,0,1]=4 1660 B15R1.1194 C#CCCNc1ccc(c(c1)F)[N+](=O)[O-] 7a_100000741728_100000688953 [0,1,0,0,0,0|2,0,1]=4 1661 B15R1.1194 C#CCCOc1ccc(c(c1)Br)[N+](=O)[O-] 34a_100012356988_100000688953 [0,1,0,0,0,0|1,0,1]=3 1662 B15R1.1194 C#CCCOc1ccc(c(c1)Br)[N+](=O)[O-] 7a_100012356988_100000688953 [0,1,0,0,0,0|1,0,1]=3 1663 B15R1.1194 C#CCCOc1ccc(c(c1)C)[N+](=O)[O-] 34a_100000195451_100000688953 [0,1,0,0,0,0|1,0,1]=3 1664 B15R1.1194 C#CCCOc1ccc(c(c1)C)[N+](=O)[O-] 7a_100000195451_100000688953 [0,1,0,0,0,0|1,0,1]=3 1665 B15R1.1194 C#CCCOc1ccc(c(c1)Cl)[N+](=O)[O-] 34a_100000746235_100000688953 [0,1,0,0,0,0|1,0,1]=3 1666 B15R1.1194 C#CCCOc1ccc(c(c1)Cl)[N+](=O)[O-] 7a_100000746235_100000688953 [0,1,0,0,0,0|1,0,1]=3 1667 B15R1.1194 C#CCCOc1ccc(c(c1)F)[N+](=O)[O-] 7a_100000745333_100000688953 [0,1,0,0,0,0|1,0,1]=3 1668 B15R1.1194 C#CCCOc1ccc(c(c1)I)[N+](=O)[O-] 7a_100010243554_100000688953 [0,1,0,0,0,0|1,0,1]=3 1669 B15R1.1194 C#CCCOc1ccc(c(c1)N)[N+](=O)[O-] 7a_100000729835_100000688953 [0,1,0,0,0,0|1,0,1]=3 1670 B15R1.1194 C/C=C/COc1ccc(c(c1)Br)[N+](=O)[O-] 34a_100012356988_100102629194 [0,1,0,0,0,0|1,0,2]=4 1671 B15R1.1194 C/C=C/COc1ccc(c(c1)Br)[N+](=O)[O-] 7a_100012356988_100102629194 [0,1,0,0,0,0|1,0,2]=4 1672 B15R1.1194 C/C=C/COc1ccc(c(c1)C)[N+](=O)[O-] 34a_100000195451_100102629194 [0,1,0,0,0,0|1,0,2]=4 1673 B15R1.1194 C/C=C/COc1ccc(c(c1)C)[N+](=O)[O-] 7a_100000195451_100102629194 [0,1,0,0,0,0|1,0,2]=4 1674 B15R1.1194 C/C=C/COc1ccc(c(c1)Cl)[N+](=O)[O-] 34a_100000746235_100102629194 [0,1,0,0,0,0|1,0,2]=4 1675 B15R1.1194 C/C=C/COc1ccc(c(c1)Cl)[N+](=O)[O-] 7a_100000746235_100102629194 [0,1,0,0,0,0|1,0,2]=4 1676 B15R1.1194 C/C=C/COc1ccc(c(c1)F)[N+](=O)[O-] 7a_100000745333_100102629194 [0,1,0,0,0,0|1,0,2]=4 1677 B15R1.1194 C/C=C/COc1ccc(c(c1)I)[N+](=O)[O-] 7a_100010243554_100102629194 [0,1,0,0,0,0|1,0,2]=4 1678 B15R1.1194 C/C=C/COc1ccc(c(c1)N)[N+](=O)[O-] 7a_100000729835_100102629194 [0,1,0,0,0,0|1,0,2]=4 1679 B15R1.1194 C=CCCNc1ccc(c(c1)Br)[N+](=O)[O-] 7a_100000693983_100000754431 [0,1,0,0,0,0|2,0,1]=4 1680 B15R1.1194 C=CCCNc1ccc(c(c1)C)[N+](=O)[O-] 34a_100000745639_100000754431 [0,1,0,0,0,0|2,0,1]=4 1681 B15R1.1194 C=CCCNc1ccc(c(c1)C)[N+](=O)[O-] 7a_100000745639_100000754431 [0,1,0,0,0,0|2,0,1]=4 1682 B15R1.1194 C=CCCNc1ccc(c(c1)F)[N+](=O)[O-] 34a_100000741728_100000754431 [0,1,0,0,0,0|2,0,1]=4 1683 B15R1.1194 C=CCCNc1ccc(c(c1)F)[N+](=O)[O-] 7a_100000741728_100000754431 [0,1,0,0,0,0|2,0,1]=4 1684 B15R1.1194 C=CCCOc1ccc(c(c1)Br)[N+](=O)[O-] 34a_100012356988_100000754431 [0,1,0,0,0,0|1,0,1]=3 1685 B15R1.1194 C=CCCOc1ccc(c(c1)Br)[N+](=O)[O-] 7a_100012356988_100000754431 [0,1,0,0,0,0|1,0,1]=3 1686 B15R1.1194 C=CCCOc1ccc(c(c1)C)[N+](=O)[O-] 34a_100000195451_100000754431 [0,1,0,0,0,0|1,0,1]=3 1687 B15R1.1194 C=CCCOc1ccc(c(c1)C)[N+](=O)[O-] 7a_100000195451_100000754431 [0,1,0,0,0,0|1,0,1]=3 1688 B15R1.1194 C=CCCOc1ccc(c(c1)Cl)[N+](=O)[O-] 34a_100000746235_100000754431 [0,1,0,0,0,0|1,0,1]=3 1689 B15R1.1194 C=CCCOc1ccc(c(c1)Cl)[N+](=O)[O-] 7a_100000746235_100000754431 [0,1,0,0,0,0|1,0,1]=3 1690 B15R1.1194 C=CCCOc1ccc(c(c1)F)[N+](=O)[O-] 7a_100000745333_100000754431 [0,1,0,0,0,0|1,0,1]=3 1691 B15R1.1194 C=CCCOc1ccc(c(c1)I)[N+](=O)[O-] 7a_100010243554_100000754431 [0,1,0,0,0,0|1,0,1]=3 1692 B15R1.1194 C=CCCOc1ccc(c(c1)N)[N+](=O)[O-] 7a_100000729835_100000754431 [0,1,0,0,0,0|1,0,1]=3 1693 B15R1.1194 CC#CCOc1ccc(c(c1)Br)[N+](=O)[O-] 34a_100012356988_100000748600 [0,1,0,0,0,0|1,0,2]=4 1694 B15R1.1194 CC#CCOc1ccc(c(c1)Br)[N+](=O)[O-] 7a_100012356988_100000748600 [0,1,0,0,0,0|1,0,2]=4 1695 B15R1.1194 CC#CCOc1ccc(c(c1)C)[N+](=O)[O-] 34a_100000195451_100000748600 [0,1,0,0,0,0|1,0,2]=4 1696 B15R1.1194 CC#CCOc1ccc(c(c1)C)[N+](=O)[O-] 7a_100000195451_100000748600 [0,1,0,0,0,0|1,0,2]=4 1697 B15R1.1194 CC#CCOc1ccc(c(c1)Cl)[N+](=O)[O-] 34a_100000746235_100000748600 [0,1,0,0,0,0|1,0,2]=4 1698 B15R1.1194 CC#CCOc1ccc(c(c1)Cl)[N+](=O)[O-] 7a_100000746235_100000748600 [0,1,0,0,0,0|1,0,2]=4 1699 B15R1.1194 CC#CCOc1ccc(c(c1)F)[N+](=O)[O-] 7a_100000745333_100000748600 [0,1,0,0,0,0|1,0,2]=4 1700 B15R1.1194 CC#CCOc1ccc(c(c1)I)[N+](=O)[O-] 7a_100010243554_100000748600 [0,1,0,0,0,0|1,0,2]=4 1701 B15R1.1194 CC#CCOc1ccc(c(c1)N)[N+](=O)[O-] 7a_100000729835_100000748600 [0,1,0,0,0,0|1,0,2]=4 1702 B15R1.1194 CC(=O)c1ccc(cc1Br)OCCCF 34a_100012340537_100011934791 [0,1,0,0,0,0|3,0,0]=4 1703 B15R1.1194 CC(=O)c1ccc(cc1Br)OCCCF 7a_100012340537_100011934791 [0,1,0,0,0,0|3,0,0]=4 1704 B15R1.1194 CC(=O)c1ccc(cc1Br)OCCCO 34a_100012340537_100000230001 [0,1,0,0,0,0|2,0,0]=3 1705 B15R1.1194 CC(=O)c1ccc(cc1Br)OCCCO 7a_100012340537_100011215043 [0,1,0,0,0,0|2,0,0]=3 1706 B15R1.1194 CC(=O)c1ccc(cc1C)OCCCF 34a_100000702595_100011934791 [0,1,0,0,0,0|3,0,0]=4 1707 B15R1.1194 CC(=O)c1ccc(cc1C)OCCCF 7a_100000702595_100011934791 [0,1,0,0,0,0|3,0,0]=4 1708 B15R1.1194 CC(=O)c1ccc(cc1C)OCCCO 34a_100000702595_100000230001 [0,1,0,0,0,0|2,0,0]=3 1709 B15R1.1194 CC(=O)c1ccc(cc1C)OCCCO 7a_100000702595_100011215043 [0,1,0,0,0,0|2,0,0]=3 1710 B15R1.1194 CC(=O)c1ccc(cc1C)SCCCO 62a_100011215043_100012360112 [0,1,0,0,0,0|2,1,0]=4 1711 B15R1.1194 CC(=O)c1ccc(cc1C)SCCCO 62a_100012360112_100011215043 [0,1,0,0,0,0|2,1,0]=4 1712 B15R1.1194 CC(=O)c1ccc(cc1Cl)OCCCF 34a_100011933989_100011934791 [0,1,0,0,0,0|3,0,0]=4 1713 B15R1.1194 CC(=O)c1ccc(cc1Cl)OCCCF 7a_100011933989_100011934791 [0,1,0,0,0,0|3,0,0]=4 1714 B15R1.1194 CC(=O)c1ccc(cc1Cl)OCCCO 34a_100011933989_100000230001 [0,1,0,0,0,0|2,0,0]=3 1715 B15R1.1194 CC(=O)c1ccc(cc1Cl)OCCCO 7a_100011933989_100011215043 [0,1,0,0,0,0|2,0,0]=3 1716 B15R1.1194 CC(=O)c1ccc(cc1F)NCCCO 27a_100000182051_100000690205 [0,1,0,0,0,0|3,0,0]=4 1717 B15R1.1194 CC(=O)c1ccc(cc1F)OCCCF 34a_100000752407_100011934791 [0,1,0,0,0,0|3,0,0]=4 1718 B15R1.1194 CC(=O)c1ccc(cc1F)OCCCF 7a_100000752407_100011934791 [0,1,0,0,0,0|3,0,0]=4 1719 B15R1.1194 CC(=O)c1ccc(cc1F)OCCCO 34a_100000752407_100000230001 [0,1,0,0,0,0|2,0,0]=3 1720 B15R1.1194 CC(=O)c1ccc(cc1F)OCCCO 7a_100000752407_100011215043 [0,1,0,0,0,0|2,0,0]=3 1721 B15R1.1194 CC(=O)c1ccc(cc1F)SCCCO 62a_100000690205_100011215043 [0,1,0,0,0,0|2,1,0]=4 1722 B15R1.1194 CC(=O)c1ccc(cc1N)SCCCO 62a_100011590516_100011215043 [0,1,0,0,0,0|2,1,0]=4 1723 B15R1.1194 CC=CCOc1ccc(c(c1)Br)[N+](=O)[O-] 34a_100012356988_100000070051 [0,1,0,0,0,0|1,0,2]=4 1724 B15R1.1194 CC=CCOc1ccc(c(c1)Br)[N+](=O)[O-] 7a_100012356988_100000070051 [0,1,0,0,0,0|1,0,2]=4 1725 B15R1.1194 CC=CCOc1ccc(c(c1)C)[N+](=O)[O-] 34a_100000195451_100000070051 [0,1,0,0,0,0|1,0,2]=4 1726 B15R1.1194 CC=CCOc1ccc(c(c1)C)[N+](=O)[O-] 7a_100000195451_100000070051 [0,1,0,0,0,0|1,0,2]=4 1727 B15R1.1194 CC=CCOc1ccc(c(c1)Cl)[N+](=O)[O-] 34a_100000746235_100000070051 [0,1,0,0,0,0|1,0,2]=4 1728 B15R1.1194 CC=CCOc1ccc(c(c1)Cl)[N+](=O)[O-] 7a_100000746235_100000070051 [0,1,0,0,0,0|1,0,2]=4 1729 B15R1.1194 CC=CCOc1ccc(c(c1)F)[N+](=O)[O-] 7a_100000745333_100000070051 [0,1,0,0,0,0|1,0,2]=4 1730 B15R1.1194 CC=CCOc1ccc(c(c1)I)[N+](=O)[O-] 7a_100010243554_100000070051 [0,1,0,0,0,0|1,0,2]=4 1731 B15R1.1194 CC=CCOc1ccc(c(c1)N)[N+](=O)[O-] 7a_100000729835_100000070051 [0,1,0,0,0,0|1,0,2]=4 1732 B15R1.1194 CCCCNc1ccc(c(c1)Br)[N+](=O)[O-] 7a_100000693983_100000210211 [0,1,0,0,0,0|2,0,0]=3 1733 B15R1.1194 CCCCNc1ccc(c(c1)C)[N+](=O)[O-] 34a_100000745639_100000210210 [0,1,0,0,0,0|2,0,0]=3 1734 B15R1.1194 CCCCNc1ccc(c(c1)C)[N+](=O)[O-] 7a_100000745639_100000210211 [0,1,0,0,0,0|2,0,0]=3 1735 B15R1.1194 CCCCNc1ccc(c(c1)F)[N+](=O)[O-] 34a_100000741728_100000210210 [0,1,0,0,0,0|2,0,0]=3 1736 B15R1.1194 CCCCNc1ccc(c(c1)F)[N+](=O)[O-] 7a_100000741728_100000210211 [0,1,0,0,0,0|2,0,0]=3 1737 B15R1.1194 CCCCOc1ccc(c(c1)Br)C(=O)C 34a_100012340537_100000210210 [0,1,0,0,0,0|3,0,0]=4 1738 B15R1.1194 CCCCOc1ccc(c(c1)Br)C(=O)C 7a_100012340537_100000210211 [0,1,0,0,0,0|3,0,0]=4 1739 B15R1.1194 CCCCOc1ccc(c(c1)Br)[N+](=O)[O-] 34a_100012356988_100000210210 [0,1,0,0,0,0|1,0,0]=2 1740 B15R1.1194 CCCCOc1ccc(c(c1)Br)[N+](=O)[O-] 7a_100012356988_100000210211 [0,1,0,0,0,0|1,0,0]=2 1741 B15R1.1194 CCCCOc1ccc(c(c1)C)C(=O)C 34a_100000702595_100000210210 [0,1,0,0,0,0|3,0,0]=4 1742 B15R1.1194 CCCCOc1ccc(c(c1)C)C(=O)C 7a_100000702595_100000210211 [0,1,0,0,0,0|3,0,0]=4 1743 B15R1.1194 CCCCOc1ccc(c(c1)C)[N+](=O)[O-] 34a_100000195451_100000210210 [0,1,0,0,0,0|1,0,0]=2 1744 B15R1.1194 CCCCOc1ccc(c(c1)C)[N+](=O)[O-] 7a_100000195451_100000210211 [0,1,0,0,0,0|1,0,0]=2 1745 B15R1.1194 CCCCOc1ccc(c(c1)Cl)C(=O)C 1458a_100000703625_200000210301 [0,1,0,0,0,0|3,0,0]=4 1746 B15R1.1194 CCCCOc1ccc(c(c1)Cl)C(=O)C 34a_100011933989_100000210210 [0,1,0,0,0,0|3,0,0]=4 1747 B15R1.1194 CCCCOc1ccc(c(c1)Cl)C(=O)C 7a_100011933989_100000210211 [0,1,0,0,0,0|3,0,0]=4 1748 B15R1.1194 CCCCOc1ccc(c(c1)Cl)C(=O)N 34a_100011997949_100000210210 [0,1,0,0,0,0|3,0,0]=4 1749 B15R1.1194 CCCCOc1ccc(c(c1)Cl)C(=O)N 7a_100011997949_100000210211 [0,1,0,0,0,0|3,0,0]=4 1750 B15R1.1194 CCCCOc1ccc(c(c1)Cl)C(=O)[13CH3] 1458a_100000703625_200025704644 [0,1,0,0,0,0|3,0,0]=4 1751 B15R1.1194 CCCCOc1ccc(c(c1)Cl)[N+](=O)[O-] 34a_100000746235_100000210210 [0,1,0,0,0,0|1,0,0]=2 1752 B15R1.1194 CCCCOc1ccc(c(c1)Cl)[N+](=O)[O-] 7a_100000746235_100000210211 [0,1,0,0,0,0|1,0,0]=2 1753 B15R1.1194 CCCCOc1ccc(c(c1)F)C(=O)C 34a_100000752407_100000210210 [0,1,0,0,0,0|3,0,0]=4 1754 B15R1.1194 CCCCOc1ccc(c(c1)F)C(=O)C 7a_100000752407_100000210211 [0,1,0,0,0,0|3,0,0]=4 1755 B15R1.1194 CCCCOc1ccc(c(c1)F)C(=O)N 34a_200012186767_100000210210 [0,1,0,0,0,0|3,0,0]=4 1756 B15R1.1194 CCCCOc1ccc(c(c1)F)C(=O)N 7a_200012186767_100000210211 [0,1,0,0,0,0|3,0,0]=4 1757 B15R1.1194 CCCCOc1ccc(c(c1)F)[N+](=O)[O-] 7a_100000745333_100000210211 [0,1,0,0,0,0|1,0,0]=2 1758 B15R1.1194 CCCCOc1ccc(c(c1)I)[N+](=O)[O-] 7a_100010243554_100000210211 [0,1,0,0,0,0|1,0,0]=2 1759 B15R1.1194 CCCCOc1ccc(c(c1)N)C(=O)N 34a_100012186684_100000210210 [0,1,0,0,0,0|3,0,0]=4 1760 B15R1.1194 CCCCOc1ccc(c(c1)N)C(=O)N 7a_100012186684_100000210211 [0,1,0,0,0,0|3,0,0]=4 1761 B15R1.1194 CCCCOc1ccc(c(c1)N)[N+](=O)[O-] 7a_100000729835_100000210211 [0,1,0,0,0,0|1,0,0]=2 1762 B15R1.1194 CCCNCc1ccc(c(c1)Br)[N+](=O)[O-] 270004a_100020643023_100009998837 [0,1,0,0,0,0|3,0,0]=4 1763 B15R1.1194 CCCNCc1ccc(c(c1)C)[N+](=O)[O-] 207a_100020643023_100000050484 [0,1,0,0,0,0|3,0,0]=4 1764 B15R1.1194 CCCNCc1ccc(c(c1)C)[N+](=O)[O-] 270004a_100020643023_100000050484 [0,1,0,0,0,0|3,0,0]=4 1765 B15R1.1194 CCCNCc1ccc(c(c1)Cl)[N+](=O)[O-] 270004a_100020643023_100000070945 [0,1,0,0,0,0|3,0,0]=4 1766 B15R1.1194 CCCNCc1ccc(c(c1)F)[N+](=O)[O-] 270004a_100020643023_100011934122 [0,1,0,0,0,0|3,0,0]=4 1767 B15R1.1194 CCCOCc1ccc(c(c1)C)[N+](=O)[O-] 34a_100000210258_100009816690 [0,1,0,0,0,0|3,0,0]=4 1768 B15R1.1194 CCCOCc1ccc(c(c1)C)[N+](=O)[O-] 7a_100000032365_100000210303 [0,1,0,0,0,0|3,0,0]=4 1769 B15R1.1194 CCCOCc1ccc(c(c1)F)[N+](=O)[O-] 34a_100000210258_100000687068 [0,1,0,0,0,0|3,0,0]=4 1770 B15R1.1194 CCCOCc1ccc(c(c1)F)[N+](=O)[O-] 7a_100011219895_100000210303 [0,1,0,0,0,0|3,0,0]=4 1771 B15R1.1194 CCCSCc1ccc(c(c1)F)[N+](=O)[O-] 62a_100000687068_100000210303 [0,1,0,0,0,0|3,0,0]=4 1772 B15R1.1194 COCCNc1ccc(c(c1)Br)[N+](=O)[O-] 7a_100000693983_100000233755 [0,1,0,0,0,0|3,0,0]=4 1773 B15R1.1194 COCCNc1ccc(c(c1)C)[N+](=O)[O-] 34a_100000745639_100011201679 [0,1,0,0,0,0|3,0,0]=4 1774 B15R1.1194 COCCNc1ccc(c(c1)C)[N+](=O)[O-] 7a_100000745639_100000233755 [0,1,0,0,0,0|3,0,0]=4 1775 B15R1.1194 COCCNc1ccc(c(c1)F)[N+](=O)[O-] 34a_100000741728_100011201679 [0,1,0,0,0,0|3,0,0]=4 1776 B15R1.1194 COCCNc1ccc(c(c1)F)[N+](=O)[O-] 7a_100000741728_100000233755 [0,1,0,0,0,0|3,0,0]=4 1777 B15R1.1194 COCCOc1ccc(c(c1)Br)[N+](=O)[O-] 34a_100012356988_100011201679 [0,1,0,0,0,0|2,0,0]=3 1778 B15R1.1194 COCCOc1ccc(c(c1)Br)[N+](=O)[O-] 7a_100012356988_100000233755 [0,1,0,0,0,0|2,0,0]=3 1779 B15R1.1194 COCCOc1ccc(c(c1)C)[N+](=O)[O-] 34a_100000195451_100011201679 [0,1,0,0,0,0|2,0,0]=3 1780 B15R1.1194 COCCOc1ccc(c(c1)C)[N+](=O)[O-] 7a_100000195451_100000233755 [0,1,0,0,0,0|2,0,0]=3 1781 B15R1.1194 COCCOc1ccc(c(c1)Cl)[N+](=O)[O-] 34a_100000746235_100011201679 [0,1,0,0,0,0|2,0,0]=3 1782 B15R1.1194 COCCOc1ccc(c(c1)Cl)[N+](=O)[O-] 7a_100000746235_100000233755 [0,1,0,0,0,0|2,0,0]=3 1783 B15R1.1194 COCCOc1ccc(c(c1)F)[N+](=O)[O-] 7a_100000745333_100000233755 [0,1,0,0,0,0|2,0,0]=3 1784 B15R1.1194 COCCOc1ccc(c(c1)I)[N+](=O)[O-] 7a_100010243554_100000233755 [0,1,0,0,0,0|2,0,0]=3 1785 B15R1.1194 COCCOc1ccc(c(c1)N)[N+](=O)[O-] 7a_100000729835_100000233755 [0,1,0,0,0,0|2,0,0]=3 1786 B15R1.1194 CSCCNc1ccc(c(c1)Br)[N+](=O)[O-] 7a_100000693983_100000212216 [0,1,0,0,0,0|3,0,0]=4 1787 B15R1.1194 CSCCNc1ccc(c(c1)C)[N+](=O)[O-] 34a_100000745639_100000212216 [0,1,0,0,0,0|3,0,0]=4 1788 B15R1.1194 CSCCNc1ccc(c(c1)C)[N+](=O)[O-] 7a_100000745639_100000212216 [0,1,0,0,0,0|3,0,0]=4 1789 B15R1.1194 CSCCNc1ccc(c(c1)F)[N+](=O)[O-] 34a_100000741728_100000212216 [0,1,0,0,0,0|3,0,0]=4 1790 B15R1.1194 CSCCNc1ccc(c(c1)F)[N+](=O)[O-] 7a_100000741728_100000212216 [0,1,0,0,0,0|3,0,0]=4 1791 B15R1.1194 CSCCOc1ccc(c(c1)Br)[N+](=O)[O-] 34a_100012356988_100000212216 [0,1,0,0,0,0|2,0,0]=3 1792 B15R1.1194 CSCCOc1ccc(c(c1)Br)[N+](=O)[O-] 7a_100012356988_100000212216 [0,1,0,0,0,0|2,0,0]=3 1793 B15R1.1194 CSCCOc1ccc(c(c1)C)[N+](=O)[O-] 34a_100000195451_100000212216 [0,1,0,0,0,0|2,0,0]=3 1794 B15R1.1194 CSCCOc1ccc(c(c1)C)[N+](=O)[O-] 7a_100000195451_100000212216 [0,1,0,0,0,0|2,0,0]=3 1795 B15R1.1194 CSCCOc1ccc(c(c1)Cl)[N+](=O)[O-] 34a_100000746235_100000212216 [0,1,0,0,0,0|2,0,0]=3 1796 B15R1.1194 CSCCOc1ccc(c(c1)Cl)[N+](=O)[O-] 7a_100000746235_100000212216 [0,1,0,0,0,0|2,0,0]=3 1797 B15R1.1194 CSCCOc1ccc(c(c1)F)[N+](=O)[O-] 7a_100000745333_100000212216 [0,1,0,0,0,0|2,0,0]=3 1798 B15R1.1194 CSCCOc1ccc(c(c1)I)[N+](=O)[O-] 7a_100010243554_100000212216 [0,1,0,0,0,0|2,0,0]=3 1799 B15R1.1194 CSCCOc1ccc(c(c1)N)[N+](=O)[O-] 7a_100000729835_100000212216 [0,1,0,0,0,0|2,0,0]=3 1800 B15R1.1194 Cc1cc(ccc1C(=O)N)NCCCO 27a_100000182051_100011327924 [0,1,0,0,0,0|3,0,0]=4 1801 B15R1.1194 Cc1cc(ccc1C(=O)N)NCCCO 34a_200000751758_100000230001 [0,1,0,0,0,0|3,0,0]=4 1802 B15R1.1194 Cc1cc(ccc1C(=O)N)NCCCO 7a_200000751758_100011215043 [0,1,0,0,0,0|3,0,0]=4 1803 B15R1.1194 Cc1cc(ccc1C(=O)N)SCCCO 62a_100011215043_100011327924 [0,1,0,0,0,0|2,1,0]=4 1804 B15R1.1194 Cc1cc(ccc1C(=O)N)SCCCO 62a_100011327924_100011215043 [0,1,0,0,0,0|2,1,0]=4 1805 B15R1.1194 Cc1cc(ccc1C(C)C)OCCCO 34a_100000210824_100000230001 [0,1,0,0,0,0|3,0,0]=4 1806 B15R1.1194 Cc1cc(ccc1C(C)C)OCCCO 7a_100000210824_100011215043 [0,1,0,0,0,0|3,0,0]=4 1807 B15R1.1194 Cc1cc(ccc1[N+](=O)[O-])CNCCF 34a_100000724931_100009816690 [0,1,0,0,0,0|3,0,0]=4 1808 B15R1.1194 Cc1cc(ccc1[N+](=O)[O-])CNCCO 207a_100000210304_100000050484 [0,1,0,0,0,0|2,0,0]=3 1809 B15R1.1194 Cc1cc(ccc1[N+](=O)[O-])CNCCO 2230a_100016997473_100009816690 [0,1,0,0,0,0|2,0,0]=3 1810 B15R1.1194 Cc1cc(ccc1[N+](=O)[O-])CNCCO 270004a_100000210304_100000050484 [0,1,0,0,0,0|2,0,0]=3 1811 B15R1.1194 Cc1cc(ccc1[N+](=O)[O-])CNCCO 34a_100016990907_100009816690 [0,1,0,0,0,0|2,0,0]=3 1812 B15R1.1194 Cc1cc(ccc1[N+](=O)[O-])COCCBr 34a_100000211926_100009816690 [0,1,0,0,0,0|3,0,0]=4 1813 B15R1.1194 Cc1cc(ccc1[N+](=O)[O-])COCCF 7a_100000032365_100011217306 [0,1,0,0,0,0|3,0,0]=4 1814 B15R1.1194 Cc1cc(ccc1[N+](=O)[O-])COCCN 34a_100000210304_100009816690 [0,1,0,0,0,0|3,0,0]=4 1815 B15R1.1194 Cc1cc(ccc1[N+](=O)[O-])COCCO 7a_100000032365_100000211926 [0,1,0,0,0,0|2,0,0]=3 1816 B15R1.1194 Cc1cc(ccc1[N+](=O)[O-])NCCC#N 7a_100000745639_100000184422 [0,1,0,0,0,0|2,0,1]=4 1817 B15R1.1194 Cc1cc(ccc1[N+](=O)[O-])NCCCF 34a_100000745639_100011934791 [0,1,0,0,0,0|2,0,0]=3 1818 B15R1.1194 Cc1cc(ccc1[N+](=O)[O-])NCCCF 7a_100000745639_100011934791 [0,1,0,0,0,0|2,0,0]=3 1819 B15R1.1194 Cc1cc(ccc1[N+](=O)[O-])NCCCO 34a_100000745639_100000230001 [0,1,0,0,0,0|1,0,0]=2 1820 B15R1.1194 Cc1cc(ccc1[N+](=O)[O-])NCCCO 7a_100000745639_100011215043 [0,1,0,0,0,0|1,0,0]=2 1821 B15R1.1194 Cc1cc(ccc1[N+](=O)[O-])OCCC#N 7a_100000195451_100000184422 [0,1,0,0,0,0|1,0,1]=3 1822 B15R1.1194 Cc1cc(ccc1[N+](=O)[O-])OCCCF 34a_100000195451_100011934791 [0,1,0,0,0,0|1,0,0]=2 1823 B15R1.1194 Cc1cc(ccc1[N+](=O)[O-])OCCCF 7a_100000195451_100011934791 [0,1,0,0,0,0|1,0,0]=2 1824 B15R1.1194 Cc1cc(ccc1[N+](=O)[O-])OCCCO 34a_100000195451_100000230001 [0,1,0,0,0,0|0,0,0]=1 1825 B15R1.1194 Cc1cc(ccc1[N+](=O)[O-])OCCCO 7a_100000195451_100011215043 [0,1,0,0,0,0|0,0,0]=1 1826 B15R1.1194 N#CCCNc1ccc(c(c1)Br)[N+](=O)[O-] 7a_100000693983_100000184422 [0,1,0,0,0,0|2,0,1]=4 1827 B15R1.1194 N#CCCNc1ccc(c(c1)F)[N+](=O)[O-] 7a_100000741728_100000184422 [0,1,0,0,0,0|2,0,1]=4 1828 B15R1.1194 N#CCCOc1ccc(c(c1)Br)[N+](=O)[O-] 7a_100012356988_100000184422 [0,1,0,0,0,0|1,0,1]=3 1829 B15R1.1194 N#CCCOc1ccc(c(c1)Cl)[N+](=O)[O-] 7a_100000746235_100000184422 [0,1,0,0,0,0|1,0,1]=3 1830 B15R1.1194 N#CCCOc1ccc(c(c1)F)[N+](=O)[O-] 7a_100000745333_100000184422 [0,1,0,0,0,0|1,0,1]=3 1831 B15R1.1194 N#CCCOc1ccc(c(c1)I)[N+](=O)[O-] 7a_100010243554_100000184422 [0,1,0,0,0,0|1,0,1]=3 1832 B15R1.1194 N#CCCOc1ccc(c(c1)N)[N+](=O)[O-] 7a_100000729835_100000184422 [0,1,0,0,0,0|1,0,1]=3 1833 B15R1.1194 NC(=O)c1ccc(cc1Br)NCCCO 27a_100000182051_200010146565 [0,1,0,0,0,0|3,0,0]=4 1834 B15R1.1194 NC(=O)c1ccc(cc1Br)SCCCO 62a_200010146565_100011215043 [0,1,0,0,0,0|2,1,0]=4 1835 B15R1.1194 NC(=O)c1ccc(cc1Cl)NCCCO 34a_100000737725_100000230001 [0,1,0,0,0,0|3,0,0]=4 1836 B15R1.1194 NC(=O)c1ccc(cc1Cl)NCCCO 7a_100000737725_100011215043 [0,1,0,0,0,0|3,0,0]=4 1837 B15R1.1194 NC(=O)c1ccc(cc1Cl)OCCCF 34a_100011997949_100011934791 [0,1,0,0,0,0|3,0,0]=4 1838 B15R1.1194 NC(=O)c1ccc(cc1Cl)OCCCF 7a_100011997949_100011934791 [0,1,0,0,0,0|3,0,0]=4 1839 B15R1.1194 NC(=O)c1ccc(cc1Cl)OCCCO 34a_100011997949_100000230001 [0,1,0,0,0,0|2,0,0]=3 1840 B15R1.1194 NC(=O)c1ccc(cc1Cl)OCCCO 7a_100011997949_100011215043 [0,1,0,0,0,0|2,0,0]=3 1841 B15R1.1194 NC(=O)c1ccc(cc1F)NCCCO 27a_100000182051_100000216903 [0,1,0,0,0,0|3,0,0]=4 1842 B15R1.1194 NC(=O)c1ccc(cc1F)NCCCO 34a_100000749959_100000230001 [0,1,0,0,0,0|3,0,0]=4 1843 B15R1.1194 NC(=O)c1ccc(cc1F)NCCCO 7a_100000749959_100011215043 [0,1,0,0,0,0|3,0,0]=4 1844 B15R1.1194 NC(=O)c1ccc(cc1F)OCCCF 34a_200012186767_100011934791 [0,1,0,0,0,0|3,0,0]=4 1845 B15R1.1194 NC(=O)c1ccc(cc1F)OCCCF 7a_200012186767_100011934791 [0,1,0,0,0,0|3,0,0]=4 1846 B15R1.1194 NC(=O)c1ccc(cc1F)OCCCO 34a_200012186767_100000230001 [0,1,0,0,0,0|2,0,0]=3 1847 B15R1.1194 NC(=O)c1ccc(cc1F)OCCCO 7a_200012186767_100011215043 [0,1,0,0,0,0|2,0,0]=3 1848 B15R1.1194 NC(=O)c1ccc(cc1F)SCCCO 62a_100000216903_100011215043 [0,1,0,0,0,0|2,1,0]=4 1849 B15R1.1194 NC(=O)c1ccc(cc1N)OCCCF 34a_100012186684_100011934791 [0,1,0,0,0,0|3,0,0]=4 1850 B15R1.1194 NC(=O)c1ccc(cc1N)OCCCF 7a_100012186684_100011934791 [0,1,0,0,0,0|3,0,0]=4 1851 B15R1.1194 NC(=O)c1ccc(cc1N)OCCCO 34a_100012186684_100000230001 [0,1,0,0,0,0|2,0,0]=3 1852 B15R1.1194 NC(=O)c1ccc(cc1N)OCCCO 7a_100012186684_100011215043 [0,1,0,0,0,0|2,0,0]=3 1853 B15R1.1194 NC(=O)c1ccc(cc1N)SCCCO 62a_100012349972_100011215043 [0,1,0,0,0,0|2,1,0]=4 1854 B15R1.1194 NC(=O)c1ccc(cc1O)NCCCO 34a_100000223280_100000230001 [0,1,0,0,0,0|3,0,0]=4 1855 B15R1.1194 NC(=O)c1ccc(cc1O)NCCCO 7a_100000223280_100011215043 [0,1,0,0,0,0|3,0,0]=4 1856 B15R1.1194 NC(=O)c1ccc(cc1O)SCCCO 62a_100011550861_100011215043 [0,1,0,0,0,0|2,1,0]=4 1857 B15R1.1194 NCCOCc1ccc(c(c1)F)[N+](=O)[O-] 34a_100000210304_100000687068 [0,1,0,0,0,0|3,0,0]=4 1858 B15R1.1194 Nc1cc(ccc1[N+](=O)[O-])OCCCF 7a_100000729835_100011934791 [0,1,0,0,0,0|1,0,0]=2 1859 B15R1.1194 Nc1cc(ccc1[N+](=O)[O-])OCCCO 7a_100000729835_100011215043 [0,1,0,0,0,0|0,0,0]=1 1860 B15R1.1194 O=[N+]([O-])c1ccc(cc1Br)CNCCO 270004a_100000210304_100009998837 [0,1,0,0,0,0|2,0,0]=3 1861 B15R1.1194 O=[N+]([O-])c1ccc(cc1Br)NCCCF 7a_100000693983_100011934791 [0,1,0,0,0,0|2,0,0]=3 1862 B15R1.1194 O=[N+]([O-])c1ccc(cc1Br)NCCCO 7a_100000693983_100011215043 [0,1,0,0,0,0|1,0,0]=2 1863 B15R1.1194 O=[N+]([O-])c1ccc(cc1Br)OCCCF 34a_100012356988_100011934791 [0,1,0,0,0,0|1,0,0]=2 1864 B15R1.1194 O=[N+]([O-])c1ccc(cc1Br)OCCCF 7a_100012356988_100011934791 [0,1,0,0,0,0|1,0,0]=2 1865 B15R1.1194 O=[N+]([O-])c1ccc(cc1Br)OCCCO 34a_100012356988_100000230001 [0,1,0,0,0,0|0,0,0]=1 1866 B15R1.1194 O=[N+]([O-])c1ccc(cc1Br)OCCCO 7a_100012356988_100011215043 [0,1,0,0,0,0|0,0,0]=1 1867 B15R1.1194 O=[N+]([O-])c1ccc(cc1Cl)CNCCO 270004a_100000210304_100000070945 [0,1,0,0,0,0|2,0,0]=3 1868 B15R1.1194 O=[N+]([O-])c1ccc(cc1Cl)OCCCF 34a_100000746235_100011934791 [0,1,0,0,0,0|1,0,0]=2 1869 B15R1.1194 O=[N+]([O-])c1ccc(cc1Cl)OCCCF 7a_100000746235_100011934791 [0,1,0,0,0,0|1,0,0]=2 1870 B15R1.1194 O=[N+]([O-])c1ccc(cc1Cl)OCCCO 34a_100000746235_100000230001 [0,1,0,0,0,0|0,0,0]=1 1871 B15R1.1194 O=[N+]([O-])c1ccc(cc1Cl)OCCCO 7a_100000746235_100011215043 [0,1,0,0,0,0|0,0,0]=1 1872 B15R1.1194 O=[N+]([O-])c1ccc(cc1F)CNCCF 34a_100000724931_100000687068 [0,1,0,0,0,0|3,0,0]=4 1873 B15R1.1194 O=[N+]([O-])c1ccc(cc1F)CNCCO 2230a_100016997473_100000687068 [0,1,0,0,0,0|2,0,0]=3 1874 B15R1.1194 O=[N+]([O-])c1ccc(cc1F)CNCCO 270004a_100000210304_100011934122 [0,1,0,0,0,0|2,0,0]=3 1875 B15R1.1194 O=[N+]([O-])c1ccc(cc1F)CNCCO 34a_100016990907_100000687068 [0,1,0,0,0,0|2,0,0]=3 1876 B15R1.1194 O=[N+]([O-])c1ccc(cc1F)COCCBr 34a_100000211926_100000687068 [0,1,0,0,0,0|3,0,0]=4 1877 B15R1.1194 O=[N+]([O-])c1ccc(cc1F)COCCF 7a_100011219895_100011217306 [0,1,0,0,0,0|3,0,0]=4 1878 B15R1.1194 O=[N+]([O-])c1ccc(cc1F)COCCO 7a_100011219895_100000211926 [0,1,0,0,0,0|2,0,0]=3 1879 B15R1.1194 O=[N+]([O-])c1ccc(cc1F)CSCCF 62a_100000687068_100011217306 [0,1,0,0,0,0|3,0,0]=4 1880 B15R1.1194 O=[N+]([O-])c1ccc(cc1F)CSCCO 62a_100000687068_100000211926 [0,1,0,0,0,0|2,0,0]=3 1881 B15R1.1194 O=[N+]([O-])c1ccc(cc1F)NCCCF 34a_100000741728_100011934791 [0,1,0,0,0,0|2,0,0]=3 1882 B15R1.1194 O=[N+]([O-])c1ccc(cc1F)NCCCF 7a_100000741728_100011934791 [0,1,0,0,0,0|2,0,0]=3 1883 B15R1.1194 O=[N+]([O-])c1ccc(cc1F)NCCCO 34a_100000741728_100000230001 [0,1,0,0,0,0|1,0,0]=2 1884 B15R1.1194 O=[N+]([O-])c1ccc(cc1F)NCCCO 7a_100000741728_100011215043 [0,1,0,0,0,0|1,0,0]=2 1885 B15R1.1194 O=[N+]([O-])c1ccc(cc1F)OCCCF 7a_100000745333_100011934791 [0,1,0,0,0,0|1,0,0]=2 1886 B15R1.1194 O=[N+]([O-])c1ccc(cc1F)OCCCO 7a_100000745333_100011215043 [0,1,0,0,0,0|0,0,0]=1 1887 B15R1.1194 O=[N+]([O-])c1ccc(cc1I)OCCCF 7a_100010243554_100011934791 [0,1,0,0,0,0|1,0,0]=2 1888 B15R1.1194 O=[N+]([O-])c1ccc(cc1I)OCCCO 7a_100010243554_100011215043 [0,1,0,0,0,0|0,0,0]=1 1889 B15R1.1222 C#CCCC(=O)c1ccc(cc1)[N+](=O)[O-] 1458a_100000185811_100000753159 [0,1,0,0,0,0|2,0,1]=4 1890 B15R1.1222 C#CCCN(C)c1ccc(cc1)[N+](=O)[O-] 2230a_100000156523_100000688953 [0,1,0,0,0,0|2,0,1]=4 1891 B15R1.1222 C#CCCN(C)c1ccc(cc1)[N+](=O)[O-] 269982a_100000156523_100000730999 [0,1,0,0,0,0|2,0,1]=4 1892 B15R1.1222 C#CCCN(C)c1ccc(cc1)[N+](=O)[O-] 34a_100000156523_100000688953 [0,1,0,0,0,0|2,0,1]=4 1893 B15R1.1222 C=CCCC(=O)c1ccc(cc1)[N+](=O)[O-] 1458a_100000185811_100000754431 [0,1,0,0,0,0|2,0,1]=4 1894 B15R1.1222 C=CCCN(C)c1ccc(cc1)[N+](=O)[O-] 2230a_100000156523_100000754431 [0,1,0,0,0,0|2,0,1]=4 1895 B15R1.1222 C=CCCN(C)c1ccc(cc1)[N+](=O)[O-] 269982a_100000156523_100000754431 [0,1,0,0,0,0|2,0,1]=4 1896 B15R1.1222 C=CCCN(C)c1ccc(cc1)[N+](=O)[O-] 34a_100000156523_100000754431 [0,1,0,0,0,0|2,0,1]=4 1897 B15R1.1222 CC(NCCO)c1ccc(cc1)[N+](=O)[O-] 2230a_100016997473_100000684656 [0,1,0,0,0,0|2,0,0]=3 1898 B15R1.1222 CC(OCCF)c1ccc(cc1)[N+](=O)[O-] 34a_100000246459_100011217306 [0,1,0,0,0,0|3,0,0]=4 1899 B15R1.1222 CC(OCCF)c1ccc(cc1)[N+](=O)[O-] 7a_100000246459_100011217306 [0,1,0,0,0,0|3,0,0]=4 1900 B15R1.1222 CC(OCCO)c1ccc(cc1)[N+](=O)[O-] 34a_100000246459_100000211926 [0,1,0,0,0,0|2,0,0]=3 1901 B15R1.1222 CC(OCCO)c1ccc(cc1)[N+](=O)[O-] 7a_100000246459_100000211926 [0,1,0,0,0,0|2,0,0]=3 1902 B15R1.1222 CCCCC(=O)c1ccc(cc1)[N+](=O)[O-] 1458a_100000185811_100000210211 [0,1,0,0,0,0|2,0,0]=3 1903 B15R1.1222 CCCCN(C)c1ccc(cc1)[N+](=O)[O-] 2230a_100000156523_100000210211 [0,1,0,0,0,0|2,0,0]=3 1904 B15R1.1222 CCCCN(C)c1ccc(cc1)[N+](=O)[O-] 2230a_200000156419_200000210301 [0,1,0,0,0,0|2,0,0]=3 1905 B15R1.1222 CCCCN(C)c1ccc(cc1)[N+](=O)[O-] 269982a_100000156523_100000210211 [0,1,0,0,0,0|2,0,0]=3 1906 B15R1.1222 CCCCN(C)c1ccc(cc1)[N+](=O)[O-] 269982a_200000156419_200000210301 [0,1,0,0,0,0|2,0,0]=3 1907 B15R1.1222 CCCCN(C)c1ccc(cc1)[N+](=O)[O-] 34a_100000156523_100000210210 [0,1,0,0,0,0|2,0,0]=3 1908 B15R1.1222 CCCCN(C)c1ccc(cc1)[N+](=O)[O-] 34a_200000156419_200000210301 [0,1,0,0,0,0|2,0,0]=3 1909 B15R1.1222 CCCCN(C)c1ccc(cc1)[N+](=O)[O-] 7a_200000156419_200000210301 [0,1,0,0,0,0|2,0,0]=3 1910 B15R1.1222 CCCCN([13CH3])c1ccc(cc1)[N+](=O)[O-] 2230a_200000156419_200025704644 [0,1,0,0,0,0|2,0,0]=3 1911 B15R1.1222 CCCCN([13CH3])c1ccc(cc1)[N+](=O)[O-] 269982a_200000156419_200025704644 [0,1,0,0,0,0|2,0,0]=3 1912 B15R1.1222 CCCCN([13CH3])c1ccc(cc1)[N+](=O)[O-] 34a_200000156419_200025704644 [0,1,0,0,0,0|2,0,0]=3 1913 B15R1.1222 CCCCN([13CH3])c1ccc(cc1)[N+](=O)[O-] 7a_200000156419_200025704644 [0,1,0,0,0,0|2,0,0]=3 1914 B15R1.1222 CCCNC(=O)c1ccc(cc1)[N+](=O)[O-] 11a_100020643023_100000185811 [0,1,0,0,0,0|3,0,0]=4 1915 B15R1.1222 CCCNC(=O)c1ccc(cc1)[N+](=O)[O-] 1626a_100020643023_100000185811 [0,1,0,0,0,0|3,0,0]=4 1916 B15R1.1222 CCCNC(=O)c1ccc(cc1)[N+](=O)[O-] 240690a_100020643023_100000185811 [0,1,0,0,0,0|3,0,0]=4 1917 B15R1.1222 CCCNC(=O)c1ccc(cc1)[N+](=O)[O-] 527a_100020643023_100000185811 [0,1,0,0,0,0|3,0,0]=4 1918 B15R1.1222 CCCN[C@@H](C)c1ccc(cc1)[N+](=O)[O-] 2230a_100000008510_100000210303 [0,1,0,0,0,0|3,0,0]=4 1919 B15R1.1222 CCCOC(C)c1ccc(cc1)[N+](=O)[O-] 34a_100000246459_100000210303 [0,1,0,0,0,0|3,0,0]=4 1920 B15R1.1222 CCCOC(C)c1ccc(cc1)[N+](=O)[O-] 7a_100000246459_100000210303 [0,1,0,0,0,0|3,0,0]=4 1921 B15R1.1222 CCNCC(=O)c1ccc(cc1)[N+](=O)[O-] 2230a_100015525214_100000195401 [0,1,0,0,0,0|3,0,0]=4 1922 B15R1.1222 CCOCN(C)c1ccc(cc1)[N+](=O)[O-] 269982a_100000156523_100000739092 [0,1,0,0,0,0|3,0,0]=4 1923 B15R1.1222 CCSCC(=O)c1ccc(cc1)[N+](=O)[O-] 62a_100000195401_100000210202 [0,1,0,0,0,0|3,0,0]=4 1924 B15R1.1222 CN(CCC#N)c1ccc(cc1)[N+](=O)[O-] 2230a_100000156523_100011215226 [0,1,0,0,0,0|2,0,1]=4 1925 B15R1.1222 CN(CCC#N)c1ccc(cc1)[N+](=O)[O-] 269982a_100000156523_100011215226 [0,1,0,0,0,0|2,0,1]=4 1926 B15R1.1222 CN(CCCF)c1ccc(cc1)[N+](=O)[O-] 2230a_100000156523_100011934791 [0,1,0,0,0,0|2,0,0]=3 1927 B15R1.1222 CN(CCCF)c1ccc(cc1)[N+](=O)[O-] 269982a_100000156523_100011934791 [0,1,0,0,0,0|2,0,0]=3 1928 B15R1.1222 CN(CCCF)c1ccc(cc1)[N+](=O)[O-] 34a_100000156523_100011934791 [0,1,0,0,0,0|2,0,0]=3 1929 B15R1.1222 CN(CCCO)c1ccc(cc1)C(=O)N 27a_100000213112_100000162191 [0,1,0,0,0,0|3,0,0]=4 1930 B15R1.1222 CN(CCCO)c1ccc(cc1)[N+](=O)[O-] 2230a_100000156523_100000230001 [0,1,0,0,0,0|1,0,0]=2 1931 B15R1.1222 CN(CCCO)c1ccc(cc1)[N+](=O)[O-] 2230a_200000156464_200000210301 [0,1,0,0,0,0|1,0,0]=2 1932 B15R1.1222 CN(CCCO)c1ccc(cc1)[N+](=O)[O-] 269982a_100000156523_100011215043 [0,1,0,0,0,0|1,0,0]=2 1933 B15R1.1222 CN(CCCO)c1ccc(cc1)[N+](=O)[O-] 269982a_200000156464_200000210301 [0,1,0,0,0,0|1,0,0]=2 1934 B15R1.1222 CN(CCCO)c1ccc(cc1)[N+](=O)[O-] 34a_100000156523_100000230001 [0,1,0,0,0,0|1,0,0]=2 1935 B15R1.1222 CN(CCCO)c1ccc(cc1)[N+](=O)[O-] 34a_200000156464_200000210301 [0,1,0,0,0,0|1,0,0]=2 1936 B15R1.1222 COCCC(=O)c1ccc(cc1)[N+](=O)[O-] 1458a_100000185811_100000233755 [0,1,0,0,0,0|3,0,0]=4 1937 B15R1.1222 COCCN(C)c1ccc(cc1)[N+](=O)[O-] 2230a_100000156523_100011201679 [0,1,0,0,0,0|3,0,0]=4 1938 B15R1.1222 COCCN(C)c1ccc(cc1)[N+](=O)[O-] 269982a_100000156523_100000233755 [0,1,0,0,0,0|3,0,0]=4 1939 B15R1.1222 COCCN(C)c1ccc(cc1)[N+](=O)[O-] 34a_100000156523_100011201679 [0,1,0,0,0,0|3,0,0]=4 1940 B15R1.1222 CS(=O)c1ccc(cc1)C(=O)CCCO 1458a_200000217594_100011215043 [0,1,0,0,0,0|3,0,0]=4 1941 B15R1.1222 CSCCC(=O)c1ccc(cc1)[N+](=O)[O-] 1458a_100000185811_100000751147 [0,1,0,0,0,0|3,0,0]=4 1942 B15R1.1222 CSCCN(C)c1ccc(cc1)[N+](=O)[O-] 2230a_100000156523_100000751147 [0,1,0,0,0,0|3,0,0]=4 1943 B15R1.1222 CSCCN(C)c1ccc(cc1)[N+](=O)[O-] 269982a_100000156523_100000212216 [0,1,0,0,0,0|3,0,0]=4 1944 B15R1.1222 CSCCN(C)c1ccc(cc1)[N+](=O)[O-] 34a_100000156523_100000212216 [0,1,0,0,0,0|3,0,0]=4 1945 B15R1.1222 C[C@H](NCCF)c1ccc(cc1)[N+](=O)[O-] 2230a_100000008510_100011217306 [0,1,0,0,0,0|3,0,0]=4 1946 B15R1.1222 C[C@H](NCCO)c1ccc(cc1)[N+](=O)[O-] 2230a_100000008510_100000211926 [0,1,0,0,0,0|2,0,0]=3 1947 B15R1.1222 N#CCCC(=O)c1ccc(cc1)[N+](=O)[O-] 1458a_100000185811_100011215226 [0,1,0,0,0,0|2,0,1]=4 1948 B15R1.1222 NC(=O)c1ccc(cc1)C(=O)CCCO 1458a_100000230133_100011215043 [0,1,0,0,0,0|3,0,0]=4 1949 B15R1.1222 O=C(CCCF)c1ccc(cc1)[N+](=O)[O-] 1458a_100000185811_100011934791 [0,1,0,0,0,0|2,0,0]=3 1950 B15R1.1222 O=C(CCCO)c1ccc(cc1)[N+](=O)[O-] 1458a_100000185811_100011215043 [0,1,0,0,0,0|1,0,0]=2 1951 B15R1.1222 O=C(CSCF)c1ccc(cc1)[N+](=O)[O-] 62a_100000195401_100015361967 [0,1,0,0,0,0|3,0,0]=4 1952 B15R1.1222 O=C(NCCF)c1ccc(cc1)[N+](=O)[O-] 11a_100000724931_100000185811 [0,1,0,0,0,0|3,0,0]=4 1953 B15R1.1222 O=C(NCCF)c1ccc(cc1)[N+](=O)[O-] 1626a_100000724931_100000185811 [0,1,0,0,0,0|3,0,0]=4 1954 B15R1.1222 O=C(NCCF)c1ccc(cc1)[N+](=O)[O-] 240690a_100000724931_100000185811 [0,1,0,0,0,0|3,0,0]=4 1955 B15R1.1222 O=C(NCCF)c1ccc(cc1)[N+](=O)[O-] 527a_100000724931_100000185811 [0,1,0,0,0,0|3,0,0]=4 1956 B15R1.1222 O=C(NCCO)c1ccc(cc1)[N+](=O)[O-] 240690a_100000210304_100000185811 [0,1,0,0,0,0|2,0,0]=3 1957 B15R1.1222 O=C(NCCO)c1ccc(cc1)[N+](=O)[O-] 527a_100000210304_100000185811 [0,1,0,0,0,0|2,0,0]=3 1958 B15R1.1222 [13CH3]N(CCCO)c1ccc(cc1)[N+](=O)[O-] 2230a_200000156464_200025704644 [0,1,0,0,0,0|1,0,0]=2 1959 B15R1.1222 [13CH3]N(CCCO)c1ccc(cc1)[N+](=O)[O-] 269982a_200000156464_200025704644 [0,1,0,0,0,0|1,0,0]=2 1960 B15R1.1222 [13CH3]N(CCCO)c1ccc(cc1)[N+](=O)[O-] 34a_200000156464_200025704644 [0,1,0,0,0,0|1,0,0]=2 1961 B15R1.1262 C=C(C)c1ccc(cc1)OC(C)CCO 34a_100009880102_100009893172 [0,1,0,0,0,0|3,0,0]=4 1962 B15R1.1262 C=C(C)c1ccc(cc1)OC(C)CCO 7a_100009880102_100009893172 [0,1,0,0,0,0|3,0,0]=4 1963 B15R1.1262 CC(=O)c1ccc(cc1)OC(C)CCO 34a_100000185113_100009893172 [0,1,0,0,0,0|2,0,0]=3 1964 B15R1.1262 CC(=O)c1ccc(cc1)OC(C)CCO 7a_100000185113_100009893172 [0,1,0,0,0,0|2,0,0]=3 1965 B15R1.1262 CC(=O)c1ccc(cc1)SC(C)CCO 62a_100000185465_100009893172 [0,1,0,0,0,0|2,1,0]=4 1966 B15R1.1262 CC(=O)c1ccc(cc1)SC(C)CCO 62a_100009893172_100000185465 [0,1,0,0,0,0|2,1,0]=4 1967 B15R1.1262 CC(=O)c1ccc(cn1)OC(C)CCO 34a_100012001710_100009893172 [0,1,0,0,0,0|3,0,0]=4 1968 B15R1.1262 CC(=O)c1ccc(cn1)OC(C)CCO 7a_100012001710_100009893172 [0,1,0,0,0,0|3,0,0]=4 1969 B15R1.1262 CC(CC#N)Nc1ccc(cc1)[N+](=O)[O-] 2230a_100015195142_100009813641 [0,1,0,0,0,0|2,0,1]=4 1970 B15R1.1262 CC(CC#N)Oc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_100009813641 [0,1,0,0,0,0|1,0,1]=3 1971 B15R1.1262 CC(CC#N)Oc1ccc(nc1)[N+](=O)[O-] 7a_100000060138_100009813641 [0,1,0,0,0,0|2,0,1]=4 1972 B15R1.1262 CC(CCO)Nc1ccc(cc1)C(=O)N 34a_100000210537_100009893172 [0,1,0,0,0,0|3,0,0]=4 1973 B15R1.1262 CC(CCO)Nc1ccc(cc1)[N+](=O)[O-] 2230a_100015195142_100009893172 [0,1,0,0,0,0|1,0,0]=2 1974 B15R1.1262 CC(CCO)Nc1ccc(cc1)[N+](=O)[O-] 34a_100015195142_100009893172 [0,1,0,0,0,0|1,0,0]=2 1975 B15R1.1262 CC(CCO)Oc1ccc(cc1)C(=O)N 34a_100000746352_100009893172 [0,1,0,0,0,0|2,0,0]=3 1976 B15R1.1262 CC(CCO)Oc1ccc(cc1)C(=O)N 7a_100000746352_100009893172 [0,1,0,0,0,0|2,0,0]=3 1977 B15R1.1262 CC(CCO)Oc1ccc(cc1)C(C)C 34a_100000181308_100009893172 [0,1,0,0,0,0|3,0,0]=4 1978 B15R1.1262 CC(CCO)Oc1ccc(cc1)C(C)C 7a_100000181308_100009893172 [0,1,0,0,0,0|3,0,0]=4 1979 B15R1.1262 CC(CCO)Oc1ccc(cc1)C(C)O 34a_100000754508_100009893172 [0,1,0,0,0,0|2,0,1]=4 1980 B15R1.1262 CC(CCO)Oc1ccc(cc1)C(C)O 7a_100000754508_100009893172 [0,1,0,0,0,0|2,0,1]=4 1981 B15R1.1262 CC(CCO)Oc1ccc(cc1)N(C)C 34a_100000718910_100009893172 [0,1,0,0,0,0|2,0,1]=4 1982 B15R1.1262 CC(CCO)Oc1ccc(cc1)S(=O)C 34a_200000064373_100009893172 [0,1,0,0,0,0|2,0,0]=3 1983 B15R1.1262 CC(CCO)Oc1ccc(cc1)S(=O)C 7a_200000064373_100009893172 [0,1,0,0,0,0|2,0,0]=3 1984 B15R1.1262 CC(CCO)Oc1ccc(cc1)[C@H](C)N 34a_100161106496_100009893172 [0,1,0,0,0,0|3,0,0]=4 1985 B15R1.1262 CC(CCO)Oc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_100009893172 [0,1,0,0,0,0|0,0,0]=1 1986 B15R1.1262 CC(CCO)Oc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_100009893172 [0,1,0,0,0,0|0,0,0]=1 1987 B15R1.1262 CC(CCO)Oc1ccc(cc1)[S+](C)C 34a_100010188728_100009893172 [0,1,0,0,0,0|3,0,0]=4 1988 B15R1.1262 CC(CCO)Oc1ccc(cc1)[S+](C)C 7a_100010188728_100009893172 [0,1,0,0,0,0|3,0,0]=4 1989 B15R1.1262 CC(CCO)Oc1ccc(nc1)[N+](=O)[O-] 7a_100000060138_100009893172 [0,1,0,0,0,0|1,0,0]=2 1990 B15R1.1262 CC(CCO)Sc1ccc(cc1)C(=O)N 62a_100000162191_100009893172 [0,1,0,0,0,0|2,1,0]=4 1991 B15R1.1262 CC(CCO)Sc1ccc(cc1)C(=O)N 62a_100009893172_100000162191 [0,1,0,0,0,0|2,1,0]=4 1992 B15R1.1262 CC(CCO)Sc1ccc(cc1)S(=O)C 62a_100009816266_100009893172 [0,1,0,0,0,0|2,1,0]=4 1993 B15R1.1262 CCCC(=O)Cc1ccc(cc1)[N+](=O)[O-] 1458a_100000210908_100000210303 [0,1,0,0,0,0|2,0,1]=4 1994 B15R1.1262 CCCC(=O)Cc1ccc(cc1)[N+](=O)[O-] 1458a_100000211992_100000181861 [0,1,0,0,0,0|2,0,1]=4 1995 B15R1.1262 CCCC(=O)Nc1ccc(cc1)[N+](=O)[O-] 11a_100015195142_100000211992 [0,1,0,0,0,0|2,0,1]=4 1996 B15R1.1262 CCCC(=O)Nc1ccc(cc1)[N+](=O)[O-] 1626a_100015195142_100000211992 [0,1,0,0,0,0|2,0,1]=4 1997 B15R1.1262 CCCC(C)Nc1ccc(cc1)[N+](=O)[O-] 2230a_100015195142_100000766640 [0,1,0,0,0,0|2,0,0]=3 1998 B15R1.1262 CCCC(C)Nc1ccc(cc1)[N+](=O)[O-] 34a_100015195142_100000766640 [0,1,0,0,0,0|2,0,0]=3 1999 B15R1.1262 CCCC(C)Oc1ccc(cc1)C(=O)C 34a_100000185113_100000766640 [0,1,0,0,0,0|3,0,0]=4 2000 B15R1.1262 CCCC(C)Oc1ccc(cc1)C(=O)C 7a_100000185113_100000766640 [0,1,0,0,0,0|3,0,0]=4 2001 B15R1.1262 CCCC(C)Oc1ccc(cc1)C(=O)N 34a_100000746352_100000766640 [0,1,0,0,0,0|3,0,0]=4 2002 B15R1.1262 CCCC(C)Oc1ccc(cc1)C(=O)N 7a_100000746352_100000766640 [0,1,0,0,0,0|3,0,0]=4 2003 B15R1.1262 CCCC(C)Oc1ccc(cc1)S(=O)C 34a_200000064373_100000766640 [0,1,0,0,0,0|3,0,0]=4 2004 B15R1.1262 CCCC(C)Oc1ccc(cc1)S(=O)C 7a_200000064373_100000766640 [0,1,0,0,0,0|3,0,0]=4 2005 B15R1.1262 CCCC(C)Oc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_100000766640 [0,1,0,0,0,0|1,0,0]=2 2006 B15R1.1262 CCCC(C)Oc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_100000766640 [0,1,0,0,0,0|1,0,0]=2 2007 B15R1.1262 CCCC(C)Oc1ccc(nc1)[N+](=O)[O-] 7a_100000060138_100000766640 [0,1,0,0,0,0|2,0,0]=3 2008 B15R1.1262 CCCN(C)Cc1ccc(cc1)[N+](=O)[O-] 2230a_100000747261_100000181861 [0,1,0,0,0,0|3,0,0]=4 2009 B15R1.1262 CCCN(C)Cc1ccc(cc1)[N+](=O)[O-] 2230a_100015189985_100000210303 [0,1,0,0,0,0|3,0,0]=4 2010 B15R1.1262 CCCN(C)Cc1ccc(cc1)[N+](=O)[O-] 269982a_100000747261_100000184243 [0,1,0,0,0,0|3,0,0]=4 2011 B15R1.1262 CCCN(C)Cc1ccc(cc1)[N+](=O)[O-] 269982a_100015189985_100000210303 [0,1,0,0,0,0|3,0,0]=4 2012 B15R1.1262 CCCN(C)Cc1ccc(cc1)[N+](=O)[O-] 26a_100000747261_100000185810 [0,1,0,0,0,0|3,0,0]=4 2013 B15R1.1262 CCCN(C)Cc1ccc(cc1)[N+](=O)[O-] 270004a_100000747261_100000189386 [0,1,0,0,0,0|3,0,0]=4 2014 B15R1.1262 CCNC(C)Cc1ccc(cc1)[N+](=O)[O-] 270004a_100015525214_100011217814 [0,1,0,0,0,0|3,0,0]=4 2015 B15R1.1262 CN(CCF)Cc1ccc(cc1)[N+](=O)[O-] 2230a_100015189985_100011217306 [0,1,0,0,0,0|3,0,0]=4 2016 B15R1.1262 CN(CCF)Cc1ccc(cc1)[N+](=O)[O-] 269982a_100015189985_100011217306 [0,1,0,0,0,0|3,0,0]=4 2017 B15R1.1262 CN(CCO)Cc1ccc(cc1)C(=O)[O-] 26a_100000210263_100016998105 [0,1,0,0,0,0|3,0,0]=4 2018 B15R1.1262 CN(CCO)Cc1ccc(cc1)[N+](=O)[O-] 2230a_100000210263_100000181861 [0,1,0,0,0,0|2,0,0]=3 2019 B15R1.1262 CN(CCO)Cc1ccc(cc1)[N+](=O)[O-] 2230a_100015189985_100000211926 [0,1,0,0,0,0|2,0,0]=3 2020 B15R1.1262 CN(CCO)Cc1ccc(cc1)[N+](=O)[O-] 269982a_100000210263_100000184243 [0,1,0,0,0,0|2,0,0]=3 2021 B15R1.1262 CN(CCO)Cc1ccc(cc1)[N+](=O)[O-] 269982a_100015189985_100000211926 [0,1,0,0,0,0|2,0,0]=3 2022 B15R1.1262 CN(CCO)Cc1ccc(cc1)[N+](=O)[O-] 26a_100000210263_100000185810 [0,1,0,0,0,0|2,0,0]=3 2023 B15R1.1262 CN(CCO)Cc1ccc(cc1)[N+](=O)[O-] 270004a_100000210263_100000189386 [0,1,0,0,0,0|2,0,0]=3 2024 B15R1.1262 CNCC(=O)Oc1ccc(cc1)[N+](=O)[O-] 2230a_106832991635_100009813447 [0,1,0,0,0,0|2,0,1]=4 2025 B15R1.1262 CNCC(=O)Oc1ccc(cc1)[N+](=O)[O-] 7a_106832991635_100009813447 [0,1,0,0,0,0|2,0,1]=4 2026 B15R1.1262 COCC(C)Nc1ccc(cc1)[N+](=O)[O-] 2230a_100015195142_100000765312 [0,1,0,0,0,0|3,0,0]=4 2027 B15R1.1262 COCC(C)Nc1ccc(cc1)[N+](=O)[O-] 34a_100015195142_100000765312 [0,1,0,0,0,0|3,0,0]=4 2028 B15R1.1262 COCC(C)Oc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_100000765312 [0,1,0,0,0,0|2,0,0]=3 2029 B15R1.1262 COCC(C)Oc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_100000765312 [0,1,0,0,0,0|2,0,0]=3 2030 B15R1.1262 COCC(C)Oc1ccc(nc1)[N+](=O)[O-] 7a_100000060138_100000765312 [0,1,0,0,0,0|3,0,0]=4 2031 B15R1.1262 C[C@H](CCO)Nc1ccc(cc1)C(=O)N 27a_100000706166_100000162191 [0,1,0,0,0,0|3,0,0]=4 2032 B15R1.1262 O=C(CCF)Cc1ccc(cc1)[N+](=O)[O-] 1458a_100000210908_100011217306 [0,1,0,0,0,0|2,0,1]=4 2033 B15R1.1262 O=C(CCO)Cc1ccc(cc1)[N+](=O)[O-] 1458a_100000210908_100000211926 [0,1,0,0,0,0|1,0,1]=3 2034 B15R1.1262 O=C(CCO)Cc1ccc(cc1)[N+](=O)[O-] 1458a_100011216618_100000181861 [0,1,0,0,0,0|1,0,1]=3 2035 B15R2.2228 OCCCOc1ccc(cc1)C2CC2 271570a_100011220607_100000756186 [0,0,0,1,0,0|3,0,0]=4 2036 B15R2.2228 OCCCOc1ccc(cc1)C2CC2 34a_100011997980_100000230001 [0,0,0,1,0,0|3,0,0]=4 2037 B15R2.2228 OCCCOc1ccc(cc1)C2CC2 7a_100011997980_100011215043 [0,0,0,1,0,0|3,0,0]=4 2038 B15R2.16216 C=C(C)c1ccc(cc1)OCC2CO2 34a_100009880102_102125554688 [0,0,0,1,0,0|3,0,0]=4 2039 B15R2.16216 C=C(C)c1ccc(cc1)OCC2CO2 7a_100009880102_102125554688 [0,0,0,1,0,0|3,0,0]=4 2040 B15R2.16216 C=C(C)c1ccc(cc1)OC[C@@H]2CO2 7a_100009880102_100000745022 [0,0,0,1,0,0|3,0,0]=4 2041 B15R2.16216 CC(=O)c1ccc(cc1)OCC2CC2 1458a_100000743753_200000210301 [0,0,0,1,0,0|3,0,0]=4 2042 B15R2.16216 CC(=O)c1ccc(cc1)OCC2CC2 34a_100000185113_100000742324 [0,0,0,1,0,0|3,0,0]=4 2043 B15R2.16216 CC(=O)c1ccc(cc1)OCC2CC2 7a_100000185113_100000742324 [0,0,0,1,0,0|3,0,0]=4 2044 B15R2.16216 CC(=O)c1ccc(cc1)OCC2CO2 34a_100000185113_102125554688 [0,0,0,1,0,0|2,0,0]=3 2045 B15R2.16216 CC(=O)c1ccc(cc1)OCC2CO2 7a_100000185113_102125554688 [0,0,0,1,0,0|2,0,0]=3 2046 B15R2.16216 CC(=O)c1ccc(cc1)OCC2CS2 7a_100000185113_100000031435 [0,0,0,1,0,0|2,1,0]=4 2047 B15R2.16216 CC(=O)c1ccc(cc1)OC[C@@H]2CO2 7a_100000185113_100000745022 [0,0,0,1,0,0|2,0,0]=3 2048 B15R2.16216 CC(=O)c1ccc(cc1)SCC2CO2 62a_100000185465_102125554688 [0,0,0,1,0,0|2,1,0]=4 2049 B15R2.16216 CC(=O)c1ccc(cc1)SCC2CO2 62a_102125554688_100000185465 [0,0,0,1,0,0|2,1,0]=4 2050 B15R2.16216 CC(=O)c1ccc(cc1)SC[C@@H]2CO2 62a_100000185465_100000745022 [0,0,0,1,0,0|2,1,0]=4 2051 B15R2.16216 CC(=O)c1ccc(cc1)SC[C@@H]2CO2 62a_100000745022_100000185465 [0,0,0,1,0,0|2,1,0]=4 2052 B15R2.16216 CC(=O)c1ccc(cn1)OCC2CO2 34a_100012001710_102125554688 [0,0,0,1,0,0|3,0,0]=4 2053 B15R2.16216 CC(=O)c1ccc(cn1)OCC2CO2 7a_100012001710_102125554688 [0,0,0,1,0,0|3,0,0]=4 2054 B15R2.16216 CC(=O)c1ccc(cn1)OC[C@@H]2CO2 7a_100012001710_100000745022 [0,0,0,1,0,0|3,0,0]=4 2055 B15R2.16216 CC(C)c1ccc(cc1)OCC2CO2 34a_100000181308_102125554688 [0,0,0,1,0,0|3,0,0]=4 2056 B15R2.16216 CC(C)c1ccc(cc1)OCC2CO2 7a_100000181308_102125554688 [0,0,0,1,0,0|3,0,0]=4 2057 B15R2.16216 CC(C)c1ccc(cc1)OC[C@@H]2CO2 7a_100000181308_100000745022 [0,0,0,1,0,0|3,0,0]=4 2058 B15R2.16216 CC(O)c1ccc(cc1)OCC2CO2 34a_100000754508_102125554688 [0,0,0,1,0,0|2,0,1]=4 2059 B15R2.16216 CC(O)c1ccc(cc1)OCC2CO2 7a_100000754508_102125554688 [0,0,0,1,0,0|2,0,1]=4 2060 B15R2.16216 CC(O)c1ccc(cc1)OC[C@@H]2CO2 7a_100000754508_100000745022 [0,0,0,1,0,0|2,0,1]=4 2061 B15R2.16216 CN(C)c1ccc(cc1)OCC2CO2 34a_100000718910_102125554688 [0,0,0,1,0,0|2,0,1]=4 2062 B15R2.16216 CS(=O)c1ccc(cc1)OCC2CC2 34a_200000064373_100000742324 [0,0,0,1,0,0|3,0,0]=4 2063 B15R2.16216 CS(=O)c1ccc(cc1)OCC2CC2 7a_200000064373_100000742324 [0,0,0,1,0,0|3,0,0]=4 2064 B15R2.16216 CS(=O)c1ccc(cc1)OCC2CO2 34a_200000064373_102125554688 [0,0,0,1,0,0|2,0,0]=3 2065 B15R2.16216 CS(=O)c1ccc(cc1)OCC2CO2 7a_200000064373_102125554688 [0,0,0,1,0,0|2,0,0]=3 2066 B15R2.16216 CS(=O)c1ccc(cc1)OCC2CS2 7a_200000064373_100000031435 [0,0,0,1,0,0|2,1,0]=4 2067 B15R2.16216 CS(=O)c1ccc(cc1)OC[C@@H]2CO2 7a_200000064373_100000745022 [0,0,0,1,0,0|2,0,0]=3 2068 B15R2.16216 CS(=O)c1ccc(cc1)SCC2CO2 62a_100009816266_102125554688 [0,0,0,1,0,0|2,1,0]=4 2069 B15R2.16216 CS(=O)c1ccc(cc1)SC[C@@H]2CO2 62a_100009816266_100000745022 [0,0,0,1,0,0|2,1,0]=4 2070 B15R2.16216 C[C@H](N)c1ccc(cc1)OCC2CO2 34a_100161106496_102125554688 [0,0,0,1,0,0|3,0,0]=4 2071 B15R2.16216 C[S+](C)c1ccc(cc1)OCC2CO2 34a_100010188728_102125554688 [0,0,0,1,0,0|3,0,0]=4 2072 B15R2.16216 C[S+](C)c1ccc(cc1)OCC2CO2 7a_100010188728_102125554688 [0,0,0,1,0,0|3,0,0]=4 2073 B15R2.16216 C[S+](C)c1ccc(cc1)OC[C@@H]2CO2 7a_100010188728_100000745022 [0,0,0,1,0,0|3,0,0]=4 2074 B15R2.16216 NC(=O)c1ccc(cc1)NCC2CO2 34a_100000210537_102125554688 [0,0,0,1,0,0|3,0,0]=4 2075 B15R2.16216 NC(=O)c1ccc(cc1)OCC2CC2 34a_100000746352_100000742324 [0,0,0,1,0,0|3,0,0]=4 2076 B15R2.16216 NC(=O)c1ccc(cc1)OCC2CC2 7a_100000746352_100000742324 [0,0,0,1,0,0|3,0,0]=4 2077 B15R2.16216 NC(=O)c1ccc(cc1)OCC2CO2 34a_100000746352_102125554688 [0,0,0,1,0,0|2,0,0]=3 2078 B15R2.16216 NC(=O)c1ccc(cc1)OCC2CO2 7a_100000746352_102125554688 [0,0,0,1,0,0|2,0,0]=3 2079 B15R2.16216 NC(=O)c1ccc(cc1)OCC2CS2 7a_100000746352_100000031435 [0,0,0,1,0,0|2,1,0]=4 2080 B15R2.16216 NC(=O)c1ccc(cc1)OC[C@@H]2CO2 7a_100000746352_100000745022 [0,0,0,1,0,0|2,0,0]=3 2081 B15R2.16216 NC(=O)c1ccc(cc1)SCC2CO2 62a_100000162191_102125554688 [0,0,0,1,0,0|2,1,0]=4 2082 B15R2.16216 NC(=O)c1ccc(cc1)SCC2CO2 62a_102125554688_100000162191 [0,0,0,1,0,0|2,1,0]=4 2083 B15R2.16216 NC(=O)c1ccc(cc1)SC[C@@H]2CO2 62a_100000162191_100000745022 [0,0,0,1,0,0|2,1,0]=4 2084 B15R2.16216 NC(=O)c1ccc(cc1)SC[C@@H]2CO2 62a_100000745022_100000162191 [0,0,0,1,0,0|2,1,0]=4 2085 B15R2.16216 O=[N+]([O-])c1ccc(cc1)CNC2CC2 34a_100000212008_100000181861 [0,0,0,1,0,0|3,0,0]=4 2086 B15R2.16216 O=[N+]([O-])c1ccc(cc1)CNC2CC2 34a_100000742766_100000211595 [0,0,0,1,0,0|3,0,0]=4 2087 B15R2.16216 O=[N+]([O-])c1ccc(cc1)COC2CC2 34a_100000211695_100000211595 [0,0,0,1,0,0|3,0,0]=4 2088 B15R2.16216 O=[N+]([O-])c1ccc(cc1)NCC2CC2 2230a_100015195142_100000742324 [0,0,0,1,0,0|2,0,0]=3 2089 B15R2.16216 O=[N+]([O-])c1ccc(cc1)NCC2CC2 34a_100015195142_100000742324 [0,0,0,1,0,0|2,0,0]=3 2090 B15R2.16216 O=[N+]([O-])c1ccc(cc1)NCC2CO2 2230a_100015195142_100011216344 [0,0,0,1,0,0|1,0,0]=2 2091 B15R2.16216 O=[N+]([O-])c1ccc(cc1)NCC2CO2 34a_100015195142_102125554688 [0,0,0,1,0,0|1,0,0]=2 2092 B15R2.16216 O=[N+]([O-])c1ccc(cc1)OCC2CC2 34a_100000185810_100000742324 [0,0,0,1,0,0|1,0,0]=2 2093 B15R2.16216 O=[N+]([O-])c1ccc(cc1)OCC2CC2 7a_100000185810_100000742324 [0,0,0,1,0,0|1,0,0]=2 2094 B15R2.16216 O=[N+]([O-])c1ccc(cc1)OCC2CO2 34a_100000185810_102125554688 [0,0,0,1,0,0|0,0,0]=1 2095 B15R2.16216 O=[N+]([O-])c1ccc(cc1)OCC2CO2 7a_100000185810_102125554688 [0,0,0,1,0,0|0,0,0]=1 2096 B15R2.16216 O=[N+]([O-])c1ccc(cc1)OCC2CS2 7a_100000185810_100000031435 [0,0,0,1,0,0|0,1,0]=2 2097 B15R2.16216 O=[N+]([O-])c1ccc(cc1)OC[C@@H]2CO2 7a_100000185810_100000745022 [0,0,0,1,0,0|0,0,0]=1 2098 B15R2.16216 O=[N+]([O-])c1ccc(cn1)OCC2CC2 7a_100000060138_100000742324 [0,0,0,1,0,0|2,0,0]=3 2099 B15R2.16216 O=[N+]([O-])c1ccc(cn1)OCC2CO2 7a_100000060138_102125554688 [0,0,0,1,0,0|1,0,0]=2 2100 B15R2.16216 O=[N+]([O-])c1ccc(cn1)OCC2CS2 7a_100000060138_100000031435 [0,0,0,1,0,0|1,1,0]=3 2101 B15R2.16216 O=[N+]([O-])c1ccc(cn1)OC[C@@H]2CO2 7a_100000060138_100000745022 [0,0,0,1,0,0|1,0,0]=2 2102 B15R2.16216 [13CH3]C(=O)c1ccc(cc1)OCC2CC2 1458a_100000743753_200025704644 [0,0,0,1,0,0|3,0,0]=4 2103 B15R2.16219 CC(=O)c1ccc(cc1)OC2CCC2 1458a_100000765305_200000210301 [0,0,0,1,0,0|3,0,0]=4 2104 B15R2.16219 CC(=O)c1ccc(cc1)OC2CCC2 34a_100000185113_100000749161 [0,0,0,1,0,0|3,0,0]=4 2105 B15R2.16219 CS(=O)c1ccc(cc1)OC2CCC2 34a_200000064373_100000749161 [0,0,0,1,0,0|3,0,0]=4 2106 B15R2.16219 NC(=O)c1ccc(cc1)OC2CCC2 34a_100000746352_100000749161 [0,0,0,1,0,0|3,0,0]=4 2107 B15R2.16219 O=[N+]([O-])c1ccc(cc1)CN2CCC2 269982a_100000754969_100000184243 [0,0,0,1,0,0|3,0,0]=4 2108 B15R2.16219 O=[N+]([O-])c1ccc(cc1)CN2CCC2 26a_100000754969_100000185810 [0,0,0,1,0,0|3,0,0]=4 2109 B15R2.16219 O=[N+]([O-])c1ccc(cc1)NC2CCC2 34a_100015195142_100000749161 [0,0,0,1,0,0|2,0,0]=3 2110 B15R2.16219 O=[N+]([O-])c1ccc(cc1)NC2COC2 34a_100015195142_100009818527 [0,0,0,1,0,0|3,0,0]=4 2111 B15R2.16219 O=[N+]([O-])c1ccc(cc1)OC2CCC2 34a_100000185810_100000749161 [0,0,0,1,0,0|1,0,0]=2 2112 B15R2.16219 O=[N+]([O-])c1ccc(cc1)OC2COC2 34a_100000185810_100009818527 [0,0,0,1,0,0|2,0,0]=3 2113 B15R2.16219 O=[N+]([O-])c1ccc(cc1)OC2COC2 7a_100000185810_100009818527 [0,0,0,1,0,0|2,0,0]=3 2114 B15R2.16219 O=[N+]([O-])c1ccc(cn1)OC2COC2 7a_100000060138_100009818527 [0,0,0,1,0,0|3,0,0]=4 2115 B15R2.16219 [13CH3]C(=O)c1ccc(cc1)OC2CCC2 1458a_100000765305_200025704644 [0,0,0,1,0,0|3,0,0]=4 2116 B15R2.61353 C=C(C)c1ccc2c(c1)C(CCO2)O 271570a_100000694244_100000760992 [0,0,0,1,0,0|3,0,0]=4 2117 B15R2.68695 C=C(C)c1ccc2c(c1)OCCCO2 271570a_100000694244_100000739260 [0,0,0,1,0,0|3,0,0]=4 2118 B15R2.68695 CC(=O)c1ccc2c(c1)OCCCO2 1458a_100000198587_200000210301 [0,0,0,1,0,0|2,0,0]=3 2119 B15R2.68695 [13CH3]C(=O)c1ccc2c(c1)OCCCO2 1458a_100000198587_200025704644 [0,0,0,1,0,0|2,0,0]=3 2120 B13R1.658 O=[N+]([O-])c1ccc(o1)CNCCO 34a_100016990907_200011215689 [0,0,0,0,1,0|3,0,0]=4 2121 B13R1.658 O=[N+]([O-])c1ccc(o1)COCCO 7a_100000238365_100000211926 [0,0,0,0,1,0|3,0,0]=4 2122 B13R1.658 O=[N+]([O-])c1ccc(s1)CNCCO 2230a_100016997473_200010296502 [0,0,0,0,1,0|3,0,0]=4 2123 B13R1.658 O=[N+]([O-])c1ccc(s1)CNCCO 34a_100016990907_200010296502 [0,0,0,0,1,0|3,0,0]=4 2124 B13R1.658 O=[N+]([O-])c1ccc(s1)COCCO 7a_100011997354_100000211926 [0,0,0,0,1,0|3,0,0]=4 2125 B13R1.658 O=[N+]([O-])c1csc(c1)CNCCO 207a_100000210304_100000078564 [0,0,0,0,1,0|3,0,0]=4 2126 B13R1.658 O=[N+]([O-])c1csc(c1)CNCCO 270004a_100000210304_100000078564 [0,0,0,0,1,0|3,0,0]=4 2127 B15R1.560 CC(=Cc1ccc(cc1)OCCCO)C 271570a_100102525489_100000756186 [0,0,0,0,0,1|3,0,0]=4 2128 B15R1.560 CC(=O)Cc1ccc(cc1)OCCCF 34a_100011218180_100011934791 [0,0,0,0,0,1|3,0,0]=4 2129 B15R1.560 CC(=O)Cc1ccc(cc1)OCCCF 7a_100011218180_100011934791 [0,0,0,0,0,1|3,0,0]=4 2130 B15R1.560 CC(=O)Cc1ccc(cc1)OCCCO 34a_100011218180_100000230001 [0,0,0,0,0,1|2,0,0]=3 2131 B15R1.560 CC(=O)Cc1ccc(cc1)OCCCO 7a_100011218180_100011215043 [0,0,0,0,0,1|2,0,0]=3 2132 B15R1.560 CC(=O)Cc1ccc(cc1)SCCCO 62a_100000691760_100011215043 [0,0,0,0,0,1|2,1,0]=4 2133 B15R1.560 CC(=O)Cc1ccc(cc1)SCCCO 62a_100011215043_100000691760 [0,0,0,0,0,1|2,1,0]=4 2134 B15R1.560 CC(=O)Nc1ccc(cc1)NCCCO 34a_100000184111_100000230001 [0,0,0,0,0,1|3,0,0]=4 2135 B15R1.560 CC(=O)Nc1ccc(cc1)OCCCF 34a_100000184395_100011934791 [0,0,0,0,0,1|3,0,0]=4 2136 B15R1.560 CC(=O)Nc1ccc(cc1)OCCCF 7a_100000184395_100011934791 [0,0,0,0,0,1|3,0,0]=4 2137 B15R1.560 CC(=O)Nc1ccc(cc1)OCCCO 22a_100000730458_100000070787 [0,0,0,0,0,1|2,0,0]=3 2138 B15R1.560 CC(=O)Nc1ccc(cc1)OCCCO 34a_100000184395_100000230001 [0,0,0,0,0,1|2,0,0]=3 2139 B15R1.560 CC(=O)Nc1ccc(cc1)OCCCO 527a_100000730458_100103153847 [0,0,0,0,0,1|2,0,0]=3 2140 B15R1.560 CC(=O)Nc1ccc(cc1)OCCCO 7a_100000184395_100011215043 [0,0,0,0,0,1|2,0,0]=3 2141 B15R1.560 CC(=O)Nc1ccc(cc1)SCCCO 62a_100011215043_100000155215 [0,0,0,0,0,1|2,1,0]=4 2142 B15R1.560 CC(=O)Nc1ccc(cn1)OCCCO 34a_200000094647_100000230001 [0,0,0,0,0,1|3,0,0]=4 2143 B15R1.560 CC(=O)Nc1ccc(cn1)OCCCO 7a_200000094647_100011215043 [0,0,0,0,0,1|3,0,0]=4 2144 B15R1.560 CC(=O)Oc1ccc(cc1)SCCCO 62a_100011215043_100000002173 [0,0,0,0,0,1|2,1,0]=4 2145 B15R1.560 CC(=O)Sc1ccc(cc1)SCCCO 62a_200009995050_100011215043 [0,0,0,0,0,1|2,1,0]=4 2146 B15R1.560 CC(C)Nc1ccc(cc1)OCCCO 2230a_100000730458_100000210206 [0,0,0,0,0,1|3,0,0]=4 2147 B15R1.560 CC(C)Nc1ccc(cc1)OCCCO 34a_100000730458_100000210206 [0,0,0,0,0,1|3,0,0]=4 2148 B15R1.560 CC(C)Oc1ccc(cc1)OCCCO 34a_100000757185_100000230001 [0,0,0,0,0,1|3,0,0]=4 2149 B15R1.560 CC(C)Oc1ccc(cc1)OCCCO 7a_100000757185_100011215043 [0,0,0,0,0,1|3,0,0]=4 2150 B15R1.560 CC(C)Sc1ccc(cc1)OCCCO 62a_100000210206_100000756186 [0,0,0,0,0,1|3,0,0]=4 2151 B15R1.560 CC(C)Sc1ccc(cc1)OCCCO 62a_100000756186_100000210206 [0,0,0,0,0,1|3,0,0]=4 2152 B15R1.560 CC(N)Cc1ccc(cc1)OCCCO 34a_100102634573_100000230001 [0,0,0,0,0,1|3,0,0]=4 2153 B15R1.560 CCCCOc1ccc(cc1)CC(=O)C 1458a_100000230829_200000210301 [0,0,0,0,0,1|3,0,0]=4 2154 B15R1.560 CCCCOc1ccc(cc1)CC(=O)C 34a_100011218180_100000210210 [0,0,0,0,0,1|3,0,0]=4 2155 B15R1.560 CCCCOc1ccc(cc1)CC(=O)C 7a_100011218180_100000210211 [0,0,0,0,0,1|3,0,0]=4 2156 B15R1.560 CCCCOc1ccc(cc1)CC(=O)N 34a_100000020825_100000210210 [0,0,0,0,0,1|3,0,0]=4 2157 B15R1.560 CCCCOc1ccc(cc1)CC(=O)[13CH3] 1458a_100000230829_200025704644 [0,0,0,0,0,1|3,0,0]=4 2158 B15R1.560 CCCCOc1ccc(cc1)NC(=O)C 11a_100011194258_100015343762 [0,0,0,0,0,1|3,0,0]=4 2159 B15R1.560 CCCCOc1ccc(cc1)NC(=O)C 1626a_100011194258_100015343762 [0,0,0,0,0,1|3,0,0]=4 2160 B15R1.560 CCCCOc1ccc(cc1)NC(=O)C 22a_100011194258_100000070787 [0,0,0,0,0,1|3,0,0]=4 2161 B15R1.560 CCCCOc1ccc(cc1)NC(=O)C 34a_100000184395_100000210210 [0,0,0,0,0,1|3,0,0]=4 2162 B15R1.560 CCCCOc1ccc(cc1)NC(=O)C 527a_100011194258_100103153847 [0,0,0,0,0,1|3,0,0]=4 2163 B15R1.560 CCCCOc1ccc(cc1)NC(=O)C 7a_100000184395_100000210211 [0,0,0,0,0,1|3,0,0]=4 2164 B15R1.560 NC(=O)Cc1ccc(cc1)NCCCO 2230a_100000738315_100000230001 [0,0,0,0,0,1|3,0,0]=4 2165 B15R1.560 NC(=O)Cc1ccc(cc1)NCCCO 34a_100000738315_100000230001 [0,0,0,0,0,1|3,0,0]=4 2166 B15R1.560 NC(=O)Cc1ccc(cc1)OCCCF 34a_100000020825_100011934791 [0,0,0,0,0,1|3,0,0]=4 2167 B15R1.560 NC(=O)Cc1ccc(cc1)OCCCO 34a_100000020825_100000230001 [0,0,0,0,0,1|2,0,0]=3 2168 B15R1.560 NC(=O)Cc1ccc(cc1)SCCCO 62a_100000162331_100011215043 [0,0,0,0,0,1|2,1,0]=4 2169 B15R1.560 NC(=O)Cc1ccc(cc1)SCCCO 62a_100011215043_100000162331 [0,0,0,0,0,1|2,1,0]=4 2170 B15R1.560 NC(=O)Nc1ccc(cc1)SCCCO 62a_100011215043_100000198584 [0,0,0,0,0,1|2,1,0]=4 2171 B15R1.560 OCCCOc1ccc(cc1)OC(F)F 34a_100011217645_100000230001 [0,0,0,0,0,1|3,0,0]=4 2172 B15R1.560 OCCCOc1ccc(cc1)OC(F)F 7a_100011217645_100011215043 [0,0,0,0,0,1|3,0,0]=4 2173 B12R1.71 C=Cc1ccc(cc1)CCCO 271570a_100011290941_100011709247 [2,0,0,0,0,0|2,0,0]=4 2174 B12R1.71 C=Cc1ccc(cc1)OCCC 271570a_100011290941_100000169948 [2,0,0,0,0,0|2,0,0]=4 2175 B12R1.71 C=Cc1ccc(cc1)OCCC 34a_100000189437_100000210303 [2,0,0,0,0,0|2,0,0]=4 2176 B12R1.71 C=Cc1ccc(cc1)OCCC 7a_100000189437_100000210303 [2,0,0,0,0,0|2,0,0]=4 2177 B12R1.71 C=Cc1ccc(cc1)OCCO 271570a_100011290941_100000686261 [2,0,0,0,0,0|2,0,0]=4 2178 B12R1.71 C=Cc1ccc(cc1)OCCO 34a_100000189437_100000211926 [2,0,0,0,0,0|2,0,0]=4 2179 B12R1.71 C=Cc1ccc(cc1)OCCO 7a_100000189437_100000211926 [2,0,0,0,0,0|2,0,0]=4 2180 B12R1.71 CCCCc1ccc(cc1)C=O 271570a_100020621405_100000186029 [2,0,0,0,0,0|2,0,0]=4 2181 B12R1.71 CCCOc1ccc(cc1)C#N 34a_100000210344_100000210303 [2,0,0,0,0,0|2,0,0]=4 2182 B12R1.71 CCCOc1ccc(cc1)C#N 7a_100000210344_100000210303 [2,0,0,0,0,0|2,0,0]=4 2183 B12R1.71 CCCOc1ccc(cc1)CC 34a_100000211359_100000210303 [2,0,0,0,0,0|2,0,0]=4 2184 B12R1.71 CCCOc1ccc(cc1)CC 7a_100000211359_100000210303 [2,0,0,0,0,0|2,0,0]=4 2185 B12R1.71 CCCOc1ccc(cc1)CN 34a_100000185549_100000210303 [2,0,0,0,0,0|2,0,0]=4 2186 B12R1.71 CCCOc1ccc(cc1)CO 34a_100000211755_100000210303 [2,0,0,0,0,0|1,0,1]=4 2187 B12R1.71 CCCOc1ccc(cc1)NC 34a_100000182112_100000210303 [2,0,0,0,0,0|1,0,1]=4 2188 B12R1.71 CCCOc1ccc(cc1)NC 34a_100000748631_200000210301 [2,0,0,0,0,0|1,0,1]=4 2189 B12R1.71 CCCOc1ccc(cc1)N[13CH3] 34a_100000748631_200025704644 [2,0,0,0,0,0|1,0,1]=4 2190 B12R1.71 CCCOc1ccc(cc1)OC 34a_100000185468_200000210301 [2,0,0,0,0,0|2,0,0]=4 2191 B12R1.71 CCCOc1ccc(cc1)OC 34a_100000210503_100000210303 [2,0,0,0,0,0|2,0,0]=4 2192 B12R1.71 CCCOc1ccc(cc1)OC 7a_100000185468_200000210301 [2,0,0,0,0,0|2,0,0]=4 2193 B12R1.71 CCCOc1ccc(cc1)O[13CH3] 34a_100000185468_200025704644 [2,0,0,0,0,0|2,0,0]=4 2194 B12R1.71 CCCOc1ccc(cc1)O[13CH3] 7a_100000185468_200025704644 [2,0,0,0,0,0|2,0,0]=4 2195 B12R1.71 CCCOc1ccc(cc1)SC 34a_100000211864_100000210303 [2,0,0,0,0,0|2,0,0]=4 2196 B12R1.71 CCCOc1ccc(cc1)SC 62a_100000169948_200000210301 [2,0,0,0,0,0|2,0,0]=4 2197 B12R1.71 CCCOc1ccc(cc1)SC 62a_200000210301_100000169948 [2,0,0,0,0,0|2,0,0]=4 2198 B12R1.71 CCCOc1ccc(cc1)S[13CH3] 62a_100000169948_200025704644 [2,0,0,0,0,0|2,0,0]=4 2199 B12R1.71 CCCOc1ccc(cc1)S[13CH3] 62a_200025704644_100000169948 [2,0,0,0,0,0|2,0,0]=4 2200 B12R1.71 CCCSc1ccc(cc1)C=O 62a_100000188517_100000210303 [2,0,0,0,0,0|1,1,0]=4 2201 B12R1.71 CCCSc1ccc(cc1)C=O 62a_100000210303_100000188517 [2,0,0,0,0,0|1,1,0]=4 2202 B12R1.71 CCc1ccc(cc1)OCCO 34a_100000211359_100000211926 [2,0,0,0,0,0|2,0,0]=4 2203 B12R1.71 CCc1ccc(cc1)OCCO 7a_100000211359_100000211926 [2,0,0,0,0,0|2,0,0]=4 2204 B12R1.71 CNc1ccc(cc1)OCCO 2230a_100000754363_200000210301 [2,0,0,0,0,0|1,0,1]=4 2205 B12R1.71 CNc1ccc(cc1)OCCO 34a_100000182112_100000211926 [2,0,0,0,0,0|1,0,1]=4 2206 B12R1.71 CNc1ccc(cc1)OCCO 34a_100000754363_200000210301 [2,0,0,0,0,0|1,0,1]=4 2207 B12R1.71 COc1ccc(cc1)CCCO 34a_100011215268_200000210301 [2,0,0,0,0,0|2,0,0]=4 2208 B12R1.71 COc1ccc(cc1)CCCO 7a_100011215268_200000210301 [2,0,0,0,0,0|2,0,0]=4 2209 B12R1.71 COc1ccc(cc1)OCCO 34a_100000210503_100000211926 [2,0,0,0,0,0|2,0,0]=4 2210 B12R1.71 CSc1ccc(cc1)CCCO 62a_100011709247_200000210301 [2,0,0,0,0,0|2,0,0]=4 2211 B12R1.71 CSc1ccc(cc1)CCCO 62a_200000210301_100011709247 [2,0,0,0,0,0|2,0,0]=4 2212 B12R1.71 CSc1ccc(cc1)OCCO 34a_100000211864_100000211926 [2,0,0,0,0,0|2,0,0]=4 2213 B12R1.71 CSc1ccc(cc1)OCCO 62a_100000686261_200000210301 [2,0,0,0,0,0|2,0,0]=4 2214 B12R1.71 CSc1ccc(cc1)OCCO 62a_200000210301_100000686261 [2,0,0,0,0,0|2,0,0]=4 2215 B12R1.71 N#Cc1ccc(cc1)OCCO 34a_100000210344_100000211926 [2,0,0,0,0,0|2,0,0]=4 2216 B12R1.71 N#Cc1ccc(cc1)OCCO 7a_100000210344_100000211926 [2,0,0,0,0,0|2,0,0]=4 2217 B12R1.71 NCc1ccc(cc1)OCCO 34a_100000185549_100000211926 [2,0,0,0,0,0|2,0,0]=4 2218 B12R1.71 O=Cc1ccc(cc1)SCCO 62a_100000188517_100000211926 [2,0,0,0,0,0|1,1,0]=4 2219 B12R1.71 O=Cc1ccc(cc1)SCCO 62a_100000211926_100000188517 [2,0,0,0,0,0|1,1,0]=4 2220 B12R1.71 OCCOc1ccc(cc1)CO 34a_100000211755_100000211926 [2,0,0,0,0,0|1,0,1]=4 2221 B12R1.71 [13CH3]Nc1ccc(cc1)OCCO 2230a_100000754363_200025704644 [2,0,0,0,0,0|1,0,1]=4 2222 B12R1.71 [13CH3]Nc1ccc(cc1)OCCO 34a_100000754363_200025704644 [2,0,0,0,0,0|1,0,1]=4 2223 B12R1.71 [13CH3]Oc1ccc(cc1)CCCO 34a_100011215268_200025704644 [2,0,0,0,0,0|2,0,0]=4 2224 B12R1.71 [13CH3]Oc1ccc(cc1)CCCO 7a_100011215268_200025704644 [2,0,0,0,0,0|2,0,0]=4 2225 B12R1.71 [13CH3]Sc1ccc(cc1)CCCO 62a_100011709247_200025704644 [2,0,0,0,0,0|2,0,0]=4 2226 B12R1.71 [13CH3]Sc1ccc(cc1)CCCO 62a_200025704644_100011709247 [2,0,0,0,0,0|2,0,0]=4 2227 B12R1.71 [13CH3]Sc1ccc(cc1)OCCO 62a_100000686261_200025704644 [2,0,0,0,0,0|2,0,0]=4 2228 B12R1.71 [13CH3]Sc1ccc(cc1)OCCO 62a_200025704644_100000686261 [2,0,0,0,0,0|2,0,0]=4 2229 B12R1.113 CC(=O)c1ccc(cc1)CCO 1458a_100000078963_200000210301 [2,0,0,0,0,0|2,0,0]=4 2230 B12R1.113 CCCc1ccc(cc1)C(=O)C 1458a_100011207308_200000210301 [2,0,0,0,0,0|2,0,0]=4 2231 B12R1.113 CCCc1ccc(cc1)C(=O)[13CH3] 1458a_100011207308_200025704644 [2,0,0,0,0,0|2,0,0]=4 2232 B12R1.113 CCNc1ccc(cc1)[N+](=O)[O-] 2230a_100015195142_100000210202 [2,0,0,0,0,0|1,0,0]=3 2233 B12R1.113 CCNc1ccc(cc1)[N+](=O)[O-] 34a_100015195142_100000210202 [2,0,0,0,0,0|1,0,0]=3 2234 B12R1.113 CCOc1ccc(cc1)C(=O)C 1458a_100000181891_200000210301 [2,0,0,0,0,0|2,0,0]=4 2235 B12R1.113 CCOc1ccc(cc1)C(=O)C 34a_100000185113_100000210202 [2,0,0,0,0,0|2,0,0]=4 2236 B12R1.113 CCOc1ccc(cc1)C(=O)C 7a_100000185113_100000210202 [2,0,0,0,0,0|2,0,0]=4 2237 B12R1.113 CCOc1ccc(cc1)C(=O)N 34a_100000746352_100000210202 [2,0,0,0,0,0|2,0,0]=4 2238 B12R1.113 CCOc1ccc(cc1)C(=O)N 7a_100000746352_100000210202 [2,0,0,0,0,0|2,0,0]=4 2239 B12R1.113 CCOc1ccc(cc1)C(=O)[13CH3] 1458a_100000181891_200025704644 [2,0,0,0,0,0|2,0,0]=4 2240 B12R1.113 CCOc1ccc(cc1)S(=O)C 34a_200000064373_100000210202 [2,0,0,0,0,0|2,0,0]=4 2241 B12R1.113 CCOc1ccc(cc1)S(=O)C 7a_200000064373_100000210202 [2,0,0,0,0,0|2,0,0]=4 2242 B12R1.113 CCOc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_100000210202 [2,0,0,0,0,0|0,0,0]=2 2243 B12R1.113 CCOc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_100000210202 [2,0,0,0,0,0|0,0,0]=2 2244 B12R1.113 CCOc1ccc(nc1)[N+](=O)[O-] 7a_100000060138_100000210202 [2,0,0,0,0,0|1,0,0]=3 2245 B12R1.113 CNCc1ccc(cc1)C(=O)[O-] 26a_100102657272_100016998105 [2,0,0,0,0,0|2,0,0]=4 2246 B12R1.113 CNCc1ccc(cc1)[N+](=O)[O-] 207a_100102657272_100000189386 [2,0,0,0,0,0|1,0,0]=3 2247 B12R1.113 CNCc1ccc(cc1)[N+](=O)[O-] 2230a_100000742766_200000210301 [2,0,0,0,0,0|1,0,0]=3 2248 B12R1.113 CNCc1ccc(cc1)[N+](=O)[O-] 2230a_106832991635_100000181861 [2,0,0,0,0,0|1,0,0]=3 2249 B12R1.113 CNCc1ccc(cc1)[N+](=O)[O-] 26a_100102657272_100000185810 [2,0,0,0,0,0|1,0,0]=3 2250 B12R1.113 CNCc1ccc(cc1)[N+](=O)[O-] 270004a_106832991635_100000189386 [2,0,0,0,0,0|1,0,0]=3 2251 B12R1.113 CNCc1ccc(cc1)[N+](=O)[O-] 34a_100000742766_200000210301 [2,0,0,0,0,0|1,0,0]=3 2252 B12R1.113 CNCc1ccc(cc1)[N+](=O)[O-] 34a_100102657272_100000181861 [2,0,0,0,0,0|1,0,0]=3 2253 B12R1.113 CNCc1ccc(cc1)[N+](=O)[O-] 7a_106832991635_100000181861 [2,0,0,0,0,0|1,0,0]=3 2254 B12R1.113 COCc1ccc(cc1)[N+](=O)[O-] 34a_100000211695_200000210301 [2,0,0,0,0,0|1,0,0]=3 2255 B12R1.113 COCc1ccc(cc1)[N+](=O)[O-] 34a_100138415774_100000181861 [2,0,0,0,0,0|1,0,0]=3 2256 B12R1.113 CSCc1ccc(cc1)[N+](=O)[O-] 62a_200000210301_100000184243 [2,0,0,0,0,0|1,0,0]=3 2257 B12R1.113 O=[N+]([O-])c1ccc(cc1)NCF 34a_100015195142_100015361967 [2,0,0,0,0,0|2,0,0]=4 2258 B12R1.113 O=[N+]([O-])c1ccc(cc1)OCF 34a_100000185810_100015361967 [2,0,0,0,0,0|1,0,0]=3 2259 B12R1.113 O=[N+]([O-])c1ccc(cc1)OCF 7a_100000185810_100015361967 [2,0,0,0,0,0|1,0,0]=3 2260 B12R1.113 O=[N+]([O-])c1ccc(cn1)OCF 7a_100000060138_100015361967 [2,0,0,0,0,0|2,0,0]=4 2261 B12R1.113 [13CH3]C(=O)c1ccc(cc1)CCO 1458a_100000078963_200025704644 [2,0,0,0,0,0|2,0,0]=4 2262 B12R1.113 [13CH3]NCc1ccc(cc1)[N+](=O)[O-] 2230a_100000742766_200025704644 [2,0,0,0,0,0|1,0,0]=3 2263 B12R1.113 [13CH3]NCc1ccc(cc1)[N+](=O)[O-] 34a_100000742766_200025704644 [2,0,0,0,0,0|1,0,0]=3 2264 B12R1.113 [13CH3]OCc1ccc(cc1)[N+](=O)[O-] 34a_100000211695_200025704644 [2,0,0,0,0,0|1,0,0]=3 2265 B12R1.113 [13CH3]SCc1ccc(cc1)[N+](=O)[O-] 62a_200025704644_100000184243 [2,0,0,0,0,0|1,0,0]=3 2266 B12R1.1 CCCCOc1ccc(=O)[nH]c1 34a_100000075641_100000210210 [2,0,0,0,0,0|2,0,0]=4 2267 B12R1.1 CCCCOc1ccc(cc1)Br 34a_100000185759_100000210210 [2,0,0,0,0,0|2,0,0]=4 2268 B12R1.1 CCCCOc1ccc(cc1)Br 7a_100000185759_100000210211 [2,0,0,0,0,0|2,0,0]=4 2269 B12R1.1 CCCCOc1ccc(cc1)C 34a_100000210336_100000210210 [2,0,0,0,0,0|2,0,0]=4 2270 B12R1.1 CCCCOc1ccc(cc1)C 7a_100000210336_100000210211 [2,0,0,0,0,0|2,0,0]=4 2271 B12R1.1 CCCCOc1ccc(cc1)Cl 34a_100000210216_100000210210 [2,0,0,0,0,0|2,0,0]=4 2272 B12R1.1 CCCCOc1ccc(cc1)Cl 7a_100000210216_100000210211 [2,0,0,0,0,0|2,0,0]=4 2273 B12R1.1 CCCCOc1ccc(cc1)F 34a_100000210339_100000210210 [2,0,0,0,0,0|2,0,0]=4 2274 B12R1.1 CCCCOc1ccc(cc1)I 34a_100000212066_100000210210 [2,0,0,0,0,0|2,0,0]=4 2275 B12R1.1 CCCCOc1ccc(cc1)I 7a_100000212066_100000210211 [2,0,0,0,0,0|2,0,0]=4 2276 B12R1.1 CCCCOc1ccc(cc1)N 34a_100000185829_100000210210 [2,0,0,0,0,0|1,0,1]=4 2277 B12R1.1 CCCCOc1ccc(cc1)O 271570a_203496583355_100000230682 [2,0,0,0,0,0|1,0,1]=4 2278 B12R1.1 Cc1ccc(cc1)NCCCO 34a_100000124888_100000230001 [2,0,0,0,0,0|2,0,0]=4 2279 B12R1.1 Cc1ccc(cc1)OCCCF 34a_100000210336_100011934791 [2,0,0,0,0,0|2,0,0]=4 2280 B12R1.1 Cc1ccc(cc1)OCCCF 7a_100000210336_100011934791 [2,0,0,0,0,0|2,0,0]=4 2281 B12R1.1 Cc1ccc(cc1)OCCCO 34a_100000210336_100000230001 [2,0,0,0,0,0|1,0,0]=3 2282 B12R1.1 Cc1ccc(cc1)OCCCO 7a_100000210336_100011215043 [2,0,0,0,0,0|1,0,0]=3 2283 B12R1.1 Cc1ccc(cc1)SCCCO 62a_100000186775_100011215043 [2,0,0,0,0,0|1,1,0]=4 2284 B12R1.1 Cc1ccc(cc1)SCCCO 62a_100011215043_100000186775 [2,0,0,0,0,0|1,1,0]=4 2285 B12R1.1 Cc1ccc(cn1)OCCCO 34a_100000745506_100000230001 [2,0,0,0,0,0|2,0,0]=4 2286 B12R1.1 Cc1ccc(cn1)OCCCO 7a_100000745506_100011215043 [2,0,0,0,0,0|2,0,0]=4 2287 B12R1.1 Cc1ccc(nc1)OCCCO 34a_100000759353_100000230001 [2,0,0,0,0,0|2,0,0]=4 2288 B12R1.1 FCCCOc1ccc(cc1)Br 34a_100000185759_100011934791 [2,0,0,0,0,0|2,0,0]=4 2289 B12R1.1 FCCCOc1ccc(cc1)Br 7a_100000185759_100011934791 [2,0,0,0,0,0|2,0,0]=4 2290 B12R1.1 FCCCOc1ccc(cc1)Cl 34a_100000210216_100011934791 [2,0,0,0,0,0|2,0,0]=4 2291 B12R1.1 FCCCOc1ccc(cc1)Cl 7a_100000210216_100011934791 [2,0,0,0,0,0|2,0,0]=4 2292 B12R1.1 FCCCOc1ccc(cc1)F 34a_100000210339_100011934791 [2,0,0,0,0,0|2,0,0]=4 2293 B12R1.1 FCCCOc1ccc(cc1)I 34a_100000212066_100011934791 [2,0,0,0,0,0|2,0,0]=4 2294 B12R1.1 FCCCOc1ccc(cc1)I 7a_100000212066_100011934791 [2,0,0,0,0,0|2,0,0]=4 2295 B12R1.1 Nc1ccc(cc1)OCCCF 34a_100000185829_100011934791 [2,0,0,0,0,0|1,0,1]=4 2296 B12R1.1 Nc1ccc(cc1)OCCCO 34a_100000185829_100000230001 [2,0,0,0,0,0|0,0,1]=3 2297 B12R1.1 Nc1ccc(cc1)SCCCO 62a_100000185761_100011215043 [2,0,0,0,0,0|0,1,1]=4 2298 B12R1.1 Nc1ccc(cc1)SCCCO 62a_100011215043_100000185761 [2,0,0,0,0,0|0,1,1]=4 2299 B12R1.1 Nc1ccc(cn1)OCCCO 34a_100015188713_100000230001 [2,0,0,0,0,0|1,0,1]=4 2300 B12R1.1 Nc1ccc(cn1)OCCCO 7a_100015188713_100011215043 [2,0,0,0,0,0|1,0,1]=4 2301 B12R1.1 Nc1ccc(nc1)OCCCO 34a_100000729260_100000230001 [2,0,0,0,0,0|1,0,1]=4 2302 B12R1.1 O=c1ccc(c[nH]1)OCCCF 34a_100000075641_100011934791 [2,0,0,0,0,0|2,0,0]=4 2303 B12R1.1 O=c1ccc(c[nH]1)OCCCO 34a_100000075641_100000230001 [2,0,0,0,0,0|1,0,0]=3 2304 B12R1.1 O=c1ccc(c[nH]1)SCCCO 62a_100000212171_100011215043 [2,0,0,0,0,0|1,1,0]=4 2305 B12R1.1 O=c1ccc(c[nH]1)SCCCO 62a_100011215043_100000212171 [2,0,0,0,0,0|1,1,0]=4 2306 B12R1.1 OCCCNc1ccc(cc1)Br 2230a_100000210018_100000230001 [2,0,0,0,0,0|2,0,0]=4 2307 B12R1.1 OCCCNc1ccc(cc1)Br 34a_100000210018_100000230001 [2,0,0,0,0,0|2,0,0]=4 2308 B12R1.1 OCCCNc1ccc(cc1)Cl 2230a_100000210052_100000230001 [2,0,0,0,0,0|2,0,0]=4 2309 B12R1.1 OCCCNc1ccc(cc1)Cl 34a_100000210052_100000230001 [2,0,0,0,0,0|2,0,0]=4 2310 B12R1.1 OCCCNc1ccc(cc1)F 34a_100000185862_100000230001 [2,0,0,0,0,0|2,0,0]=4 2311 B12R1.1 OCCCNc1ccc(cc1)I 34a_100000185761_100000230001 [2,0,0,0,0,0|2,0,0]=4 2312 B12R1.1 OCCCNc1ccc(cc1)O 34a_100000185829_100000230001 [2,0,0,0,0,0|1,0,1]=4 2313 B12R1.1 OCCCOc1ccc(cc1)Br 34a_100000185759_100000230001 [2,0,0,0,0,0|1,0,0]=3 2314 B12R1.1 OCCCOc1ccc(cc1)Br 7a_100000185759_100011215043 [2,0,0,0,0,0|1,0,0]=3 2315 B12R1.1 OCCCOc1ccc(cc1)Cl 34a_100000210216_100000230001 [2,0,0,0,0,0|1,0,0]=3 2316 B12R1.1 OCCCOc1ccc(cc1)Cl 7a_100000210216_100011215043 [2,0,0,0,0,0|1,0,0]=3 2317 B12R1.1 OCCCOc1ccc(cc1)F 34a_100000210339_100000230001 [2,0,0,0,0,0|1,0,0]=3 2318 B12R1.1 OCCCOc1ccc(cc1)I 34a_100000212066_100000230001 [2,0,0,0,0,0|1,0,0]=3 2319 B12R1.1 OCCCOc1ccc(cc1)I 7a_100000212066_100011215043 [2,0,0,0,0,0|1,0,0]=3 2320 B12R1.1 OCCCOc1ccc(cc1)O 271570a_203496583355_100000756186 [2,0,0,0,0,0|0,0,1]=3 2321 B12R1.1 OCCCOc1ccc(cn1)Cl 34a_100011215309_100000230001 [2,0,0,0,0,0|2,0,0]=4 2322 B12R1.1 OCCCOc1ccc(cn1)F 34a_100000742473_100000230001 [2,0,0,0,0,0|2,0,0]=4 2323 B12R1.1 OCCCOc1ccc(nc1)Br 34a_100000685995_100000230001 [2,0,0,0,0,0|2,0,0]=4 2324 B12R1.1 OCCCOc1ccc(nc1)Br 7a_100000685995_100011215043 [2,0,0,0,0,0|2,0,0]=4 2325 B12R1.1 OCCCOc1ccc(nc1)Cl 34a_100000744096_100000230001 [2,0,0,0,0,0|2,0,0]=4 2326 B12R1.1 OCCCOc1ccc(nc1)Cl 7a_100000744096_100011215043 [2,0,0,0,0,0|2,0,0]=4 2327 B12R1.1 OCCCOc1ccc(nc1)F 34a_100000688820_100000230001 [2,0,0,0,0,0|2,0,0]=4 2328 B12R1.1 OCCCOc1ccc(nc1)F 7a_100000688820_100011215043 [2,0,0,0,0,0|2,0,0]=4 2329 B12R1.1 OCCCOc1ccc(nc1)I 34a_100000687607_100000230001 [2,0,0,0,0,0|2,0,0]=4 2330 B12R1.1 OCCCOc1ccc(nc1)I 7a_100000687607_100011215043 [2,0,0,0,0,0|2,0,0]=4 2331 B12R1.1 OCCCSc1ccc(cc1)Br 62a_100000752885_100011215043 [2,0,0,0,0,0|1,1,0]=4 2332 B12R1.1 OCCCSc1ccc(cc1)Br 62a_100011215043_100000752885 [2,0,0,0,0,0|1,1,0]=4 2333 B12R1.1 OCCCSc1ccc(cc1)Cl 62a_100000755918_100011215043 [2,0,0,0,0,0|1,1,0]=4 2334 B12R1.1 OCCCSc1ccc(cc1)Cl 62a_100011215043_100000755918 [2,0,0,0,0,0|1,1,0]=4 2335 B12R1.1 OCCCSc1ccc(cc1)F 62a_100000211213_100011215043 [2,0,0,0,0,0|1,1,0]=4 2336 B12R1.1 OCCCSc1ccc(cc1)F 62a_100011215043_100000211213 [2,0,0,0,0,0|1,1,0]=4 2337 B12R1.1 OCCCSc1ccc(cc1)O 62a_100011215043_100000185759 [2,0,0,0,0,0|0,1,1]=4 2338 B12R1.1 [O-][n+]1ccc(cc1)SCCCO 62a_100011215043_100000039755 [2,0,0,0,0,0|1,1,0]=4 2339 B14R1.65 CCC(=O)c1ccc(cc1)OCCO 1458a_100000217286_100000210202 [1,1,0,0,0,0|2,0,0]=4 2340 B14R1.65 CCC(=O)c1ccc(cc1)OCCO 34a_100000212119_100000211926 [1,1,0,0,0,0|2,0,0]=4 2341 B14R1.65 CCC(=O)c1ccc(cc1)OCCO 7a_100000212119_100000211926 [1,1,0,0,0,0|2,0,0]=4 2342 B14R1.65 CCCOc1ccc(cc1)C(=O)CBr 7a_100009814261_100000210303 [1,1,0,0,0,0|2,0,0]=4 2343 B14R1.65 CCCOc1ccc(cc1)C(=O)CC 1458a_100000182924_100000210202 [1,1,0,0,0,0|2,0,0]=4 2344 B14R1.65 CCCOc1ccc(cc1)C(=O)CC 34a_100000212119_100000210303 [1,1,0,0,0,0|2,0,0]=4 2345 B14R1.65 CCCOc1ccc(cc1)C(=O)CC 7a_100000212119_100000210303 [1,1,0,0,0,0|2,0,0]=4 2346 B14R1.65 CCCOc1ccc(cc1)C(=O)CCl 7a_100000018856_100000210303 [1,1,0,0,0,0|2,0,0]=4 2347 B14R1.65 CCCOc1ccc(cc1)C(=O)CF 1458a_100000182924_100015361967 [1,1,0,0,0,0|2,0,0]=4 2348 B14R1.65 CCCOc1ccc(cc1)C(=O)CF 34a_200010654591_100000210303 [1,1,0,0,0,0|2,0,0]=4 2349 B14R1.65 CCCOc1ccc(cc1)C(=O)CF 7a_200010654591_100000210303 [1,1,0,0,0,0|2,0,0]=4 2350 B14R1.65 CCCOc1ccc(cc1)C(=O)NC 11a_106832991635_100000182924 [1,1,0,0,0,0|2,0,0]=4 2351 B14R1.65 CCCOc1ccc(cc1)C(=O)NC 1626a_100102657272_100000182924 [1,1,0,0,0,0|2,0,0]=4 2352 B14R1.65 CCCOc1ccc(cc1)C(=O)NC 240690a_100102657272_100000182924 [1,1,0,0,0,0|2,0,0]=4 2353 B14R1.65 CCCOc1ccc(cc1)C(=O)NC 34a_100000192141_100000210303 [1,1,0,0,0,0|2,0,0]=4 2354 B14R1.65 CCCOc1ccc(cc1)C(=O)NC 527a_100102657272_100000182924 [1,1,0,0,0,0|2,0,0]=4 2355 B14R1.65 CCCOc1ccc(cc1)C(=O)NC 7a_100000192141_100000210303 [1,1,0,0,0,0|2,0,0]=4 2356 B14R1.65 CCCOc1ccc(cc1)C(=O)NN 34a_100000185078_100000210303 [1,1,0,0,0,0|2,0,0]=4 2357 B14R1.65 CCCOc1ccc(cc1)C(=O)OC 34a_100000150123_100000210303 [1,1,0,0,0,0|1,0,1]=4 2358 B14R1.65 CCCOc1ccc(cc1)C(=O)OC 7a_100000150123_100000210303 [1,1,0,0,0,0|1,0,1]=4 2359 B14R1.65 CNC(=O)c1ccc(cc1)OCCO 1626a_100102657272_100000217286 [1,1,0,0,0,0|2,0,0]=4 2360 B14R1.65 CNC(=O)c1ccc(cc1)OCCO 240690a_100102657272_100000217286 [1,1,0,0,0,0|2,0,0]=4 2361 B14R1.65 CNC(=O)c1ccc(cc1)OCCO 34a_100000192141_100000211926 [1,1,0,0,0,0|2,0,0]=4 2362 B14R1.65 CNC(=O)c1ccc(cc1)OCCO 7a_100000192141_100000211926 [1,1,0,0,0,0|2,0,0]=4 2363 B14R1.65 COC(=O)c1ccc(cc1)OCCO 34a_100000150123_100000211926 [1,1,0,0,0,0|1,0,1]=4 2364 B14R1.65 COC(=O)c1ccc(cc1)OCCO 7a_100000150123_100000211926 [1,1,0,0,0,0|1,0,1]=4 2365 B14R1.65 NNC(=O)c1ccc(cc1)OCCO 34a_100000185078_100000211926 [1,1,0,0,0,0|2,0,0]=4 2366 B14R1.65 O=C(CBr)c1ccc(cc1)OCCO 7a_100009814261_100000211926 [1,1,0,0,0,0|2,0,0]=4 2367 B14R1.65 O=C(CCl)c1ccc(cc1)OCCO 7a_100000018856_100000211926 [1,1,0,0,0,0|2,0,0]=4 2368 B14R1.65 O=C(CF)c1ccc(cc1)OCCO 1458a_100000217286_100015361967 [1,1,0,0,0,0|2,0,0]=4 2369 B14R1.65 O=C(CF)c1ccc(cc1)OCCO 34a_200010654591_100000211926 [1,1,0,0,0,0|2,0,0]=4 2370 B14R1.65 O=C(CF)c1ccc(cc1)OCCO 7a_200010654591_100000211926 [1,1,0,0,0,0|2,0,0]=4 2371 B14R1.66 CCCOc1ccc(cc1)S(=O)(=O)C 34a_100000230201_100000210303 [1,1,0,0,0,0|1,0,1]=4 2372 B14R1.66 CCCOc1ccc(cc1)S(=O)(=O)C 7a_100000230201_100000210303 [1,1,0,0,0,0|1,0,1]=4 2373 B14R1.66 CCCOc1ccc(cc1)S(=O)(=O)N 34a_100000738502_100000210303 [1,1,0,0,0,0|1,0,1]=4 2374 B14R1.66 CCCOc1ccc(cc1)S(=O)(=O)N 7a_100000738502_100000210303 [1,1,0,0,0,0|1,0,1]=4 2375 B14R1.66 CCCOc1ccc(cc1)S(=O)(=O)[O-] 7a_100000698548_100000210303 [1,1,0,0,0,0|1,0,0]=3 2376 B14R1.66 CS(=O)(=O)c1ccc(cc1)OCCO 34a_100000230201_100000211926 [1,1,0,0,0,0|1,0,1]=4 2377 B14R1.66 CS(=O)(=O)c1ccc(cc1)OCCO 7a_100000230201_100000211926 [1,1,0,0,0,0|1,0,1]=4 2378 B14R1.66 NS(=O)(=O)c1ccc(cc1)OCCO 34a_100000738502_100000211926 [1,1,0,0,0,0|1,0,1]=4 2379 B14R1.66 NS(=O)(=O)c1ccc(cc1)OCCO 7a_100000738502_100000211926 [1,1,0,0,0,0|1,0,1]=4 2380 B14R1.66 O=S(=O)([O-])c1ccc(cc1)OCCF 7a_100000698548_100011217306 [1,1,0,0,0,0|2,0,0]=4 2381 B14R1.66 O=S(=O)([O-])c1ccc(cc1)OCCO 7a_100000698548_100000211926 [1,1,0,0,0,0|1,0,0]=3 2382 B14R1.71 C#CCOc1ccc(cc1Br)[N+](=O)[O-] 34a_100000756651_100000184674 [1,1,0,0,0,0|0,0,2]=4 2383 B14R1.71 C#CCOc1ccc(cc1Br)[N+](=O)[O-] 7a_100000756651_100000038162 [1,1,0,0,0,0|0,0,2]=4 2384 B14R1.71 C#CCOc1ccc(cc1C)[N+](=O)[O-] 34a_100000744956_100000184674 [1,1,0,0,0,0|0,0,2]=4 2385 B14R1.71 C#CCOc1ccc(cc1C)[N+](=O)[O-] 7a_100000744956_100000038162 [1,1,0,0,0,0|0,0,2]=4 2386 B14R1.71 C#CCOc1ccc(cc1Cl)[N+](=O)[O-] 34a_100000206008_100000184674 [1,1,0,0,0,0|0,0,2]=4 2387 B14R1.71 C#CCOc1ccc(cc1Cl)[N+](=O)[O-] 7a_100000206008_100000038162 [1,1,0,0,0,0|0,0,2]=4 2388 B14R1.71 C#CCOc1ccc(cc1F)[N+](=O)[O-] 34a_100000739697_100000184674 [1,1,0,0,0,0|0,0,2]=4 2389 B14R1.71 C#CCOc1ccc(cc1F)[N+](=O)[O-] 7a_100000739697_100000038162 [1,1,0,0,0,0|0,0,2]=4 2390 B14R1.71 C#CCOc1ccc(cc1I)[N+](=O)[O-] 34a_100012047213_100000184674 [1,1,0,0,0,0|0,0,2]=4 2391 B14R1.71 C#CCOc1ccc(cc1I)[N+](=O)[O-] 7a_100012047213_100000038162 [1,1,0,0,0,0|0,0,2]=4 2392 B14R1.71 C#CCOc1ccc(cc1N)[N+](=O)[O-] 34a_100000181223_100000184674 [1,1,0,0,0,0|0,0,2]=4 2393 B14R1.71 C#CCOc1ccc(cc1N)[N+](=O)[O-] 7a_100000181223_100000038162 [1,1,0,0,0,0|0,0,2]=4 2394 B14R1.71 C=CCOc1ccc(cc1Br)[N+](=O)[O-] 34a_100000756651_100015514636 [1,1,0,0,0,0|0,0,2]=4 2395 B14R1.71 C=CCOc1ccc(cc1Br)[N+](=O)[O-] 7a_100000756651_100015514636 [1,1,0,0,0,0|0,0,2]=4 2396 B14R1.71 C=CCOc1ccc(cc1C)[N+](=O)[O-] 34a_100000744956_100015514636 [1,1,0,0,0,0|0,0,2]=4 2397 B14R1.71 C=CCOc1ccc(cc1C)[N+](=O)[O-] 7a_100000744956_100015514636 [1,1,0,0,0,0|0,0,2]=4 2398 B14R1.71 C=CCOc1ccc(cc1Cl)[N+](=O)[O-] 34a_100000206008_100015514636 [1,1,0,0,0,0|0,0,2]=4 2399 B14R1.71 C=CCOc1ccc(cc1Cl)[N+](=O)[O-] 7a_100000206008_100015514636 [1,1,0,0,0,0|0,0,2]=4 2400 B14R1.71 C=CCOc1ccc(cc1F)[N+](=O)[O-] 34a_100000739697_100015514636 [1,1,0,0,0,0|0,0,2]=4 2401 B14R1.71 C=CCOc1ccc(cc1F)[N+](=O)[O-] 7a_100000739697_100015514636 [1,1,0,0,0,0|0,0,2]=4 2402 B14R1.71 C=CCOc1ccc(cc1I)[N+](=O)[O-] 34a_100012047213_100015514636 [1,1,0,0,0,0|0,0,2]=4 2403 B14R1.71 C=CCOc1ccc(cc1I)[N+](=O)[O-] 7a_100012047213_100015514636 [1,1,0,0,0,0|0,0,2]=4 2404 B14R1.71 C=CCOc1ccc(cc1N)[N+](=O)[O-] 34a_100000181223_100015514636 [1,1,0,0,0,0|0,0,2]=4 2405 B14R1.71 C=CCOc1ccc(cc1N)[N+](=O)[O-] 7a_100000181223_100015514636 [1,1,0,0,0,0|0,0,2]=4 2406 B14R1.71 CC(=O)c1ccc(c(c1)Br)OCCO 34a_100011772453_100000211926 [1,1,0,0,0,0|2,0,0]=4 2407 B14R1.71 CC(=O)c1ccc(c(c1)Br)OCCO 7a_100011772453_100000211926 [1,1,0,0,0,0|2,0,0]=4 2408 B14R1.71 CC(=O)c1ccc(c(c1)C)OCCO 34a_100000188726_100000211926 [1,1,0,0,0,0|2,0,0]=4 2409 B14R1.71 CC(=O)c1ccc(c(c1)C)OCCO 7a_100000188726_100000211926 [1,1,0,0,0,0|2,0,0]=4 2410 B14R1.71 CC(=O)c1ccc(c(c1)Cl)OCCO 34a_100000188625_100000211926 [1,1,0,0,0,0|2,0,0]=4 2411 B14R1.71 CC(=O)c1ccc(c(c1)Cl)OCCO 7a_100000188625_100000211926 [1,1,0,0,0,0|2,0,0]=4 2412 B14R1.71 CC(=O)c1ccc(c(c1)F)OCCO 34a_100000751691_100000211926 [1,1,0,0,0,0|2,0,0]=4 2413 B14R1.71 CC(=O)c1ccc(c(c1)F)OCCO 7a_100000751691_100000211926 [1,1,0,0,0,0|2,0,0]=4 2414 B14R1.71 CC(=O)c1ccc(c(c1)N)OCCO 34a_100000117292_100000211926 [1,1,0,0,0,0|2,0,0]=4 2415 B14R1.71 CC(=O)c1ccc(c(c1)N)OCCO 7a_100000117292_100000211926 [1,1,0,0,0,0|2,0,0]=4 2416 B14R1.71 CCCNc1ccc(cc1C)[N+](=O)[O-] 2230a_100000184110_100000210303 [1,1,0,0,0,0|1,0,0]=3 2417 B14R1.71 CCCNc1ccc(cc1C)[N+](=O)[O-] 34a_100000184110_100000210303 [1,1,0,0,0,0|1,0,0]=3 2418 B14R1.71 CCCNc1ccc(cc1C)[N+](=O)[O-] 7a_100000184110_100000210303 [1,1,0,0,0,0|1,0,0]=3 2419 B14R1.71 CCCNc1ccc(cc1Cl)[N+](=O)[O-] 34a_100000185723_100000210303 [1,1,0,0,0,0|1,0,0]=3 2420 B14R1.71 CCCNc1ccc(cc1F)[N+](=O)[O-] 34a_100000745739_100000210303 [1,1,0,0,0,0|1,0,0]=3 2421 B14R1.71 CCCOc1ccc(cc1Br)C(=O)C 34a_100011772453_100000210303 [1,1,0,0,0,0|2,0,0]=4 2422 B14R1.71 CCCOc1ccc(cc1Br)C(=O)C 7a_100011772453_100000210303 [1,1,0,0,0,0|2,0,0]=4 2423 B14R1.71 CCCOc1ccc(cc1Br)[N+](=O)[O-] 34a_100000756651_100000210303 [1,1,0,0,0,0|0,0,0]=2 2424 B14R1.71 CCCOc1ccc(cc1Br)[N+](=O)[O-] 7a_100000756651_100000210303 [1,1,0,0,0,0|0,0,0]=2 2425 B14R1.71 CCCOc1ccc(cc1C)C(=O)C 34a_100000188726_100000210303 [1,1,0,0,0,0|2,0,0]=4 2426 B14R1.71 CCCOc1ccc(cc1C)C(=O)C 7a_100000188726_100000210303 [1,1,0,0,0,0|2,0,0]=4 2427 B14R1.71 CCCOc1ccc(cc1C)[N+](=O)[O-] 34a_100000744956_100000210303 [1,1,0,0,0,0|0,0,0]=2 2428 B14R1.71 CCCOc1ccc(cc1C)[N+](=O)[O-] 7a_100000744956_100000210303 [1,1,0,0,0,0|0,0,0]=2 2429 B14R1.71 CCCOc1ccc(cc1Cl)C(=O)C 1458a_100000217228_200000210301 [1,1,0,0,0,0|2,0,0]=4 2430 B14R1.71 CCCOc1ccc(cc1Cl)C(=O)C 34a_100000188625_100000210303 [1,1,0,0,0,0|2,0,0]=4 2431 B14R1.71 CCCOc1ccc(cc1Cl)C(=O)C 7a_100000188625_100000210303 [1,1,0,0,0,0|2,0,0]=4 2432 B14R1.71 CCCOc1ccc(cc1Cl)C(=O)N 34a_200000192832_100000210303 [1,1,0,0,0,0|2,0,0]=4 2433 B14R1.71 CCCOc1ccc(cc1Cl)C(=O)N 7a_200000192832_100000210303 [1,1,0,0,0,0|2,0,0]=4 2434 B14R1.71 CCCOc1ccc(cc1Cl)C(=O)[13CH3] 1458a_100000217228_200025704644 [1,1,0,0,0,0|2,0,0]=4 2435 B14R1.71 CCCOc1ccc(cc1Cl)[N+](=O)[O-] 34a_100000206008_100000210303 [1,1,0,0,0,0|0,0,0]=2 2436 B14R1.71 CCCOc1ccc(cc1Cl)[N+](=O)[O-] 7a_100000206008_100000210303 [1,1,0,0,0,0|0,0,0]=2 2437 B14R1.71 CCCOc1ccc(cc1F)C(=O)C 34a_100000751691_100000210303 [1,1,0,0,0,0|2,0,0]=4 2438 B14R1.71 CCCOc1ccc(cc1F)C(=O)C 7a_100000751691_100000210303 [1,1,0,0,0,0|2,0,0]=4 2439 B14R1.71 CCCOc1ccc(cc1F)[N+](=O)[O-] 34a_100000739697_100000210303 [1,1,0,0,0,0|0,0,0]=2 2440 B14R1.71 CCCOc1ccc(cc1F)[N+](=O)[O-] 7a_100000739697_100000210303 [1,1,0,0,0,0|0,0,0]=2 2441 B14R1.71 CCCOc1ccc(cc1I)[N+](=O)[O-] 34a_100012047213_100000210303 [1,1,0,0,0,0|0,0,0]=2 2442 B14R1.71 CCCOc1ccc(cc1I)[N+](=O)[O-] 7a_100012047213_100000210303 [1,1,0,0,0,0|0,0,0]=2 2443 B14R1.71 CCCOc1ccc(cc1N)C(=O)C 34a_100000117292_100000210303 [1,1,0,0,0,0|2,0,0]=4 2444 B14R1.71 CCCOc1ccc(cc1N)C(=O)C 7a_100000117292_100000210303 [1,1,0,0,0,0|2,0,0]=4 2445 B14R1.71 CCCOc1ccc(cc1N)[N+](=O)[O-] 34a_100000181223_100000210303 [1,1,0,0,0,0|0,0,0]=2 2446 B14R1.71 CCCOc1ccc(cc1N)[N+](=O)[O-] 7a_100000181223_100000210303 [1,1,0,0,0,0|0,0,0]=2 2447 B14R1.71 CCCOc1ccc(nc1C)[N+](=O)[O-] 7a_100009862445_100000210303 [1,1,0,0,0,0|1,0,0]=3 2448 B14R1.71 CCCOc1cnc(cc1C)[N+](=O)[O-] 7a_100015695027_100000210303 [1,1,0,0,0,0|1,0,0]=3 2449 B14R1.71 CCCOc1ncc(cc1F)[N+](=O)[O-] 34a_100000100219_100000210303 [1,1,0,0,0,0|1,0,0]=3 2450 B14R1.71 CCNCc1ccc(cc1Br)[N+](=O)[O-] 2230a_100015525214_100000741879 [1,1,0,0,0,0|2,0,0]=4 2451 B14R1.71 CCNCc1ccc(cc1Br)[N+](=O)[O-] 270004a_100015525214_100011202981 [1,1,0,0,0,0|2,0,0]=4 2452 B14R1.71 CCNCc1ccc(cc1C)[N+](=O)[O-] 207a_100015525214_100000695237 [1,1,0,0,0,0|2,0,0]=4 2453 B14R1.71 CCNCc1ccc(cc1C)[N+](=O)[O-] 2230a_100015525214_100010218038 [1,1,0,0,0,0|2,0,0]=4 2454 B14R1.71 CCNCc1ccc(cc1Cl)[N+](=O)[O-] 2230a_100015525214_100000747184 [1,1,0,0,0,0|2,0,0]=4 2455 B14R1.71 CCNCc1ccc(cc1Cl)[N+](=O)[O-] 270004a_100015525214_100000755334 [1,1,0,0,0,0|2,0,0]=4 2456 B14R1.71 CCNCc1ccc(cc1F)[N+](=O)[O-] 2230a_100015525214_100000759423 [1,1,0,0,0,0|2,0,0]=4 2457 B14R1.71 CCNCc1ccc(cc1F)[N+](=O)[O-] 34a_100016989035_100000210202 [1,1,0,0,0,0|2,0,0]=4 2458 B14R1.71 CCOCc1ccc(cc1Br)[N+](=O)[O-] 34a_100121572206_100000741879 [1,1,0,0,0,0|2,0,0]=4 2459 B14R1.71 CCOCc1ccc(cc1C)[N+](=O)[O-] 34a_100009883322_100000210202 [1,1,0,0,0,0|2,0,0]=4 2460 B14R1.71 CCOCc1ccc(cc1C)[N+](=O)[O-] 34a_100121572206_100010218038 [1,1,0,0,0,0|2,0,0]=4 2461 B14R1.71 CCOCc1ccc(cc1C)[N+](=O)[O-] 7a_100009883322_100000210202 [1,1,0,0,0,0|2,0,0]=4 2462 B14R1.71 CCOCc1ccc(cc1Cl)[N+](=O)[O-] 34a_100000694850_100000210202 [1,1,0,0,0,0|2,0,0]=4 2463 B14R1.71 CCOCc1ccc(cc1Cl)[N+](=O)[O-] 34a_100121572206_100000747184 [1,1,0,0,0,0|2,0,0]=4 2464 B14R1.71 CCOCc1ccc(cc1Cl)[N+](=O)[O-] 7a_100000694850_100000210202 [1,1,0,0,0,0|2,0,0]=4 2465 B14R1.71 CCOCc1ccc(cc1F)[N+](=O)[O-] 34a_100012002375_100000210202 [1,1,0,0,0,0|2,0,0]=4 2466 B14R1.71 CCOCc1ccc(cc1F)[N+](=O)[O-] 34a_100121572206_100000759423 [1,1,0,0,0,0|2,0,0]=4 2467 B14R1.71 CCOCc1ccc(cc1F)[N+](=O)[O-] 7a_100012002375_100000210202 [1,1,0,0,0,0|2,0,0]=4 2468 B14R1.71 CCOCc1ccc(cc1I)[N+](=O)[O-] 7a_200010150283_100000210202 [1,1,0,0,0,0|2,0,0]=4 2469 B14R1.71 CCOCc1ccc(cc1N)[N+](=O)[O-] 34a_100011934201_100000210202 [1,1,0,0,0,0|2,0,0]=4 2470 B14R1.71 CCSCc1ccc(cc1Br)[N+](=O)[O-] 62a_100000741879_100000210202 [1,1,0,0,0,0|2,0,0]=4 2471 B14R1.71 COCNc1ccc(cc1C)[N+](=O)[O-] 2230a_100000184110_100000766300 [1,1,0,0,0,0|2,0,0]=4 2472 B14R1.71 CSCNc1ccc(cc1C)[N+](=O)[O-] 2230a_100000184110_100011218213 [1,1,0,0,0,0|2,0,0]=4 2473 B14R1.71 CSCNc1ccc(cc1C)[N+](=O)[O-] 34a_100000184110_100011218213 [1,1,0,0,0,0|2,0,0]=4 2474 B14R1.71 CSCNc1ccc(cc1Cl)[N+](=O)[O-] 34a_100000185723_100011218213 [1,1,0,0,0,0|2,0,0]=4 2475 B14R1.71 CSCNc1ccc(cc1F)[N+](=O)[O-] 34a_100000745739_100011218213 [1,1,0,0,0,0|2,0,0]=4 2476 B14R1.71 CSCOc1ccc(cc1Br)[N+](=O)[O-] 34a_100000756651_100011218213 [1,1,0,0,0,0|1,0,0]=3 2477 B14R1.71 CSCOc1ccc(cc1C)[N+](=O)[O-] 34a_100000744956_100011218213 [1,1,0,0,0,0|1,0,0]=3 2478 B14R1.71 CSCOc1ccc(cc1Cl)[N+](=O)[O-] 34a_100000206008_100011218213 [1,1,0,0,0,0|1,0,0]=3 2479 B14R1.71 CSCOc1ccc(cc1F)[N+](=O)[O-] 34a_100000739697_100011218213 [1,1,0,0,0,0|1,0,0]=3 2480 B14R1.71 CSCOc1ccc(cc1I)[N+](=O)[O-] 34a_100012047213_100011218213 [1,1,0,0,0,0|1,0,0]=3 2481 B14R1.71 CSCOc1ccc(cc1N)[N+](=O)[O-] 34a_100000181223_100011218213 [1,1,0,0,0,0|1,0,0]=3 2482 B14R1.71 CSCOc1ncc(cc1F)[N+](=O)[O-] 34a_100000100219_100011218213 [1,1,0,0,0,0|2,0,0]=4 2483 B14R1.71 Cc1cc(ccc1COCF)[N+](=O)[O-] 34a_100009883322_100015361967 [1,1,0,0,0,0|2,0,0]=4 2484 B14R1.71 Cc1cc(ccc1COCF)[N+](=O)[O-] 7a_100009883322_100015361967 [1,1,0,0,0,0|2,0,0]=4 2485 B14R1.71 Cc1cc(ccc1NCCF)[N+](=O)[O-] 2230a_100000184110_100011217306 [1,1,0,0,0,0|2,0,0]=4 2486 B14R1.71 Cc1cc(ccc1NCCF)[N+](=O)[O-] 34a_100000184110_100011217306 [1,1,0,0,0,0|2,0,0]=4 2487 B14R1.71 Cc1cc(ccc1NCCF)[N+](=O)[O-] 7a_100000184110_100011217306 [1,1,0,0,0,0|2,0,0]=4 2488 B14R1.71 Cc1cc(ccc1NCCO)[N+](=O)[O-] 2230a_100000184110_100000211926 [1,1,0,0,0,0|1,0,0]=3 2489 B14R1.71 Cc1cc(ccc1NCCO)[N+](=O)[O-] 34a_100000184110_100000211926 [1,1,0,0,0,0|1,0,0]=3 2490 B14R1.71 Cc1cc(ccc1NCCO)[N+](=O)[O-] 7a_100000184110_100000211926 [1,1,0,0,0,0|1,0,0]=3 2491 B14R1.71 Cc1cc(ccc1OCC#N)[N+](=O)[O-] 7a_100000744956_100011215382 [1,1,0,0,0,0|1,0,1]=4 2492 B14R1.71 Cc1cc(ccc1OCC=O)[N+](=O)[O-] 34a_100000744956_200009817547 [1,1,0,0,0,0|0,0,2]=4 2493 B14R1.71 Cc1cc(ccc1OCC=O)[N+](=O)[O-] 7a_100000744956_200015260668 [1,1,0,0,0,0|0,0,2]=4 2494 B14R1.71 Cc1cc(ccc1OCCF)[N+](=O)[O-] 34a_100000744956_100011217306 [1,1,0,0,0,0|1,0,0]=3 2495 B14R1.71 Cc1cc(ccc1OCCF)[N+](=O)[O-] 7a_100000744956_100011217306 [1,1,0,0,0,0|1,0,0]=3 2496 B14R1.71 Cc1cc(ccc1OCCO)[N+](=O)[O-] 34a_100000744956_100000211926 [1,1,0,0,0,0|0,0,0]=2 2497 B14R1.71 Cc1cc(ccc1OCCO)[N+](=O)[O-] 7a_100000744956_100000211926 [1,1,0,0,0,0|0,0,0]=2 2498 B14R1.71 Cc1cc(ncc1OCCF)[N+](=O)[O-] 7a_100015695027_100011217306 [1,1,0,0,0,0|2,0,0]=4 2499 B14R1.71 Cc1cc(ncc1OCCO)[N+](=O)[O-] 7a_100015695027_100000211926 [1,1,0,0,0,0|1,0,0]=3 2500 B14R1.71 Cc1nc(ccc1OCCF)[N+](=O)[O-] 7a_100009862445_100011217306 [1,1,0,0,0,0|2,0,0]=4 2501 B14R1.71 Cc1nc(ccc1OCCO)[N+](=O)[O-] 7a_100009862445_100000211926 [1,1,0,0,0,0|1,0,0]=3 2502 B14R1.71 N#CCOc1ccc(cc1Br)[N+](=O)[O-] 7a_100000756651_100011215382 [1,1,0,0,0,0|1,0,1]=4 2503 B14R1.71 N#CCOc1ccc(cc1Cl)[N+](=O)[O-] 7a_100000206008_100011215382 [1,1,0,0,0,0|1,0,1]=4 2504 B14R1.71 N#CCOc1ccc(cc1F)[N+](=O)[O-] 7a_100000739697_100011215382 [1,1,0,0,0,0|1,0,1]=4 2505 B14R1.71 N#CCOc1ccc(cc1I)[N+](=O)[O-] 7a_100012047213_100011215382 [1,1,0,0,0,0|1,0,1]=4 2506 B14R1.71 N#CCOc1ccc(cc1N)[N+](=O)[O-] 7a_100000181223_100011215382 [1,1,0,0,0,0|1,0,1]=4 2507 B14R1.71 NC(=O)c1ccc(c(c1)Cl)OCCO 34a_200000192832_100000211926 [1,1,0,0,0,0|2,0,0]=4 2508 B14R1.71 NC(=O)c1ccc(c(c1)Cl)OCCO 7a_200000192832_100000211926 [1,1,0,0,0,0|2,0,0]=4 2509 B14R1.71 Nc1cc(ccc1COCF)[N+](=O)[O-] 34a_100011934201_100015361967 [1,1,0,0,0,0|2,0,0]=4 2510 B14R1.71 Nc1cc(ccc1OCC=O)[N+](=O)[O-] 34a_100000181223_200009817547 [1,1,0,0,0,0|0,0,2]=4 2511 B14R1.71 Nc1cc(ccc1OCC=O)[N+](=O)[O-] 7a_100000181223_200015260668 [1,1,0,0,0,0|0,0,2]=4 2512 B14R1.71 Nc1cc(ccc1OCCF)[N+](=O)[O-] 34a_100000181223_100011217306 [1,1,0,0,0,0|1,0,0]=3 2513 B14R1.71 Nc1cc(ccc1OCCF)[N+](=O)[O-] 7a_100000181223_100011217306 [1,1,0,0,0,0|1,0,0]=3 2514 B14R1.71 Nc1cc(ccc1OCCO)[N+](=O)[O-] 34a_100000181223_100000211926 [1,1,0,0,0,0|0,0,0]=2 2515 B14R1.71 Nc1cc(ccc1OCCO)[N+](=O)[O-] 7a_100000181223_100000211926 [1,1,0,0,0,0|0,0,0]=2 2516 B14R1.71 O=CCOc1ccc(cc1Br)[N+](=O)[O-] 34a_100000756651_200009817547 [1,1,0,0,0,0|0,0,2]=4 2517 B14R1.71 O=CCOc1ccc(cc1Br)[N+](=O)[O-] 7a_100000756651_200015260668 [1,1,0,0,0,0|0,0,2]=4 2518 B14R1.71 O=CCOc1ccc(cc1Cl)[N+](=O)[O-] 34a_100000206008_200009817547 [1,1,0,0,0,0|0,0,2]=4 2519 B14R1.71 O=CCOc1ccc(cc1Cl)[N+](=O)[O-] 7a_100000206008_200015260668 [1,1,0,0,0,0|0,0,2]=4 2520 B14R1.71 O=CCOc1ccc(cc1F)[N+](=O)[O-] 34a_100000739697_200009817547 [1,1,0,0,0,0|0,0,2]=4 2521 B14R1.71 O=CCOc1ccc(cc1F)[N+](=O)[O-] 7a_100000739697_200015260668 [1,1,0,0,0,0|0,0,2]=4 2522 B14R1.71 O=CCOc1ccc(cc1I)[N+](=O)[O-] 34a_100012047213_200009817547 [1,1,0,0,0,0|0,0,2]=4 2523 B14R1.71 O=CCOc1ccc(cc1I)[N+](=O)[O-] 7a_100012047213_200015260668 [1,1,0,0,0,0|0,0,2]=4 2524 B14R1.71 O=[N+]([O-])c1ccc(c(c1)Br)CSCF 62a_100000741879_100015361967 [1,1,0,0,0,0|2,0,0]=4 2525 B14R1.71 O=[N+]([O-])c1ccc(c(c1)Br)OCCF 34a_100000756651_100011217306 [1,1,0,0,0,0|1,0,0]=3 2526 B14R1.71 O=[N+]([O-])c1ccc(c(c1)Br)OCCF 7a_100000756651_100011217306 [1,1,0,0,0,0|1,0,0]=3 2527 B14R1.71 O=[N+]([O-])c1ccc(c(c1)Br)OCCO 34a_100000756651_100000211926 [1,1,0,0,0,0|0,0,0]=2 2528 B14R1.71 O=[N+]([O-])c1ccc(c(c1)Br)OCCO 7a_100000756651_100000211926 [1,1,0,0,0,0|0,0,0]=2 2529 B14R1.71 O=[N+]([O-])c1ccc(c(c1)Cl)COCF 34a_100000694850_100015361967 [1,1,0,0,0,0|2,0,0]=4 2530 B14R1.71 O=[N+]([O-])c1ccc(c(c1)Cl)COCF 7a_100000694850_100015361967 [1,1,0,0,0,0|2,0,0]=4 2531 B14R1.71 O=[N+]([O-])c1ccc(c(c1)Cl)NCCF 34a_100000185723_100011217306 [1,1,0,0,0,0|2,0,0]=4 2532 B14R1.71 O=[N+]([O-])c1ccc(c(c1)Cl)NCCO 34a_100000185723_100000211926 [1,1,0,0,0,0|1,0,0]=3 2533 B14R1.71 O=[N+]([O-])c1ccc(c(c1)Cl)OCCF 34a_100000206008_100011217306 [1,1,0,0,0,0|1,0,0]=3 2534 B14R1.71 O=[N+]([O-])c1ccc(c(c1)Cl)OCCF 7a_100000206008_100011217306 [1,1,0,0,0,0|1,0,0]=3 2535 B14R1.71 O=[N+]([O-])c1ccc(c(c1)Cl)OCCO 34a_100000206008_100000211926 [1,1,0,0,0,0|0,0,0]=2 2536 B14R1.71 O=[N+]([O-])c1ccc(c(c1)Cl)OCCO 7a_100000206008_100000211926 [1,1,0,0,0,0|0,0,0]=2 2537 B14R1.71 O=[N+]([O-])c1ccc(c(c1)F)CNCF 34a_100016989035_100015361967 [1,1,0,0,0,0|2,0,0]=4 2538 B14R1.71 O=[N+]([O-])c1ccc(c(c1)F)COCF 34a_100012002375_100015361967 [1,1,0,0,0,0|2,0,0]=4 2539 B14R1.71 O=[N+]([O-])c1ccc(c(c1)F)COCF 7a_100012002375_100015361967 [1,1,0,0,0,0|2,0,0]=4 2540 B14R1.71 O=[N+]([O-])c1ccc(c(c1)F)NCCF 34a_100000745739_100011217306 [1,1,0,0,0,0|2,0,0]=4 2541 B14R1.71 O=[N+]([O-])c1ccc(c(c1)F)NCCO 34a_100000745739_100000211926 [1,1,0,0,0,0|1,0,0]=3 2542 B14R1.71 O=[N+]([O-])c1ccc(c(c1)F)OCCF 34a_100000739697_100011217306 [1,1,0,0,0,0|1,0,0]=3 2543 B14R1.71 O=[N+]([O-])c1ccc(c(c1)F)OCCF 7a_100000739697_100011217306 [1,1,0,0,0,0|1,0,0]=3 2544 B14R1.71 O=[N+]([O-])c1ccc(c(c1)F)OCCO 34a_100000739697_100000211926 [1,1,0,0,0,0|0,0,0]=2 2545 B14R1.71 O=[N+]([O-])c1ccc(c(c1)F)OCCO 7a_100000739697_100000211926 [1,1,0,0,0,0|0,0,0]=2 2546 B14R1.71 O=[N+]([O-])c1ccc(c(c1)I)COCF 7a_200010150283_100015361967 [1,1,0,0,0,0|2,0,0]=4 2547 B14R1.71 O=[N+]([O-])c1ccc(c(c1)I)OCCF 34a_100012047213_100011217306 [1,1,0,0,0,0|1,0,0]=3 2548 B14R1.71 O=[N+]([O-])c1ccc(c(c1)I)OCCF 7a_100012047213_100011217306 [1,1,0,0,0,0|1,0,0]=3 2549 B14R1.71 O=[N+]([O-])c1ccc(c(c1)I)OCCO 34a_100012047213_100000211926 [1,1,0,0,0,0|0,0,0]=2 2550 B14R1.71 O=[N+]([O-])c1ccc(c(c1)I)OCCO 7a_100012047213_100000211926 [1,1,0,0,0,0|0,0,0]=2 2551 B14R1.71 O=[N+]([O-])c1cnc(c(c1)F)OCCF 34a_100000100219_100011217306 [1,1,0,0,0,0|2,0,0]=4 2552 B14R1.71 O=[N+]([O-])c1cnc(c(c1)F)OCCO 34a_100000100219_100000211926 [1,1,0,0,0,0|1,0,0]=3 2553 B14R1.419 C=C(C)CNc1ccc(cc1)[N+](=O)[O-] 2230a_100015195142_100000748629 [1,1,0,0,0,0|1,0,1]=4 2554 B14R1.419 C=C(C)CNc1ccc(cc1)[N+](=O)[O-] 34a_100015195142_100000748629 [1,1,0,0,0,0|1,0,1]=4 2555 B14R1.419 C=C(C)COc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_100000748629 [1,1,0,0,0,0|0,0,1]=3 2556 B14R1.419 C=C(C)COc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_100000748629 [1,1,0,0,0,0|0,0,1]=3 2557 B14R1.419 C=C(C)COc1ccc(nc1)[N+](=O)[O-] 7a_100000060138_100000748629 [1,1,0,0,0,0|1,0,1]=4 2558 B14R1.419 C=C(F)COc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_100009893438 [1,1,0,0,0,0|0,0,2]=4 2559 B14R1.419 C=C(F)COc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_100000042424 [1,1,0,0,0,0|0,0,2]=4 2560 B14R1.419 CC(=O)CCc1ccc(cc1)[N+](=O)[O-] 1458a_100000070787_100000736421 [1,1,0,0,0,0|0,0,2]=4 2561 B14R1.419 CC(=O)CCc1ccc(cc1)[N+](=O)[O-] 1458a_100000741710_200000210301 [1,1,0,0,0,0|0,0,2]=4 2562 B14R1.419 CC(=O)COc1ccc(cc1)[N+](=O)[O-] 1458a_100000181393_200000210301 [1,1,0,0,0,0|0,0,1]=3 2563 B14R1.419 CC(=O)CSc1ccc(cc1)[N+](=O)[O-] 1458a_100000156286_200000210301 [1,1,0,0,0,0|0,1,1]=4 2564 B14R1.419 CC(=O)c1ccc(cc1)OCC(C)C 1458a_100000182900_200000210301 [1,1,0,0,0,0|2,0,0]=4 2565 B14R1.419 CC(=O)c1ccc(cc1)OCC(C)C 34a_100000185113_100000210624 [1,1,0,0,0,0|2,0,0]=4 2566 B14R1.419 CC(=O)c1ccc(cc1)OCC(C)C 7a_100000185113_100000210760 [1,1,0,0,0,0|2,0,0]=4 2567 B14R1.419 CC(=O)c1ccc(cc1)OCC(C)O 34a_100000185113_100011218427 [1,1,0,0,0,0|2,0,0]=4 2568 B14R1.419 CC(=O)c1ccc(cc1)OCC(C)O 7a_100000185113_100011218427 [1,1,0,0,0,0|2,0,0]=4 2569 B14R1.419 CC(=O)c1ccc(cc1)OC[C@@H](C)O 34a_100000185113_100009817552 [1,1,0,0,0,0|2,0,0]=4 2570 B14R1.419 CC(=O)c1ccc(cc1)OC[C@@H](C)O 7a_100000185113_100009817552 [1,1,0,0,0,0|2,0,0]=4 2571 B14R1.419 CC(C)CNc1ccc(cc1)[N+](=O)[O-] 2230a_100015195142_100000210760 [1,1,0,0,0,0|1,0,0]=3 2572 B14R1.419 CC(C)CNc1ccc(cc1)[N+](=O)[O-] 34a_100015195142_100000210624 [1,1,0,0,0,0|1,0,0]=3 2573 B14R1.419 CC(C)COc1ccc(cc1)C(=O)N 34a_100000746352_100000210624 [1,1,0,0,0,0|2,0,0]=4 2574 B14R1.419 CC(C)COc1ccc(cc1)C(=O)N 7a_100000746352_100000210760 [1,1,0,0,0,0|2,0,0]=4 2575 B14R1.419 CC(C)COc1ccc(cc1)C(=O)[13CH3] 1458a_100000182900_200025704644 [1,1,0,0,0,0|2,0,0]=4 2576 B14R1.419 CC(C)COc1ccc(cc1)S(=O)C 34a_200000064373_100000210624 [1,1,0,0,0,0|2,0,0]=4 2577 B14R1.419 CC(C)COc1ccc(cc1)S(=O)C 7a_200000064373_100000210760 [1,1,0,0,0,0|2,0,0]=4 2578 B14R1.419 CC(C)COc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_100000210624 [1,1,0,0,0,0|0,0,0]=2 2579 B14R1.419 CC(C)COc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_100000210760 [1,1,0,0,0,0|0,0,0]=2 2580 B14R1.419 CC(C)COc1ccc(nc1)[N+](=O)[O-] 7a_100000060138_100000210760 [1,1,0,0,0,0|1,0,0]=3 2581 B14R1.419 CC(C)NCc1ccc(cc1)[N+](=O)[O-] 207a_100138425928_100000189386 [1,1,0,0,0,0|2,0,0]=4 2582 B14R1.419 CC(C)NCc1ccc(cc1)[N+](=O)[O-] 2230a_100000742766_100000210206 [1,1,0,0,0,0|2,0,0]=4 2583 B14R1.419 CC(C)NCc1ccc(cc1)[N+](=O)[O-] 2230a_100138425928_100000181861 [1,1,0,0,0,0|2,0,0]=4 2584 B14R1.419 CC(C)NCc1ccc(cc1)[N+](=O)[O-] 34a_100000742766_100000210206 [1,1,0,0,0,0|2,0,0]=4 2585 B14R1.419 CC(C)NCc1ccc(cc1)[N+](=O)[O-] 34a_100138425928_100000181861 [1,1,0,0,0,0|2,0,0]=4 2586 B14R1.419 CC(C)OCc1ccc(cc1)[N+](=O)[O-] 34a_100000211695_100000210206 [1,1,0,0,0,0|2,0,0]=4 2587 B14R1.419 CC(C)OCc1ccc(cc1)[N+](=O)[O-] 34a_100000212225_100000181861 [1,1,0,0,0,0|2,0,0]=4 2588 B14R1.419 CC(C)SCc1ccc(cc1)[N+](=O)[O-] 62a_100000210206_100000184243 [1,1,0,0,0,0|2,0,0]=4 2589 B14R1.419 CC(O)CNc1ccc(cc1)[N+](=O)[O-] 2230a_100015195142_100011218427 [1,1,0,0,0,0|1,0,0]=3 2590 B14R1.419 CC(O)CNc1ccc(cc1)[N+](=O)[O-] 34a_100015195142_100011218427 [1,1,0,0,0,0|1,0,0]=3 2591 B14R1.419 CC(O)COc1ccc(cc1)C(=O)N 34a_100000746352_100011218427 [1,1,0,0,0,0|2,0,0]=4 2592 B14R1.419 CC(O)COc1ccc(cc1)C(=O)N 7a_100000746352_100011218427 [1,1,0,0,0,0|2,0,0]=4 2593 B14R1.419 CC(O)COc1ccc(cc1)S(=O)C 34a_200000064373_100011218427 [1,1,0,0,0,0|2,0,0]=4 2594 B14R1.419 CC(O)COc1ccc(cc1)S(=O)C 7a_200000064373_100011218427 [1,1,0,0,0,0|2,0,0]=4 2595 B14R1.419 CC(O)COc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_100011218427 [1,1,0,0,0,0|0,0,0]=2 2596 B14R1.419 CC(O)COc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_100011218427 [1,1,0,0,0,0|0,0,0]=2 2597 B14R1.419 CC(O)COc1ccc(nc1)[N+](=O)[O-] 7a_100000060138_100011218427 [1,1,0,0,0,0|1,0,0]=3 2598 B14R1.419 CN(C)CCc1ccc(cc1)[N+](=O)[O-] 2230a_100000009637_200000210301 [1,1,0,0,0,0|2,0,0]=4 2599 B14R1.419 CN(C)CCc1ccc(cc1)[N+](=O)[O-] 2230a_100102631434_100000736421 [1,1,0,0,0,0|2,0,0]=4 2600 B14R1.419 CN(C)CCc1ccc(cc1)[N+](=O)[O-] 269982a_100000009637_200000210301 [1,1,0,0,0,0|2,0,0]=4 2601 B14R1.419 CN(C)CCc1ccc(cc1)[N+](=O)[O-] 269982a_100102631434_100000736421 [1,1,0,0,0,0|2,0,0]=4 2602 B14R1.419 CN([13CH3])CCc1ccc(cc1)[N+](=O)[O-] 2230a_100000009637_200025704644 [1,1,0,0,0,0|2,0,0]=4 2603 B14R1.419 CN([13CH3])CCc1ccc(cc1)[N+](=O)[O-] 269982a_100000009637_200025704644 [1,1,0,0,0,0|2,0,0]=4 2604 B14R1.419 C[C@@H](O)CNc1ccc(cc1)[N+](=O)[O-] 2230a_100015195142_100009817552 [1,1,0,0,0,0|1,0,0]=3 2605 B14R1.419 C[C@@H](O)CNc1ccc(cc1)[N+](=O)[O-] 34a_100015195142_100009817552 [1,1,0,0,0,0|1,0,0]=3 2606 B14R1.419 C[C@@H](O)COc1ccc(cc1)C(=O)N 34a_100000746352_100009817552 [1,1,0,0,0,0|2,0,0]=4 2607 B14R1.419 C[C@@H](O)COc1ccc(cc1)C(=O)N 7a_100000746352_100009817552 [1,1,0,0,0,0|2,0,0]=4 2608 B14R1.419 C[C@@H](O)COc1ccc(cc1)S(=O)C 34a_200000064373_100009817552 [1,1,0,0,0,0|2,0,0]=4 2609 B14R1.419 C[C@@H](O)COc1ccc(cc1)S(=O)C 7a_200000064373_100009817552 [1,1,0,0,0,0|2,0,0]=4 2610 B14R1.419 C[C@@H](O)COc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_100009817552 [1,1,0,0,0,0|0,0,0]=2 2611 B14R1.419 C[C@@H](O)COc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_100009817552 [1,1,0,0,0,0|0,0,0]=2 2612 B14R1.419 C[C@@H](O)COc1ccc(nc1)[N+](=O)[O-] 7a_100000060138_100009817552 [1,1,0,0,0,0|1,0,0]=3 2613 B14R1.419 NC(=O)COc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_100000187820 [1,1,0,0,0,0|0,0,2]=4 2614 B14R1.419 NC(=O)COc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_100000187820 [1,1,0,0,0,0|0,0,2]=4 2615 B14R1.419 O=C([O-])COc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_100020667443 [1,1,0,0,0,0|0,0,2]=4 2616 B14R1.419 O=[N+]([O-])COc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_100000761209 [1,1,0,0,0,0|1,0,1]=4 2617 B14R1.419 O=[N+]([O-])c1ccc(cc1)NCC(F)F 2230a_100015195142_100011934356 [1,1,0,0,0,0|2,0,0]=4 2618 B14R1.419 O=[N+]([O-])c1ccc(cc1)NCC(F)F 34a_100015195142_100011934356 [1,1,0,0,0,0|2,0,0]=4 2619 B14R1.419 O=[N+]([O-])c1ccc(cc1)OCC(F)F 34a_100000185810_100011934356 [1,1,0,0,0,0|1,0,0]=3 2620 B14R1.419 O=[N+]([O-])c1ccc(cc1)OCC(F)F 7a_100000185810_100011934356 [1,1,0,0,0,0|1,0,0]=3 2621 B14R1.419 O=[N+]([O-])c1ccc(cn1)OCC(F)F 7a_100000060138_100011934356 [1,1,0,0,0,0|2,0,0]=4 2622 B14R1.419 [13CH3]C(=O)CCc1ccc(cc1)[N+](=O)[O-] 1458a_100000741710_200025704644 [1,1,0,0,0,0|0,0,2]=4 2623 B14R1.419 [13CH3]C(=O)COc1ccc(cc1)[N+](=O)[O-] 1458a_100000181393_200025704644 [1,1,0,0,0,0|0,0,1]=3 2624 B14R1.419 [13CH3]C(=O)CSc1ccc(cc1)[N+](=O)[O-] 1458a_100000156286_200025704644 [1,1,0,0,0,0|0,1,1]=4 2625 B14R1.610 CC(OCF)c1ccc(cc1)[N+](=O)[O-] 34a_100000246459_100015361967 [1,1,0,0,0,0|2,0,0]=4 2626 B14R1.610 CC(OCF)c1ccc(cc1)[N+](=O)[O-] 7a_100000246459_100015361967 [1,1,0,0,0,0|2,0,0]=4 2627 B14R1.610 CCCC(=O)c1ccc(cc1)[N+](=O)[O-] 1458a_100000185811_100000210303 [1,1,0,0,0,0|1,0,0]=3 2628 B14R1.610 CCCN(C)c1ccc(cc1)[N+](=O)[O-] 2230a_100000156523_100000210303 [1,1,0,0,0,0|1,0,0]=3 2629 B14R1.610 CCCN(C)c1ccc(cc1)[N+](=O)[O-] 269982a_100000156523_100000210303 [1,1,0,0,0,0|1,0,0]=3 2630 B14R1.610 CCCN(C)c1ccc(cc1)[N+](=O)[O-] 34a_100000156523_100000210303 [1,1,0,0,0,0|1,0,0]=3 2631 B14R1.610 CCNC(=O)c1ccc(cc1)[N+](=O)[O-] 11a_100015525214_100000185811 [1,1,0,0,0,0|2,0,0]=4 2632 B14R1.610 CCNC(=O)c1ccc(cc1)[N+](=O)[O-] 240690a_100015525214_100000185811 [1,1,0,0,0,0|2,0,0]=4 2633 B14R1.610 CCNC(=O)c1ccc(cc1)[N+](=O)[O-] 527a_100015525214_100000185811 [1,1,0,0,0,0|2,0,0]=4 2634 B14R1.610 CCNC(C)c1ccc(cc1)[N+](=O)[O-] 2230a_100015525214_100000684656 [1,1,0,0,0,0|2,0,0]=4 2635 B14R1.610 CCN[C@@H](C)c1ccc(cc1)[N+](=O)[O-] 2230a_100000008510_100000210202 [1,1,0,0,0,0|2,0,0]=4 2636 B14R1.610 CCOC(C)c1ccc(cc1)[N+](=O)[O-] 34a_100000246459_100000210202 [1,1,0,0,0,0|2,0,0]=4 2637 B14R1.610 CCOC(C)c1ccc(cc1)[N+](=O)[O-] 7a_100000246459_100000210202 [1,1,0,0,0,0|2,0,0]=4 2638 B14R1.610 CN(CCF)c1ccc(cc1)[N+](=O)[O-] 2230a_100000156523_100011217306 [1,1,0,0,0,0|2,0,0]=4 2639 B14R1.610 CN(CCF)c1ccc(cc1)[N+](=O)[O-] 269982a_100000156523_100011217306 [1,1,0,0,0,0|2,0,0]=4 2640 B14R1.610 CN(CCF)c1ccc(cc1)[N+](=O)[O-] 34a_100000156523_100011217306 [1,1,0,0,0,0|2,0,0]=4 2641 B14R1.610 CN(CCO)c1ccc(cc1)[N+](=O)[O-] 2230a_100000156523_100000211926 [1,1,0,0,0,0|1,0,0]=3 2642 B14R1.610 CN(CCO)c1ccc(cc1)[N+](=O)[O-] 269982a_100000156523_100000211926 [1,1,0,0,0,0|1,0,0]=3 2643 B14R1.610 CN(CCO)c1ccc(cc1)[N+](=O)[O-] 34a_100000156523_100000211926 [1,1,0,0,0,0|1,0,0]=3 2644 B14R1.610 CNCC(=O)c1ccc(cc1)[N+](=O)[O-] 2230a_106832991635_100000195401 [1,1,0,0,0,0|2,0,0]=4 2645 B14R1.610 CNCC(=O)c1ccc(cc1)[N+](=O)[O-] 7a_106832991635_100000195401 [1,1,0,0,0,0|2,0,0]=4 2646 B14R1.610 COCN(C)c1ccc(cc1)[N+](=O)[O-] 2230a_100000156523_100000766300 [1,1,0,0,0,0|2,0,0]=4 2647 B14R1.610 COCN(C)c1ccc(cc1)[N+](=O)[O-] 269982a_100000156523_100000766300 [1,1,0,0,0,0|2,0,0]=4 2648 B14R1.610 CSCC(=O)c1ccc(cc1)[N+](=O)[O-] 62a_100000195401_200000210301 [1,1,0,0,0,0|2,0,0]=4 2649 B14R1.610 CSCN(C)c1ccc(cc1)[N+](=O)[O-] 2230a_100000156523_100011218213 [1,1,0,0,0,0|2,0,0]=4 2650 B14R1.610 CSCN(C)c1ccc(cc1)[N+](=O)[O-] 269982a_100000156523_100011218213 [1,1,0,0,0,0|2,0,0]=4 2651 B14R1.610 CSCN(C)c1ccc(cc1)[N+](=O)[O-] 34a_100000156523_100011218213 [1,1,0,0,0,0|2,0,0]=4 2652 B14R1.610 O=C(CCF)c1ccc(cc1)[N+](=O)[O-] 1458a_100000185811_100011217306 [1,1,0,0,0,0|1,0,1]=4 2653 B14R1.610 O=C(CCO)c1ccc(cc1)[N+](=O)[O-] 1458a_100000185811_100000211926 [1,1,0,0,0,0|0,0,1]=3 2654 B14R1.610 [13CH3]SCC(=O)c1ccc(cc1)[N+](=O)[O-] 62a_100000195401_200025704644 [1,1,0,0,0,0|2,0,0]=4 2655 B14R1.792 C#CCOc1ccc(c(c1)Br)[N+](=O)[O-] 34a_100012356988_100000184674 [1,1,0,0,0,0|0,0,2]=4 2656 B14R1.792 C#CCOc1ccc(c(c1)Br)[N+](=O)[O-] 7a_100012356988_100000038162 [1,1,0,0,0,0|0,0,2]=4 2657 B14R1.792 C#CCOc1ccc(c(c1)C)[N+](=O)[O-] 34a_100000195451_100000184674 [1,1,0,0,0,0|0,0,2]=4 2658 B14R1.792 C#CCOc1ccc(c(c1)C)[N+](=O)[O-] 7a_100000195451_100000038162 [1,1,0,0,0,0|0,0,2]=4 2659 B14R1.792 C#CCOc1ccc(c(c1)Cl)[N+](=O)[O-] 34a_100000746235_100000184674 [1,1,0,0,0,0|0,0,2]=4 2660 B14R1.792 C#CCOc1ccc(c(c1)Cl)[N+](=O)[O-] 7a_100000746235_100000038162 [1,1,0,0,0,0|0,0,2]=4 2661 B14R1.792 C#CCOc1ccc(c(c1)F)[N+](=O)[O-] 7a_100000745333_100000038162 [1,1,0,0,0,0|0,0,2]=4 2662 B14R1.792 C#CCOc1ccc(c(c1)I)[N+](=O)[O-] 7a_100010243554_100000038162 [1,1,0,0,0,0|0,0,2]=4 2663 B14R1.792 C#CCOc1ccc(c(c1)N)[N+](=O)[O-] 7a_100000729835_100000038162 [1,1,0,0,0,0|0,0,2]=4 2664 B14R1.792 C=CCOc1ccc(c(c1)Br)[N+](=O)[O-] 34a_100012356988_100015514636 [1,1,0,0,0,0|0,0,2]=4 2665 B14R1.792 C=CCOc1ccc(c(c1)Br)[N+](=O)[O-] 7a_100012356988_100015514636 [1,1,0,0,0,0|0,0,2]=4 2666 B14R1.792 C=CCOc1ccc(c(c1)C)[N+](=O)[O-] 34a_100000195451_100015514636 [1,1,0,0,0,0|0,0,2]=4 2667 B14R1.792 C=CCOc1ccc(c(c1)C)[N+](=O)[O-] 7a_100000195451_100015514636 [1,1,0,0,0,0|0,0,2]=4 2668 B14R1.792 C=CCOc1ccc(c(c1)Cl)[N+](=O)[O-] 34a_100000746235_100015514636 [1,1,0,0,0,0|0,0,2]=4 2669 B14R1.792 C=CCOc1ccc(c(c1)Cl)[N+](=O)[O-] 7a_100000746235_100015514636 [1,1,0,0,0,0|0,0,2]=4 2670 B14R1.792 C=CCOc1ccc(c(c1)F)[N+](=O)[O-] 7a_100000745333_100015514636 [1,1,0,0,0,0|0,0,2]=4 2671 B14R1.792 C=CCOc1ccc(c(c1)I)[N+](=O)[O-] 7a_100010243554_100015514636 [1,1,0,0,0,0|0,0,2]=4 2672 B14R1.792 C=CCOc1ccc(c(c1)N)[N+](=O)[O-] 7a_100000729835_100015514636 [1,1,0,0,0,0|0,0,2]=4 2673 B14R1.792 CC(=O)c1ccc(cc1Br)OCCO 34a_100012340537_100000211926 [1,1,0,0,0,0|2,0,0]=4 2674 B14R1.792 CC(=O)c1ccc(cc1Br)OCCO 7a_100012340537_100000211926 [1,1,0,0,0,0|2,0,0]=4 2675 B14R1.792 CC(=O)c1ccc(cc1C)OCCO 34a_100000702595_100000211926 [1,1,0,0,0,0|2,0,0]=4 2676 B14R1.792 CC(=O)c1ccc(cc1C)OCCO 7a_100000702595_100000211926 [1,1,0,0,0,0|2,0,0]=4 2677 B14R1.792 CC(=O)c1ccc(cc1Cl)OCCO 34a_100011933989_100000211926 [1,1,0,0,0,0|2,0,0]=4 2678 B14R1.792 CC(=O)c1ccc(cc1Cl)OCCO 7a_100011933989_100000211926 [1,1,0,0,0,0|2,0,0]=4 2679 B14R1.792 CC(=O)c1ccc(cc1F)OCCO 34a_100000752407_100000211926 [1,1,0,0,0,0|2,0,0]=4 2680 B14R1.792 CC(=O)c1ccc(cc1F)OCCO 7a_100000752407_100000211926 [1,1,0,0,0,0|2,0,0]=4 2681 B14R1.792 CC(=O)c1ccc(cc1O)OCCO 1458a_200000035030_200000210301 [1,1,0,0,0,0|2,0,0]=4 2682 B14R1.792 CCCNc1ccc(c(c1)Br)[N+](=O)[O-] 7a_100000693983_100000210303 [1,1,0,0,0,0|1,0,0]=3 2683 B14R1.792 CCCNc1ccc(c(c1)C)[N+](=O)[O-] 34a_100000745639_100000210303 [1,1,0,0,0,0|1,0,0]=3 2684 B14R1.792 CCCNc1ccc(c(c1)C)[N+](=O)[O-] 7a_100000745639_100000210303 [1,1,0,0,0,0|1,0,0]=3 2685 B14R1.792 CCCNc1ccc(c(c1)F)[N+](=O)[O-] 34a_100000741728_100000210303 [1,1,0,0,0,0|1,0,0]=3 2686 B14R1.792 CCCNc1ccc(c(c1)F)[N+](=O)[O-] 7a_100000741728_100000210303 [1,1,0,0,0,0|1,0,0]=3 2687 B14R1.792 CCCOc1ccc(c(c1)Br)C(=O)C 34a_100012340537_100000210303 [1,1,0,0,0,0|2,0,0]=4 2688 B14R1.792 CCCOc1ccc(c(c1)Br)C(=O)C 7a_100012340537_100000210303 [1,1,0,0,0,0|2,0,0]=4 2689 B14R1.792 CCCOc1ccc(c(c1)Br)[N+](=O)[O-] 34a_100012356988_100000210303 [1,1,0,0,0,0|0,0,0]=2 2690 B14R1.792 CCCOc1ccc(c(c1)Br)[N+](=O)[O-] 7a_100012356988_100000210303 [1,1,0,0,0,0|0,0,0]=2 2691 B14R1.792 CCCOc1ccc(c(c1)C)C(=O)C 34a_100000702595_100000210303 [1,1,0,0,0,0|2,0,0]=4 2692 B14R1.792 CCCOc1ccc(c(c1)C)C(=O)C 7a_100000702595_100000210303 [1,1,0,0,0,0|2,0,0]=4 2693 B14R1.792 CCCOc1ccc(c(c1)C)[N+](=O)[O-] 34a_100000195451_100000210303 [1,1,0,0,0,0|0,0,0]=2 2694 B14R1.792 CCCOc1ccc(c(c1)C)[N+](=O)[O-] 7a_100000195451_100000210303 [1,1,0,0,0,0|0,0,0]=2 2695 B14R1.792 CCCOc1ccc(c(c1)Cl)C(=O)C 34a_100011933989_100000210303 [1,1,0,0,0,0|2,0,0]=4 2696 B14R1.792 CCCOc1ccc(c(c1)Cl)C(=O)C 7a_100011933989_100000210303 [1,1,0,0,0,0|2,0,0]=4 2697 B14R1.792 CCCOc1ccc(c(c1)Cl)C(=O)N 34a_100011997949_100000210303 [1,1,0,0,0,0|2,0,0]=4 2698 B14R1.792 CCCOc1ccc(c(c1)Cl)C(=O)N 7a_100011997949_100000210303 [1,1,0,0,0,0|2,0,0]=4 2699 B14R1.792 CCCOc1ccc(c(c1)Cl)[N+](=O)[O-] 34a_100000746235_100000210303 [1,1,0,0,0,0|0,0,0]=2 2700 B14R1.792 CCCOc1ccc(c(c1)Cl)[N+](=O)[O-] 7a_100000746235_100000210303 [1,1,0,0,0,0|0,0,0]=2 2701 B14R1.792 CCCOc1ccc(c(c1)F)C(=O)C 1458a_200011216075_200000210301 [1,1,0,0,0,0|2,0,0]=4 2702 B14R1.792 CCCOc1ccc(c(c1)F)C(=O)C 34a_100000752407_100000210303 [1,1,0,0,0,0|2,0,0]=4 2703 B14R1.792 CCCOc1ccc(c(c1)F)C(=O)C 7a_100000752407_100000210303 [1,1,0,0,0,0|2,0,0]=4 2704 B14R1.792 CCCOc1ccc(c(c1)F)C(=O)N 34a_200012186767_100000210303 [1,1,0,0,0,0|2,0,0]=4 2705 B14R1.792 CCCOc1ccc(c(c1)F)C(=O)N 7a_200012186767_100000210303 [1,1,0,0,0,0|2,0,0]=4 2706 B14R1.792 CCCOc1ccc(c(c1)F)C(=O)[13CH3] 1458a_200011216075_200025704644 [1,1,0,0,0,0|2,0,0]=4 2707 B14R1.792 CCCOc1ccc(c(c1)F)[N+](=O)[O-] 7a_100000745333_100000210303 [1,1,0,0,0,0|0,0,0]=2 2708 B14R1.792 CCCOc1ccc(c(c1)I)[N+](=O)[O-] 7a_100010243554_100000210303 [1,1,0,0,0,0|0,0,0]=2 2709 B14R1.792 CCCOc1ccc(c(c1)N)C(=O)N 34a_100012186684_100000210303 [1,1,0,0,0,0|2,0,0]=4 2710 B14R1.792 CCCOc1ccc(c(c1)N)C(=O)N 7a_100012186684_100000210303 [1,1,0,0,0,0|2,0,0]=4 2711 B14R1.792 CCCOc1ccc(c(c1)N)[N+](=O)[O-] 7a_100000729835_100000210303 [1,1,0,0,0,0|0,0,0]=2 2712 B14R1.792 CCNCc1ccc(c(c1)Br)[N+](=O)[O-] 270004a_100015525214_100009998837 [1,1,0,0,0,0|2,0,0]=4 2713 B14R1.792 CCNCc1ccc(c(c1)C)[N+](=O)[O-] 207a_100015525214_100000050484 [1,1,0,0,0,0|2,0,0]=4 2714 B14R1.792 CCNCc1ccc(c(c1)C)[N+](=O)[O-] 2230a_100015525214_100009816690 [1,1,0,0,0,0|2,0,0]=4 2715 B14R1.792 CCNCc1ccc(c(c1)C)[N+](=O)[O-] 270004a_100015525214_100000050484 [1,1,0,0,0,0|2,0,0]=4 2716 B14R1.792 CCNCc1ccc(c(c1)Cl)[N+](=O)[O-] 270004a_100015525214_100000070945 [1,1,0,0,0,0|2,0,0]=4 2717 B14R1.792 CCNCc1ccc(c(c1)F)[N+](=O)[O-] 2230a_100015525214_100000687068 [1,1,0,0,0,0|2,0,0]=4 2718 B14R1.792 CCNCc1ccc(c(c1)F)[N+](=O)[O-] 270004a_100015525214_100011934122 [1,1,0,0,0,0|2,0,0]=4 2719 B14R1.792 CCOCc1ccc(c(c1)C)[N+](=O)[O-] 34a_100121572206_100009816690 [1,1,0,0,0,0|2,0,0]=4 2720 B14R1.792 CCOCc1ccc(c(c1)C)[N+](=O)[O-] 7a_100000032365_100000210202 [1,1,0,0,0,0|2,0,0]=4 2721 B14R1.792 CCOCc1ccc(c(c1)F)[N+](=O)[O-] 34a_100121572206_100000687068 [1,1,0,0,0,0|2,0,0]=4 2722 B14R1.792 CCOCc1ccc(c(c1)F)[N+](=O)[O-] 7a_100011219895_100000210202 [1,1,0,0,0,0|2,0,0]=4 2723 B14R1.792 CCSCc1ccc(c(c1)F)[N+](=O)[O-] 62a_100000687068_100000210202 [1,1,0,0,0,0|2,0,0]=4 2724 B14R1.792 CSCNc1ccc(c(c1)C)[N+](=O)[O-] 34a_100000745639_100011218213 [1,1,0,0,0,0|2,0,0]=4 2725 B14R1.792 CSCNc1ccc(c(c1)F)[N+](=O)[O-] 34a_100000741728_100011218213 [1,1,0,0,0,0|2,0,0]=4 2726 B14R1.792 CSCOc1ccc(c(c1)Br)[N+](=O)[O-] 34a_100012356988_100011218213 [1,1,0,0,0,0|1,0,0]=3 2727 B14R1.792 CSCOc1ccc(c(c1)C)[N+](=O)[O-] 34a_100000195451_100011218213 [1,1,0,0,0,0|1,0,0]=3 2728 B14R1.792 CSCOc1ccc(c(c1)Cl)[N+](=O)[O-] 34a_100000746235_100011218213 [1,1,0,0,0,0|1,0,0]=3 2729 B14R1.792 Cc1cc(ccc1[N+](=O)[O-])COCF 7a_100000032365_100015361967 [1,1,0,0,0,0|2,0,0]=4 2730 B14R1.792 Cc1cc(ccc1[N+](=O)[O-])NCCF 34a_100000745639_100011217306 [1,1,0,0,0,0|2,0,0]=4 2731 B14R1.792 Cc1cc(ccc1[N+](=O)[O-])NCCF 7a_100000745639_100011217306 [1,1,0,0,0,0|2,0,0]=4 2732 B14R1.792 Cc1cc(ccc1[N+](=O)[O-])NCCO 34a_100000745639_100000211926 [1,1,0,0,0,0|1,0,0]=3 2733 B14R1.792 Cc1cc(ccc1[N+](=O)[O-])NCCO 7a_100000745639_100000211926 [1,1,0,0,0,0|1,0,0]=3 2734 B14R1.792 Cc1cc(ccc1[N+](=O)[O-])OCC#N 7a_100000195451_100011215382 [1,1,0,0,0,0|1,0,1]=4 2735 B14R1.792 Cc1cc(ccc1[N+](=O)[O-])OCC=O 34a_100000195451_200009817547 [1,1,0,0,0,0|0,0,2]=4 2736 B14R1.792 Cc1cc(ccc1[N+](=O)[O-])OCC=O 7a_100000195451_200015260668 [1,1,0,0,0,0|0,0,2]=4 2737 B14R1.792 Cc1cc(ccc1[N+](=O)[O-])OCCF 34a_100000195451_100011217306 [1,1,0,0,0,0|1,0,0]=3 2738 B14R1.792 Cc1cc(ccc1[N+](=O)[O-])OCCF 7a_100000195451_100011217306 [1,1,0,0,0,0|1,0,0]=3 2739 B14R1.792 Cc1cc(ccc1[N+](=O)[O-])OCCO 34a_100000195451_100000211926 [1,1,0,0,0,0|0,0,0]=2 2740 B14R1.792 Cc1cc(ccc1[N+](=O)[O-])OCCO 7a_100000195451_100000211926 [1,1,0,0,0,0|0,0,0]=2 2741 B14R1.792 N#CCOc1ccc(c(c1)Br)[N+](=O)[O-] 7a_100012356988_100011215382 [1,1,0,0,0,0|1,0,1]=4 2742 B14R1.792 N#CCOc1ccc(c(c1)Cl)[N+](=O)[O-] 7a_100000746235_100011215382 [1,1,0,0,0,0|1,0,1]=4 2743 B14R1.792 N#CCOc1ccc(c(c1)F)[N+](=O)[O-] 7a_100000745333_100011215382 [1,1,0,0,0,0|1,0,1]=4 2744 B14R1.792 N#CCOc1ccc(c(c1)I)[N+](=O)[O-] 7a_100010243554_100011215382 [1,1,0,0,0,0|1,0,1]=4 2745 B14R1.792 N#CCOc1ccc(c(c1)N)[N+](=O)[O-] 7a_100000729835_100011215382 [1,1,0,0,0,0|1,0,1]=4 2746 B14R1.792 NC(=O)c1ccc(cc1Cl)OCCO 34a_100011997949_100000211926 [1,1,0,0,0,0|2,0,0]=4 2747 B14R1.792 NC(=O)c1ccc(cc1Cl)OCCO 7a_100011997949_100000211926 [1,1,0,0,0,0|2,0,0]=4 2748 B14R1.792 NC(=O)c1ccc(cc1F)OCCO 34a_200012186767_100000211926 [1,1,0,0,0,0|2,0,0]=4 2749 B14R1.792 NC(=O)c1ccc(cc1F)OCCO 7a_200012186767_100000211926 [1,1,0,0,0,0|2,0,0]=4 2750 B14R1.792 NC(=O)c1ccc(cc1N)OCCO 34a_100012186684_100000211926 [1,1,0,0,0,0|2,0,0]=4 2751 B14R1.792 NC(=O)c1ccc(cc1N)OCCO 7a_100012186684_100000211926 [1,1,0,0,0,0|2,0,0]=4 2752 B14R1.792 Nc1cc(ccc1[N+](=O)[O-])OCC=O 7a_100000729835_200015260668 [1,1,0,0,0,0|0,0,2]=4 2753 B14R1.792 Nc1cc(ccc1[N+](=O)[O-])OCCF 7a_100000729835_100011217306 [1,1,0,0,0,0|1,0,0]=3 2754 B14R1.792 Nc1cc(ccc1[N+](=O)[O-])OCCO 7a_100000729835_100000211926 [1,1,0,0,0,0|0,0,0]=2 2755 B14R1.792 O=CCOc1ccc(c(c1)Br)[N+](=O)[O-] 34a_100012356988_200009817547 [1,1,0,0,0,0|0,0,2]=4 2756 B14R1.792 O=CCOc1ccc(c(c1)Br)[N+](=O)[O-] 7a_100012356988_200015260668 [1,1,0,0,0,0|0,0,2]=4 2757 B14R1.792 O=CCOc1ccc(c(c1)Cl)[N+](=O)[O-] 34a_100000746235_200009817547 [1,1,0,0,0,0|0,0,2]=4 2758 B14R1.792 O=CCOc1ccc(c(c1)Cl)[N+](=O)[O-] 7a_100000746235_200015260668 [1,1,0,0,0,0|0,0,2]=4 2759 B14R1.792 O=CCOc1ccc(c(c1)F)[N+](=O)[O-] 7a_100000745333_200015260668 [1,1,0,0,0,0|0,0,2]=4 2760 B14R1.792 O=CCOc1ccc(c(c1)I)[N+](=O)[O-] 7a_100010243554_200015260668 [1,1,0,0,0,0|0,0,2]=4 2761 B14R1.792 O=[N+]([O-])c1ccc(cc1Br)NCCF 7a_100000693983_100011217306 [1,1,0,0,0,0|2,0,0]=4 2762 B14R1.792 O=[N+]([O-])c1ccc(cc1Br)NCCO 7a_100000693983_100000211926 [1,1,0,0,0,0|1,0,0]=3 2763 B14R1.792 O=[N+]([O-])c1ccc(cc1Br)OCCF 34a_100012356988_100011217306 [1,1,0,0,0,0|1,0,0]=3 2764 B14R1.792 O=[N+]([O-])c1ccc(cc1Br)OCCF 7a_100012356988_100011217306 [1,1,0,0,0,0|1,0,0]=3 2765 B14R1.792 O=[N+]([O-])c1ccc(cc1Br)OCCO 34a_100012356988_100000211926 [1,1,0,0,0,0|0,0,0]=2 2766 B14R1.792 O=[N+]([O-])c1ccc(cc1Br)OCCO 7a_100012356988_100000211926 [1,1,0,0,0,0|0,0,0]=2 2767 B14R1.792 O=[N+]([O-])c1ccc(cc1Cl)OCCF 34a_100000746235_100011217306 [1,1,0,0,0,0|1,0,0]=3 2768 B14R1.792 O=[N+]([O-])c1ccc(cc1Cl)OCCF 7a_100000746235_100011217306 [1,1,0,0,0,0|1,0,0]=3 2769 B14R1.792 O=[N+]([O-])c1ccc(cc1Cl)OCCO 34a_100000746235_100000211926 [1,1,0,0,0,0|0,0,0]=2 2770 B14R1.792 O=[N+]([O-])c1ccc(cc1Cl)OCCO 7a_100000746235_100000211926 [1,1,0,0,0,0|0,0,0]=2 2771 B14R1.792 O=[N+]([O-])c1ccc(cc1F)COCF 7a_100011219895_100015361967 [1,1,0,0,0,0|2,0,0]=4 2772 B14R1.792 O=[N+]([O-])c1ccc(cc1F)CSCF 62a_100000687068_100015361967 [1,1,0,0,0,0|2,0,0]=4 2773 B14R1.792 O=[N+]([O-])c1ccc(cc1F)NCCF 34a_100000741728_100011217306 [1,1,0,0,0,0|2,0,0]=4 2774 B14R1.792 O=[N+]([O-])c1ccc(cc1F)NCCF 7a_100000741728_100011217306 [1,1,0,0,0,0|2,0,0]=4 2775 B14R1.792 O=[N+]([O-])c1ccc(cc1F)NCCO 34a_100000741728_100000211926 [1,1,0,0,0,0|1,0,0]=3 2776 B14R1.792 O=[N+]([O-])c1ccc(cc1F)NCCO 7a_100000741728_100000211926 [1,1,0,0,0,0|1,0,0]=3 2777 B14R1.792 O=[N+]([O-])c1ccc(cc1F)OCCF 7a_100000745333_100011217306 [1,1,0,0,0,0|1,0,0]=3 2778 B14R1.792 O=[N+]([O-])c1ccc(cc1F)OCCO 7a_100000745333_100000211926 [1,1,0,0,0,0|0,0,0]=2 2779 B14R1.792 O=[N+]([O-])c1ccc(cc1I)OCCF 7a_100010243554_100011217306 [1,1,0,0,0,0|1,0,0]=3 2780 B14R1.792 O=[N+]([O-])c1ccc(cc1I)OCCO 7a_100010243554_100000211926 [1,1,0,0,0,0|0,0,0]=2 2781 B14R1.792 [13CH3]C(=O)c1ccc(cc1O)OCCO 1458a_200000035030_200025704644 [1,1,0,0,0,0|2,0,0]=4 2782 B14R1.2879 C#CC(C)Oc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_200000035995 [1,1,0,0,0,0|0,0,2]=4 2783 B14R1.2879 CC(=O)c1ccc(cc1)OC(C)CO 34a_100000185113_100012180447 [1,1,0,0,0,0|2,0,0]=4 2784 B14R1.2879 CC(=O)c1ccc(cc1)OC(C)CO 7a_100000185113_100012180447 [1,1,0,0,0,0|2,0,0]=4 2785 B14R1.2879 CC(C#N)Oc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_100000703298 [1,1,0,0,0,0|1,0,1]=4 2786 B14R1.2879 CC(CO)Nc1ccc(cc1)[N+](=O)[O-] 2230a_100015195142_100012180447 [1,1,0,0,0,0|1,0,0]=3 2787 B14R1.2879 CC(CO)Nc1ccc(cc1)[N+](=O)[O-] 34a_100015195142_100012180447 [1,1,0,0,0,0|1,0,0]=3 2788 B14R1.2879 CC(CO)Oc1ccc(cc1)C(=O)N 34a_100000746352_100012180447 [1,1,0,0,0,0|2,0,0]=4 2789 B14R1.2879 CC(CO)Oc1ccc(cc1)C(=O)N 7a_100000746352_100012180447 [1,1,0,0,0,0|2,0,0]=4 2790 B14R1.2879 CC(CO)Oc1ccc(cc1)S(=O)C 34a_200000064373_100012180447 [1,1,0,0,0,0|2,0,0]=4 2791 B14R1.2879 CC(CO)Oc1ccc(cc1)S(=O)C 7a_200000064373_100012180447 [1,1,0,0,0,0|2,0,0]=4 2792 B14R1.2879 CC(CO)Oc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_100012180447 [1,1,0,0,0,0|0,0,0]=2 2793 B14R1.2879 CC(CO)Oc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_100012180447 [1,1,0,0,0,0|0,0,0]=2 2794 B14R1.2879 CC(CO)Oc1ccc(nc1)[N+](=O)[O-] 7a_100000060138_100012180447 [1,1,0,0,0,0|1,0,0]=3 2795 B14R1.2879 CCC(=O)Cc1ccc(cc1)[N+](=O)[O-] 1458a_100000210414_100000181861 [1,1,0,0,0,0|1,0,1]=4 2796 B14R1.2879 CCC(=O)Cc1ccc(cc1)[N+](=O)[O-] 1458a_100000210908_100000210202 [1,1,0,0,0,0|1,0,1]=4 2797 B14R1.2879 CCC(=O)Nc1ccc(cc1)[N+](=O)[O-] 11a_100015195142_100000210414 [1,1,0,0,0,0|1,0,1]=4 2798 B14R1.2879 CCC(=O)Nc1ccc(cc1)[N+](=O)[O-] 1626a_100015195142_100000210414 [1,1,0,0,0,0|1,0,1]=4 2799 B14R1.2879 CCC(C)Nc1ccc(cc1)[N+](=O)[O-] 2230a_100015195142_100000758301 [1,1,0,0,0,0|1,0,0]=3 2800 B14R1.2879 CCC(C)Nc1ccc(cc1)[N+](=O)[O-] 34a_100015195142_100011215416 [1,1,0,0,0,0|1,0,0]=3 2801 B14R1.2879 CCC(C)Oc1ccc(cc1)C(=O)C 1458a_200000188679_200000210301 [1,1,0,0,0,0|2,0,0]=4 2802 B14R1.2879 CCC(C)Oc1ccc(cc1)C(=O)C 34a_100000185113_100011215416 [1,1,0,0,0,0|2,0,0]=4 2803 B14R1.2879 CCC(C)Oc1ccc(cc1)C(=O)C 7a_100000185113_100000758301 [1,1,0,0,0,0|2,0,0]=4 2804 B14R1.2879 CCC(C)Oc1ccc(cc1)C(=O)N 34a_100000746352_100011215416 [1,1,0,0,0,0|2,0,0]=4 2805 B14R1.2879 CCC(C)Oc1ccc(cc1)C(=O)N 7a_100000746352_100000758301 [1,1,0,0,0,0|2,0,0]=4 2806 B14R1.2879 CCC(C)Oc1ccc(cc1)C(=O)[13CH3] 1458a_200000188679_200025704644 [1,1,0,0,0,0|2,0,0]=4 2807 B14R1.2879 CCC(C)Oc1ccc(cc1)S(=O)C 34a_200000064373_100011215416 [1,1,0,0,0,0|2,0,0]=4 2808 B14R1.2879 CCC(C)Oc1ccc(cc1)S(=O)C 7a_200000064373_100000758301 [1,1,0,0,0,0|2,0,0]=4 2809 B14R1.2879 CCC(C)Oc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_100011215416 [1,1,0,0,0,0|0,0,0]=2 2810 B14R1.2879 CCC(C)Oc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_100000758301 [1,1,0,0,0,0|0,0,0]=2 2811 B14R1.2879 CCC(C)Oc1ccc(nc1)[N+](=O)[O-] 7a_100000060138_100000758301 [1,1,0,0,0,0|1,0,0]=3 2812 B14R1.2879 CCN(C)Cc1ccc(cc1)[N+](=O)[O-] 2230a_100000225621_100000181861 [1,1,0,0,0,0|2,0,0]=4 2813 B14R1.2879 CCN(C)Cc1ccc(cc1)[N+](=O)[O-] 2230a_100015189985_100000210202 [1,1,0,0,0,0|2,0,0]=4 2814 B14R1.2879 CCN(C)Cc1ccc(cc1)[N+](=O)[O-] 2230a_100103154555_200000210301 [1,1,0,0,0,0|2,0,0]=4 2815 B14R1.2879 CCN(C)Cc1ccc(cc1)[N+](=O)[O-] 269982a_100000225621_100000184243 [1,1,0,0,0,0|2,0,0]=4 2816 B14R1.2879 CCN(C)Cc1ccc(cc1)[N+](=O)[O-] 269982a_100015189985_100000204670 [1,1,0,0,0,0|2,0,0]=4 2817 B14R1.2879 CCN(C)Cc1ccc(cc1)[N+](=O)[O-] 269982a_100103154555_200000210301 [1,1,0,0,0,0|2,0,0]=4 2818 B14R1.2879 CCN(C)Cc1ccc(cc1)[N+](=O)[O-] 26a_100000225621_100000185810 [1,1,0,0,0,0|2,0,0]=4 2819 B14R1.2879 CCN([13CH3])Cc1ccc(cc1)[N+](=O)[O-] 2230a_100103154555_200025704644 [1,1,0,0,0,0|2,0,0]=4 2820 B14R1.2879 CCN([13CH3])Cc1ccc(cc1)[N+](=O)[O-] 269982a_100103154555_200025704644 [1,1,0,0,0,0|2,0,0]=4 2821 B14R1.2879 CN(CF)Cc1ccc(cc1)[N+](=O)[O-] 269982a_100015189985_100015361967 [1,1,0,0,0,0|2,0,0]=4 2822 B14R1.2879 CNC(C)Cc1ccc(cc1)[N+](=O)[O-] 270004a_106832991635_100011217814 [1,1,0,0,0,0|2,0,0]=4 2823 B14R1.2879 O=C(CF)Cc1ccc(cc1)[N+](=O)[O-] 1458a_100000210908_100015361967 [1,1,0,0,0,0|1,0,1]=4 2824 B14R1.2879 O=C(CO)Cc1ccc(cc1)[N+](=O)[O-] 1458a_100000210174_100000181861 [1,1,0,0,0,0|0,0,1]=3 2825 B14R1.4 C=Cc1ccc(cc1)OCCC(C)O 34a_100000189437_100012276601 [1,1,0,0,0,0|2,0,0]=4 2826 B14R1.4 C=Cc1ccc(cc1)OCCC(C)O 7a_100000189437_100012276601 [1,1,0,0,0,0|2,0,0]=4 2827 B14R1.4 CC(O)CCOc1ccc(cc1)C#N 34a_100000210344_100012276601 [1,1,0,0,0,0|2,0,0]=4 2828 B14R1.4 CC(O)CCOc1ccc(cc1)C#N 7a_100000210344_100012276601 [1,1,0,0,0,0|2,0,0]=4 2829 B14R1.4 CC(O)CCOc1ccc(cc1)CN 34a_100000185549_100012276601 [1,1,0,0,0,0|2,0,0]=4 2830 B14R1.4 CC(O)CCOc1ccc(cc1)CO 34a_100000211755_100012276601 [1,1,0,0,0,0|1,0,1]=4 2831 B14R1.4 CC(O)CCSc1ccc(cc1)C=O 62a_100000188517_100012276601 [1,1,0,0,0,0|1,1,0]=4 2832 B14R1.4 CC(O)CCSc1ccc(cc1)C=O 62a_100012276601_100000188517 [1,1,0,0,0,0|1,1,0]=4 2833 B14R1.4 CCc1ccc(cc1)OCCC(C)O 34a_100000211359_100012276601 [1,1,0,0,0,0|2,0,0]=4 2834 B14R1.4 CCc1ccc(cc1)OCCC(C)O 7a_100000211359_100012276601 [1,1,0,0,0,0|2,0,0]=4 2835 B14R1.4 CNc1ccc(cc1)OCCC(C)O 34a_100000182112_100012276601 [1,1,0,0,0,0|1,0,1]=4 2836 B14R1.4 COc1ccc(cc1)OCCC(C)O 34a_100000210503_100012276601 [1,1,0,0,0,0|2,0,0]=4 2837 B14R1.4 CSc1ccc(cc1)OCCC(C)O 34a_100000211864_100012276601 [1,1,0,0,0,0|2,0,0]=4 2838 B14R1.5 C=Cc1ccc(cc1)OCC(O)CO 34a_100000189437_100011219619 [1,1,0,0,0,0|2,0,0]=4 2839 B14R1.5 C=Cc1ccc(cc1)OCC(O)CO 7a_100000189437_100011219619 [1,1,0,0,0,0|2,0,0]=4 2840 B14R1.5 C=Cc1ccc(cc1)OC[C@@H](C)CO 34a_100000189437_100000059175 [1,1,0,0,0,0|2,0,0]=4 2841 B14R1.5 C=Cc1ccc(cc1)OC[C@@H](C)CO 7a_100000189437_100000059175 [1,1,0,0,0,0|2,0,0]=4 2842 B14R1.5 C=Cc1ccc(cc1)OC[C@@H](O)CO 34a_100000189437_100009815848 [1,1,0,0,0,0|2,0,0]=4 2843 B14R1.5 C=Cc1ccc(cc1)OC[C@@H](O)CO 7a_100000189437_100009815848 [1,1,0,0,0,0|2,0,0]=4 2844 B14R1.5 CCc1ccc(cc1)OCC(O)CO 34a_100000211359_100011219619 [1,1,0,0,0,0|2,0,0]=4 2845 B14R1.5 CCc1ccc(cc1)OCC(O)CO 7a_100000211359_100011219619 [1,1,0,0,0,0|2,0,0]=4 2846 B14R1.5 CCc1ccc(cc1)OC[C@@H](C)CO 34a_100000211359_100000059175 [1,1,0,0,0,0|2,0,0]=4 2847 B14R1.5 CCc1ccc(cc1)OC[C@@H](C)CO 7a_100000211359_100000059175 [1,1,0,0,0,0|2,0,0]=4 2848 B14R1.5 CCc1ccc(cc1)OC[C@@H](O)CO 34a_100000211359_100009815848 [1,1,0,0,0,0|2,0,0]=4 2849 B14R1.5 CCc1ccc(cc1)OC[C@@H](O)CO 7a_100000211359_100009815848 [1,1,0,0,0,0|2,0,0]=4 2850 B14R1.5 CNc1ccc(cc1)OCC(O)CO 34a_100000182112_100011219619 [1,1,0,0,0,0|1,0,1]=4 2851 B14R1.5 CNc1ccc(cc1)OC[C@@H](C)CO 34a_100000182112_100000059175 [1,1,0,0,0,0|1,0,1]=4 2852 B14R1.5 CNc1ccc(cc1)OC[C@@H](O)CO 34a_100000182112_100009815848 [1,1,0,0,0,0|1,0,1]=4 2853 B14R1.5 COc1ccc(cc1)OCC(O)CO 34a_100000210503_100011219619 [1,1,0,0,0,0|2,0,0]=4 2854 B14R1.5 COc1ccc(cc1)OC[C@@H](C)CO 34a_100000210503_100000059175 [1,1,0,0,0,0|2,0,0]=4 2855 B14R1.5 COc1ccc(cc1)OC[C@@H](O)CO 34a_100000210503_100009815848 [1,1,0,0,0,0|2,0,0]=4 2856 B14R1.5 CSc1ccc(cc1)OCC(O)CO 34a_100000211864_100011219619 [1,1,0,0,0,0|2,0,0]=4 2857 B14R1.5 CSc1ccc(cc1)OC[C@@H](C)CO 34a_100000211864_100000059175 [1,1,0,0,0,0|2,0,0]=4 2858 B14R1.5 CSc1ccc(cc1)OC[C@@H](O)CO 34a_100000211864_100009815848 [1,1,0,0,0,0|2,0,0]=4 2859 B14R1.5 C[C@@H](CO)COc1ccc(cc1)C#N 34a_100000210344_100000059175 [1,1,0,0,0,0|2,0,0]=4 2860 B14R1.5 C[C@@H](CO)COc1ccc(cc1)C#N 7a_100000210344_100000059175 [1,1,0,0,0,0|2,0,0]=4 2861 B14R1.5 C[C@@H](CO)COc1ccc(cc1)CN 34a_100000185549_100000059175 [1,1,0,0,0,0|2,0,0]=4 2862 B14R1.5 C[C@@H](CO)COc1ccc(cc1)CO 34a_100000211755_100000059175 [1,1,0,0,0,0|1,0,1]=4 2863 B14R1.5 C[C@@H](CO)CSc1ccc(cc1)C=O 62a_100000059175_100000188517 [1,1,0,0,0,0|1,1,0]=4 2864 B14R1.5 C[C@@H](CO)CSc1ccc(cc1)C=O 62a_100000188517_100000059175 [1,1,0,0,0,0|1,1,0]=4 2865 B14R1.5 N#Cc1ccc(cc1)OCC(O)CO 34a_100000210344_100011219619 [1,1,0,0,0,0|2,0,0]=4 2866 B14R1.5 N#Cc1ccc(cc1)OCC(O)CO 7a_100000210344_100011219619 [1,1,0,0,0,0|2,0,0]=4 2867 B14R1.5 N#Cc1ccc(cc1)OC[C@@H](O)CO 34a_100000210344_100009815848 [1,1,0,0,0,0|2,0,0]=4 2868 B14R1.5 N#Cc1ccc(cc1)OC[C@@H](O)CO 7a_100000210344_100009815848 [1,1,0,0,0,0|2,0,0]=4 2869 B14R1.5 NCc1ccc(cc1)OCC(O)CO 34a_100000185549_100011219619 [1,1,0,0,0,0|2,0,0]=4 2870 B14R1.5 NCc1ccc(cc1)OC[C@@H](O)CO 34a_100000185549_100009815848 [1,1,0,0,0,0|2,0,0]=4 2871 B14R1.5 O=Cc1ccc(cc1)SCC(O)CO 62a_100000188517_100011219619 [1,1,0,0,0,0|1,1,0]=4 2872 B14R1.5 O=Cc1ccc(cc1)SCC(O)CO 62a_100011219619_100000188517 [1,1,0,0,0,0|1,1,0]=4 2873 B14R1.5 O=Cc1ccc(cc1)SC[C@@H](O)CO 62a_100000188517_100009815848 [1,1,0,0,0,0|1,1,0]=4 2874 B14R1.5 O=Cc1ccc(cc1)SC[C@@H](O)CO 62a_100009815848_100000188517 [1,1,0,0,0,0|1,1,0]=4 2875 B14R1.5 OCc1ccc(cc1)OCC(O)CO 34a_100000211755_100011219619 [1,1,0,0,0,0|1,0,1]=4 2876 B14R1.5 OCc1ccc(cc1)OC[C@@H](O)CO 34a_100000211755_100009815848 [1,1,0,0,0,0|1,0,1]=4 2877 B14R1.463 CCc1ccc(c(c1)Br)OCCCO 34a_100012339963_100000230001 [1,1,0,0,0,0|2,0,0]=4 2878 B14R1.463 CCc1ccc(c(c1)Br)OCCCO 7a_100012339963_100011215043 [1,1,0,0,0,0|2,0,0]=4 2879 B14R1.463 CCc1ccc(c(c1)N)OCCCO 34a_100000765835_100000230001 [1,1,0,0,0,0|2,0,0]=4 2880 B14R1.463 CCc1ccc(c(c1)N)OCCCO 7a_100000765835_100011215043 [1,1,0,0,0,0|2,0,0]=4 2881 B14R1.463 COc1ccc(c(c1)Br)OCCCO 34a_100000685887_100000230001 [1,1,0,0,0,0|2,0,0]=4 2882 B14R1.463 COc1ccc(c(c1)Br)OCCCO 7a_100000685887_100011215043 [1,1,0,0,0,0|2,0,0]=4 2883 B14R1.463 COc1ccc(c(c1)C)OCCCO 34a_100012002223_100000230001 [1,1,0,0,0,0|2,0,0]=4 2884 B14R1.463 COc1ccc(c(c1)C)OCCCO 7a_100012002223_100011215043 [1,1,0,0,0,0|2,0,0]=4 2885 B14R1.463 COc1ccc(c(c1)Cl)OCCCO 34a_100000038596_100000230001 [1,1,0,0,0,0|2,0,0]=4 2886 B14R1.463 COc1ccc(c(c1)Cl)OCCCO 7a_100000038596_100011215043 [1,1,0,0,0,0|2,0,0]=4 2887 B14R1.463 COc1ccc(c(c1)F)OCCCO 34a_100000036999_100000230001 [1,1,0,0,0,0|2,0,0]=4 2888 B14R1.463 COc1ccc(c(c1)F)OCCCO 7a_100000036999_100011215043 [1,1,0,0,0,0|2,0,0]=4 2889 B14R1.463 COc1ccc(c(c1)N)OCCCO 34a_100000188146_100000230001 [1,1,0,0,0,0|2,0,0]=4 2890 B14R1.463 Cc1cc(ccc1OCCCO)C#N 34a_100000749339_100000230001 [1,1,0,0,0,0|2,0,0]=4 2891 B14R1.463 Cc1cc(ccc1OCCCO)C#N 7a_100000749339_100011215043 [1,1,0,0,0,0|2,0,0]=4 2892 B14R1.463 Cc1cc(ccc1OCCCO)CO 34a_100000075815_100000230001 [1,1,0,0,0,0|1,0,1]=4 2893 B14R1.463 Cc1cc(ccc1OCCCO)CO 7a_100000075815_100011215043 [1,1,0,0,0,0|1,0,1]=4 2894 B14R1.463 Cc1cc(ccc1SCCCO)C=O 62a_100000765772_100011215043 [1,1,0,0,0,0|1,1,0]=4 2895 B14R1.463 Cc1cc(ccc1SCCCO)C=O 62a_100011215043_100000765772 [1,1,0,0,0,0|1,1,0]=4 2896 B14R1.463 N#Cc1ccc(c(c1)Br)OCCCO 34a_100011216086_100000230001 [1,1,0,0,0,0|2,0,0]=4 2897 B14R1.463 N#Cc1ccc(c(c1)Br)OCCCO 7a_100011216086_100011215043 [1,1,0,0,0,0|2,0,0]=4 2898 B14R1.463 N#Cc1ccc(c(c1)Cl)OCCCO 34a_100000205955_100000230001 [1,1,0,0,0,0|2,0,0]=4 2899 B14R1.463 N#Cc1ccc(c(c1)Cl)OCCCO 7a_100000205955_100011215043 [1,1,0,0,0,0|2,0,0]=4 2900 B14R1.463 N#Cc1ccc(c(c1)F)OCCCO 34a_100000751310_100000230001 [1,1,0,0,0,0|2,0,0]=4 2901 B14R1.463 N#Cc1ccc(c(c1)F)OCCCO 7a_100000751310_100011215043 [1,1,0,0,0,0|2,0,0]=4 2902 B14R1.463 N#Cc1ccc(c(c1)I)OCCCO 34a_100000725478_100000230001 [1,1,0,0,0,0|2,0,0]=4 2903 B14R1.463 N#Cc1ccc(c(c1)I)OCCCO 7a_100000725478_100011215043 [1,1,0,0,0,0|2,0,0]=4 2904 B14R1.463 N#Cc1ccc(c(c1)N)OCCCO 34a_100000766272_100000230001 [1,1,0,0,0,0|2,0,0]=4 2905 B14R1.463 N#Cc1ccc(c(c1)N)OCCCO 7a_100000766272_100011215043 [1,1,0,0,0,0|2,0,0]=4 2906 B14R1.463 NCc1ccc(c(c1)F)OCCCO 34a_100000758358_100000230001 [1,1,0,0,0,0|2,0,0]=4 2907 B14R1.463 Nc1cc(ccc1OCCCO)CO 34a_100000123545_100000230001 [1,1,0,0,0,0|1,0,1]=4 2908 B14R1.463 O=Cc1ccc(c(c1)F)SCCCO 62a_100000686674_100011215043 [1,1,0,0,0,0|1,1,0]=4 2909 B14R1.463 O=Cc1ccc(c(c1)F)SCCCO 62a_100011215043_100000686674 [1,1,0,0,0,0|1,1,0]=4 2910 B14R1.463 O=Cc1ccc(c(c1)O)SCCCO 62a_100000041418_100011215043 [1,1,0,0,0,0|1,1,0]=4 2911 B14R1.463 O=Cc1ccc(c(c1)O)SCCCO 62a_100011215043_100000041418 [1,1,0,0,0,0|1,1,0]=4 2912 B14R1.463 OCCCOc1ccc(cc1Br)CO 34a_100011191544_100000230001 [1,1,0,0,0,0|1,0,1]=4 2913 B14R1.463 OCCCOc1ccc(cc1Br)CO 7a_100011191544_100011215043 [1,1,0,0,0,0|1,0,1]=4 2914 B14R1.465 C=C=Cc1ccc(cc1)OCCCO 271570a_100015277604_100000756186 [1,1,0,0,0,0|2,0,0]=4 2915 B14R1.465 C=CCc1ccc(cc1)OCCCO 34a_100000078792_100000230001 [1,1,0,0,0,0|2,0,0]=4 2916 B14R1.465 C=CCc1ccc(cc1)OCCCO 7a_100000078792_100011215043 [1,1,0,0,0,0|2,0,0]=4 2917 B14R1.465 CC=Cc1ccc(cc1)OCCCO 271570a_100016259895_100000756186 [1,1,0,0,0,0|2,0,0]=4 2918 B14R1.465 CCCc1ccc(cc1)OCCCO 34a_100000749406_100000230001 [1,1,0,0,0,0|2,0,0]=4 2919 B14R1.465 CCCc1ccc(cc1)OCCCO 7a_100000749406_100011215043 [1,1,0,0,0,0|2,0,0]=4 2920 B14R1.465 CCNc1ccc(cc1)OCCCO 2230a_100000730458_100000210202 [1,1,0,0,0,0|1,0,1]=4 2921 B14R1.465 CCNc1ccc(cc1)OCCCO 34a_100000730458_100000210202 [1,1,0,0,0,0|1,0,1]=4 2922 B14R1.465 CCNc1ccc(cc1)OCCCO 34a_100011337800_100000230001 [1,1,0,0,0,0|1,0,1]=4 2923 B14R1.465 CCNc1ccc(cc1)OCCCO 7a_100011337800_100011215043 [1,1,0,0,0,0|1,0,1]=4 2924 B14R1.465 CCOc1ccc(cc1)OCCCO 34a_100000185467_100000230001 [1,1,0,0,0,0|2,0,0]=4 2925 B14R1.465 CCSc1ccc(cc1)OCCCO 62a_100000210202_100000756186 [1,1,0,0,0,0|2,0,0]=4 2926 B14R1.465 CCSc1ccc(cc1)OCCCO 62a_100000756186_100000210202 [1,1,0,0,0,0|2,0,0]=4 2927 B14R1.465 CNCc1ccc(cc1)OCCCO 34a_100000207500_100000230001 [1,1,0,0,0,0|1,0,1]=4 2928 B14R1.465 COCc1ccc(cc1)OCCCO 34a_200011995677_100000230001 [1,1,0,0,0,0|1,0,1]=4 2929 B14R1.465 COCc1ccc(cc1)OCCCO 7a_200011995677_100011215043 [1,1,0,0,0,0|1,0,1]=4 2930 B14R1.465 N#CCc1ccc(cc1)OCCCO 34a_100000198970_100000230001 [1,1,0,0,0,0|2,0,0]=4 2931 B14R1.465 N#CCc1ccc(cc1)OCCCO 7a_100000198970_100011215043 [1,1,0,0,0,0|2,0,0]=4 2932 B14R1.465 NCCc1ccc(cc1)OCCCO 34a_100000743037_100000230001 [1,1,0,0,0,0|2,0,0]=4 2933 B14R1.465 O=CCc1ccc(cc1)SCCCO 62a_100011215043_100011361690 [1,1,0,0,0,0|1,1,0]=4 2934 B14R1.465 O=CCc1ccc(cc1)SCCCO 62a_100011361690_100011215043 [1,1,0,0,0,0|1,1,0]=4 2935 B14R1.465 OCCCOc1ccc(cc1)CCBr 34a_100009816426_100000230001 [1,1,0,0,0,0|2,0,0]=4 2936 B14R1.465 OCCCOc1ccc(cc1)CCBr 7a_100009816426_100011215043 [1,1,0,0,0,0|2,0,0]=4 2937 B14R1.465 OCCCOc1ccc(cc1)CCO 34a_100011215338_100000230001 [1,1,0,0,0,0|1,0,1]=4 2938 B14R1.465 OCCCOc1ccc(cc1)CCO 7a_100011215338_100011215043 [1,1,0,0,0,0|1,0,1]=4 2939 B14R1.465 OCCCOc1ccc(cc1)NCF 34a_100000730458_100015361967 [1,1,0,0,0,0|1,0,1]=4 2940 B14R1.465 OCCCOc1ccc(cc1)SCF 62a_100000756186_100015361967 [1,1,0,0,0,0|2,0,0]=4 2941 B14R1.465 OCCCOc1ccc(cc1)SCF 62a_100015361967_100000756186 [1,1,0,0,0,0|2,0,0]=4 2942 B14R1.776 C#Cc1ccc(cc1)COCCCO 34a_100000054647_100000230001 [1,1,0,0,0,0|2,0,0]=4 2943 B14R1.776 C#Cc1ccc(cc1)COCCCO 7a_100000054647_100011215043 [1,1,0,0,0,0|2,0,0]=4 2944 B14R1.776 C=Cc1ccc(cc1)COCCCO 34a_100000073583_100000230001 [1,1,0,0,0,0|2,0,0]=4 2945 B14R1.776 C=Cc1ccc(cc1)COCCCO 7a_100000073583_100011215043 [1,1,0,0,0,0|2,0,0]=4 2946 B14R1.776 C=Cc1ccc(cc1)OCCCCO 34a_100000189437_100011216708 [1,1,0,0,0,0|2,0,0]=4 2947 B14R1.776 C=Cc1ccc(cc1)OCCCCO 7a_100000189437_100000210776 [1,1,0,0,0,0|2,0,0]=4 2948 B14R1.776 C=Cc1ccc(cc1)OCCCOC 271570a_100011290941_200011326559 [1,1,0,0,0,0|2,0,0]=4 2949 B14R1.776 C=Cc1ccc(cc1)OCCCOC 34a_100000189437_100000740836 [1,1,0,0,0,0|2,0,0]=4 2950 B14R1.776 C=Cc1ccc(cc1)OCCCOC 7a_100000189437_100000740836 [1,1,0,0,0,0|2,0,0]=4 2951 B14R1.776 CCCCOCc1ccc(cc1)C=O 34a_100000210227_100009816848 [1,1,0,0,0,0|2,0,0]=4 2952 B14R1.776 CCCCOCc1ccc(cc1)C=O 7a_100000210227_100009816848 [1,1,0,0,0,0|2,0,0]=4 2953 B14R1.776 CCNCCOc1ccc(cc1)C=O 2230a_100015525214_100000040479 [1,1,0,0,0,0|2,0,0]=4 2954 B14R1.776 CCOCCOc1ccc(cc1)C=O 34a_100121572206_100000040479 [1,1,0,0,0,0|2,0,0]=4 2955 B14R1.776 CCSCCOc1ccc(cc1)C=O 62a_100000040479_100000210202 [1,1,0,0,0,0|2,0,0]=4 2956 B14R1.776 CCSCCOc1ccc(cc1)C=O 62a_100000210202_100000040479 [1,1,0,0,0,0|2,0,0]=4 2957 B14R1.776 CCc1ccc(cc1)COCCCO 34a_100000702245_100000230001 [1,1,0,0,0,0|2,0,0]=4 2958 B14R1.776 CCc1ccc(cc1)COCCCO 7a_100000702245_100011215043 [1,1,0,0,0,0|2,0,0]=4 2959 B14R1.776 CCc1ccc(cc1)OCCCCO 34a_100000211359_100011216708 [1,1,0,0,0,0|2,0,0]=4 2960 B14R1.776 CCc1ccc(cc1)OCCCCO 7a_100000211359_100000210776 [1,1,0,0,0,0|2,0,0]=4 2961 B14R1.776 CCc1ccc(cc1)OCCCOC 34a_100000211359_100000740836 [1,1,0,0,0,0|2,0,0]=4 2962 B14R1.776 CCc1ccc(cc1)OCCCOC 7a_100000211359_100000740836 [1,1,0,0,0,0|2,0,0]=4 2963 B14R1.776 CNc1ccc(cc1)OCCCCO 34a_100000182112_100011216708 [1,1,0,0,0,0|1,0,1]=4 2964 B14R1.776 CNc1ccc(cc1)OCCCOC 34a_100000182112_100000740836 [1,1,0,0,0,0|1,0,1]=4 2965 B14R1.776 COCCCOc1ccc(cc1)C#N 34a_100000210344_100000740836 [1,1,0,0,0,0|2,0,0]=4 2966 B14R1.776 COCCCOc1ccc(cc1)C#N 34a_100138415774_200000738573 [1,1,0,0,0,0|2,0,0]=4 2967 B14R1.776 COCCCOc1ccc(cc1)C#N 7a_100000210344_100000740836 [1,1,0,0,0,0|2,0,0]=4 2968 B14R1.776 COCCCOc1ccc(cc1)CN 34a_100000185549_100000740836 [1,1,0,0,0,0|2,0,0]=4 2969 B14R1.776 COCCCOc1ccc(cc1)CO 34a_100000211755_100000740836 [1,1,0,0,0,0|1,0,1]=4 2970 B14R1.776 COCCCOc1ccc(cc1)OC 34a_100000210503_100000740836 [1,1,0,0,0,0|2,0,0]=4 2971 B14R1.776 COCCCOc1ccc(cc1)OC 34a_100011305861_200000210301 [1,1,0,0,0,0|2,0,0]=4 2972 B14R1.776 COCCCOc1ccc(cc1)OC 34a_100138415774_100000212274 [1,1,0,0,0,0|2,0,0]=4 2973 B14R1.776 COCCCOc1ccc(cc1)SC 34a_100000211864_100000740836 [1,1,0,0,0,0|2,0,0]=4 2974 B14R1.776 COCCCOc1ccc(cc1)SC 62a_200000210301_200011326559 [1,1,0,0,0,0|2,0,0]=4 2975 B14R1.776 COCCCOc1ccc(cc1)SC 62a_200011326559_200000210301 [1,1,0,0,0,0|2,0,0]=4 2976 B14R1.776 COCCCOc1ccc(cc1)S[13CH3] 62a_200011326559_200025704644 [1,1,0,0,0,0|2,0,0]=4 2977 B14R1.776 COCCCOc1ccc(cc1)S[13CH3] 62a_200025704644_200011326559 [1,1,0,0,0,0|2,0,0]=4 2978 B14R1.776 COCCCSc1ccc(cc1)C=O 62a_100000188517_100000709357 [1,1,0,0,0,0|1,1,0]=4 2979 B14R1.776 COCCCSc1ccc(cc1)C=O 62a_100000709357_100000188517 [1,1,0,0,0,0|1,1,0]=4 2980 B14R1.776 COc1ccc(cc1)COCCCO 34a_100000173359_100000230001 [1,1,0,0,0,0|2,0,0]=4 2981 B14R1.776 COc1ccc(cc1)OCCCCO 34a_100000210503_100011216708 [1,1,0,0,0,0|2,0,0]=4 2982 B14R1.776 COc1ccc(cc1)OCCCO[13CH3] 34a_100011305861_200025704644 [1,1,0,0,0,0|2,0,0]=4 2983 B14R1.776 CSc1ccc(cc1)COCCCO 34a_100011215404_100000230001 [1,1,0,0,0,0|2,0,0]=4 2984 B14R1.776 CSc1ccc(cc1)COCCCO 7a_100011215404_100011215043 [1,1,0,0,0,0|2,0,0]=4 2985 B14R1.776 CSc1ccc(cc1)OCCCCO 34a_100000211864_100011216708 [1,1,0,0,0,0|2,0,0]=4 2986 B14R1.776 N#Cc1ccc(cc1)COCCCO 34a_100000238739_100000230001 [1,1,0,0,0,0|2,0,0]=4 2987 B14R1.776 N#Cc1ccc(cc1)COCCCO 7a_100000238739_100011215043 [1,1,0,0,0,0|2,0,0]=4 2988 B14R1.776 N#Cc1ccc(cc1)OCCCCO 34a_100000210344_100011216708 [1,1,0,0,0,0|2,0,0]=4 2989 B14R1.776 N#Cc1ccc(cc1)OCCCCO 7a_100000210344_100000210776 [1,1,0,0,0,0|2,0,0]=4 2990 B14R1.776 NCCCOCc1ccc(cc1)C=O 34a_100000182051_100009816848 [1,1,0,0,0,0|2,0,0]=4 2991 B14R1.776 NCc1ccc(cc1)COCCCO 34a_100015189231_100000230001 [1,1,0,0,0,0|2,0,0]=4 2992 B14R1.776 NCc1ccc(cc1)OCCCCO 34a_100000185549_100011216708 [1,1,0,0,0,0|2,0,0]=4 2993 B14R1.776 O=Cc1ccc(cc1)COCCCBr 34a_100011217188_100009816848 [1,1,0,0,0,0|2,0,0]=4 2994 B14R1.776 O=Cc1ccc(cc1)COCCCCl 34a_100000230001_100009816848 [1,1,0,0,0,0|2,0,0]=4 2995 B14R1.776 O=Cc1ccc(cc1)COCCCF 34a_100000759539_100009816848 [1,1,0,0,0,0|2,0,0]=4 2996 B14R1.776 O=Cc1ccc(cc1)CSCCCO 62a_100009816848_100011215043 [1,1,0,0,0,0|1,1,0]=4 2997 B14R1.776 O=Cc1ccc(cc1)CSCCCO 62a_100011215043_100009816848 [1,1,0,0,0,0|1,1,0]=4 2998 B14R1.776 O=Cc1ccc(cc1)OCCSCF 62a_100000040479_100015361967 [1,1,0,0,0,0|2,0,0]=4 2999 B14R1.776 O=Cc1ccc(cc1)OCCSCF 62a_100015361967_100000040479 [1,1,0,0,0,0|2,0,0]=4 3000 B14R1.776 O=Cc1ccc(cc1)SCCCCO 62a_100000188517_100000210776 [1,1,0,0,0,0|1,1,0]=4 3001 B14R1.776 O=Cc1ccc(cc1)SCCCCO 62a_100000210776_100000188517 [1,1,0,0,0,0|1,1,0]=4 3002 B14R1.776 OCCCCOc1ccc(cc1)CO 34a_100000211755_100011216708 [1,1,0,0,0,0|1,0,1]=4 3003 B14R1.776 OCCCOCc1ccc(cc1)CBr 34a_100012353999_100000230001 [1,1,0,0,0,0|2,0,0]=4 3004 B14R1.776 OCCCOCc1ccc(cc1)CBr 7a_100012353999_100011215043 [1,1,0,0,0,0|2,0,0]=4 3005 B14R1.776 OCCCOCc1ccc(cc1)CCl 34a_100000067286_100000230001 [1,1,0,0,0,0|2,0,0]=4 3006 B14R1.776 OCCCOCc1ccc(cc1)CCl 7a_100000067286_100011215043 [1,1,0,0,0,0|2,0,0]=4 3007 B14R1.909 CCc1ccc(cc1Cl)OCCCO 34a_100009886192_100000230001 [1,1,0,0,0,0|2,0,0]=4 3008 B14R1.909 CCc1ccc(cc1Cl)OCCCO 7a_100009886192_100011215043 [1,1,0,0,0,0|2,0,0]=4 3009 B14R1.909 CNc1ccc(cc1C)OCCCO 34a_100161107805_100000230001 [1,1,0,0,0,0|1,0,1]=4 3010 B14R1.909 CNc1ccc(cc1C)OCCCO 7a_100161107805_100011215043 [1,1,0,0,0,0|1,0,1]=4 3011 B14R1.909 COc1ccc(cc1Br)OCCCO 34a_100010234764_100000230001 [1,1,0,0,0,0|2,0,0]=4 3012 B14R1.909 COc1ccc(cc1Br)OCCCO 7a_100010234764_100011215043 [1,1,0,0,0,0|2,0,0]=4 3013 B14R1.909 COc1ccc(cc1C)OCCCO 34a_100000759738_100000230001 [1,1,0,0,0,0|2,0,0]=4 3014 B14R1.909 COc1ccc(cc1C)OCCCO 7a_100000759738_100011215043 [1,1,0,0,0,0|2,0,0]=4 3015 B14R1.909 COc1ccc(cc1Cl)OCCCO 34a_200009861682_100000230001 [1,1,0,0,0,0|2,0,0]=4 3016 B14R1.909 COc1ccc(cc1Cl)OCCCO 7a_200009861682_100011215043 [1,1,0,0,0,0|2,0,0]=4 3017 B14R1.909 COc1ccc(cc1F)OCCCO 34a_100000746305_100000230001 [1,1,0,0,0,0|2,0,0]=4 3018 B14R1.909 COc1ccc(cc1F)OCCCO 7a_100000746305_100011215043 [1,1,0,0,0,0|2,0,0]=4 3019 B14R1.909 COc1ccc(cc1I)OCCCO 34a_100010084122_100000230001 [1,1,0,0,0,0|2,0,0]=4 3020 B14R1.909 COc1ccc(cc1I)OCCCO 7a_100010084122_100011215043 [1,1,0,0,0,0|2,0,0]=4 3021 B14R1.909 CSc1ccc(cc1C)OCCCO 34a_100000030144_100000230001 [1,1,0,0,0,0|2,0,0]=4 3022 B14R1.909 Cc1cc(ccc1C#N)OCCCO 34a_100000720286_100000230001 [1,1,0,0,0,0|2,0,0]=4 3023 B14R1.909 Cc1cc(ccc1C#N)OCCCO 7a_100000720286_100011215043 [1,1,0,0,0,0|2,0,0]=4 3024 B14R1.909 Cc1cc(ccc1C=O)SCCCO 62a_100000766358_100011215043 [1,1,0,0,0,0|1,1,0]=4 3025 B14R1.909 Cc1cc(ccc1C=O)SCCCO 62a_100011215043_100000766358 [1,1,0,0,0,0|1,1,0]=4 3026 B14R1.909 N#Cc1ccc(cc1Br)OCCCO 34a_100012184851_100000230001 [1,1,0,0,0,0|2,0,0]=4 3027 B14R1.909 N#Cc1ccc(cc1Br)OCCCO 7a_100012184851_100011215043 [1,1,0,0,0,0|2,0,0]=4 3028 B14R1.909 N#Cc1ccc(cc1Cl)OCCCO 34a_100000716493_100000230001 [1,1,0,0,0,0|2,0,0]=4 3029 B14R1.909 N#Cc1ccc(cc1Cl)OCCCO 7a_100000716493_100011215043 [1,1,0,0,0,0|2,0,0]=4 3030 B14R1.909 N#Cc1ccc(cc1F)OCCCO 34a_100000753931_100000230001 [1,1,0,0,0,0|2,0,0]=4 3031 B14R1.909 N#Cc1ccc(cc1F)OCCCO 7a_100000753931_100011215043 [1,1,0,0,0,0|2,0,0]=4 3032 B14R1.909 NCc1ccc(cc1Cl)OCCCO 34a_200161156549_100000230001 [1,1,0,0,0,0|2,0,0]=4 3033 B14R1.909 Nc1cc(ccc1C=O)SCCCO 62a_100009814810_100011215043 [1,1,0,0,0,0|1,1,0]=4 3034 B14R1.909 O=Cc1ccc(cc1Br)SCCCO 62a_100010185650_100011215043 [1,1,0,0,0,0|1,1,0]=4 3035 B14R1.909 O=Cc1ccc(cc1Br)SCCCO 62a_100011215043_100010185650 [1,1,0,0,0,0|1,1,0]=4 3036 B14R1.909 O=Cc1ccc(cc1Cl)SCCCO 62a_100000727542_100011215043 [1,1,0,0,0,0|1,1,0]=4 3037 B14R1.909 O=Cc1ccc(cc1Cl)SCCCO 62a_100011215043_100000727542 [1,1,0,0,0,0|1,1,0]=4 3038 B14R1.909 O=Cc1ccc(cc1F)SCCCO 62a_100000211676_100011215043 [1,1,0,0,0,0|1,1,0]=4 3039 B14R1.909 O=Cc1ccc(cc1F)SCCCO 62a_100011215043_100000211676 [1,1,0,0,0,0|1,1,0]=4 3040 B14R1.909 O=Cc1ccc(cc1O)SCCCO 62a_100011215043_100011277552 [1,1,0,0,0,0|1,1,0]=4 3041 B14R1.909 O=Cc1ccc(cc1O)SCCCO 62a_100011277552_100011215043 [1,1,0,0,0,0|1,1,0]=4 3042 B14R1.909 OCCCOc1ccc(c(c1)Br)CO 34a_100010146404_100000230001 [1,1,0,0,0,0|1,0,1]=4 3043 B14R1.909 OCCCOc1ccc(c(c1)Br)CO 7a_100010146404_100011215043 [1,1,0,0,0,0|1,0,1]=4 3044 B14R1.909 OCCCOc1ccc(c(c1)Cl)CO 34a_200000075811_100000230001 [1,1,0,0,0,0|1,0,1]=4 3045 B14R1.909 OCCCOc1ccc(c(c1)Cl)CO 7a_200000075811_100011215043 [1,1,0,0,0,0|1,0,1]=4 3046 B14R1.909 OCCCOc1ccc(c(c1)F)CO 34a_100000084598_100000230001 [1,1,0,0,0,0|1,0,1]=4 3047 B14R1.909 OCCCOc1ccc(c(c1)F)CO 7a_100000084598_100011215043 [1,1,0,0,0,0|1,0,1]=4 3048 B14R1.954 C=Cc1ccc(cc1)OC(C)CCO 34a_100000189437_100009893172 [1,1,0,0,0,0|2,0,0]=4 3049 B14R1.954 C=Cc1ccc(cc1)OC(C)CCO 7a_100000189437_100009893172 [1,1,0,0,0,0|2,0,0]=4 3050 B14R1.954 CC(CCO)Oc1ccc(cc1)C#N 34a_100000210344_100009893172 [1,1,0,0,0,0|2,0,0]=4 3051 B14R1.954 CC(CCO)Oc1ccc(cc1)C#N 7a_100000210344_100009893172 [1,1,0,0,0,0|2,0,0]=4 3052 B14R1.954 CC(CCO)Oc1ccc(cc1)CN 34a_100000185549_100009893172 [1,1,0,0,0,0|2,0,0]=4 3053 B14R1.954 CC(CCO)Oc1ccc(cc1)CO 34a_100000211755_100009893172 [1,1,0,0,0,0|1,0,1]=4 3054 B14R1.954 CC(CCO)Sc1ccc(cc1)C=O 62a_100000188517_100009893172 [1,1,0,0,0,0|1,1,0]=4 3055 B14R1.954 CC(CCO)Sc1ccc(cc1)C=O 62a_100009893172_100000188517 [1,1,0,0,0,0|1,1,0]=4 3056 B14R1.954 CCc1ccc(cc1)OC(C)CCO 34a_100000211359_100009893172 [1,1,0,0,0,0|2,0,0]=4 3057 B14R1.954 CCc1ccc(cc1)OC(C)CCO 7a_100000211359_100009893172 [1,1,0,0,0,0|2,0,0]=4 3058 B14R1.954 CNc1ccc(cc1)OC(C)CCO 34a_100000182112_100009893172 [1,1,0,0,0,0|1,0,1]=4 3059 B14R1.954 COc1ccc(cc1)OC(C)CCO 34a_100000210503_100009893172 [1,1,0,0,0,0|2,0,0]=4 3060 B14R1.954 CSc1ccc(cc1)OC(C)CCO 34a_100000211864_100009893172 [1,1,0,0,0,0|2,0,0]=4 3061 B14R1.220 CCCCOCc1ccc(o1)[N+](=O)[O-] 34a_100000210227_200011215689 [0,1,0,0,1,0|2,0,0]=4 3062 B14R1.220 CCCCOCc1ccc(o1)[N+](=O)[O-] 7a_100000210227_200011215689 [0,1,0,0,1,0|2,0,0]=4 3063 B14R1.220 CCCCOCc1ccc(o1)[N+](=O)[O-] 7a_100000238365_100000210211 [0,1,0,0,1,0|2,0,0]=4 3064 B14R1.220 CCCCOCc1ccc(s1)[N+](=O)[O-] 34a_100000210227_200010296502 [0,1,0,0,1,0|2,0,0]=4 3065 B14R1.220 CCCCOCc1ccc(s1)[N+](=O)[O-] 7a_100000210227_200010296502 [0,1,0,0,1,0|2,0,0]=4 3066 B14R1.220 CCCCOCc1ccc(s1)[N+](=O)[O-] 7a_100011997354_100000210211 [0,1,0,0,1,0|2,0,0]=4 3067 B14R1.220 NCCCOCc1ccc(o1)[N+](=O)[O-] 34a_100000182051_200011215689 [0,1,0,0,1,0|2,0,0]=4 3068 B14R1.220 NCCCOCc1ccc(s1)[N+](=O)[O-] 34a_100000182051_200010296502 [0,1,0,0,1,0|2,0,0]=4 3069 B14R1.220 O=[N+]([O-])c1ccc(o1)COCCCBr 34a_100011217188_200011215689 [0,1,0,0,1,0|2,0,0]=4 3070 B14R1.220 O=[N+]([O-])c1ccc(o1)COCCCCl 34a_100000230001_200011215689 [0,1,0,0,1,0|2,0,0]=4 3071 B14R1.220 O=[N+]([O-])c1ccc(o1)COCCCF 34a_100000759539_200011215689 [0,1,0,0,1,0|2,0,0]=4 3072 B14R1.220 O=[N+]([O-])c1ccc(o1)COCCCF 7a_100000238365_100011934791 [0,1,0,0,1,0|2,0,0]=4 3073 B14R1.220 O=[N+]([O-])c1ccc(o1)COCCCO 7a_100000238365_100011215043 [0,1,0,0,1,0|1,0,0]=3 3074 B14R1.220 O=[N+]([O-])c1ccc(s1)COCCCBr 34a_100011217188_200010296502 [0,1,0,0,1,0|2,0,0]=4 3075 B14R1.220 O=[N+]([O-])c1ccc(s1)COCCCCl 34a_100000230001_200010296502 [0,1,0,0,1,0|2,0,0]=4 3076 B14R1.220 O=[N+]([O-])c1ccc(s1)COCCCF 34a_100000759539_200010296502 [0,1,0,0,1,0|2,0,0]=4 3077 B14R1.220 O=[N+]([O-])c1ccc(s1)COCCCF 7a_100011997354_100011934791 [0,1,0,0,1,0|2,0,0]=4 3078 B14R1.220 O=[N+]([O-])c1ccc(s1)COCCCO 7a_100011997354_100011215043 [0,1,0,0,1,0|1,0,0]=3 3079 B14R1.220 O=[N+]([O-])c1csc(c1)CNCCCO 207a_100000182051_100000078564 [0,1,0,0,1,0|2,0,0]=4 3080 B14R1.220 O=[N+]([O-])c1csc(c1)CNCCCO 270004a_100000182051_100000078564 [0,1,0,0,1,0|2,0,0]=4 3081 B16R1.24 CS(=O)(=O)Nc1ccc(cc1)OCCCO 34a_100000165719_100000230001 [0,1,0,0,0,1|1,0,1]=4 3082 B16R1.24 CS(=O)(=O)Nc1ccc(cc1)OCCCO 40a_100000730458_100000738038 [0,1,0,0,0,1|1,0,1]=4 3083 B16R1.25 C=CC(=O)Nc1ccc(cc1)OCCCO 22a_100000730458_100000185746 [0,1,0,0,0,1|2,0,0]=4 3084 B16R1.25 C=CC(=O)Nc1ccc(cc1)OCCCO 34a_100011235904_100000230001 [0,1,0,0,0,1|2,0,0]=4 3085 B16R1.25 CCC(=O)Nc1ccc(cc1)OCCCO 22a_100000730458_100000210414 [0,1,0,0,0,1|2,0,0]=4 3086 B16R1.25 CCC(=O)Nc1ccc(cc1)OCCCO 34a_200000243810_100000230001 [0,1,0,0,0,1|2,0,0]=4 3087 B16R1.25 CCC(=O)Nc1ccc(cc1)OCCCO 527a_100000730458_100000210414 [0,1,0,0,0,1|2,0,0]=4 3088 B16R1.25 CCC(=O)Nc1ccc(cc1)OCCCO 7a_200000243810_100011215043 [0,1,0,0,0,1|2,0,0]=4 3089 B16R1.25 CNC(=O)Cc1ccc(cc1)OCCCO 34a_200000020795_100000230001 [0,1,0,0,0,1|2,0,0]=4 3090 B16R1.25 COC(=O)Cc1ccc(cc1)OCCCO 34a_100000211648_100000230001 [0,1,0,0,0,1|1,0,1]=4 3091 B16R1.25 COC(=O)Nc1ccc(cc1)OCCCO 34a_100011235918_100000230001 [0,1,0,0,0,1|1,0,1]=4 3092 B16R1.25 NNC(=O)Cc1ccc(cc1)OCCCO 34a_100000020777_100000230001 [0,1,0,0,0,1|2,0,0]=4 3093 B16R1.25 O=C(CCl)Nc1ccc(cc1)OCCCO 34a_100000233757_100000230001 [0,1,0,0,0,1|2,0,0]=4 3094 B16R1.25 O=C(CO)Nc1ccc(cc1)OCCCO 22a_100000730458_100000210174 [0,1,0,0,0,1|1,0,1]=4 3095 B16R1.25 O=C(CO)Nc1ccc(cc1)OCCCO 527a_100000730458_100000210174 [0,1,0,0,0,1|1,0,1]=4 3096 B16R1.664 CC(=O)Cc1ccc(c(c1)Br)OCCCO 34a_100010141077_100000230001 [0,1,0,0,0,1|2,0,0]=4 3097 B16R1.664 CC(=O)Cc1ccc(c(c1)Br)OCCCO 7a_100010141077_100011215043 [0,1,0,0,0,1|2,0,0]=4 3098 B16R1.664 CC(=O)Cc1ccc(c(c1)C)OCCCO 34a_200000080089_100000230001 [0,1,0,0,0,1|2,0,0]=4 3099 B16R1.664 CC(=O)Cc1ccc(c(c1)C)OCCCO 7a_200000080089_100011215043 [0,1,0,0,0,1|2,0,0]=4 3100 B16R1.664 CC(=O)Cc1ccc(c(c1)Cl)OCCCO 34a_200000080078_100000230001 [0,1,0,0,0,1|2,0,0]=4 3101 B16R1.664 CC(=O)Cc1ccc(c(c1)Cl)OCCCO 7a_200000080078_100011215043 [0,1,0,0,0,1|2,0,0]=4 3102 B16R1.664 CC(=O)Nc1ccc(c(c1)C)OCCCO 34a_100012186693_100000230001 [0,1,0,0,0,1|2,0,0]=4 3103 B16R1.664 CC(=O)Nc1ccc(c(c1)C)OCCCO 7a_100012186693_100011215043 [0,1,0,0,0,1|2,0,0]=4 3104 B16R1.664 CC(=O)Nc1ccc(c(c1)Cl)OCCCO 34a_100011215158_100000230001 [0,1,0,0,0,1|2,0,0]=4 3105 B16R1.664 CC(=O)Nc1ccc(c(c1)Cl)OCCCO 7a_100011215158_100011215043 [0,1,0,0,0,1|2,0,0]=4 3106 B16R1.665 CC(=O)N(C)c1ccc(cc1)OCCCO 34a_100000743460_100000230001 [0,1,0,0,0,1|2,0,0]=4 3107 B16R1.1139 CC(=O)Cc1ccc(cc1)OCC(O)CO 34a_100011218180_100011219619 [0,1,0,0,0,1|2,0,0]=4 3108 B16R1.1139 CC(=O)Cc1ccc(cc1)OCC(O)CO 7a_100011218180_100011219619 [0,1,0,0,0,1|2,0,0]=4 3109 B16R1.1139 CC(=O)Cc1ccc(cc1)OC[C@@H](C)CO 34a_100011218180_100000059175 [0,1,0,0,0,1|2,0,0]=4 3110 B16R1.1139 CC(=O)Cc1ccc(cc1)OC[C@@H](C)CO 7a_100011218180_100000059175 [0,1,0,0,0,1|2,0,0]=4 3111 B16R1.1139 CC(=O)Cc1ccc(cc1)OC[C@@H](O)CO 34a_100011218180_100009815848 [0,1,0,0,0,1|2,0,0]=4 3112 B16R1.1139 CC(=O)Cc1ccc(cc1)OC[C@@H](O)CO 7a_100011218180_100009815848 [0,1,0,0,0,1|2,0,0]=4 3113 B16R1.1139 CC(=O)Nc1ccc(cc1)OCC(O)CO 34a_100000184395_100011219619 [0,1,0,0,0,1|2,0,0]=4 3114 B16R1.1139 CC(=O)Nc1ccc(cc1)OCC(O)CO 7a_100000184395_100011219619 [0,1,0,0,0,1|2,0,0]=4 3115 B16R1.1139 CC(=O)Nc1ccc(cc1)OC[C@@H](C)CO 34a_100000184395_100000059175 [0,1,0,0,0,1|2,0,0]=4 3116 B16R1.1139 CC(=O)Nc1ccc(cc1)OC[C@@H](C)CO 7a_100000184395_100000059175 [0,1,0,0,0,1|2,0,0]=4 3117 B16R1.1139 CC(=O)Nc1ccc(cc1)OC[C@@H](O)CO 34a_100000184395_100009815848 [0,1,0,0,0,1|2,0,0]=4 3118 B16R1.1139 CC(=O)Nc1ccc(cc1)OC[C@@H](O)CO 7a_100000184395_100009815848 [0,1,0,0,0,1|2,0,0]=4 3119 B16R1.1139 C[C@@H](CO)COc1ccc(cc1)CC(=O)N 34a_100000020825_100000059175 [0,1,0,0,0,1|2,0,0]=4 3120 B16R1.1139 NC(=O)Cc1ccc(cc1)OCC(O)CO 34a_100000020825_100011219619 [0,1,0,0,0,1|2,0,0]=4 3121 B16R1.1139 NC(=O)Cc1ccc(cc1)OC[C@@H](O)CO 34a_100000020825_100009815848 [0,1,0,0,0,1|2,0,0]=4 3122 B16R1.1226 CC(=O)Cc1ccc(cc1)OCCCCO 34a_100011218180_100011216708 [0,1,0,0,0,1|2,0,0]=4 3123 B16R1.1226 CC(=O)Cc1ccc(cc1)OCCCCO 7a_100011218180_100000210776 [0,1,0,0,0,1|2,0,0]=4 3124 B16R1.1226 CC(=O)Nc1ccc(cc1)COCCCO 34a_100000246270_100000230001 [0,1,0,0,0,1|2,0,0]=4 3125 B16R1.1226 CC(=O)Nc1ccc(cc1)COCCCO 7a_100000246270_100011215043 [0,1,0,0,0,1|2,0,0]=4 3126 B16R1.1226 CC(=O)Nc1ccc(cc1)OCCCCO 34a_100000184395_100011216708 [0,1,0,0,0,1|2,0,0]=4 3127 B16R1.1226 CC(=O)Nc1ccc(cc1)OCCCCO 7a_100000184395_100000210776 [0,1,0,0,0,1|2,0,0]=4 3128 B16R1.1226 COCCCOc1ccc(cc1)CC(=O)C 34a_100011218180_100000740836 [0,1,0,0,0,1|2,0,0]=4 3129 B16R1.1226 COCCCOc1ccc(cc1)CC(=O)C 7a_100011218180_100000740836 [0,1,0,0,0,1|2,0,0]=4 3130 B16R1.1226 COCCCOc1ccc(cc1)CC(=O)N 34a_100000020825_100000740836 [0,1,0,0,0,1|2,0,0]=4 3131 B16R1.1226 COCCCOc1ccc(cc1)NC(=O)C 34a_100000184395_100000740836 [0,1,0,0,0,1|2,0,0]=4 3132 B16R1.1226 COCCCOc1ccc(cc1)NC(=O)C 7a_100000184395_100000740836 [0,1,0,0,0,1|2,0,0]=4 3133 B16R1.1226 NC(=O)Cc1ccc(cc1)OCCCCO 34a_100000020825_100011216708 [0,1,0,0,0,1|2,0,0]=4 3134 B16R1.1287 CC(=O)Cc1ccc(cc1)OCCC(C)O 34a_100011218180_100012276601 [0,1,0,0,0,1|2,0,0]=4 3135 B16R1.1287 CC(=O)Cc1ccc(cc1)OCCC(C)O 7a_100011218180_100012276601 [0,1,0,0,0,1|2,0,0]=4 3136 B16R1.1287 CC(=O)Nc1ccc(cc1)OCCC(C)O 34a_100000184395_100012276601 [0,1,0,0,0,1|2,0,0]=4 3137 B16R1.1287 CC(=O)Nc1ccc(cc1)OCCC(C)O 7a_100000184395_100012276601 [0,1,0,0,0,1|2,0,0]=4 3138 B16R1.1287 CC(O)CCOc1ccc(cc1)CC(=O)N 34a_100000020825_100012276601 [0,1,0,0,0,1|2,0,0]=4 3139 B16R1.1433 CC(=O)Cc1ccc(cc1Cl)OCCCO 34a_200000084595_100000230001 [0,1,0,0,0,1|2,0,0]=4 3140 B16R1.1433 CC(=O)Cc1ccc(cc1Cl)OCCCO 7a_200000084595_100011215043 [0,1,0,0,0,1|2,0,0]=4 3141 B16R1.1529 CC(=O)Cc1ccc(cc1)OC(C)CCO 34a_100011218180_100009893172 [0,1,0,0,0,1|2,0,0]=4 3142 B16R1.1529 CC(=O)Cc1ccc(cc1)OC(C)CCO 7a_100011218180_100009893172 [0,1,0,0,0,1|2,0,0]=4 3143 B16R1.1529 CC(=O)Nc1ccc(cc1)OC(C)CCO 34a_100000184395_100009893172 [0,1,0,0,0,1|2,0,0]=4 3144 B16R1.1529 CC(=O)Nc1ccc(cc1)OC(C)CCO 7a_100000184395_100009893172 [0,1,0,0,0,1|2,0,0]=4 3145 B16R1.1529 CC(CCO)Oc1ccc(cc1)CC(=O)N 34a_100000020825_100009893172 [0,1,0,0,0,1|2,0,0]=4 3146 B16R1.26 CCCC(=O)c1ccc(cc1)OCCCO 34a_100011216482_100000230001 [0,2,0,0,0,0|2,0,0]=4 3147 B16R1.26 CCCC(=O)c1ccc(cc1)OCCCO 7a_100011216482_100011215043 [0,2,0,0,0,0|2,0,0]=4 3148 B16R1.26 CCOC(=O)c1ccc(cc1)OCCCO 34a_100000169885_100000230001 [0,2,0,0,0,0|1,0,1]=4 3149 B16R1.26 CCOC(=O)c1ccc(cc1)OCCCO 7a_100000169885_100011215043 [0,2,0,0,0,0|1,0,1]=4 3150 B16R1.26 COCC(=O)c1ccc(cc1)OCCCO 34a_200009861119_100000230001 [0,2,0,0,0,0|1,0,1]=4 3151 B16R1.26 COCC(=O)c1ccc(cc1)OCCCO 7a_200009861119_100011215043 [0,2,0,0,0,0|1,0,1]=4 3152 B16R1.26 N#CCC(=O)c1ccc(cc1)OCCCO 7a_100009871544_100011215043 [0,2,0,0,0,0|2,0,0]=4 3153 B16R1.26 O=C(CCCl)c1ccc(cc1)OCCCO 7a_100009879949_100011215043 [0,2,0,0,0,0|2,0,0]=4 3154 B16R1.1120 CC(O)CCOc1ccc(cc1)C(=O)CBr 7a_100009814261_100012276601 [0,2,0,0,0,0|2,0,0]=4 3155 B16R1.1120 CC(O)CCOc1ccc(cc1)C(=O)CCl 7a_100000018856_100012276601 [0,2,0,0,0,0|2,0,0]=4 3156 B16R1.1120 CC(O)CCOc1ccc(cc1)C(=O)CF 34a_200010654591_100012276601 [0,2,0,0,0,0|2,0,0]=4 3157 B16R1.1120 CC(O)CCOc1ccc(cc1)C(=O)CF 7a_200010654591_100012276601 [0,2,0,0,0,0|2,0,0]=4 3158 B16R1.1120 CC(O)CCOc1ccc(cc1)C(=O)NN 34a_100000185078_100012276601 [0,2,0,0,0,0|2,0,0]=4 3159 B16R1.1120 CCC(=O)c1ccc(cc1)OCCC(C)O 34a_100000212119_100012276601 [0,2,0,0,0,0|2,0,0]=4 3160 B16R1.1120 CCC(=O)c1ccc(cc1)OCCC(C)O 7a_100000212119_100012276601 [0,2,0,0,0,0|2,0,0]=4 3161 B16R1.1120 CNC(=O)c1ccc(cc1)OCCC(C)O 34a_100000192141_100012276601 [0,2,0,0,0,0|2,0,0]=4 3162 B16R1.1120 CNC(=O)c1ccc(cc1)OCCC(C)O 7a_100000192141_100012276601 [0,2,0,0,0,0|2,0,0]=4 3163 B16R1.1120 COC(=O)c1ccc(cc1)OCCC(C)O 34a_100000150123_100012276601 [0,2,0,0,0,0|1,0,1]=4 3164 B16R1.1120 COC(=O)c1ccc(cc1)OCCC(C)O 7a_100000150123_100012276601 [0,2,0,0,0,0|1,0,1]=4 3165 B16R1.1136 CCC(=O)c1ccc(cc1)OCC(O)CO 34a_100000212119_100011219619 [0,2,0,0,0,0|2,0,0]=4 3166 B16R1.1136 CCC(=O)c1ccc(cc1)OCC(O)CO 7a_100000212119_100011219619 [0,2,0,0,0,0|2,0,0]=4 3167 B16R1.1136 CCC(=O)c1ccc(cc1)OC[C@@H](C)CO 34a_100000212119_100000059175 [0,2,0,0,0,0|2,0,0]=4 3168 B16R1.1136 CCC(=O)c1ccc(cc1)OC[C@@H](C)CO 7a_100000212119_100000059175 [0,2,0,0,0,0|2,0,0]=4 3169 B16R1.1136 CCC(=O)c1ccc(cc1)OC[C@@H](O)CO 34a_100000212119_100009815848 [0,2,0,0,0,0|2,0,0]=4 3170 B16R1.1136 CCC(=O)c1ccc(cc1)OC[C@@H](O)CO 7a_100000212119_100009815848 [0,2,0,0,0,0|2,0,0]=4 3171 B16R1.1136 CNC(=O)c1ccc(cc1)OCC(O)CO 34a_100000192141_100011219619 [0,2,0,0,0,0|2,0,0]=4 3172 B16R1.1136 CNC(=O)c1ccc(cc1)OCC(O)CO 7a_100000192141_100011219619 [0,2,0,0,0,0|2,0,0]=4 3173 B16R1.1136 CNC(=O)c1ccc(cc1)OC[C@@H](C)CO 34a_100000192141_100000059175 [0,2,0,0,0,0|2,0,0]=4 3174 B16R1.1136 CNC(=O)c1ccc(cc1)OC[C@@H](C)CO 7a_100000192141_100000059175 [0,2,0,0,0,0|2,0,0]=4 3175 B16R1.1136 CNC(=O)c1ccc(cc1)OC[C@@H](O)CO 34a_100000192141_100009815848 [0,2,0,0,0,0|2,0,0]=4 3176 B16R1.1136 CNC(=O)c1ccc(cc1)OC[C@@H](O)CO 7a_100000192141_100009815848 [0,2,0,0,0,0|2,0,0]=4 3177 B16R1.1136 COC(=O)c1ccc(cc1)OCC(O)CO 34a_100000150123_100011219619 [0,2,0,0,0,0|1,0,1]=4 3178 B16R1.1136 COC(=O)c1ccc(cc1)OCC(O)CO 7a_100000150123_100011219619 [0,2,0,0,0,0|1,0,1]=4 3179 B16R1.1136 COC(=O)c1ccc(cc1)OC[C@@H](C)CO 34a_100000150123_100000059175 [0,2,0,0,0,0|1,0,1]=4 3180 B16R1.1136 COC(=O)c1ccc(cc1)OC[C@@H](C)CO 7a_100000150123_100000059175 [0,2,0,0,0,0|1,0,1]=4 3181 B16R1.1136 COC(=O)c1ccc(cc1)OC[C@@H](O)CO 34a_100000150123_100009815848 [0,2,0,0,0,0|1,0,1]=4 3182 B16R1.1136 COC(=O)c1ccc(cc1)OC[C@@H](O)CO 7a_100000150123_100009815848 [0,2,0,0,0,0|1,0,1]=4 3183 B16R1.1136 C[C@@H](CO)COc1ccc(cc1)C(=O)CBr 7a_100009814261_100000059175 [0,2,0,0,0,0|2,0,0]=4 3184 B16R1.1136 C[C@@H](CO)COc1ccc(cc1)C(=O)CCl 7a_100000018856_100000059175 [0,2,0,0,0,0|2,0,0]=4 3185 B16R1.1136 C[C@@H](CO)COc1ccc(cc1)C(=O)CF 34a_200010654591_100000059175 [0,2,0,0,0,0|2,0,0]=4 3186 B16R1.1136 C[C@@H](CO)COc1ccc(cc1)C(=O)CF 7a_200010654591_100000059175 [0,2,0,0,0,0|2,0,0]=4 3187 B16R1.1136 C[C@@H](CO)COc1ccc(cc1)C(=O)NN 34a_100000185078_100000059175 [0,2,0,0,0,0|2,0,0]=4 3188 B16R1.1136 NNC(=O)c1ccc(cc1)OCC(O)CO 34a_100000185078_100011219619 [0,2,0,0,0,0|2,0,0]=4 3189 B16R1.1136 NNC(=O)c1ccc(cc1)OC[C@@H](O)CO 34a_100000185078_100009815848 [0,2,0,0,0,0|2,0,0]=4 3190 B16R1.1136 O=C(CBr)c1ccc(cc1)OCC(O)CO 7a_100009814261_100011219619 [0,2,0,0,0,0|2,0,0]=4 3191 B16R1.1136 O=C(CBr)c1ccc(cc1)OC[C@@H](O)CO 7a_100009814261_100009815848 [0,2,0,0,0,0|2,0,0]=4 3192 B16R1.1136 O=C(CCl)c1ccc(cc1)OCC(O)CO 7a_100000018856_100011219619 [0,2,0,0,0,0|2,0,0]=4 3193 B16R1.1136 O=C(CCl)c1ccc(cc1)OC[C@@H](O)CO 7a_100000018856_100009815848 [0,2,0,0,0,0|2,0,0]=4 3194 B16R1.1136 O=C(CF)c1ccc(cc1)OCC(O)CO 34a_200010654591_100011219619 [0,2,0,0,0,0|2,0,0]=4 3195 B16R1.1136 O=C(CF)c1ccc(cc1)OCC(O)CO 7a_200010654591_100011219619 [0,2,0,0,0,0|2,0,0]=4 3196 B16R1.1136 O=C(CF)c1ccc(cc1)OC[C@@H](O)CO 34a_200010654591_100009815848 [0,2,0,0,0,0|2,0,0]=4 3197 B16R1.1136 O=C(CF)c1ccc(cc1)OC[C@@H](O)CO 7a_200010654591_100009815848 [0,2,0,0,0,0|2,0,0]=4 3198 B16R1.1223 CCC(=O)c1ccc(cc1)OCCCCO 34a_100000212119_100011216708 [0,2,0,0,0,0|2,0,0]=4 3199 B16R1.1223 CCC(=O)c1ccc(cc1)OCCCCO 7a_100000212119_100000210776 [0,2,0,0,0,0|2,0,0]=4 3200 B16R1.1223 CCC(=O)c1ccc(cc1)OCCCOC 1458a_100000684957_100000210202 [0,2,0,0,0,0|2,0,0]=4 3201 B16R1.1223 CCC(=O)c1ccc(cc1)OCCCOC 34a_100000212119_100000740836 [0,2,0,0,0,0|2,0,0]=4 3202 B16R1.1223 CCC(=O)c1ccc(cc1)OCCCOC 7a_100000212119_100000740836 [0,2,0,0,0,0|2,0,0]=4 3203 B16R1.1223 CNC(=O)c1ccc(cc1)OCCCCO 34a_100000192141_100011216708 [0,2,0,0,0,0|2,0,0]=4 3204 B16R1.1223 CNC(=O)c1ccc(cc1)OCCCCO 7a_100000192141_100000210776 [0,2,0,0,0,0|2,0,0]=4 3205 B16R1.1223 CNC(=O)c1ccc(cc1)OCCCOC 11a_106832991635_100000684957 [0,2,0,0,0,0|2,0,0]=4 3206 B16R1.1223 CNC(=O)c1ccc(cc1)OCCCOC 1626a_100102657272_100000684957 [0,2,0,0,0,0|2,0,0]=4 3207 B16R1.1223 CNC(=O)c1ccc(cc1)OCCCOC 240690a_100102657272_100000684957 [0,2,0,0,0,0|2,0,0]=4 3208 B16R1.1223 CNC(=O)c1ccc(cc1)OCCCOC 34a_100000192141_100000740836 [0,2,0,0,0,0|2,0,0]=4 3209 B16R1.1223 CNC(=O)c1ccc(cc1)OCCCOC 527a_100102657272_100000684957 [0,2,0,0,0,0|2,0,0]=4 3210 B16R1.1223 CNC(=O)c1ccc(cc1)OCCCOC 7a_100000192141_100000740836 [0,2,0,0,0,0|2,0,0]=4 3211 B16R1.1223 COC(=O)c1ccc(cc1)COCCCO 34a_100000151488_100000230001 [0,2,0,0,0,0|1,0,1]=4 3212 B16R1.1223 COC(=O)c1ccc(cc1)COCCCO 7a_100000151488_100011215043 [0,2,0,0,0,0|1,0,1]=4 3213 B16R1.1223 COC(=O)c1ccc(cc1)OCCCCO 34a_100000150123_100011216708 [0,2,0,0,0,0|1,0,1]=4 3214 B16R1.1223 COC(=O)c1ccc(cc1)OCCCCO 7a_100000150123_100000210776 [0,2,0,0,0,0|1,0,1]=4 3215 B16R1.1223 COCCCOc1ccc(cc1)C(=O)CBr 7a_100009814261_100000740836 [0,2,0,0,0,0|2,0,0]=4 3216 B16R1.1223 COCCCOc1ccc(cc1)C(=O)CCl 7a_100000018856_100000740836 [0,2,0,0,0,0|2,0,0]=4 3217 B16R1.1223 COCCCOc1ccc(cc1)C(=O)CF 1458a_100000684957_100015361967 [0,2,0,0,0,0|2,0,0]=4 3218 B16R1.1223 COCCCOc1ccc(cc1)C(=O)CF 34a_200010654591_100000740836 [0,2,0,0,0,0|2,0,0]=4 3219 B16R1.1223 COCCCOc1ccc(cc1)C(=O)CF 7a_200010654591_100000740836 [0,2,0,0,0,0|2,0,0]=4 3220 B16R1.1223 COCCCOc1ccc(cc1)C(=O)NN 34a_100000185078_100000740836 [0,2,0,0,0,0|2,0,0]=4 3221 B16R1.1223 COCCCOc1ccc(cc1)C(=O)OC 34a_100000150123_100000740836 [0,2,0,0,0,0|1,0,1]=4 3222 B16R1.1223 COCCCOc1ccc(cc1)C(=O)OC 34a_100138415774_100011310726 [0,2,0,0,0,0|1,0,1]=4 3223 B16R1.1223 COCCCOc1ccc(cc1)C(=O)OC 7a_100000150123_100000740836 [0,2,0,0,0,0|1,0,1]=4 3224 B16R1.1223 NNC(=O)c1ccc(cc1)OCCCCO 34a_100000185078_100011216708 [0,2,0,0,0,0|2,0,0]=4 3225 B16R1.1223 O=C(CBr)c1ccc(cc1)OCCCCO 7a_100009814261_100000210776 [0,2,0,0,0,0|2,0,0]=4 3226 B16R1.1223 O=C(CCl)c1ccc(cc1)OCCCCO 7a_100000018856_100000210776 [0,2,0,0,0,0|2,0,0]=4 3227 B16R1.1223 O=C(CF)c1ccc(cc1)OCCCCO 34a_200010654591_100011216708 [0,2,0,0,0,0|2,0,0]=4 3228 B16R1.1223 O=C(CF)c1ccc(cc1)OCCCCO 7a_200010654591_100000210776 [0,2,0,0,0,0|2,0,0]=4 3229 B16R1.1430 COC(=O)c1ccc(cc1Br)OCCCO 34a_100010150825_100000230001 [0,2,0,0,0,0|1,0,1]=4 3230 B16R1.1430 COC(=O)c1ccc(cc1Br)OCCCO 7a_100010150825_100011215043 [0,2,0,0,0,0|1,0,1]=4 3231 B16R1.1430 COC(=O)c1ccc(cc1C)OCCCO 34a_100012000157_100000230001 [0,2,0,0,0,0|1,0,1]=4 3232 B16R1.1430 COC(=O)c1ccc(cc1C)OCCCO 7a_100012000157_100011215043 [0,2,0,0,0,0|1,0,1]=4 3233 B16R1.1430 COC(=O)c1ccc(cc1Cl)OCCCO 34a_100000081488_100000230001 [0,2,0,0,0,0|1,0,1]=4 3234 B16R1.1430 COC(=O)c1ccc(cc1Cl)OCCCO 7a_100000081488_100011215043 [0,2,0,0,0,0|1,0,1]=4 3235 B16R1.1430 COC(=O)c1ccc(cc1F)OCCCO 34a_100011999631_100000230001 [0,2,0,0,0,0|1,0,1]=4 3236 B16R1.1430 COC(=O)c1ccc(cc1F)OCCCO 7a_100011999631_100011215043 [0,2,0,0,0,0|1,0,1]=4 3237 B16R1.1430 COC(=O)c1ccc(cc1N)OCCCO 34a_100000701581_100000230001 [0,2,0,0,0,0|1,0,1]=4 3238 B16R1.1430 COC(=O)c1ccc(cc1N)OCCCO 7a_100000701581_100011215043 [0,2,0,0,0,0|1,0,1]=4 3239 B16R1.1530 CC(CCO)Oc1ccc(cc1)C(=O)CBr 7a_100009814261_100009893172 [0,2,0,0,0,0|2,0,0]=4 3240 B16R1.1530 CC(CCO)Oc1ccc(cc1)C(=O)CCl 7a_100000018856_100009893172 [0,2,0,0,0,0|2,0,0]=4 3241 B16R1.1530 CC(CCO)Oc1ccc(cc1)C(=O)CF 34a_200010654591_100009893172 [0,2,0,0,0,0|2,0,0]=4 3242 B16R1.1530 CC(CCO)Oc1ccc(cc1)C(=O)CF 7a_200010654591_100009893172 [0,2,0,0,0,0|2,0,0]=4 3243 B16R1.1530 CC(CCO)Oc1ccc(cc1)C(=O)NN 34a_100000185078_100009893172 [0,2,0,0,0,0|2,0,0]=4 3244 B16R1.1530 CCC(=O)c1ccc(cc1)OC(C)CCO 34a_100000212119_100009893172 [0,2,0,0,0,0|2,0,0]=4 3245 B16R1.1530 CCC(=O)c1ccc(cc1)OC(C)CCO 7a_100000212119_100009893172 [0,2,0,0,0,0|2,0,0]=4 3246 B16R1.1530 CNC(=O)c1ccc(cc1)OC(C)CCO 34a_100000192141_100009893172 [0,2,0,0,0,0|2,0,0]=4 3247 B16R1.1530 CNC(=O)c1ccc(cc1)OC(C)CCO 7a_100000192141_100009893172 [0,2,0,0,0,0|2,0,0]=4 3248 B16R1.1530 COC(=O)c1ccc(cc1)OC(C)CCO 34a_100000150123_100009893172 [0,2,0,0,0,0|1,0,1]=4 3249 B16R1.1530 COC(=O)c1ccc(cc1)OC(C)CCO 7a_100000150123_100009893172 [0,2,0,0,0,0|1,0,1]=4 3250 B16R1.20533 CCC(=O)c1ccc(c(c1)Cl)OCCCO 34a_100011218862_100000230001 [0,2,0,0,0,0|2,0,0]=4 3251 B16R1.20533 CCC(=O)c1ccc(c(c1)Cl)OCCCO 7a_100011218862_100011215043 [0,2,0,0,0,0|2,0,0]=4 3252 B16R1.20533 COC(=O)c1ccc(c(c1)Br)OCCCO 34a_100000216328_100000230001 [0,2,0,0,0,0|1,0,1]=4 3253 B16R1.20533 COC(=O)c1ccc(c(c1)Br)OCCCO 7a_100000216328_100011215043 [0,2,0,0,0,0|1,0,1]=4 3254 B16R1.20533 COC(=O)c1ccc(c(c1)C)OCCCO 34a_100011997373_100000230001 [0,2,0,0,0,0|1,0,1]=4 3255 B16R1.20533 COC(=O)c1ccc(c(c1)C)OCCCO 7a_100011997373_100011215043 [0,2,0,0,0,0|1,0,1]=4 3256 B16R1.20533 COC(=O)c1ccc(c(c1)Cl)OCCCO 34a_100000151454_100000230001 [0,2,0,0,0,0|1,0,1]=4 3257 B16R1.20533 COC(=O)c1ccc(c(c1)Cl)OCCCO 7a_100000151454_100011215043 [0,2,0,0,0,0|1,0,1]=4 3258 B16R1.20533 COC(=O)c1ccc(c(c1)F)OCCCO 34a_100000075456_100000230001 [0,2,0,0,0,0|1,0,1]=4 3259 B16R1.20533 COC(=O)c1ccc(c(c1)F)OCCCO 7a_100000075456_100011215043 [0,2,0,0,0,0|1,0,1]=4 3260 B16R1.20533 COC(=O)c1ccc(c(c1)I)OCCCO 34a_100010162523_100000230001 [0,2,0,0,0,0|1,0,1]=4 3261 B16R1.20533 COC(=O)c1ccc(c(c1)I)OCCCO 7a_100010162523_100011215043 [0,2,0,0,0,0|1,0,1]=4 3262 B16R1.20533 COC(=O)c1ccc(c(c1)N)OCCCO 34a_100000724433_100000230001 [0,2,0,0,0,0|1,0,1]=4 3263 B16R1.20533 COC(=O)c1ccc(c(c1)N)OCCCO 7a_100000724433_100011215043 [0,2,0,0,0,0|1,0,1]=4 3264 B16R1.20533 NNC(=O)c1ccc(c(c1)N)OCCCO 34a_200000039609_100000230001 [0,2,0,0,0,0|2,0,0]=4 3265 B16R1.20533 O=C(CCl)c1ccc(c(c1)Cl)OCCCO 7a_200010170092_100011215043 [0,2,0,0,0,0|2,0,0]=4 3266 B16R1.668 CS(=O)(=O)c1ccc(c(c1)F)OCCCO 34a_100000069939_100000230001 [0,2,0,0,0,0|1,0,1]=4 3267 B16R1.668 CS(=O)(=O)c1ccc(c(c1)F)OCCCO 7a_100000069939_100011215043 [0,2,0,0,0,0|1,0,1]=4 3268 B16R1.668 CS(=O)(=O)c1ccc(c(c1)N)OCCCO 34a_100000186253_100000230001 [0,2,0,0,0,0|1,0,1]=4 3269 B16R1.668 CS(=O)(=O)c1ccc(c(c1)N)OCCCO 7a_100000186253_100011215043 [0,2,0,0,0,0|1,0,1]=4 3270 B16R1.668 Nc1cc(ccc1OCCCO)S(=O)(=O)N 34a_100000182321_100000230001 [0,2,0,0,0,0|1,0,1]=4 3271 B16R1.668 Nc1cc(ccc1OCCCO)S(=O)(=O)N 7a_100000182321_100011215043 [0,2,0,0,0,0|1,0,1]=4 3272 B16R1.1137 CCC(C)COc1ccc(cc1)S(=O)(=O)[O-] 7a_100000698548_100000748023 [0,2,0,0,0,0|2,0,0]=4 3273 B16R1.1137 CCC(O)COc1ccc(cc1)S(=O)(=O)[O-] 7a_100000698548_100011218378 [0,2,0,0,0,0|2,0,0]=4 3274 B16R1.1137 CC[C@H](C)COc1ccc(cc1)S(=O)(=O)[O-] 7a_100000698548_100009816398 [0,2,0,0,0,0|2,0,0]=4 3275 B16R1.1137 CS(=O)(=O)c1ccc(cc1)OCC(O)CO 34a_100000230201_100011219619 [0,2,0,0,0,0|1,0,1]=4 3276 B16R1.1137 CS(=O)(=O)c1ccc(cc1)OCC(O)CO 7a_100000230201_100011219619 [0,2,0,0,0,0|1,0,1]=4 3277 B16R1.1137 CS(=O)(=O)c1ccc(cc1)OC[C@@H](O)CO 34a_100000230201_100009815848 [0,2,0,0,0,0|1,0,1]=4 3278 B16R1.1137 CS(=O)(=O)c1ccc(cc1)OC[C@@H](O)CO 7a_100000230201_100009815848 [0,2,0,0,0,0|1,0,1]=4 3279 B16R1.1137 C[C@@H](CO)COc1ccc(cc1)S(=O)(=O)C 34a_100000230201_100000059175 [0,2,0,0,0,0|1,0,1]=4 3280 B16R1.1137 C[C@@H](CO)COc1ccc(cc1)S(=O)(=O)C 7a_100000230201_100000059175 [0,2,0,0,0,0|1,0,1]=4 3281 B16R1.1137 C[C@@H](CO)COc1ccc(cc1)S(=O)(=O)N 34a_100000738502_100000059175 [0,2,0,0,0,0|1,0,1]=4 3282 B16R1.1137 C[C@@H](CO)COc1ccc(cc1)S(=O)(=O)N 7a_100000738502_100000059175 [0,2,0,0,0,0|1,0,1]=4 3283 B16R1.1137 C[C@@H](CO)COc1ccc(cc1)S(=O)(=O)[O-] 7a_100000698548_100000059175 [0,2,0,0,0,0|1,0,0]=3 3284 B16R1.1137 NS(=O)(=O)c1ccc(cc1)OCC(O)CO 34a_100000738502_100011219619 [0,2,0,0,0,0|1,0,1]=4 3285 B16R1.1137 NS(=O)(=O)c1ccc(cc1)OCC(O)CO 7a_100000738502_100011219619 [0,2,0,0,0,0|1,0,1]=4 3286 B16R1.1137 NS(=O)(=O)c1ccc(cc1)OC[C@@H](O)CO 34a_100000738502_100009815848 [0,2,0,0,0,0|1,0,1]=4 3287 B16R1.1137 NS(=O)(=O)c1ccc(cc1)OC[C@@H](O)CO 7a_100000738502_100009815848 [0,2,0,0,0,0|1,0,1]=4 3288 B16R1.1137 O=S(=O)([O-])c1ccc(cc1)OCC(O)CO 7a_100000698548_100011219619 [0,2,0,0,0,0|1,0,0]=3 3289 B16R1.1137 O=S(=O)([O-])c1ccc(cc1)OC[C@@H](O)CF 7a_100000698548_100015614560 [0,2,0,0,0,0|2,0,0]=4 3290 B16R1.1137 O=S(=O)([O-])c1ccc(cc1)OC[C@@H](O)CO 7a_100000698548_100009815848 [0,2,0,0,0,0|1,0,0]=3 3291 B16R1.1224 C#CCCCOc1ccc(cc1)S(=O)(=O)[O-] 7a_100000698548_100011215417 [0,2,0,0,0,0|2,0,0]=4 3292 B16R1.1224 C=CCCCOc1ccc(cc1)S(=O)(=O)[O-] 7a_100000698548_100000757094 [0,2,0,0,0,0|2,0,0]=4 3293 B16R1.1224 CCCCCOc1ccc(cc1)S(=O)(=O)[O-] 7a_100000698548_100000210326 [0,2,0,0,0,0|2,0,0]=4 3294 B16R1.1224 CCOCCOc1ccc(cc1)S(=O)(=O)[O-] 7a_100000698548_100011215890 [0,2,0,0,0,0|2,0,0]=4 3295 B16R1.1224 CCSCCOc1ccc(cc1)S(=O)(=O)[O-] 7a_100000698548_100000757381 [0,2,0,0,0,0|2,0,0]=4 3296 B16R1.1224 COCCCOc1ccc(cc1)S(=O)(=O)C 34a_100000230201_100000740836 [0,2,0,0,0,0|1,0,1]=4 3297 B16R1.1224 COCCCOc1ccc(cc1)S(=O)(=O)C 7a_100000230201_100000740836 [0,2,0,0,0,0|1,0,1]=4 3298 B16R1.1224 COCCCOc1ccc(cc1)S(=O)(=O)N 34a_100000738502_100000740836 [0,2,0,0,0,0|1,0,1]=4 3299 B16R1.1224 COCCCOc1ccc(cc1)S(=O)(=O)N 7a_100000738502_100000740836 [0,2,0,0,0,0|1,0,1]=4 3300 B16R1.1224 COCCCOc1ccc(cc1)S(=O)(=O)[O-] 7a_100000698548_100000740836 [0,2,0,0,0,0|1,0,0]=3 3301 B16R1.1224 CS(=O)(=O)c1ccc(cc1)COCCCO 34a_100000728255_100000230001 [0,2,0,0,0,0|1,0,1]=4 3302 B16R1.1224 CS(=O)(=O)c1ccc(cc1)COCCCO 7a_100000728255_100011215043 [0,2,0,0,0,0|1,0,1]=4 3303 B16R1.1224 CS(=O)(=O)c1ccc(cc1)OCCCCO 34a_100000230201_100011216708 [0,2,0,0,0,0|1,0,1]=4 3304 B16R1.1224 CS(=O)(=O)c1ccc(cc1)OCCCCO 7a_100000230201_100000210776 [0,2,0,0,0,0|1,0,1]=4 3305 B16R1.1224 N#CCCCOc1ccc(cc1)S(=O)(=O)[O-] 7a_100000698548_100000687738 [0,2,0,0,0,0|2,0,0]=4 3306 B16R1.1224 NS(=O)(=O)c1ccc(cc1)COCCCO 34a_200000723721_100000230001 [0,2,0,0,0,0|1,0,1]=4 3307 B16R1.1224 NS(=O)(=O)c1ccc(cc1)OCCCCO 34a_100000738502_100011216708 [0,2,0,0,0,0|1,0,1]=4 3308 B16R1.1224 NS(=O)(=O)c1ccc(cc1)OCCCCO 7a_100000738502_100000210776 [0,2,0,0,0,0|1,0,1]=4 3309 B16R1.1224 O=CCCCOc1ccc(cc1)S(=O)(=O)[O-] 7a_100000698548_200011292268 [0,2,0,0,0,0|1,0,1]=4 3310 B16R1.1224 O=S(=O)([O-])c1ccc(cc1)CCNCCO 2230a_100016997473_100010175982 [0,2,0,0,0,0|2,0,0]=4 3311 B16R1.1224 O=S(=O)([O-])c1ccc(cc1)CCNCCO 34a_100016990907_100010175982 [0,2,0,0,0,0|2,0,0]=4 3312 B16R1.1224 O=S(=O)([O-])c1ccc(cc1)CCSCCO 62a_100000211926_100010175982 [0,2,0,0,0,0|2,0,0]=4 3313 B16R1.1224 O=S(=O)([O-])c1ccc(cc1)CCSCCO 62a_100010175982_100000211926 [0,2,0,0,0,0|2,0,0]=4 3314 B16R1.1224 O=S(=O)([O-])c1ccc(cc1)OCC#CCO 7a_100000698548_200000047223 [0,2,0,0,0,0|1,0,1]=4 3315 B16R1.1224 O=S(=O)([O-])c1ccc(cc1)OCCCCF 7a_100000698548_100000729493 [0,2,0,0,0,0|2,0,0]=4 3316 B16R1.1224 O=S(=O)([O-])c1ccc(cc1)OCCCCO 7a_100000698548_100000210776 [0,2,0,0,0,0|1,0,0]=3 3317 B16R1.1286 CC(C)CCOc1ccc(cc1)S(=O)(=O)[O-] 7a_100000698548_100000210626 [0,2,0,0,0,0|2,0,0]=4 3318 B16R1.1286 CC(O)CCOc1ccc(cc1)S(=O)(=O)C 34a_100000230201_100012276601 [0,2,0,0,0,0|1,0,1]=4 3319 B16R1.1286 CC(O)CCOc1ccc(cc1)S(=O)(=O)C 7a_100000230201_100012276601 [0,2,0,0,0,0|1,0,1]=4 3320 B16R1.1286 CC(O)CCOc1ccc(cc1)S(=O)(=O)N 34a_100000738502_100012276601 [0,2,0,0,0,0|1,0,1]=4 3321 B16R1.1286 CC(O)CCOc1ccc(cc1)S(=O)(=O)N 7a_100000738502_100012276601 [0,2,0,0,0,0|1,0,1]=4 3322 B16R1.1286 CC(O)CCOc1ccc(cc1)S(=O)(=O)[O-] 7a_100000698548_100012276601 [0,2,0,0,0,0|1,0,0]=3 3323 B16R1.1531 CC(CCO)Oc1ccc(cc1)S(=O)(=O)C 34a_100000230201_100009893172 [0,2,0,0,0,0|1,0,1]=4 3324 B16R1.1531 CC(CCO)Oc1ccc(cc1)S(=O)(=O)C 7a_100000230201_100009893172 [0,2,0,0,0,0|1,0,1]=4 3325 B16R1.1531 CC(CCO)Oc1ccc(cc1)S(=O)(=O)N 34a_100000738502_100009893172 [0,2,0,0,0,0|1,0,1]=4 3326 B16R1.1531 CC(CCO)Oc1ccc(cc1)S(=O)(=O)N 7a_100000738502_100009893172 [0,2,0,0,0,0|1,0,1]=4 3327 B16R1.1531 CC(CCO)Oc1ccc(cc1)S(=O)(=O)[O-] 7a_100000698548_100009893172 [0,2,0,0,0,0|1,0,0]=3 3328 B16R1.1531 CCCC(C)Oc1ccc(cc1)S(=O)(=O)[O-] 7a_100000698548_100000766640 [0,2,0,0,0,0|2,0,0]=4 3329 B16R1.1141 C=CC(O)COc1ccc(cc1Br)[N+](=O)[O-] 34a_100000756651_100000730141 [0,2,0,0,0,0|1,0,1]=4 3330 B16R1.1141 C=CC(O)COc1ccc(cc1Br)[N+](=O)[O-] 7a_100000756651_100000730141 [0,2,0,0,0,0|1,0,1]=4 3331 B16R1.1141 C=CC(O)COc1ccc(cc1C)[N+](=O)[O-] 34a_100000744956_100000730141 [0,2,0,0,0,0|1,0,1]=4 3332 B16R1.1141 C=CC(O)COc1ccc(cc1C)[N+](=O)[O-] 7a_100000744956_100000730141 [0,2,0,0,0,0|1,0,1]=4 3333 B16R1.1141 C=CC(O)COc1ccc(cc1Cl)[N+](=O)[O-] 34a_100000206008_100000730141 [0,2,0,0,0,0|1,0,1]=4 3334 B16R1.1141 C=CC(O)COc1ccc(cc1Cl)[N+](=O)[O-] 7a_100000206008_100000730141 [0,2,0,0,0,0|1,0,1]=4 3335 B16R1.1141 C=CC(O)COc1ccc(cc1F)[N+](=O)[O-] 34a_100000739697_100000730141 [0,2,0,0,0,0|1,0,1]=4 3336 B16R1.1141 C=CC(O)COc1ccc(cc1F)[N+](=O)[O-] 7a_100000739697_100000730141 [0,2,0,0,0,0|1,0,1]=4 3337 B16R1.1141 C=CC(O)COc1ccc(cc1I)[N+](=O)[O-] 34a_100012047213_100000730141 [0,2,0,0,0,0|1,0,1]=4 3338 B16R1.1141 C=CC(O)COc1ccc(cc1I)[N+](=O)[O-] 7a_100012047213_100000730141 [0,2,0,0,0,0|1,0,1]=4 3339 B16R1.1141 C=CC(O)COc1ccc(cc1N)[N+](=O)[O-] 34a_100000181223_100000730141 [0,2,0,0,0,0|1,0,1]=4 3340 B16R1.1141 C=CC(O)COc1ccc(cc1N)[N+](=O)[O-] 7a_100000181223_100000730141 [0,2,0,0,0,0|1,0,1]=4 3341 B16R1.1141 CC(=O)c1ccc(c(c1)Br)OCC(O)CO 34a_100011772453_100011219619 [0,2,0,0,0,0|2,0,0]=4 3342 B16R1.1141 CC(=O)c1ccc(c(c1)Br)OCC(O)CO 7a_100011772453_100011219619 [0,2,0,0,0,0|2,0,0]=4 3343 B16R1.1141 CC(=O)c1ccc(c(c1)Br)OC[C@@H](C)CO 34a_100011772453_100000059175 [0,2,0,0,0,0|2,0,0]=4 3344 B16R1.1141 CC(=O)c1ccc(c(c1)Br)OC[C@@H](C)CO 7a_100011772453_100000059175 [0,2,0,0,0,0|2,0,0]=4 3345 B16R1.1141 CC(=O)c1ccc(c(c1)Br)OC[C@@H](O)CO 34a_100011772453_100009815848 [0,2,0,0,0,0|2,0,0]=4 3346 B16R1.1141 CC(=O)c1ccc(c(c1)Br)OC[C@@H](O)CO 7a_100011772453_100009815848 [0,2,0,0,0,0|2,0,0]=4 3347 B16R1.1141 CC(=O)c1ccc(c(c1)C)OCC(O)CO 34a_100000188726_100011219619 [0,2,0,0,0,0|2,0,0]=4 3348 B16R1.1141 CC(=O)c1ccc(c(c1)C)OCC(O)CO 7a_100000188726_100011219619 [0,2,0,0,0,0|2,0,0]=4 3349 B16R1.1141 CC(=O)c1ccc(c(c1)C)OC[C@@H](C)CO 34a_100000188726_100000059175 [0,2,0,0,0,0|2,0,0]=4 3350 B16R1.1141 CC(=O)c1ccc(c(c1)C)OC[C@@H](C)CO 7a_100000188726_100000059175 [0,2,0,0,0,0|2,0,0]=4 3351 B16R1.1141 CC(=O)c1ccc(c(c1)C)OC[C@@H](O)CO 34a_100000188726_100009815848 [0,2,0,0,0,0|2,0,0]=4 3352 B16R1.1141 CC(=O)c1ccc(c(c1)C)OC[C@@H](O)CO 7a_100000188726_100009815848 [0,2,0,0,0,0|2,0,0]=4 3353 B16R1.1141 CC(=O)c1ccc(c(c1)Cl)OCC(O)CO 34a_100000188625_100011219619 [0,2,0,0,0,0|2,0,0]=4 3354 B16R1.1141 CC(=O)c1ccc(c(c1)Cl)OCC(O)CO 7a_100000188625_100011219619 [0,2,0,0,0,0|2,0,0]=4 3355 B16R1.1141 CC(=O)c1ccc(c(c1)Cl)OC[C@@H](C)CO 34a_100000188625_100000059175 [0,2,0,0,0,0|2,0,0]=4 3356 B16R1.1141 CC(=O)c1ccc(c(c1)Cl)OC[C@@H](C)CO 7a_100000188625_100000059175 [0,2,0,0,0,0|2,0,0]=4 3357 B16R1.1141 CC(=O)c1ccc(c(c1)Cl)OC[C@@H](O)CO 34a_100000188625_100009815848 [0,2,0,0,0,0|2,0,0]=4 3358 B16R1.1141 CC(=O)c1ccc(c(c1)Cl)OC[C@@H](O)CO 7a_100000188625_100009815848 [0,2,0,0,0,0|2,0,0]=4 3359 B16R1.1141 CC(=O)c1ccc(c(c1)F)OCC(O)CO 34a_100000751691_100011219619 [0,2,0,0,0,0|2,0,0]=4 3360 B16R1.1141 CC(=O)c1ccc(c(c1)F)OCC(O)CO 7a_100000751691_100011219619 [0,2,0,0,0,0|2,0,0]=4 3361 B16R1.1141 CC(=O)c1ccc(c(c1)F)OC[C@@H](C)CO 34a_100000751691_100000059175 [0,2,0,0,0,0|2,0,0]=4 3362 B16R1.1141 CC(=O)c1ccc(c(c1)F)OC[C@@H](C)CO 7a_100000751691_100000059175 [0,2,0,0,0,0|2,0,0]=4 3363 B16R1.1141 CC(=O)c1ccc(c(c1)F)OC[C@@H](O)CO 34a_100000751691_100009815848 [0,2,0,0,0,0|2,0,0]=4 3364 B16R1.1141 CC(=O)c1ccc(c(c1)F)OC[C@@H](O)CO 7a_100000751691_100009815848 [0,2,0,0,0,0|2,0,0]=4 3365 B16R1.1141 CC(=O)c1ccc(c(c1)N)OCC(O)CO 34a_100000117292_100011219619 [0,2,0,0,0,0|2,0,0]=4 3366 B16R1.1141 CC(=O)c1ccc(c(c1)N)OCC(O)CO 7a_100000117292_100011219619 [0,2,0,0,0,0|2,0,0]=4 3367 B16R1.1141 CC(=O)c1ccc(c(c1)N)OC[C@@H](C)CO 34a_100000117292_100000059175 [0,2,0,0,0,0|2,0,0]=4 3368 B16R1.1141 CC(=O)c1ccc(c(c1)N)OC[C@@H](C)CO 7a_100000117292_100000059175 [0,2,0,0,0,0|2,0,0]=4 3369 B16R1.1141 CC(=O)c1ccc(c(c1)N)OC[C@@H](O)CO 34a_100000117292_100009815848 [0,2,0,0,0,0|2,0,0]=4 3370 B16R1.1141 CC(=O)c1ccc(c(c1)N)OC[C@@H](O)CO 7a_100000117292_100009815848 [0,2,0,0,0,0|2,0,0]=4 3371 B16R1.1141 CC(CO)NCc1ccc(cc1F)[N+](=O)[O-] 34a_100016989035_100012180447 [0,2,0,0,0,0|2,0,0]=4 3372 B16R1.1141 CC(CO)OCc1ccc(cc1Cl)[N+](=O)[O-] 34a_100000694850_100012180447 [0,2,0,0,0,0|2,0,0]=4 3373 B16R1.1141 CC(CO)OCc1ccc(cc1Cl)[N+](=O)[O-] 7a_100000694850_100012180447 [0,2,0,0,0,0|2,0,0]=4 3374 B16R1.1141 CC(CO)OCc1ccc(cc1F)[N+](=O)[O-] 34a_100012002375_100012180447 [0,2,0,0,0,0|2,0,0]=4 3375 B16R1.1141 CC(CO)OCc1ccc(cc1F)[N+](=O)[O-] 7a_100012002375_100012180447 [0,2,0,0,0,0|2,0,0]=4 3376 B16R1.1141 CC(CO)OCc1ccc(cc1I)[N+](=O)[O-] 7a_200010150283_100012180447 [0,2,0,0,0,0|2,0,0]=4 3377 B16R1.1141 CC(CO)OCc1ccc(cc1N)[N+](=O)[O-] 34a_100011934201_100012180447 [0,2,0,0,0,0|2,0,0]=4 3378 B16R1.1141 CCC(=O)COc1ccc(cc1Br)[N+](=O)[O-] 7a_100000756651_100000747405 [0,2,0,0,0,0|1,0,1]=4 3379 B16R1.1141 CCC(=O)COc1ccc(cc1C)[N+](=O)[O-] 7a_100000744956_100000747405 [0,2,0,0,0,0|1,0,1]=4 3380 B16R1.1141 CCC(=O)COc1ccc(cc1Cl)[N+](=O)[O-] 1458a_100000191379_100000210202 [0,2,0,0,0,0|1,0,1]=4 3381 B16R1.1141 CCC(=O)COc1ccc(cc1Cl)[N+](=O)[O-] 7a_100000206008_100000747405 [0,2,0,0,0,0|1,0,1]=4 3382 B16R1.1141 CCC(=O)COc1ccc(cc1F)[N+](=O)[O-] 7a_100000739697_100000747405 [0,2,0,0,0,0|1,0,1]=4 3383 B16R1.1141 CCC(=O)COc1ccc(cc1I)[N+](=O)[O-] 7a_100012047213_100000747405 [0,2,0,0,0,0|1,0,1]=4 3384 B16R1.1141 CCC(=O)COc1ccc(cc1N)[N+](=O)[O-] 7a_100000181223_100000747405 [0,2,0,0,0,0|1,0,1]=4 3385 B16R1.1141 CCC(C)CNc1ccc(cc1C)[N+](=O)[O-] 2230a_100000184110_100000748023 [0,2,0,0,0,0|2,0,0]=4 3386 B16R1.1141 CCC(C)CNc1ccc(cc1C)[N+](=O)[O-] 34a_100000184110_100000748023 [0,2,0,0,0,0|2,0,0]=4 3387 B16R1.1141 CCC(C)CNc1ccc(cc1C)[N+](=O)[O-] 7a_100000184110_100000748023 [0,2,0,0,0,0|2,0,0]=4 3388 B16R1.1141 CCC(C)CNc1ccc(cc1Cl)[N+](=O)[O-] 34a_100000185723_100000748023 [0,2,0,0,0,0|2,0,0]=4 3389 B16R1.1141 CCC(C)CNc1ccc(cc1F)[N+](=O)[O-] 34a_100000745739_100000748023 [0,2,0,0,0,0|2,0,0]=4 3390 B16R1.1141 CCC(C)COc1ccc(cc1Br)[N+](=O)[O-] 34a_100000756651_100000748023 [0,2,0,0,0,0|1,0,0]=3 3391 B16R1.1141 CCC(C)COc1ccc(cc1Br)[N+](=O)[O-] 7a_100000756651_100000748023 [0,2,0,0,0,0|1,0,0]=3 3392 B16R1.1141 CCC(C)COc1ccc(cc1C)[N+](=O)[O-] 34a_100000744956_100000748023 [0,2,0,0,0,0|1,0,0]=3 3393 B16R1.1141 CCC(C)COc1ccc(cc1C)[N+](=O)[O-] 7a_100000744956_100000748023 [0,2,0,0,0,0|1,0,0]=3 3394 B16R1.1141 CCC(C)COc1ccc(cc1Cl)[N+](=O)[O-] 34a_100000206008_100000748023 [0,2,0,0,0,0|1,0,0]=3 3395 B16R1.1141 CCC(C)COc1ccc(cc1Cl)[N+](=O)[O-] 7a_100000206008_100000748023 [0,2,0,0,0,0|1,0,0]=3 3396 B16R1.1141 CCC(C)COc1ccc(cc1F)[N+](=O)[O-] 34a_100000739697_100000748023 [0,2,0,0,0,0|1,0,0]=3 3397 B16R1.1141 CCC(C)COc1ccc(cc1F)[N+](=O)[O-] 7a_100000739697_100000748023 [0,2,0,0,0,0|1,0,0]=3 3398 B16R1.1141 CCC(C)COc1ccc(cc1I)[N+](=O)[O-] 34a_100012047213_100000748023 [0,2,0,0,0,0|1,0,0]=3 3399 B16R1.1141 CCC(C)COc1ccc(cc1I)[N+](=O)[O-] 7a_100012047213_100000748023 [0,2,0,0,0,0|1,0,0]=3 3400 B16R1.1141 CCC(C)COc1ccc(cc1N)[N+](=O)[O-] 34a_100000181223_100000748023 [0,2,0,0,0,0|1,0,0]=3 3401 B16R1.1141 CCC(C)COc1ccc(cc1N)[N+](=O)[O-] 7a_100000181223_100000748023 [0,2,0,0,0,0|1,0,0]=3 3402 B16R1.1141 CCC(C)COc1ccc(nc1C)[N+](=O)[O-] 7a_100009862445_100000748023 [0,2,0,0,0,0|2,0,0]=4 3403 B16R1.1141 CCC(C)COc1cnc(cc1C)[N+](=O)[O-] 7a_100015695027_100000748023 [0,2,0,0,0,0|2,0,0]=4 3404 B16R1.1141 CCC(C)COc1ncc(cc1F)[N+](=O)[O-] 34a_100000100219_100000748023 [0,2,0,0,0,0|2,0,0]=4 3405 B16R1.1141 CCC(O)CNc1ccc(cc1C)[N+](=O)[O-] 2230a_100000184110_100011218378 [0,2,0,0,0,0|2,0,0]=4 3406 B16R1.1141 CCC(O)CNc1ccc(cc1C)[N+](=O)[O-] 34a_100000184110_100011218378 [0,2,0,0,0,0|2,0,0]=4 3407 B16R1.1141 CCC(O)CNc1ccc(cc1C)[N+](=O)[O-] 7a_100000184110_100011218378 [0,2,0,0,0,0|2,0,0]=4 3408 B16R1.1141 CCC(O)CNc1ccc(cc1Cl)[N+](=O)[O-] 34a_100000185723_100011218378 [0,2,0,0,0,0|2,0,0]=4 3409 B16R1.1141 CCC(O)CNc1ccc(cc1F)[N+](=O)[O-] 34a_100000745739_100011218378 [0,2,0,0,0,0|2,0,0]=4 3410 B16R1.1141 CCC(O)COc1ccc(cc1Br)[N+](=O)[O-] 34a_100000756651_100011218378 [0,2,0,0,0,0|1,0,0]=3 3411 B16R1.1141 CCC(O)COc1ccc(cc1Br)[N+](=O)[O-] 7a_100000756651_100011218378 [0,2,0,0,0,0|1,0,0]=3 3412 B16R1.1141 CCC(O)COc1ccc(cc1C)[N+](=O)[O-] 34a_100000744956_100011218378 [0,2,0,0,0,0|1,0,0]=3 3413 B16R1.1141 CCC(O)COc1ccc(cc1C)[N+](=O)[O-] 7a_100000744956_100011218378 [0,2,0,0,0,0|1,0,0]=3 3414 B16R1.1141 CCC(O)COc1ccc(cc1Cl)[N+](=O)[O-] 34a_100000206008_100011218378 [0,2,0,0,0,0|1,0,0]=3 3415 B16R1.1141 CCC(O)COc1ccc(cc1Cl)[N+](=O)[O-] 7a_100000206008_100011218378 [0,2,0,0,0,0|1,0,0]=3 3416 B16R1.1141 CCC(O)COc1ccc(cc1F)[N+](=O)[O-] 34a_100000739697_100011218378 [0,2,0,0,0,0|1,0,0]=3 3417 B16R1.1141 CCC(O)COc1ccc(cc1F)[N+](=O)[O-] 7a_100000739697_100011218378 [0,2,0,0,0,0|1,0,0]=3 3418 B16R1.1141 CCC(O)COc1ccc(cc1I)[N+](=O)[O-] 34a_100012047213_100011218378 [0,2,0,0,0,0|1,0,0]=3 3419 B16R1.1141 CCC(O)COc1ccc(cc1I)[N+](=O)[O-] 7a_100012047213_100011218378 [0,2,0,0,0,0|1,0,0]=3 3420 B16R1.1141 CCC(O)COc1ccc(cc1N)[N+](=O)[O-] 34a_100000181223_100011218378 [0,2,0,0,0,0|1,0,0]=3 3421 B16R1.1141 CCC(O)COc1ccc(cc1N)[N+](=O)[O-] 7a_100000181223_100011218378 [0,2,0,0,0,0|1,0,0]=3 3422 B16R1.1141 CCC(O)COc1ccc(nc1C)[N+](=O)[O-] 7a_100009862445_100011218378 [0,2,0,0,0,0|2,0,0]=4 3423 B16R1.1141 CCC(O)COc1cnc(cc1C)[N+](=O)[O-] 7a_100015695027_100011218378 [0,2,0,0,0,0|2,0,0]=4 3424 B16R1.1141 CCC(O)COc1ncc(cc1F)[N+](=O)[O-] 34a_100000100219_100011218378 [0,2,0,0,0,0|2,0,0]=4 3425 B16R1.1141 CC[C@H](C)CNc1ccc(cc1C)[N+](=O)[O-] 2230a_100000184110_100009816398 [0,2,0,0,0,0|2,0,0]=4 3426 B16R1.1141 CC[C@H](C)CNc1ccc(cc1C)[N+](=O)[O-] 34a_100000184110_100009816398 [0,2,0,0,0,0|2,0,0]=4 3427 B16R1.1141 CC[C@H](C)CNc1ccc(cc1C)[N+](=O)[O-] 7a_100000184110_100009816398 [0,2,0,0,0,0|2,0,0]=4 3428 B16R1.1141 CC[C@H](C)CNc1ccc(cc1Cl)[N+](=O)[O-] 34a_100000185723_100009816398 [0,2,0,0,0,0|2,0,0]=4 3429 B16R1.1141 CC[C@H](C)CNc1ccc(cc1F)[N+](=O)[O-] 34a_100000745739_100009816398 [0,2,0,0,0,0|2,0,0]=4 3430 B16R1.1141 CC[C@H](C)COc1ccc(cc1Br)[N+](=O)[O-] 34a_100000756651_100009816398 [0,2,0,0,0,0|1,0,0]=3 3431 B16R1.1141 CC[C@H](C)COc1ccc(cc1Br)[N+](=O)[O-] 7a_100000756651_100009816398 [0,2,0,0,0,0|1,0,0]=3 3432 B16R1.1141 CC[C@H](C)COc1ccc(cc1C)[N+](=O)[O-] 34a_100000744956_100009816398 [0,2,0,0,0,0|1,0,0]=3 3433 B16R1.1141 CC[C@H](C)COc1ccc(cc1C)[N+](=O)[O-] 7a_100000744956_100009816398 [0,2,0,0,0,0|1,0,0]=3 3434 B16R1.1141 CC[C@H](C)COc1ccc(cc1Cl)[N+](=O)[O-] 34a_100000206008_100009816398 [0,2,0,0,0,0|1,0,0]=3 3435 B16R1.1141 CC[C@H](C)COc1ccc(cc1Cl)[N+](=O)[O-] 7a_100000206008_100009816398 [0,2,0,0,0,0|1,0,0]=3 3436 B16R1.1141 CC[C@H](C)COc1ccc(cc1F)[N+](=O)[O-] 34a_100000739697_100009816398 [0,2,0,0,0,0|1,0,0]=3 3437 B16R1.1141 CC[C@H](C)COc1ccc(cc1F)[N+](=O)[O-] 7a_100000739697_100009816398 [0,2,0,0,0,0|1,0,0]=3 3438 B16R1.1141 CC[C@H](C)COc1ccc(cc1I)[N+](=O)[O-] 34a_100012047213_100009816398 [0,2,0,0,0,0|1,0,0]=3 3439 B16R1.1141 CC[C@H](C)COc1ccc(cc1I)[N+](=O)[O-] 7a_100012047213_100009816398 [0,2,0,0,0,0|1,0,0]=3 3440 B16R1.1141 CC[C@H](C)COc1ccc(cc1N)[N+](=O)[O-] 34a_100000181223_100009816398 [0,2,0,0,0,0|1,0,0]=3 3441 B16R1.1141 CC[C@H](C)COc1ccc(cc1N)[N+](=O)[O-] 7a_100000181223_100009816398 [0,2,0,0,0,0|1,0,0]=3 3442 B16R1.1141 CC[C@H](C)COc1ccc(nc1C)[N+](=O)[O-] 7a_100009862445_100009816398 [0,2,0,0,0,0|2,0,0]=4 3443 B16R1.1141 CC[C@H](C)COc1cnc(cc1C)[N+](=O)[O-] 7a_100015695027_100009816398 [0,2,0,0,0,0|2,0,0]=4 3444 B16R1.1141 CC[C@H](C)COc1ncc(cc1F)[N+](=O)[O-] 34a_100000100219_100009816398 [0,2,0,0,0,0|2,0,0]=4 3445 B16R1.1141 C[C@@H](CO)CNc1ccc(cc1Cl)[N+](=O)[O-] 34a_100000185723_100000059175 [0,2,0,0,0,0|1,0,0]=3 3446 B16R1.1141 C[C@@H](CO)CNc1ccc(cc1F)[N+](=O)[O-] 34a_100000745739_100000059175 [0,2,0,0,0,0|1,0,0]=3 3447 B16R1.1141 C[C@@H](CO)COc1ccc(cc1Br)[N+](=O)[O-] 34a_100000756651_100000059175 [0,2,0,0,0,0|0,0,0]=2 3448 B16R1.1141 C[C@@H](CO)COc1ccc(cc1Br)[N+](=O)[O-] 7a_100000756651_100000059175 [0,2,0,0,0,0|0,0,0]=2 3449 B16R1.1141 C[C@@H](CO)COc1ccc(cc1Cl)C(=O)N 34a_200000192832_100000059175 [0,2,0,0,0,0|2,0,0]=4 3450 B16R1.1141 C[C@@H](CO)COc1ccc(cc1Cl)C(=O)N 7a_200000192832_100000059175 [0,2,0,0,0,0|2,0,0]=4 3451 B16R1.1141 C[C@@H](CO)COc1ccc(cc1Cl)[N+](=O)[O-] 34a_100000206008_100000059175 [0,2,0,0,0,0|0,0,0]=2 3452 B16R1.1141 C[C@@H](CO)COc1ccc(cc1Cl)[N+](=O)[O-] 7a_100000206008_100000059175 [0,2,0,0,0,0|0,0,0]=2 3453 B16R1.1141 C[C@@H](CO)COc1ccc(cc1F)[N+](=O)[O-] 34a_100000739697_100000059175 [0,2,0,0,0,0|0,0,0]=2 3454 B16R1.1141 C[C@@H](CO)COc1ccc(cc1F)[N+](=O)[O-] 7a_100000739697_100000059175 [0,2,0,0,0,0|0,0,0]=2 3455 B16R1.1141 C[C@@H](CO)COc1ccc(cc1I)[N+](=O)[O-] 34a_100012047213_100000059175 [0,2,0,0,0,0|0,0,0]=2 3456 B16R1.1141 C[C@@H](CO)COc1ccc(cc1I)[N+](=O)[O-] 7a_100012047213_100000059175 [0,2,0,0,0,0|0,0,0]=2 3457 B16R1.1141 C[C@@H](CO)COc1ccc(cc1N)[N+](=O)[O-] 34a_100000181223_100000059175 [0,2,0,0,0,0|0,0,0]=2 3458 B16R1.1141 C[C@@H](CO)COc1ccc(cc1N)[N+](=O)[O-] 7a_100000181223_100000059175 [0,2,0,0,0,0|0,0,0]=2 3459 B16R1.1141 C[C@@H](CO)COc1ncc(cc1F)[N+](=O)[O-] 34a_100000100219_100000059175 [0,2,0,0,0,0|1,0,0]=3 3460 B16R1.1141 C[C@H](CO)NCc1ccc(cc1Br)[N+](=O)[O-] 2230a_100000737577_100000741879 [0,2,0,0,0,0|2,0,0]=4 3461 B16R1.1141 C[C@H](CO)NCc1ccc(cc1Br)[N+](=O)[O-] 270004a_100000737577_100011202981 [0,2,0,0,0,0|2,0,0]=4 3462 B16R1.1141 C[C@H](CO)NCc1ccc(cc1Cl)[N+](=O)[O-] 2230a_100000737577_100000747184 [0,2,0,0,0,0|2,0,0]=4 3463 B16R1.1141 C[C@H](CO)NCc1ccc(cc1Cl)[N+](=O)[O-] 270004a_100000737577_100000755334 [0,2,0,0,0,0|2,0,0]=4 3464 B16R1.1141 C[C@H](CO)NCc1ccc(cc1F)[N+](=O)[O-] 2230a_100000737577_100000759423 [0,2,0,0,0,0|2,0,0]=4 3465 B16R1.1141 C[C@H](CO)SCc1ccc(cc1Br)[N+](=O)[O-] 62a_100000741879_100016084084 [0,2,0,0,0,0|2,0,0]=4 3466 B16R1.1141 Cc1cc(ccc1CN[C@H](C)CO)[N+](=O)[O-] 207a_100000737577_100000695237 [0,2,0,0,0,0|2,0,0]=4 3467 B16R1.1141 Cc1cc(ccc1CN[C@H](C)CO)[N+](=O)[O-] 2230a_100000737577_100010218038 [0,2,0,0,0,0|2,0,0]=4 3468 B16R1.1141 Cc1cc(ccc1COC(C)CO)[N+](=O)[O-] 34a_100009883322_100012180447 [0,2,0,0,0,0|2,0,0]=4 3469 B16R1.1141 Cc1cc(ccc1COC(C)CO)[N+](=O)[O-] 7a_100009883322_100012180447 [0,2,0,0,0,0|2,0,0]=4 3470 B16R1.1141 Cc1cc(ccc1NCC(O)CO)[N+](=O)[O-] 2230a_100000184110_100011219619 [0,2,0,0,0,0|1,0,0]=3 3471 B16R1.1141 Cc1cc(ccc1NCC(O)CO)[N+](=O)[O-] 34a_100000184110_100011219619 [0,2,0,0,0,0|1,0,0]=3 3472 B16R1.1141 Cc1cc(ccc1NCC(O)CO)[N+](=O)[O-] 7a_100000184110_100011219619 [0,2,0,0,0,0|1,0,0]=3 3473 B16R1.1141 Cc1cc(ccc1NC[C@@H](C)CO)[N+](=O)[O-] 2230a_100000184110_100000059175 [0,2,0,0,0,0|1,0,0]=3 3474 B16R1.1141 Cc1cc(ccc1NC[C@@H](C)CO)[N+](=O)[O-] 34a_100000184110_100000059175 [0,2,0,0,0,0|1,0,0]=3 3475 B16R1.1141 Cc1cc(ccc1NC[C@@H](C)CO)[N+](=O)[O-] 7a_100000184110_100000059175 [0,2,0,0,0,0|1,0,0]=3 3476 B16R1.1141 Cc1cc(ccc1NC[C@@H](O)CF)[N+](=O)[O-] 2230a_100000184110_100015614560 [0,2,0,0,0,0|2,0,0]=4 3477 B16R1.1141 Cc1cc(ccc1NC[C@@H](O)CF)[N+](=O)[O-] 34a_100000184110_100015614560 [0,2,0,0,0,0|2,0,0]=4 3478 B16R1.1141 Cc1cc(ccc1NC[C@@H](O)CF)[N+](=O)[O-] 7a_100000184110_100015614560 [0,2,0,0,0,0|2,0,0]=4 3479 B16R1.1141 Cc1cc(ccc1NC[C@@H](O)CO)[N+](=O)[O-] 2230a_100000184110_100009815848 [0,2,0,0,0,0|1,0,0]=3 3480 B16R1.1141 Cc1cc(ccc1NC[C@@H](O)CO)[N+](=O)[O-] 34a_100000184110_100009815848 [0,2,0,0,0,0|1,0,0]=3 3481 B16R1.1141 Cc1cc(ccc1NC[C@@H](O)CO)[N+](=O)[O-] 7a_100000184110_100009815848 [0,2,0,0,0,0|1,0,0]=3 3482 B16R1.1141 Cc1cc(ccc1OCC(O)CO)[N+](=O)[O-] 34a_100000744956_100011219619 [0,2,0,0,0,0|0,0,0]=2 3483 B16R1.1141 Cc1cc(ccc1OCC(O)CO)[N+](=O)[O-] 7a_100000744956_100011219619 [0,2,0,0,0,0|0,0,0]=2 3484 B16R1.1141 Cc1cc(ccc1OC[C@@H](C)CO)[N+](=O)[O-] 34a_100000744956_100000059175 [0,2,0,0,0,0|0,0,0]=2 3485 B16R1.1141 Cc1cc(ccc1OC[C@@H](C)CO)[N+](=O)[O-] 7a_100000744956_100000059175 [0,2,0,0,0,0|0,0,0]=2 3486 B16R1.1141 Cc1cc(ccc1OC[C@@H](O)CF)[N+](=O)[O-] 34a_100000744956_100015614560 [0,2,0,0,0,0|1,0,0]=3 3487 B16R1.1141 Cc1cc(ccc1OC[C@@H](O)CF)[N+](=O)[O-] 7a_100000744956_100015614560 [0,2,0,0,0,0|1,0,0]=3 3488 B16R1.1141 Cc1cc(ccc1OC[C@@H](O)CO)[N+](=O)[O-] 34a_100000744956_100009815848 [0,2,0,0,0,0|0,0,0]=2 3489 B16R1.1141 Cc1cc(ccc1OC[C@@H](O)CO)[N+](=O)[O-] 7a_100000744956_100009815848 [0,2,0,0,0,0|0,0,0]=2 3490 B16R1.1141 Cc1cc(ncc1OCC(O)CO)[N+](=O)[O-] 7a_100015695027_100011219619 [0,2,0,0,0,0|1,0,0]=3 3491 B16R1.1141 Cc1cc(ncc1OC[C@@H](C)CO)[N+](=O)[O-] 7a_100015695027_100000059175 [0,2,0,0,0,0|1,0,0]=3 3492 B16R1.1141 Cc1cc(ncc1OC[C@@H](O)CF)[N+](=O)[O-] 7a_100015695027_100015614560 [0,2,0,0,0,0|2,0,0]=4 3493 B16R1.1141 Cc1cc(ncc1OC[C@@H](O)CO)[N+](=O)[O-] 7a_100015695027_100009815848 [0,2,0,0,0,0|1,0,0]=3 3494 B16R1.1141 Cc1nc(ccc1OCC(O)CO)[N+](=O)[O-] 7a_100009862445_100011219619 [0,2,0,0,0,0|1,0,0]=3 3495 B16R1.1141 Cc1nc(ccc1OC[C@@H](C)CO)[N+](=O)[O-] 7a_100009862445_100000059175 [0,2,0,0,0,0|1,0,0]=3 3496 B16R1.1141 Cc1nc(ccc1OC[C@@H](O)CF)[N+](=O)[O-] 7a_100009862445_100015614560 [0,2,0,0,0,0|2,0,0]=4 3497 B16R1.1141 Cc1nc(ccc1OC[C@@H](O)CO)[N+](=O)[O-] 7a_100009862445_100009815848 [0,2,0,0,0,0|1,0,0]=3 3498 B16R1.1141 NC(=O)c1ccc(c(c1)Cl)OCC(O)CO 34a_200000192832_100011219619 [0,2,0,0,0,0|2,0,0]=4 3499 B16R1.1141 NC(=O)c1ccc(c(c1)Cl)OCC(O)CO 7a_200000192832_100011219619 [0,2,0,0,0,0|2,0,0]=4 3500 B16R1.1141 NC(=O)c1ccc(c(c1)Cl)OC[C@@H](O)CO 34a_200000192832_100009815848 [0,2,0,0,0,0|2,0,0]=4 3501 B16R1.1141 NC(=O)c1ccc(c(c1)Cl)OC[C@@H](O)CO 7a_200000192832_100009815848 [0,2,0,0,0,0|2,0,0]=4 3502 B16R1.1141 Nc1cc(ccc1OCC(O)CO)[N+](=O)[O-] 34a_100000181223_100011219619 [0,2,0,0,0,0|0,0,0]=2 3503 B16R1.1141 Nc1cc(ccc1OCC(O)CO)[N+](=O)[O-] 7a_100000181223_100011219619 [0,2,0,0,0,0|0,0,0]=2 3504 B16R1.1141 Nc1cc(ccc1OC[C@@H](O)CF)[N+](=O)[O-] 34a_100000181223_100015614560 [0,2,0,0,0,0|1,0,0]=3 3505 B16R1.1141 Nc1cc(ccc1OC[C@@H](O)CF)[N+](=O)[O-] 7a_100000181223_100015614560 [0,2,0,0,0,0|1,0,0]=3 3506 B16R1.1141 Nc1cc(ccc1OC[C@@H](O)CO)[N+](=O)[O-] 34a_100000181223_100009815848 [0,2,0,0,0,0|0,0,0]=2 3507 B16R1.1141 Nc1cc(ccc1OC[C@@H](O)CO)[N+](=O)[O-] 7a_100000181223_100009815848 [0,2,0,0,0,0|0,0,0]=2 3508 B16R1.1141 O=C(CF)COc1ccc(cc1Cl)[N+](=O)[O-] 1458a_100000191379_100015361967 [0,2,0,0,0,0|1,0,1]=4 3509 B16R1.1141 O=[N+]([O-])c1ccc(c(c1)Br)OCC(O)CO 34a_100000756651_100011219619 [0,2,0,0,0,0|0,0,0]=2 3510 B16R1.1141 O=[N+]([O-])c1ccc(c(c1)Br)OCC(O)CO 7a_100000756651_100011219619 [0,2,0,0,0,0|0,0,0]=2 3511 B16R1.1141 O=[N+]([O-])c1ccc(c(c1)Br)OC[C@@H](O)CF 34a_100000756651_100015614560 [0,2,0,0,0,0|1,0,0]=3 3512 B16R1.1141 O=[N+]([O-])c1ccc(c(c1)Br)OC[C@@H](O)CF 7a_100000756651_100015614560 [0,2,0,0,0,0|1,0,0]=3 3513 B16R1.1141 O=[N+]([O-])c1ccc(c(c1)Br)OC[C@@H](O)CO 34a_100000756651_100009815848 [0,2,0,0,0,0|0,0,0]=2 3514 B16R1.1141 O=[N+]([O-])c1ccc(c(c1)Br)OC[C@@H](O)CO 7a_100000756651_100009815848 [0,2,0,0,0,0|0,0,0]=2 3515 B16R1.1141 O=[N+]([O-])c1ccc(c(c1)Cl)NCC(O)CO 34a_100000185723_100011219619 [0,2,0,0,0,0|1,0,0]=3 3516 B16R1.1141 O=[N+]([O-])c1ccc(c(c1)Cl)NC[C@@H](O)CF 34a_100000185723_100015614560 [0,2,0,0,0,0|2,0,0]=4 3517 B16R1.1141 O=[N+]([O-])c1ccc(c(c1)Cl)NC[C@@H](O)CO 34a_100000185723_100009815848 [0,2,0,0,0,0|1,0,0]=3 3518 B16R1.1141 O=[N+]([O-])c1ccc(c(c1)Cl)OCC(O)CO 34a_100000206008_100011219619 [0,2,0,0,0,0|0,0,0]=2 3519 B16R1.1141 O=[N+]([O-])c1ccc(c(c1)Cl)OCC(O)CO 7a_100000206008_100011219619 [0,2,0,0,0,0|0,0,0]=2 3520 B16R1.1141 O=[N+]([O-])c1ccc(c(c1)Cl)OC[C@@H](O)CF 34a_100000206008_100015614560 [0,2,0,0,0,0|1,0,0]=3 3521 B16R1.1141 O=[N+]([O-])c1ccc(c(c1)Cl)OC[C@@H](O)CF 7a_100000206008_100015614560 [0,2,0,0,0,0|1,0,0]=3 3522 B16R1.1141 O=[N+]([O-])c1ccc(c(c1)Cl)OC[C@@H](O)CO 34a_100000206008_100009815848 [0,2,0,0,0,0|0,0,0]=2 3523 B16R1.1141 O=[N+]([O-])c1ccc(c(c1)Cl)OC[C@@H](O)CO 7a_100000206008_100009815848 [0,2,0,0,0,0|0,0,0]=2 3524 B16R1.1141 O=[N+]([O-])c1ccc(c(c1)F)NCC(O)CO 34a_100000745739_100011219619 [0,2,0,0,0,0|1,0,0]=3 3525 B16R1.1141 O=[N+]([O-])c1ccc(c(c1)F)NC[C@@H](O)CF 34a_100000745739_100015614560 [0,2,0,0,0,0|2,0,0]=4 3526 B16R1.1141 O=[N+]([O-])c1ccc(c(c1)F)NC[C@@H](O)CO 34a_100000745739_100009815848 [0,2,0,0,0,0|1,0,0]=3 3527 B16R1.1141 O=[N+]([O-])c1ccc(c(c1)F)OCC(O)CO 34a_100000739697_100011219619 [0,2,0,0,0,0|0,0,0]=2 3528 B16R1.1141 O=[N+]([O-])c1ccc(c(c1)F)OCC(O)CO 7a_100000739697_100011219619 [0,2,0,0,0,0|0,0,0]=2 3529 B16R1.1141 O=[N+]([O-])c1ccc(c(c1)F)OC[C@@H](O)CF 34a_100000739697_100015614560 [0,2,0,0,0,0|1,0,0]=3 3530 B16R1.1141 O=[N+]([O-])c1ccc(c(c1)F)OC[C@@H](O)CF 7a_100000739697_100015614560 [0,2,0,0,0,0|1,0,0]=3 3531 B16R1.1141 O=[N+]([O-])c1ccc(c(c1)F)OC[C@@H](O)CO 34a_100000739697_100009815848 [0,2,0,0,0,0|0,0,0]=2 3532 B16R1.1141 O=[N+]([O-])c1ccc(c(c1)F)OC[C@@H](O)CO 7a_100000739697_100009815848 [0,2,0,0,0,0|0,0,0]=2 3533 B16R1.1141 O=[N+]([O-])c1ccc(c(c1)I)OCC(O)CO 34a_100012047213_100011219619 [0,2,0,0,0,0|0,0,0]=2 3534 B16R1.1141 O=[N+]([O-])c1ccc(c(c1)I)OCC(O)CO 7a_100012047213_100011219619 [0,2,0,0,0,0|0,0,0]=2 3535 B16R1.1141 O=[N+]([O-])c1ccc(c(c1)I)OC[C@@H](O)CF 34a_100012047213_100015614560 [0,2,0,0,0,0|1,0,0]=3 3536 B16R1.1141 O=[N+]([O-])c1ccc(c(c1)I)OC[C@@H](O)CF 7a_100012047213_100015614560 [0,2,0,0,0,0|1,0,0]=3 3537 B16R1.1141 O=[N+]([O-])c1ccc(c(c1)I)OC[C@@H](O)CO 34a_100012047213_100009815848 [0,2,0,0,0,0|0,0,0]=2 3538 B16R1.1141 O=[N+]([O-])c1ccc(c(c1)I)OC[C@@H](O)CO 7a_100012047213_100009815848 [0,2,0,0,0,0|0,0,0]=2 3539 B16R1.1141 O=[N+]([O-])c1cnc(c(c1)F)OCC(O)CO 34a_100000100219_100011219619 [0,2,0,0,0,0|1,0,0]=3 3540 B16R1.1141 O=[N+]([O-])c1cnc(c(c1)F)OC[C@@H](O)CF 34a_100000100219_100015614560 [0,2,0,0,0,0|2,0,0]=4 3541 B16R1.1141 O=[N+]([O-])c1cnc(c(c1)F)OC[C@@H](O)CO 34a_100000100219_100009815848 [0,2,0,0,0,0|1,0,0]=3 3542 B16R1.1229 C#CCCCNc1ccc(cc1C)[N+](=O)[O-] 2230a_100000184110_100000731252 [0,2,0,0,0,0|2,0,0]=4 3543 B16R1.1229 C#CCCCNc1ccc(cc1C)[N+](=O)[O-] 34a_100000184110_100000695029 [0,2,0,0,0,0|2,0,0]=4 3544 B16R1.1229 C#CCCCNc1ccc(cc1C)[N+](=O)[O-] 7a_100000184110_100011215417 [0,2,0,0,0,0|2,0,0]=4 3545 B16R1.1229 C#CCCCNc1ccc(cc1Cl)[N+](=O)[O-] 34a_100000185723_100000695029 [0,2,0,0,0,0|2,0,0]=4 3546 B16R1.1229 C#CCCCNc1ccc(cc1F)[N+](=O)[O-] 34a_100000745739_100000695029 [0,2,0,0,0,0|2,0,0]=4 3547 B16R1.1229 C#CCCCOc1ccc(cc1Br)[N+](=O)[O-] 34a_100000756651_100000695029 [0,2,0,0,0,0|1,0,0]=3 3548 B16R1.1229 C#CCCCOc1ccc(cc1Br)[N+](=O)[O-] 7a_100000756651_100011215417 [0,2,0,0,0,0|1,0,0]=3 3549 B16R1.1229 C#CCCCOc1ccc(cc1C)[N+](=O)[O-] 34a_100000744956_100000695029 [0,2,0,0,0,0|1,0,0]=3 3550 B16R1.1229 C#CCCCOc1ccc(cc1C)[N+](=O)[O-] 7a_100000744956_100011215417 [0,2,0,0,0,0|1,0,0]=3 3551 B16R1.1229 C#CCCCOc1ccc(cc1Cl)[N+](=O)[O-] 34a_100000206008_100000695029 [0,2,0,0,0,0|1,0,0]=3 3552 B16R1.1229 C#CCCCOc1ccc(cc1Cl)[N+](=O)[O-] 7a_100000206008_100011215417 [0,2,0,0,0,0|1,0,0]=3 3553 B16R1.1229 C#CCCCOc1ccc(cc1F)[N+](=O)[O-] 34a_100000739697_100000695029 [0,2,0,0,0,0|1,0,0]=3 3554 B16R1.1229 C#CCCCOc1ccc(cc1F)[N+](=O)[O-] 7a_100000739697_100011215417 [0,2,0,0,0,0|1,0,0]=3 3555 B16R1.1229 C#CCCCOc1ccc(cc1I)[N+](=O)[O-] 34a_100012047213_100000695029 [0,2,0,0,0,0|1,0,0]=3 3556 B16R1.1229 C#CCCCOc1ccc(cc1I)[N+](=O)[O-] 7a_100012047213_100011215417 [0,2,0,0,0,0|1,0,0]=3 3557 B16R1.1229 C#CCCCOc1ccc(cc1N)[N+](=O)[O-] 34a_100000181223_100000695029 [0,2,0,0,0,0|1,0,0]=3 3558 B16R1.1229 C#CCCCOc1ccc(cc1N)[N+](=O)[O-] 7a_100000181223_100011215417 [0,2,0,0,0,0|1,0,0]=3 3559 B16R1.1229 C#CCCCOc1ccc(nc1C)[N+](=O)[O-] 7a_100009862445_100011215417 [0,2,0,0,0,0|2,0,0]=4 3560 B16R1.1229 C#CCCCOc1cnc(cc1C)[N+](=O)[O-] 7a_100015695027_100011215417 [0,2,0,0,0,0|2,0,0]=4 3561 B16R1.1229 C#CCCCOc1ncc(cc1F)[N+](=O)[O-] 34a_100000100219_100000695029 [0,2,0,0,0,0|2,0,0]=4 3562 B16R1.1229 C#CCCOCc1ccc(cc1Br)[N+](=O)[O-] 34a_100011215631_100000741879 [0,2,0,0,0,0|1,0,1]=4 3563 B16R1.1229 C#CCCOCc1ccc(cc1C)[N+](=O)[O-] 34a_100009883322_100000688953 [0,2,0,0,0,0|1,0,1]=4 3564 B16R1.1229 C#CCCOCc1ccc(cc1C)[N+](=O)[O-] 34a_100011215631_100010218038 [0,2,0,0,0,0|1,0,1]=4 3565 B16R1.1229 C#CCCOCc1ccc(cc1C)[N+](=O)[O-] 7a_100009883322_100000688953 [0,2,0,0,0,0|1,0,1]=4 3566 B16R1.1229 C#CCCOCc1ccc(cc1Cl)[N+](=O)[O-] 34a_100000694850_100000688953 [0,2,0,0,0,0|1,0,1]=4 3567 B16R1.1229 C#CCCOCc1ccc(cc1Cl)[N+](=O)[O-] 34a_100011215631_100000747184 [0,2,0,0,0,0|1,0,1]=4 3568 B16R1.1229 C#CCCOCc1ccc(cc1Cl)[N+](=O)[O-] 7a_100000694850_100000688953 [0,2,0,0,0,0|1,0,1]=4 3569 B16R1.1229 C#CCCOCc1ccc(cc1F)[N+](=O)[O-] 34a_100011215631_100000759423 [0,2,0,0,0,0|1,0,1]=4 3570 B16R1.1229 C#CCCOCc1ccc(cc1F)[N+](=O)[O-] 34a_100012002375_100000688953 [0,2,0,0,0,0|1,0,1]=4 3571 B16R1.1229 C#CCCOCc1ccc(cc1F)[N+](=O)[O-] 7a_100012002375_100000688953 [0,2,0,0,0,0|1,0,1]=4 3572 B16R1.1229 C#CCCOCc1ccc(cc1I)[N+](=O)[O-] 7a_200010150283_100000688953 [0,2,0,0,0,0|1,0,1]=4 3573 B16R1.1229 C#CCCOCc1ccc(cc1N)[N+](=O)[O-] 34a_100011934201_100000688953 [0,2,0,0,0,0|1,0,1]=4 3574 B16R1.1229 C=CCCCNc1ccc(cc1C)[N+](=O)[O-] 2230a_100000184110_100011713584 [0,2,0,0,0,0|2,0,0]=4 3575 B16R1.1229 C=CCCCNc1ccc(cc1C)[N+](=O)[O-] 34a_100000184110_100000757094 [0,2,0,0,0,0|2,0,0]=4 3576 B16R1.1229 C=CCCCNc1ccc(cc1C)[N+](=O)[O-] 7a_100000184110_100000757094 [0,2,0,0,0,0|2,0,0]=4 3577 B16R1.1229 C=CCCCNc1ccc(cc1Cl)[N+](=O)[O-] 34a_100000185723_100000757094 [0,2,0,0,0,0|2,0,0]=4 3578 B16R1.1229 C=CCCCNc1ccc(cc1F)[N+](=O)[O-] 34a_100000745739_100000757094 [0,2,0,0,0,0|2,0,0]=4 3579 B16R1.1229 C=CCCCOc1ccc(cc1Br)[N+](=O)[O-] 34a_100000756651_100000757094 [0,2,0,0,0,0|1,0,0]=3 3580 B16R1.1229 C=CCCCOc1ccc(cc1Br)[N+](=O)[O-] 7a_100000756651_100000757094 [0,2,0,0,0,0|1,0,0]=3 3581 B16R1.1229 C=CCCCOc1ccc(cc1C)[N+](=O)[O-] 34a_100000744956_100000757094 [0,2,0,0,0,0|1,0,0]=3 3582 B16R1.1229 C=CCCCOc1ccc(cc1C)[N+](=O)[O-] 7a_100000744956_100000757094 [0,2,0,0,0,0|1,0,0]=3 3583 B16R1.1229 C=CCCCOc1ccc(cc1Cl)[N+](=O)[O-] 34a_100000206008_100000757094 [0,2,0,0,0,0|1,0,0]=3 3584 B16R1.1229 C=CCCCOc1ccc(cc1Cl)[N+](=O)[O-] 7a_100000206008_100000757094 [0,2,0,0,0,0|1,0,0]=3 3585 B16R1.1229 C=CCCCOc1ccc(cc1F)[N+](=O)[O-] 34a_100000739697_100000757094 [0,2,0,0,0,0|1,0,0]=3 3586 B16R1.1229 C=CCCCOc1ccc(cc1F)[N+](=O)[O-] 7a_100000739697_100000757094 [0,2,0,0,0,0|1,0,0]=3 3587 B16R1.1229 C=CCCCOc1ccc(cc1I)[N+](=O)[O-] 34a_100012047213_100000757094 [0,2,0,0,0,0|1,0,0]=3 3588 B16R1.1229 C=CCCCOc1ccc(cc1I)[N+](=O)[O-] 7a_100012047213_100000757094 [0,2,0,0,0,0|1,0,0]=3 3589 B16R1.1229 C=CCCCOc1ccc(cc1N)[N+](=O)[O-] 34a_100000181223_100000757094 [0,2,0,0,0,0|1,0,0]=3 3590 B16R1.1229 C=CCCCOc1ccc(cc1N)[N+](=O)[O-] 7a_100000181223_100000757094 [0,2,0,0,0,0|1,0,0]=3 3591 B16R1.1229 C=CCCCOc1ccc(nc1C)[N+](=O)[O-] 7a_100009862445_100000757094 [0,2,0,0,0,0|2,0,0]=4 3592 B16R1.1229 C=CCCCOc1cnc(cc1C)[N+](=O)[O-] 7a_100015695027_100000757094 [0,2,0,0,0,0|2,0,0]=4 3593 B16R1.1229 C=CCCCOc1ncc(cc1F)[N+](=O)[O-] 34a_100000100219_100000757094 [0,2,0,0,0,0|2,0,0]=4 3594 B16R1.1229 C=CCCOCc1ccc(cc1Br)[N+](=O)[O-] 34a_100011205117_100000741879 [0,2,0,0,0,0|1,0,1]=4 3595 B16R1.1229 C=CCCOCc1ccc(cc1C)[N+](=O)[O-] 34a_100009883322_100000754431 [0,2,0,0,0,0|1,0,1]=4 3596 B16R1.1229 C=CCCOCc1ccc(cc1C)[N+](=O)[O-] 34a_100011205117_100010218038 [0,2,0,0,0,0|1,0,1]=4 3597 B16R1.1229 C=CCCOCc1ccc(cc1C)[N+](=O)[O-] 7a_100009883322_100000754431 [0,2,0,0,0,0|1,0,1]=4 3598 B16R1.1229 C=CCCOCc1ccc(cc1Cl)[N+](=O)[O-] 34a_100000694850_100000754431 [0,2,0,0,0,0|1,0,1]=4 3599 B16R1.1229 C=CCCOCc1ccc(cc1Cl)[N+](=O)[O-] 34a_100011205117_100000747184 [0,2,0,0,0,0|1,0,1]=4 3600 B16R1.1229 C=CCCOCc1ccc(cc1Cl)[N+](=O)[O-] 7a_100000694850_100000754431 [0,2,0,0,0,0|1,0,1]=4 3601 B16R1.1229 C=CCCOCc1ccc(cc1F)[N+](=O)[O-] 34a_100011205117_100000759423 [0,2,0,0,0,0|1,0,1]=4 3602 B16R1.1229 C=CCCOCc1ccc(cc1F)[N+](=O)[O-] 34a_100012002375_100000754431 [0,2,0,0,0,0|1,0,1]=4 3603 B16R1.1229 C=CCCOCc1ccc(cc1F)[N+](=O)[O-] 7a_100012002375_100000754431 [0,2,0,0,0,0|1,0,1]=4 3604 B16R1.1229 C=CCCOCc1ccc(cc1I)[N+](=O)[O-] 7a_200010150283_100000754431 [0,2,0,0,0,0|1,0,1]=4 3605 B16R1.1229 C=CCCOCc1ccc(cc1N)[N+](=O)[O-] 34a_100011934201_100000754431 [0,2,0,0,0,0|1,0,1]=4 3606 B16R1.1229 C=COCCOc1ccc(cc1Br)[N+](=O)[O-] 34a_100000756651_100000039644 [0,2,0,0,0,0|1,0,1]=4 3607 B16R1.1229 C=COCCOc1ccc(cc1Br)[N+](=O)[O-] 7a_100000756651_100000039644 [0,2,0,0,0,0|1,0,1]=4 3608 B16R1.1229 C=COCCOc1ccc(cc1C)[N+](=O)[O-] 34a_100000744956_100000039644 [0,2,0,0,0,0|1,0,1]=4 3609 B16R1.1229 C=COCCOc1ccc(cc1C)[N+](=O)[O-] 7a_100000744956_100000039644 [0,2,0,0,0,0|1,0,1]=4 3610 B16R1.1229 C=COCCOc1ccc(cc1Cl)[N+](=O)[O-] 34a_100000206008_100000039644 [0,2,0,0,0,0|1,0,1]=4 3611 B16R1.1229 C=COCCOc1ccc(cc1Cl)[N+](=O)[O-] 7a_100000206008_100000039644 [0,2,0,0,0,0|1,0,1]=4 3612 B16R1.1229 C=COCCOc1ccc(cc1F)[N+](=O)[O-] 34a_100000739697_100000039644 [0,2,0,0,0,0|1,0,1]=4 3613 B16R1.1229 C=COCCOc1ccc(cc1F)[N+](=O)[O-] 7a_100000739697_100000039644 [0,2,0,0,0,0|1,0,1]=4 3614 B16R1.1229 C=COCCOc1ccc(cc1I)[N+](=O)[O-] 34a_100012047213_100000039644 [0,2,0,0,0,0|1,0,1]=4 3615 B16R1.1229 C=COCCOc1ccc(cc1I)[N+](=O)[O-] 7a_100012047213_100000039644 [0,2,0,0,0,0|1,0,1]=4 3616 B16R1.1229 C=COCCOc1ccc(cc1N)[N+](=O)[O-] 34a_100000181223_100000039644 [0,2,0,0,0,0|1,0,1]=4 3617 B16R1.1229 C=COCCOc1ccc(cc1N)[N+](=O)[O-] 7a_100000181223_100000039644 [0,2,0,0,0,0|1,0,1]=4 3618 B16R1.1229 CC(=O)c1ccc(c(c1)Br)OCCCCO 34a_100011772453_100011216708 [0,2,0,0,0,0|2,0,0]=4 3619 B16R1.1229 CC(=O)c1ccc(c(c1)Br)OCCCCO 7a_100011772453_100000210776 [0,2,0,0,0,0|2,0,0]=4 3620 B16R1.1229 CC(=O)c1ccc(c(c1)C)OCCCCO 34a_100000188726_100011216708 [0,2,0,0,0,0|2,0,0]=4 3621 B16R1.1229 CC(=O)c1ccc(c(c1)C)OCCCCO 7a_100000188726_100000210776 [0,2,0,0,0,0|2,0,0]=4 3622 B16R1.1229 CC(=O)c1ccc(c(c1)Cl)OCCCCO 34a_100000188625_100011216708 [0,2,0,0,0,0|2,0,0]=4 3623 B16R1.1229 CC(=O)c1ccc(c(c1)Cl)OCCCCO 7a_100000188625_100000210776 [0,2,0,0,0,0|2,0,0]=4 3624 B16R1.1229 CC(=O)c1ccc(c(c1)F)OCCCCO 34a_100000751691_100011216708 [0,2,0,0,0,0|2,0,0]=4 3625 B16R1.1229 CC(=O)c1ccc(c(c1)F)OCCCCO 7a_100000751691_100000210776 [0,2,0,0,0,0|2,0,0]=4 3626 B16R1.1229 CC(=O)c1ccc(c(c1)N)OCCCCO 34a_100000117292_100011216708 [0,2,0,0,0,0|2,0,0]=4 3627 B16R1.1229 CC(=O)c1ccc(c(c1)N)OCCCCO 7a_100000117292_100000210776 [0,2,0,0,0,0|2,0,0]=4 3628 B16R1.1229 CC/C=C\COc1ccc(cc1Br)[N+](=O)[O-] 34a_100000756651_100103147603 [0,2,0,0,0,0|1,0,1]=4 3629 B16R1.1229 CC/C=C\COc1ccc(cc1Br)[N+](=O)[O-] 7a_100000756651_100103147603 [0,2,0,0,0,0|1,0,1]=4 3630 B16R1.1229 CC/C=C\COc1ccc(cc1C)[N+](=O)[O-] 34a_100000744956_100103147603 [0,2,0,0,0,0|1,0,1]=4 3631 B16R1.1229 CC/C=C\COc1ccc(cc1C)[N+](=O)[O-] 7a_100000744956_100103147603 [0,2,0,0,0,0|1,0,1]=4 3632 B16R1.1229 CC/C=C\COc1ccc(cc1Cl)[N+](=O)[O-] 34a_100000206008_100103147603 [0,2,0,0,0,0|1,0,1]=4 3633 B16R1.1229 CC/C=C\COc1ccc(cc1Cl)[N+](=O)[O-] 7a_100000206008_100103147603 [0,2,0,0,0,0|1,0,1]=4 3634 B16R1.1229 CC/C=C\COc1ccc(cc1F)[N+](=O)[O-] 34a_100000739697_100103147603 [0,2,0,0,0,0|1,0,1]=4 3635 B16R1.1229 CC/C=C\COc1ccc(cc1F)[N+](=O)[O-] 7a_100000739697_100103147603 [0,2,0,0,0,0|1,0,1]=4 3636 B16R1.1229 CC/C=C\COc1ccc(cc1I)[N+](=O)[O-] 34a_100012047213_100103147603 [0,2,0,0,0,0|1,0,1]=4 3637 B16R1.1229 CC/C=C\COc1ccc(cc1I)[N+](=O)[O-] 7a_100012047213_100103147603 [0,2,0,0,0,0|1,0,1]=4 3638 B16R1.1229 CC/C=C\COc1ccc(cc1N)[N+](=O)[O-] 34a_100000181223_100103147603 [0,2,0,0,0,0|1,0,1]=4 3639 B16R1.1229 CC/C=C\COc1ccc(cc1N)[N+](=O)[O-] 7a_100000181223_100103147603 [0,2,0,0,0,0|1,0,1]=4 3640 B16R1.1229 CCC#CCOc1ccc(cc1Br)[N+](=O)[O-] 34a_100000756651_100009813939 [0,2,0,0,0,0|1,0,1]=4 3641 B16R1.1229 CCC#CCOc1ccc(cc1Br)[N+](=O)[O-] 7a_100000756651_100009813939 [0,2,0,0,0,0|1,0,1]=4 3642 B16R1.1229 CCC#CCOc1ccc(cc1C)[N+](=O)[O-] 34a_100000744956_100009813939 [0,2,0,0,0,0|1,0,1]=4 3643 B16R1.1229 CCC#CCOc1ccc(cc1C)[N+](=O)[O-] 7a_100000744956_100009813939 [0,2,0,0,0,0|1,0,1]=4 3644 B16R1.1229 CCC#CCOc1ccc(cc1Cl)[N+](=O)[O-] 34a_100000206008_100009813939 [0,2,0,0,0,0|1,0,1]=4 3645 B16R1.1229 CCC#CCOc1ccc(cc1Cl)[N+](=O)[O-] 7a_100000206008_100009813939 [0,2,0,0,0,0|1,0,1]=4 3646 B16R1.1229 CCC#CCOc1ccc(cc1F)[N+](=O)[O-] 34a_100000739697_100009813939 [0,2,0,0,0,0|1,0,1]=4 3647 B16R1.1229 CCC#CCOc1ccc(cc1F)[N+](=O)[O-] 7a_100000739697_100009813939 [0,2,0,0,0,0|1,0,1]=4 3648 B16R1.1229 CCC#CCOc1ccc(cc1I)[N+](=O)[O-] 34a_100012047213_100009813939 [0,2,0,0,0,0|1,0,1]=4 3649 B16R1.1229 CCC#CCOc1ccc(cc1I)[N+](=O)[O-] 7a_100012047213_100009813939 [0,2,0,0,0,0|1,0,1]=4 3650 B16R1.1229 CCC#CCOc1ccc(cc1N)[N+](=O)[O-] 34a_100000181223_100009813939 [0,2,0,0,0,0|1,0,1]=4 3651 B16R1.1229 CCC#CCOc1ccc(cc1N)[N+](=O)[O-] 7a_100000181223_100009813939 [0,2,0,0,0,0|1,0,1]=4 3652 B16R1.1229 CCCCCNc1ccc(cc1C)[N+](=O)[O-] 2230a_100000184110_100000210326 [0,2,0,0,0,0|2,0,0]=4 3653 B16R1.1229 CCCCCNc1ccc(cc1C)[N+](=O)[O-] 34a_100000184110_100000718602 [0,2,0,0,0,0|2,0,0]=4 3654 B16R1.1229 CCCCCNc1ccc(cc1C)[N+](=O)[O-] 7a_100000184110_100000210326 [0,2,0,0,0,0|2,0,0]=4 3655 B16R1.1229 CCCCCNc1ccc(cc1Cl)[N+](=O)[O-] 34a_100000185723_100000718602 [0,2,0,0,0,0|2,0,0]=4 3656 B16R1.1229 CCCCCNc1ccc(cc1F)[N+](=O)[O-] 34a_100000745739_100000718602 [0,2,0,0,0,0|2,0,0]=4 3657 B16R1.1229 CCCCCOc1ccc(cc1Br)[N+](=O)[O-] 34a_100000756651_100000718602 [0,2,0,0,0,0|1,0,0]=3 3658 B16R1.1229 CCCCCOc1ccc(cc1Br)[N+](=O)[O-] 7a_100000756651_100000210326 [0,2,0,0,0,0|1,0,0]=3 3659 B16R1.1229 CCCCCOc1ccc(cc1C)[N+](=O)[O-] 34a_100000744956_100000718602 [0,2,0,0,0,0|1,0,0]=3 3660 B16R1.1229 CCCCCOc1ccc(cc1C)[N+](=O)[O-] 7a_100000744956_100000210326 [0,2,0,0,0,0|1,0,0]=3 3661 B16R1.1229 CCCCCOc1ccc(cc1Cl)[N+](=O)[O-] 34a_100000206008_100000718602 [0,2,0,0,0,0|1,0,0]=3 3662 B16R1.1229 CCCCCOc1ccc(cc1Cl)[N+](=O)[O-] 7a_100000206008_100000210326 [0,2,0,0,0,0|1,0,0]=3 3663 B16R1.1229 CCCCCOc1ccc(cc1F)[N+](=O)[O-] 34a_100000739697_100000718602 [0,2,0,0,0,0|1,0,0]=3 3664 B16R1.1229 CCCCCOc1ccc(cc1F)[N+](=O)[O-] 7a_100000739697_100000210326 [0,2,0,0,0,0|1,0,0]=3 3665 B16R1.1229 CCCCCOc1ccc(cc1I)[N+](=O)[O-] 34a_100012047213_100000718602 [0,2,0,0,0,0|1,0,0]=3 3666 B16R1.1229 CCCCCOc1ccc(cc1I)[N+](=O)[O-] 7a_100012047213_100000210326 [0,2,0,0,0,0|1,0,0]=3 3667 B16R1.1229 CCCCCOc1ccc(cc1N)[N+](=O)[O-] 34a_100000181223_100000718602 [0,2,0,0,0,0|1,0,0]=3 3668 B16R1.1229 CCCCCOc1ccc(cc1N)[N+](=O)[O-] 7a_100000181223_100000210326 [0,2,0,0,0,0|1,0,0]=3 3669 B16R1.1229 CCCCCOc1ccc(nc1C)[N+](=O)[O-] 7a_100009862445_100000210326 [0,2,0,0,0,0|2,0,0]=4 3670 B16R1.1229 CCCCCOc1cnc(cc1C)[N+](=O)[O-] 7a_100015695027_100000210326 [0,2,0,0,0,0|2,0,0]=4 3671 B16R1.1229 CCCCCOc1ncc(cc1F)[N+](=O)[O-] 34a_100000100219_100000718602 [0,2,0,0,0,0|2,0,0]=4 3672 B16R1.1229 CCCCNCc1ccc(cc1Br)[N+](=O)[O-] 2230a_100000102301_100000741879 [0,2,0,0,0,0|2,0,0]=4 3673 B16R1.1229 CCCCNCc1ccc(cc1Br)[N+](=O)[O-] 270004a_100000102301_100011202981 [0,2,0,0,0,0|2,0,0]=4 3674 B16R1.1229 CCCCNCc1ccc(cc1Br)[N+](=O)[O-] 7a_106832991798_100000741879 [0,2,0,0,0,0|2,0,0]=4 3675 B16R1.1229 CCCCNCc1ccc(cc1C)[N+](=O)[O-] 207a_100000102301_100000695237 [0,2,0,0,0,0|2,0,0]=4 3676 B16R1.1229 CCCCNCc1ccc(cc1C)[N+](=O)[O-] 2230a_100000102301_100010218038 [0,2,0,0,0,0|2,0,0]=4 3677 B16R1.1229 CCCCNCc1ccc(cc1C)[N+](=O)[O-] 7a_106832991798_100010218038 [0,2,0,0,0,0|2,0,0]=4 3678 B16R1.1229 CCCCNCc1ccc(cc1Cl)[N+](=O)[O-] 2230a_100000102301_100000747184 [0,2,0,0,0,0|2,0,0]=4 3679 B16R1.1229 CCCCNCc1ccc(cc1Cl)[N+](=O)[O-] 270004a_100000102301_100000755334 [0,2,0,0,0,0|2,0,0]=4 3680 B16R1.1229 CCCCNCc1ccc(cc1Cl)[N+](=O)[O-] 7a_106832991798_100000747184 [0,2,0,0,0,0|2,0,0]=4 3681 B16R1.1229 CCCCNCc1ccc(cc1F)[N+](=O)[O-] 2230a_100000102301_100000759423 [0,2,0,0,0,0|2,0,0]=4 3682 B16R1.1229 CCCCNCc1ccc(cc1F)[N+](=O)[O-] 34a_100016989035_100000210210 [0,2,0,0,0,0|2,0,0]=4 3683 B16R1.1229 CCCCNCc1ccc(cc1F)[N+](=O)[O-] 7a_106832991798_100000759423 [0,2,0,0,0,0|2,0,0]=4 3684 B16R1.1229 CCCCOCc1ccc(cc1Br)[N+](=O)[O-] 34a_100000210227_100000741879 [0,2,0,0,0,0|1,0,0]=3 3685 B16R1.1229 CCCCOCc1ccc(cc1Br)[N+](=O)[O-] 7a_100000210227_100000741879 [0,2,0,0,0,0|1,0,0]=3 3686 B16R1.1229 CCCCOCc1ccc(cc1C)[N+](=O)[O-] 34a_100000210227_100010218038 [0,2,0,0,0,0|1,0,0]=3 3687 B16R1.1229 CCCCOCc1ccc(cc1C)[N+](=O)[O-] 34a_100009883322_100000210210 [0,2,0,0,0,0|1,0,0]=3 3688 B16R1.1229 CCCCOCc1ccc(cc1C)[N+](=O)[O-] 7a_100000210227_100010218038 [0,2,0,0,0,0|1,0,0]=3 3689 B16R1.1229 CCCCOCc1ccc(cc1C)[N+](=O)[O-] 7a_100009883322_100000210211 [0,2,0,0,0,0|1,0,0]=3 3690 B16R1.1229 CCCCOCc1ccc(cc1Cl)[N+](=O)[O-] 34a_100000210227_100000747184 [0,2,0,0,0,0|1,0,0]=3 3691 B16R1.1229 CCCCOCc1ccc(cc1Cl)[N+](=O)[O-] 34a_100000694850_100000210210 [0,2,0,0,0,0|1,0,0]=3 3692 B16R1.1229 CCCCOCc1ccc(cc1Cl)[N+](=O)[O-] 7a_100000210227_100000747184 [0,2,0,0,0,0|1,0,0]=3 3693 B16R1.1229 CCCCOCc1ccc(cc1Cl)[N+](=O)[O-] 7a_100000694850_100000210211 [0,2,0,0,0,0|1,0,0]=3 3694 B16R1.1229 CCCCOCc1ccc(cc1F)[N+](=O)[O-] 34a_100000210227_100000759423 [0,2,0,0,0,0|1,0,0]=3 3695 B16R1.1229 CCCCOCc1ccc(cc1F)[N+](=O)[O-] 34a_100012002375_100000210210 [0,2,0,0,0,0|1,0,0]=3 3696 B16R1.1229 CCCCOCc1ccc(cc1F)[N+](=O)[O-] 7a_100000210227_100000759423 [0,2,0,0,0,0|1,0,0]=3 3697 B16R1.1229 CCCCOCc1ccc(cc1F)[N+](=O)[O-] 7a_100012002375_100000210211 [0,2,0,0,0,0|1,0,0]=3 3698 B16R1.1229 CCCCOCc1ccc(cc1I)[N+](=O)[O-] 7a_200010150283_100000210211 [0,2,0,0,0,0|1,0,0]=3 3699 B16R1.1229 CCCCOCc1ccc(cc1N)[N+](=O)[O-] 34a_100011934201_100000210210 [0,2,0,0,0,0|1,0,0]=3 3700 B16R1.1229 CCCCSCc1ccc(cc1Br)[N+](=O)[O-] 62a_100000741879_100000210210 [0,2,0,0,0,0|1,1,0]=4 3701 B16R1.1229 CCOCCNc1ccc(cc1C)[N+](=O)[O-] 2230a_100000184110_100011215890 [0,2,0,0,0,0|2,0,0]=4 3702 B16R1.1229 CCOCCNc1ccc(cc1C)[N+](=O)[O-] 34a_100000184110_100000210147 [0,2,0,0,0,0|2,0,0]=4 3703 B16R1.1229 CCOCCNc1ccc(cc1C)[N+](=O)[O-] 7a_100000184110_100011215890 [0,2,0,0,0,0|2,0,0]=4 3704 B16R1.1229 CCOCCNc1ccc(cc1Cl)[N+](=O)[O-] 34a_100000185723_100000210147 [0,2,0,0,0,0|2,0,0]=4 3705 B16R1.1229 CCOCCNc1ccc(cc1F)[N+](=O)[O-] 34a_100000745739_100000210147 [0,2,0,0,0,0|2,0,0]=4 3706 B16R1.1229 CCOCCNc1ccc(cc1F)[N+](=O)[O-] 34a_200011248818_100000210202 [0,2,0,0,0,0|2,0,0]=4 3707 B16R1.1229 CCOCCNc1ccc(cc1F)[N+](=O)[O-] 7a_200011248818_100000210202 [0,2,0,0,0,0|2,0,0]=4 3708 B16R1.1229 CCOCCOc1ccc(cc1Br)[N+](=O)[O-] 34a_100000756651_100000210147 [0,2,0,0,0,0|1,0,0]=3 3709 B16R1.1229 CCOCCOc1ccc(cc1Br)[N+](=O)[O-] 7a_100000756651_100011215890 [0,2,0,0,0,0|1,0,0]=3 3710 B16R1.1229 CCOCCOc1ccc(cc1C)[N+](=O)[O-] 34a_100000744956_100000210147 [0,2,0,0,0,0|1,0,0]=3 3711 B16R1.1229 CCOCCOc1ccc(cc1C)[N+](=O)[O-] 7a_100000744956_100011215890 [0,2,0,0,0,0|1,0,0]=3 3712 B16R1.1229 CCOCCOc1ccc(cc1Cl)[N+](=O)[O-] 34a_100000206008_100000210147 [0,2,0,0,0,0|1,0,0]=3 3713 B16R1.1229 CCOCCOc1ccc(cc1Cl)[N+](=O)[O-] 7a_100000206008_100011215890 [0,2,0,0,0,0|1,0,0]=3 3714 B16R1.1229 CCOCCOc1ccc(cc1F)[N+](=O)[O-] 34a_100000739697_100000210147 [0,2,0,0,0,0|1,0,0]=3 3715 B16R1.1229 CCOCCOc1ccc(cc1F)[N+](=O)[O-] 7a_100000739697_100011215890 [0,2,0,0,0,0|1,0,0]=3 3716 B16R1.1229 CCOCCOc1ccc(cc1I)[N+](=O)[O-] 34a_100012047213_100000210147 [0,2,0,0,0,0|1,0,0]=3 3717 B16R1.1229 CCOCCOc1ccc(cc1I)[N+](=O)[O-] 7a_100012047213_100011215890 [0,2,0,0,0,0|1,0,0]=3 3718 B16R1.1229 CCOCCOc1ccc(cc1N)[N+](=O)[O-] 34a_100000181223_100000210147 [0,2,0,0,0,0|1,0,0]=3 3719 B16R1.1229 CCOCCOc1ccc(cc1N)[N+](=O)[O-] 7a_100000181223_100011215890 [0,2,0,0,0,0|1,0,0]=3 3720 B16R1.1229 CCOCCOc1ccc(nc1C)[N+](=O)[O-] 7a_100009862445_100011215890 [0,2,0,0,0,0|2,0,0]=4 3721 B16R1.1229 CCOCCOc1cnc(cc1C)[N+](=O)[O-] 7a_100015695027_100011215890 [0,2,0,0,0,0|2,0,0]=4 3722 B16R1.1229 CCOCCOc1ncc(cc1F)[N+](=O)[O-] 34a_100000100219_100000210147 [0,2,0,0,0,0|2,0,0]=4 3723 B16R1.1229 CCSCCNc1ccc(cc1C)[N+](=O)[O-] 2230a_100000184110_100000757381 [0,2,0,0,0,0|2,0,0]=4 3724 B16R1.1229 CCSCCNc1ccc(cc1C)[N+](=O)[O-] 34a_100000184110_100000757381 [0,2,0,0,0,0|2,0,0]=4 3725 B16R1.1229 CCSCCNc1ccc(cc1C)[N+](=O)[O-] 7a_100000184110_100000757381 [0,2,0,0,0,0|2,0,0]=4 3726 B16R1.1229 CCSCCNc1ccc(cc1Cl)[N+](=O)[O-] 34a_100000185723_100000757381 [0,2,0,0,0,0|2,0,0]=4 3727 B16R1.1229 CCSCCNc1ccc(cc1F)[N+](=O)[O-] 34a_100000745739_100000757381 [0,2,0,0,0,0|2,0,0]=4 3728 B16R1.1229 CCSCCOc1ccc(cc1Br)[N+](=O)[O-] 34a_100000756651_100000757381 [0,2,0,0,0,0|1,0,0]=3 3729 B16R1.1229 CCSCCOc1ccc(cc1Br)[N+](=O)[O-] 7a_100000756651_100000757381 [0,2,0,0,0,0|1,0,0]=3 3730 B16R1.1229 CCSCCOc1ccc(cc1C)[N+](=O)[O-] 34a_100000744956_100000757381 [0,2,0,0,0,0|1,0,0]=3 3731 B16R1.1229 CCSCCOc1ccc(cc1C)[N+](=O)[O-] 7a_100000744956_100000757381 [0,2,0,0,0,0|1,0,0]=3 3732 B16R1.1229 CCSCCOc1ccc(cc1Cl)[N+](=O)[O-] 34a_100000206008_100000757381 [0,2,0,0,0,0|1,0,0]=3 3733 B16R1.1229 CCSCCOc1ccc(cc1Cl)[N+](=O)[O-] 7a_100000206008_100000757381 [0,2,0,0,0,0|1,0,0]=3 3734 B16R1.1229 CCSCCOc1ccc(cc1F)[N+](=O)[O-] 34a_100000739697_100000757381 [0,2,0,0,0,0|1,0,0]=3 3735 B16R1.1229 CCSCCOc1ccc(cc1F)[N+](=O)[O-] 7a_100000739697_100000757381 [0,2,0,0,0,0|1,0,0]=3 3736 B16R1.1229 CCSCCOc1ccc(cc1I)[N+](=O)[O-] 34a_100012047213_100000757381 [0,2,0,0,0,0|1,0,0]=3 3737 B16R1.1229 CCSCCOc1ccc(cc1I)[N+](=O)[O-] 7a_100012047213_100000757381 [0,2,0,0,0,0|1,0,0]=3 3738 B16R1.1229 CCSCCOc1ccc(cc1N)[N+](=O)[O-] 34a_100000181223_100000757381 [0,2,0,0,0,0|1,0,0]=3 3739 B16R1.1229 CCSCCOc1ccc(cc1N)[N+](=O)[O-] 7a_100000181223_100000757381 [0,2,0,0,0,0|1,0,0]=3 3740 B16R1.1229 CCSCCOc1ccc(nc1C)[N+](=O)[O-] 7a_100009862445_100000757381 [0,2,0,0,0,0|2,0,0]=4 3741 B16R1.1229 CCSCCOc1cnc(cc1C)[N+](=O)[O-] 7a_100015695027_100000757381 [0,2,0,0,0,0|2,0,0]=4 3742 B16R1.1229 CCSCCOc1ncc(cc1F)[N+](=O)[O-] 34a_100000100219_100000757381 [0,2,0,0,0,0|2,0,0]=4 3743 B16R1.1229 COCCCNc1ccc(cc1C)[N+](=O)[O-] 2230a_100000184110_100000740836 [0,2,0,0,0,0|1,0,0]=3 3744 B16R1.1229 COCCCNc1ccc(cc1C)[N+](=O)[O-] 34a_100000184110_100000740836 [0,2,0,0,0,0|1,0,0]=3 3745 B16R1.1229 COCCCNc1ccc(cc1C)[N+](=O)[O-] 7a_100000184110_100000740836 [0,2,0,0,0,0|1,0,0]=3 3746 B16R1.1229 COCCCNc1ccc(cc1Cl)[N+](=O)[O-] 34a_100000185723_100000740836 [0,2,0,0,0,0|1,0,0]=3 3747 B16R1.1229 COCCCNc1ccc(cc1F)[N+](=O)[O-] 34a_100000745739_100000740836 [0,2,0,0,0,0|1,0,0]=3 3748 B16R1.1229 COCCCOc1ccc(cc1Br)C(=O)C 34a_100011772453_100000740836 [0,2,0,0,0,0|2,0,0]=4 3749 B16R1.1229 COCCCOc1ccc(cc1Br)C(=O)C 7a_100011772453_100000740836 [0,2,0,0,0,0|2,0,0]=4 3750 B16R1.1229 COCCCOc1ccc(cc1Br)[N+](=O)[O-] 34a_100000756651_100000740836 [0,2,0,0,0,0|0,0,0]=2 3751 B16R1.1229 COCCCOc1ccc(cc1Br)[N+](=O)[O-] 7a_100000756651_100000740836 [0,2,0,0,0,0|0,0,0]=2 3752 B16R1.1229 COCCCOc1ccc(cc1C)C(=O)C 34a_100000188726_100000740836 [0,2,0,0,0,0|2,0,0]=4 3753 B16R1.1229 COCCCOc1ccc(cc1C)C(=O)C 7a_100000188726_100000740836 [0,2,0,0,0,0|2,0,0]=4 3754 B16R1.1229 COCCCOc1ccc(cc1C)[N+](=O)[O-] 34a_100000744956_100000740836 [0,2,0,0,0,0|0,0,0]=2 3755 B16R1.1229 COCCCOc1ccc(cc1C)[N+](=O)[O-] 7a_100000744956_100000740836 [0,2,0,0,0,0|0,0,0]=2 3756 B16R1.1229 COCCCOc1ccc(cc1Cl)C(=O)C 34a_100000188625_100000740836 [0,2,0,0,0,0|2,0,0]=4 3757 B16R1.1229 COCCCOc1ccc(cc1Cl)C(=O)C 7a_100000188625_100000740836 [0,2,0,0,0,0|2,0,0]=4 3758 B16R1.1229 COCCCOc1ccc(cc1Cl)C(=O)N 34a_200000192832_100000740836 [0,2,0,0,0,0|2,0,0]=4 3759 B16R1.1229 COCCCOc1ccc(cc1Cl)C(=O)N 7a_200000192832_100000740836 [0,2,0,0,0,0|2,0,0]=4 3760 B16R1.1229 COCCCOc1ccc(cc1Cl)[N+](=O)[O-] 34a_100000206008_100000740836 [0,2,0,0,0,0|0,0,0]=2 3761 B16R1.1229 COCCCOc1ccc(cc1Cl)[N+](=O)[O-] 7a_100000206008_100000740836 [0,2,0,0,0,0|0,0,0]=2 3762 B16R1.1229 COCCCOc1ccc(cc1F)C(=O)C 34a_100000751691_100000740836 [0,2,0,0,0,0|2,0,0]=4 3763 B16R1.1229 COCCCOc1ccc(cc1F)C(=O)C 7a_100000751691_100000740836 [0,2,0,0,0,0|2,0,0]=4 3764 B16R1.1229 COCCCOc1ccc(cc1F)[N+](=O)[O-] 34a_100000739697_100000740836 [0,2,0,0,0,0|0,0,0]=2 3765 B16R1.1229 COCCCOc1ccc(cc1F)[N+](=O)[O-] 7a_100000739697_100000740836 [0,2,0,0,0,0|0,0,0]=2 3766 B16R1.1229 COCCCOc1ccc(cc1I)[N+](=O)[O-] 34a_100012047213_100000740836 [0,2,0,0,0,0|0,0,0]=2 3767 B16R1.1229 COCCCOc1ccc(cc1I)[N+](=O)[O-] 7a_100012047213_100000740836 [0,2,0,0,0,0|0,0,0]=2 3768 B16R1.1229 COCCCOc1ccc(cc1N)C(=O)C 34a_100000117292_100000740836 [0,2,0,0,0,0|2,0,0]=4 3769 B16R1.1229 COCCCOc1ccc(cc1N)C(=O)C 7a_100000117292_100000740836 [0,2,0,0,0,0|2,0,0]=4 3770 B16R1.1229 COCCCOc1ccc(cc1N)[N+](=O)[O-] 34a_100000181223_100000740836 [0,2,0,0,0,0|0,0,0]=2 3771 B16R1.1229 COCCCOc1ccc(cc1N)[N+](=O)[O-] 7a_100000181223_100000740836 [0,2,0,0,0,0|0,0,0]=2 3772 B16R1.1229 COCCCOc1ccc(nc1C)[N+](=O)[O-] 7a_100009862445_100000740836 [0,2,0,0,0,0|1,0,0]=3 3773 B16R1.1229 COCCCOc1cnc(cc1C)[N+](=O)[O-] 7a_100015695027_100000740836 [0,2,0,0,0,0|1,0,0]=3 3774 B16R1.1229 COCCCOc1ncc(cc1F)[N+](=O)[O-] 34a_100000100219_100000740836 [0,2,0,0,0,0|1,0,0]=3 3775 B16R1.1229 COCCNCc1ccc(cc1Br)[N+](=O)[O-] 2230a_100000209980_100000741879 [0,2,0,0,0,0|2,0,0]=4 3776 B16R1.1229 COCCNCc1ccc(cc1Br)[N+](=O)[O-] 270004a_100000209980_100011202981 [0,2,0,0,0,0|2,0,0]=4 3777 B16R1.1229 COCCNCc1ccc(cc1C)[N+](=O)[O-] 207a_100000209980_100000695237 [0,2,0,0,0,0|2,0,0]=4 3778 B16R1.1229 COCCNCc1ccc(cc1C)[N+](=O)[O-] 2230a_100000209980_100010218038 [0,2,0,0,0,0|2,0,0]=4 3779 B16R1.1229 COCCNCc1ccc(cc1Cl)[N+](=O)[O-] 2230a_100000209980_100000747184 [0,2,0,0,0,0|2,0,0]=4 3780 B16R1.1229 COCCNCc1ccc(cc1Cl)[N+](=O)[O-] 270004a_100000209980_100000755334 [0,2,0,0,0,0|2,0,0]=4 3781 B16R1.1229 COCCNCc1ccc(cc1F)[N+](=O)[O-] 2230a_100000209980_100000759423 [0,2,0,0,0,0|2,0,0]=4 3782 B16R1.1229 COCCNCc1ccc(cc1F)[N+](=O)[O-] 34a_100016989035_100011201679 [0,2,0,0,0,0|2,0,0]=4 3783 B16R1.1229 COCCOCc1ccc(cc1Br)[N+](=O)[O-] 34a_100000210237_100000741879 [0,2,0,0,0,0|2,0,0]=4 3784 B16R1.1229 COCCOCc1ccc(cc1C)[N+](=O)[O-] 34a_100000210237_100010218038 [0,2,0,0,0,0|2,0,0]=4 3785 B16R1.1229 COCCOCc1ccc(cc1C)[N+](=O)[O-] 34a_100009883322_100011201679 [0,2,0,0,0,0|2,0,0]=4 3786 B16R1.1229 COCCOCc1ccc(cc1C)[N+](=O)[O-] 7a_100009883322_100000233755 [0,2,0,0,0,0|2,0,0]=4 3787 B16R1.1229 COCCOCc1ccc(cc1Cl)[N+](=O)[O-] 34a_100000210237_100000747184 [0,2,0,0,0,0|2,0,0]=4 3788 B16R1.1229 COCCOCc1ccc(cc1Cl)[N+](=O)[O-] 34a_100000694850_100011201679 [0,2,0,0,0,0|2,0,0]=4 3789 B16R1.1229 COCCOCc1ccc(cc1Cl)[N+](=O)[O-] 7a_100000694850_100000233755 [0,2,0,0,0,0|2,0,0]=4 3790 B16R1.1229 COCCOCc1ccc(cc1F)[N+](=O)[O-] 34a_100000210237_100000759423 [0,2,0,0,0,0|2,0,0]=4 3791 B16R1.1229 COCCOCc1ccc(cc1F)[N+](=O)[O-] 34a_100012002375_100011201679 [0,2,0,0,0,0|2,0,0]=4 3792 B16R1.1229 COCCOCc1ccc(cc1F)[N+](=O)[O-] 7a_100012002375_100000233755 [0,2,0,0,0,0|2,0,0]=4 3793 B16R1.1229 COCCOCc1ccc(cc1I)[N+](=O)[O-] 7a_200010150283_100000233755 [0,2,0,0,0,0|2,0,0]=4 3794 B16R1.1229 COCCOCc1ccc(cc1N)[N+](=O)[O-] 34a_100011934201_100011201679 [0,2,0,0,0,0|2,0,0]=4 3795 B16R1.1229 COCCSCc1ccc(cc1Br)[N+](=O)[O-] 62a_100000741879_100000233755 [0,2,0,0,0,0|2,0,0]=4 3796 B16R1.1229 CSCCOCc1ccc(cc1Br)[N+](=O)[O-] 34a_100000230434_100000741879 [0,2,0,0,0,0|2,0,0]=4 3797 B16R1.1229 CSCCOCc1ccc(cc1Br)[N+](=O)[O-] 7a_100000230434_100000741879 [0,2,0,0,0,0|2,0,0]=4 3798 B16R1.1229 CSCCOCc1ccc(cc1C)[N+](=O)[O-] 34a_100000230434_100010218038 [0,2,0,0,0,0|2,0,0]=4 3799 B16R1.1229 CSCCOCc1ccc(cc1C)[N+](=O)[O-] 34a_100009883322_100000212216 [0,2,0,0,0,0|2,0,0]=4 3800 B16R1.1229 CSCCOCc1ccc(cc1C)[N+](=O)[O-] 7a_100000230434_100010218038 [0,2,0,0,0,0|2,0,0]=4 3801 B16R1.1229 CSCCOCc1ccc(cc1C)[N+](=O)[O-] 7a_100009883322_100000212216 [0,2,0,0,0,0|2,0,0]=4 3802 B16R1.1229 CSCCOCc1ccc(cc1Cl)[N+](=O)[O-] 34a_100000230434_100000747184 [0,2,0,0,0,0|2,0,0]=4 3803 B16R1.1229 CSCCOCc1ccc(cc1Cl)[N+](=O)[O-] 34a_100000694850_100000212216 [0,2,0,0,0,0|2,0,0]=4 3804 B16R1.1229 CSCCOCc1ccc(cc1Cl)[N+](=O)[O-] 7a_100000230434_100000747184 [0,2,0,0,0,0|2,0,0]=4 3805 B16R1.1229 CSCCOCc1ccc(cc1Cl)[N+](=O)[O-] 7a_100000694850_100000212216 [0,2,0,0,0,0|2,0,0]=4 3806 B16R1.1229 CSCCOCc1ccc(cc1F)[N+](=O)[O-] 34a_100000230434_100000759423 [0,2,0,0,0,0|2,0,0]=4 3807 B16R1.1229 CSCCOCc1ccc(cc1F)[N+](=O)[O-] 34a_100012002375_100000212216 [0,2,0,0,0,0|2,0,0]=4 3808 B16R1.1229 CSCCOCc1ccc(cc1F)[N+](=O)[O-] 7a_100000230434_100000759423 [0,2,0,0,0,0|2,0,0]=4 3809 B16R1.1229 CSCCOCc1ccc(cc1F)[N+](=O)[O-] 7a_100012002375_100000212216 [0,2,0,0,0,0|2,0,0]=4 3810 B16R1.1229 CSCCOCc1ccc(cc1I)[N+](=O)[O-] 7a_200010150283_100000212216 [0,2,0,0,0,0|2,0,0]=4 3811 B16R1.1229 CSCCOCc1ccc(cc1N)[N+](=O)[O-] 34a_100011934201_100000212216 [0,2,0,0,0,0|2,0,0]=4 3812 B16R1.1229 Cc1cc(ccc1C=NNCCO)[N+](=O)[O-] 4a_100000210001_100000695237 [0,2,0,0,0,0|2,0,0]=4 3813 B16R1.1229 Cc1cc(ccc1CNCCCF)[N+](=O)[O-] 207a_100015189416_100000695237 [0,2,0,0,0,0|2,0,0]=4 3814 B16R1.1229 Cc1cc(ccc1CNCCCF)[N+](=O)[O-] 2230a_100015189416_100010218038 [0,2,0,0,0,0|2,0,0]=4 3815 B16R1.1229 Cc1cc(ccc1CNCCCF)[N+](=O)[O-] 34a_100015189416_100010218038 [0,2,0,0,0,0|2,0,0]=4 3816 B16R1.1229 Cc1cc(ccc1CNCCCO)[N+](=O)[O-] 207a_100000182051_100000695237 [0,2,0,0,0,0|1,0,0]=3 3817 B16R1.1229 Cc1cc(ccc1COCCC#N)[N+](=O)[O-] 7a_100009883322_100000184422 [0,2,0,0,0,0|1,0,1]=4 3818 B16R1.1229 Cc1cc(ccc1COCCCBr)[N+](=O)[O-] 34a_100011217188_100010218038 [0,2,0,0,0,0|1,0,0]=3 3819 B16R1.1229 Cc1cc(ccc1COCCCCl)[N+](=O)[O-] 34a_100000230001_100010218038 [0,2,0,0,0,0|1,0,0]=3 3820 B16R1.1229 Cc1cc(ccc1COCCCF)[N+](=O)[O-] 34a_100000759539_100010218038 [0,2,0,0,0,0|1,0,0]=3 3821 B16R1.1229 Cc1cc(ccc1COCCCF)[N+](=O)[O-] 34a_100009883322_100011934791 [0,2,0,0,0,0|1,0,0]=3 3822 B16R1.1229 Cc1cc(ccc1COCCCF)[N+](=O)[O-] 7a_100009883322_100011934791 [0,2,0,0,0,0|1,0,0]=3 3823 B16R1.1229 Cc1cc(ccc1COCCCN)[N+](=O)[O-] 34a_100000182051_100010218038 [0,2,0,0,0,0|1,0,0]=3 3824 B16R1.1229 Cc1cc(ccc1COCCCO)[N+](=O)[O-] 34a_100009883322_100000230001 [0,2,0,0,0,0|0,0,0]=2 3825 B16R1.1229 Cc1cc(ccc1COCCCO)[N+](=O)[O-] 7a_100009883322_100011215043 [0,2,0,0,0,0|0,0,0]=2 3826 B16R1.1229 Cc1cc(ccc1COCCON)[N+](=O)[O-] 34a_100000700252_100010218038 [0,2,0,0,0,0|2,0,0]=4 3827 B16R1.1229 Cc1cc(ccc1NCC#CCO)[N+](=O)[O-] 2230a_100000184110_200000047223 [0,2,0,0,0,0|1,0,1]=4 3828 B16R1.1229 Cc1cc(ccc1NCC#CCO)[N+](=O)[O-] 34a_100000184110_200000047223 [0,2,0,0,0,0|1,0,1]=4 3829 B16R1.1229 Cc1cc(ccc1NCC#CCO)[N+](=O)[O-] 7a_100000184110_200000047223 [0,2,0,0,0,0|1,0,1]=4 3830 B16R1.1229 Cc1cc(ccc1NCCCC#N)[N+](=O)[O-] 2230a_100000184110_100000687738 [0,2,0,0,0,0|2,0,0]=4 3831 B16R1.1229 Cc1cc(ccc1NCCCC#N)[N+](=O)[O-] 7a_100000184110_100000687738 [0,2,0,0,0,0|2,0,0]=4 3832 B16R1.1229 Cc1cc(ccc1NCCCC=O)[N+](=O)[O-] 2230a_100000184110_200011292268 [0,2,0,0,0,0|1,0,1]=4 3833 B16R1.1229 Cc1cc(ccc1NCCCC=O)[N+](=O)[O-] 7a_100000184110_200011292268 [0,2,0,0,0,0|1,0,1]=4 3834 B16R1.1229 Cc1cc(ccc1NCCCCF)[N+](=O)[O-] 2230a_100000184110_100000729493 [0,2,0,0,0,0|2,0,0]=4 3835 B16R1.1229 Cc1cc(ccc1NCCCCF)[N+](=O)[O-] 34a_100000184110_100000729493 [0,2,0,0,0,0|2,0,0]=4 3836 B16R1.1229 Cc1cc(ccc1NCCCCF)[N+](=O)[O-] 7a_100000184110_100000729493 [0,2,0,0,0,0|2,0,0]=4 3837 B16R1.1229 Cc1cc(ccc1NCCCCO)[N+](=O)[O-] 2230a_100000184110_100000210776 [0,2,0,0,0,0|1,0,0]=3 3838 B16R1.1229 Cc1cc(ccc1NCCCCO)[N+](=O)[O-] 34a_100000184110_100011216708 [0,2,0,0,0,0|1,0,0]=3 3839 B16R1.1229 Cc1cc(ccc1NCCCCO)[N+](=O)[O-] 7a_100000184110_100000210776 [0,2,0,0,0,0|1,0,0]=3 3840 B16R1.1229 Cc1cc(ccc1OCC#CCO)[N+](=O)[O-] 34a_100000744956_200000047223 [0,2,0,0,0,0|0,0,1]=3 3841 B16R1.1229 Cc1cc(ccc1OCC#CCO)[N+](=O)[O-] 7a_100000744956_200000047223 [0,2,0,0,0,0|0,0,1]=3 3842 B16R1.1229 Cc1cc(ccc1OCCCC#N)[N+](=O)[O-] 7a_100000744956_100000687738 [0,2,0,0,0,0|1,0,0]=3 3843 B16R1.1229 Cc1cc(ccc1OCCCC=O)[N+](=O)[O-] 7a_100000744956_200011292268 [0,2,0,0,0,0|0,0,1]=3 3844 B16R1.1229 Cc1cc(ccc1OCCCCF)[N+](=O)[O-] 34a_100000744956_100000729493 [0,2,0,0,0,0|1,0,0]=3 3845 B16R1.1229 Cc1cc(ccc1OCCCCF)[N+](=O)[O-] 7a_100000744956_100000729493 [0,2,0,0,0,0|1,0,0]=3 3846 B16R1.1229 Cc1cc(ccc1OCCCCO)[N+](=O)[O-] 34a_100000744956_100011216708 [0,2,0,0,0,0|0,0,0]=2 3847 B16R1.1229 Cc1cc(ccc1OCCCCO)[N+](=O)[O-] 7a_100000744956_100000210776 [0,2,0,0,0,0|0,0,0]=2 3848 B16R1.1229 Cc1cc(ncc1OCC#CCO)[N+](=O)[O-] 7a_100015695027_200000047223 [0,2,0,0,0,0|1,0,1]=4 3849 B16R1.1229 Cc1cc(ncc1OCCCC#N)[N+](=O)[O-] 7a_100015695027_100000687738 [0,2,0,0,0,0|2,0,0]=4 3850 B16R1.1229 Cc1cc(ncc1OCCCC=O)[N+](=O)[O-] 7a_100015695027_200011292268 [0,2,0,0,0,0|1,0,1]=4 3851 B16R1.1229 Cc1cc(ncc1OCCCCF)[N+](=O)[O-] 7a_100015695027_100000729493 [0,2,0,0,0,0|2,0,0]=4 3852 B16R1.1229 Cc1cc(ncc1OCCCCO)[N+](=O)[O-] 7a_100015695027_100000210776 [0,2,0,0,0,0|1,0,0]=3 3853 B16R1.1229 Cc1nc(ccc1OCC#CCO)[N+](=O)[O-] 7a_100009862445_200000047223 [0,2,0,0,0,0|1,0,1]=4 3854 B16R1.1229 Cc1nc(ccc1OCCCC#N)[N+](=O)[O-] 7a_100009862445_100000687738 [0,2,0,0,0,0|2,0,0]=4 3855 B16R1.1229 Cc1nc(ccc1OCCCC=O)[N+](=O)[O-] 7a_100009862445_200011292268 [0,2,0,0,0,0|1,0,1]=4 3856 B16R1.1229 Cc1nc(ccc1OCCCCF)[N+](=O)[O-] 7a_100009862445_100000729493 [0,2,0,0,0,0|2,0,0]=4 3857 B16R1.1229 Cc1nc(ccc1OCCCCO)[N+](=O)[O-] 7a_100009862445_100000210776 [0,2,0,0,0,0|1,0,0]=3 3858 B16R1.1229 N#CCCCOc1ccc(cc1Br)[N+](=O)[O-] 7a_100000756651_100000687738 [0,2,0,0,0,0|1,0,0]=3 3859 B16R1.1229 N#CCCCOc1ccc(cc1Cl)[N+](=O)[O-] 7a_100000206008_100000687738 [0,2,0,0,0,0|1,0,0]=3 3860 B16R1.1229 N#CCCCOc1ccc(cc1F)[N+](=O)[O-] 7a_100000739697_100000687738 [0,2,0,0,0,0|1,0,0]=3 3861 B16R1.1229 N#CCCCOc1ccc(cc1I)[N+](=O)[O-] 7a_100012047213_100000687738 [0,2,0,0,0,0|1,0,0]=3 3862 B16R1.1229 N#CCCCOc1ccc(cc1N)[N+](=O)[O-] 7a_100000181223_100000687738 [0,2,0,0,0,0|1,0,0]=3 3863 B16R1.1229 N#CCCOCc1ccc(cc1Cl)[N+](=O)[O-] 7a_100000694850_100000184422 [0,2,0,0,0,0|1,0,1]=4 3864 B16R1.1229 N#CCCOCc1ccc(cc1F)[N+](=O)[O-] 7a_100012002375_100000184422 [0,2,0,0,0,0|1,0,1]=4 3865 B16R1.1229 N#CCCOCc1ccc(cc1I)[N+](=O)[O-] 7a_200010150283_100000184422 [0,2,0,0,0,0|1,0,1]=4 3866 B16R1.1229 NC(=O)c1ccc(c(c1)Cl)OCCCCO 34a_200000192832_100011216708 [0,2,0,0,0,0|2,0,0]=4 3867 B16R1.1229 NC(=O)c1ccc(c(c1)Cl)OCCCCO 7a_200000192832_100000210776 [0,2,0,0,0,0|2,0,0]=4 3868 B16R1.1229 NCCCOCc1ccc(cc1Br)[N+](=O)[O-] 34a_100000182051_100000741879 [0,2,0,0,0,0|1,0,0]=3 3869 B16R1.1229 NCCCOCc1ccc(cc1Cl)[N+](=O)[O-] 34a_100000182051_100000747184 [0,2,0,0,0,0|1,0,0]=3 3870 B16R1.1229 NCCCOCc1ccc(cc1F)[N+](=O)[O-] 34a_100000182051_100000759423 [0,2,0,0,0,0|1,0,0]=3 3871 B16R1.1229 NOCCOCc1ccc(cc1Br)[N+](=O)[O-] 34a_100000700252_100000741879 [0,2,0,0,0,0|2,0,0]=4 3872 B16R1.1229 NOCCOCc1ccc(cc1Cl)[N+](=O)[O-] 34a_100000700252_100000747184 [0,2,0,0,0,0|2,0,0]=4 3873 B16R1.1229 NOCCOCc1ccc(cc1F)[N+](=O)[O-] 34a_100000700252_100000759423 [0,2,0,0,0,0|2,0,0]=4 3874 B16R1.1229 Nc1cc(ccc1COCCCF)[N+](=O)[O-] 34a_100011934201_100011934791 [0,2,0,0,0,0|1,0,0]=3 3875 B16R1.1229 Nc1cc(ccc1COCCCO)[N+](=O)[O-] 34a_100011934201_100000230001 [0,2,0,0,0,0|0,0,0]=2 3876 B16R1.1229 Nc1cc(ccc1OCC#CCO)[N+](=O)[O-] 34a_100000181223_200000047223 [0,2,0,0,0,0|0,0,1]=3 3877 B16R1.1229 Nc1cc(ccc1OCC#CCO)[N+](=O)[O-] 7a_100000181223_200000047223 [0,2,0,0,0,0|0,0,1]=3 3878 B16R1.1229 Nc1cc(ccc1OCCCC=O)[N+](=O)[O-] 7a_100000181223_200011292268 [0,2,0,0,0,0|0,0,1]=3 3879 B16R1.1229 Nc1cc(ccc1OCCCCF)[N+](=O)[O-] 34a_100000181223_100000729493 [0,2,0,0,0,0|1,0,0]=3 3880 B16R1.1229 Nc1cc(ccc1OCCCCF)[N+](=O)[O-] 7a_100000181223_100000729493 [0,2,0,0,0,0|1,0,0]=3 3881 B16R1.1229 Nc1cc(ccc1OCCCCO)[N+](=O)[O-] 34a_100000181223_100011216708 [0,2,0,0,0,0|0,0,0]=2 3882 B16R1.1229 Nc1cc(ccc1OCCCCO)[N+](=O)[O-] 7a_100000181223_100000210776 [0,2,0,0,0,0|0,0,0]=2 3883 B16R1.1229 O=CCCCOc1ccc(cc1Br)[N+](=O)[O-] 7a_100000756651_200011292268 [0,2,0,0,0,0|0,0,1]=3 3884 B16R1.1229 O=CCCCOc1ccc(cc1Cl)[N+](=O)[O-] 7a_100000206008_200011292268 [0,2,0,0,0,0|0,0,1]=3 3885 B16R1.1229 O=CCCCOc1ccc(cc1F)[N+](=O)[O-] 7a_100000739697_200011292268 [0,2,0,0,0,0|0,0,1]=3 3886 B16R1.1229 O=CCCCOc1ccc(cc1I)[N+](=O)[O-] 7a_100012047213_200011292268 [0,2,0,0,0,0|0,0,1]=3 3887 B16R1.1229 O=[N+]([O-])c1ccc(c(c1)Br)C=NNCCO 4a_100000210001_100011202981 [0,2,0,0,0,0|2,0,0]=4 3888 B16R1.1229 O=[N+]([O-])c1ccc(c(c1)Br)CNCCCF 2230a_100015189416_100000741879 [0,2,0,0,0,0|2,0,0]=4 3889 B16R1.1229 O=[N+]([O-])c1ccc(c(c1)Br)CNCCCF 270004a_100015189416_100011202981 [0,2,0,0,0,0|2,0,0]=4 3890 B16R1.1229 O=[N+]([O-])c1ccc(c(c1)Br)CNCCCF 34a_100015189416_100000741879 [0,2,0,0,0,0|2,0,0]=4 3891 B16R1.1229 O=[N+]([O-])c1ccc(c(c1)Br)CNCCCO 270004a_100000182051_100011202981 [0,2,0,0,0,0|1,0,0]=3 3892 B16R1.1229 O=[N+]([O-])c1ccc(c(c1)Br)COCCCBr 34a_100011217188_100000741879 [0,2,0,0,0,0|1,0,0]=3 3893 B16R1.1229 O=[N+]([O-])c1ccc(c(c1)Br)COCCCCl 34a_100000230001_100000741879 [0,2,0,0,0,0|1,0,0]=3 3894 B16R1.1229 O=[N+]([O-])c1ccc(c(c1)Br)COCCCF 34a_100000759539_100000741879 [0,2,0,0,0,0|1,0,0]=3 3895 B16R1.1229 O=[N+]([O-])c1ccc(c(c1)Br)CSCCCF 62a_100000741879_100011934791 [0,2,0,0,0,0|1,1,0]=4 3896 B16R1.1229 O=[N+]([O-])c1ccc(c(c1)Br)CSCCCO 62a_100000741879_100011215043 [0,2,0,0,0,0|0,1,0]=3 3897 B16R1.1229 O=[N+]([O-])c1ccc(c(c1)Br)OCC#CCO 34a_100000756651_200000047223 [0,2,0,0,0,0|0,0,1]=3 3898 B16R1.1229 O=[N+]([O-])c1ccc(c(c1)Br)OCC#CCO 7a_100000756651_200000047223 [0,2,0,0,0,0|0,0,1]=3 3899 B16R1.1229 O=[N+]([O-])c1ccc(c(c1)Br)OCCCCF 34a_100000756651_100000729493 [0,2,0,0,0,0|1,0,0]=3 3900 B16R1.1229 O=[N+]([O-])c1ccc(c(c1)Br)OCCCCF 7a_100000756651_100000729493 [0,2,0,0,0,0|1,0,0]=3 3901 B16R1.1229 O=[N+]([O-])c1ccc(c(c1)Br)OCCCCO 34a_100000756651_100011216708 [0,2,0,0,0,0|0,0,0]=2 3902 B16R1.1229 O=[N+]([O-])c1ccc(c(c1)Br)OCCCCO 7a_100000756651_100000210776 [0,2,0,0,0,0|0,0,0]=2 3903 B16R1.1229 O=[N+]([O-])c1ccc(c(c1)Cl)CNCCCF 2230a_100015189416_100000747184 [0,2,0,0,0,0|2,0,0]=4 3904 B16R1.1229 O=[N+]([O-])c1ccc(c(c1)Cl)CNCCCF 270004a_100015189416_100000755334 [0,2,0,0,0,0|2,0,0]=4 3905 B16R1.1229 O=[N+]([O-])c1ccc(c(c1)Cl)CNCCCF 34a_100015189416_100000747184 [0,2,0,0,0,0|2,0,0]=4 3906 B16R1.1229 O=[N+]([O-])c1ccc(c(c1)Cl)CNCCCO 270004a_100000182051_100000755334 [0,2,0,0,0,0|1,0,0]=3 3907 B16R1.1229 O=[N+]([O-])c1ccc(c(c1)Cl)COCCCBr 34a_100011217188_100000747184 [0,2,0,0,0,0|1,0,0]=3 3908 B16R1.1229 O=[N+]([O-])c1ccc(c(c1)Cl)COCCCCl 34a_100000230001_100000747184 [0,2,0,0,0,0|1,0,0]=3 3909 B16R1.1229 O=[N+]([O-])c1ccc(c(c1)Cl)COCCCF 34a_100000694850_100011934791 [0,2,0,0,0,0|1,0,0]=3 3910 B16R1.1229 O=[N+]([O-])c1ccc(c(c1)Cl)COCCCF 34a_100000759539_100000747184 [0,2,0,0,0,0|1,0,0]=3 3911 B16R1.1229 O=[N+]([O-])c1ccc(c(c1)Cl)COCCCF 7a_100000694850_100011934791 [0,2,0,0,0,0|1,0,0]=3 3912 B16R1.1229 O=[N+]([O-])c1ccc(c(c1)Cl)COCCCO 34a_100000694850_100000230001 [0,2,0,0,0,0|0,0,0]=2 3913 B16R1.1229 O=[N+]([O-])c1ccc(c(c1)Cl)COCCCO 7a_100000694850_100011215043 [0,2,0,0,0,0|0,0,0]=2 3914 B16R1.1229 O=[N+]([O-])c1ccc(c(c1)Cl)NCC#CCO 34a_100000185723_200000047223 [0,2,0,0,0,0|1,0,1]=4 3915 B16R1.1229 O=[N+]([O-])c1ccc(c(c1)Cl)NCCCCF 34a_100000185723_100000729493 [0,2,0,0,0,0|2,0,0]=4 3916 B16R1.1229 O=[N+]([O-])c1ccc(c(c1)Cl)NCCCCO 34a_100000185723_100011216708 [0,2,0,0,0,0|1,0,0]=3 3917 B16R1.1229 O=[N+]([O-])c1ccc(c(c1)Cl)OCC#CCO 34a_100000206008_200000047223 [0,2,0,0,0,0|0,0,1]=3 3918 B16R1.1229 O=[N+]([O-])c1ccc(c(c1)Cl)OCC#CCO 7a_100000206008_200000047223 [0,2,0,0,0,0|0,0,1]=3 3919 B16R1.1229 O=[N+]([O-])c1ccc(c(c1)Cl)OCCCCF 34a_100000206008_100000729493 [0,2,0,0,0,0|1,0,0]=3 3920 B16R1.1229 O=[N+]([O-])c1ccc(c(c1)Cl)OCCCCF 7a_100000206008_100000729493 [0,2,0,0,0,0|1,0,0]=3 3921 B16R1.1229 O=[N+]([O-])c1ccc(c(c1)Cl)OCCCCO 34a_100000206008_100011216708 [0,2,0,0,0,0|0,0,0]=2 3922 B16R1.1229 O=[N+]([O-])c1ccc(c(c1)Cl)OCCCCO 7a_100000206008_100000210776 [0,2,0,0,0,0|0,0,0]=2 3923 B16R1.1229 O=[N+]([O-])c1ccc(c(c1)F)C=NNCCO 4a_100000210001_100000755335 [0,2,0,0,0,0|2,0,0]=4 3924 B16R1.1229 O=[N+]([O-])c1ccc(c(c1)F)CNCCCF 2230a_100015189416_100000759423 [0,2,0,0,0,0|2,0,0]=4 3925 B16R1.1229 O=[N+]([O-])c1ccc(c(c1)F)CNCCCF 34a_100015189416_100000759423 [0,2,0,0,0,0|2,0,0]=4 3926 B16R1.1229 O=[N+]([O-])c1ccc(c(c1)F)CNCCCF 34a_100016989035_100011934791 [0,2,0,0,0,0|2,0,0]=4 3927 B16R1.1229 O=[N+]([O-])c1ccc(c(c1)F)CNCCCO 34a_100016989035_100000230001 [0,2,0,0,0,0|1,0,0]=3 3928 B16R1.1229 O=[N+]([O-])c1ccc(c(c1)F)COCCCBr 34a_100011217188_100000759423 [0,2,0,0,0,0|1,0,0]=3 3929 B16R1.1229 O=[N+]([O-])c1ccc(c(c1)F)COCCCCl 34a_100000230001_100000759423 [0,2,0,0,0,0|1,0,0]=3 3930 B16R1.1229 O=[N+]([O-])c1ccc(c(c1)F)COCCCF 34a_100000759539_100000759423 [0,2,0,0,0,0|1,0,0]=3 3931 B16R1.1229 O=[N+]([O-])c1ccc(c(c1)F)COCCCF 34a_100012002375_100011934791 [0,2,0,0,0,0|1,0,0]=3 3932 B16R1.1229 O=[N+]([O-])c1ccc(c(c1)F)COCCCF 7a_100012002375_100011934791 [0,2,0,0,0,0|1,0,0]=3 3933 B16R1.1229 O=[N+]([O-])c1ccc(c(c1)F)COCCCO 34a_100012002375_100000230001 [0,2,0,0,0,0|0,0,0]=2 3934 B16R1.1229 O=[N+]([O-])c1ccc(c(c1)F)COCCCO 7a_100012002375_100011215043 [0,2,0,0,0,0|0,0,0]=2 3935 B16R1.1229 O=[N+]([O-])c1ccc(c(c1)F)NCC#CCO 34a_100000745739_200000047223 [0,2,0,0,0,0|1,0,1]=4 3936 B16R1.1229 O=[N+]([O-])c1ccc(c(c1)F)NCCCCF 34a_100000745739_100000729493 [0,2,0,0,0,0|2,0,0]=4 3937 B16R1.1229 O=[N+]([O-])c1ccc(c(c1)F)NCCCCO 34a_100000745739_100011216708 [0,2,0,0,0,0|1,0,0]=3 3938 B16R1.1229 O=[N+]([O-])c1ccc(c(c1)F)NCCOCF 34a_200011248818_100015361967 [0,2,0,0,0,0|2,0,0]=4 3939 B16R1.1229 O=[N+]([O-])c1ccc(c(c1)F)NCCOCF 7a_200011248818_100015361967 [0,2,0,0,0,0|2,0,0]=4 3940 B16R1.1229 O=[N+]([O-])c1ccc(c(c1)F)OCC#CCO 34a_100000739697_200000047223 [0,2,0,0,0,0|0,0,1]=3 3941 B16R1.1229 O=[N+]([O-])c1ccc(c(c1)F)OCC#CCO 7a_100000739697_200000047223 [0,2,0,0,0,0|0,0,1]=3 3942 B16R1.1229 O=[N+]([O-])c1ccc(c(c1)F)OCCCCF 34a_100000739697_100000729493 [0,2,0,0,0,0|1,0,0]=3 3943 B16R1.1229 O=[N+]([O-])c1ccc(c(c1)F)OCCCCF 7a_100000739697_100000729493 [0,2,0,0,0,0|1,0,0]=3 3944 B16R1.1229 O=[N+]([O-])c1ccc(c(c1)F)OCCCCO 34a_100000739697_100011216708 [0,2,0,0,0,0|0,0,0]=2 3945 B16R1.1229 O=[N+]([O-])c1ccc(c(c1)F)OCCCCO 7a_100000739697_100000210776 [0,2,0,0,0,0|0,0,0]=2 3946 B16R1.1229 O=[N+]([O-])c1ccc(c(c1)I)COCCCF 7a_200010150283_100011934791 [0,2,0,0,0,0|1,0,0]=3 3947 B16R1.1229 O=[N+]([O-])c1ccc(c(c1)I)COCCCO 7a_200010150283_100011215043 [0,2,0,0,0,0|0,0,0]=2 3948 B16R1.1229 O=[N+]([O-])c1ccc(c(c1)I)OCC#CCO 34a_100012047213_200000047223 [0,2,0,0,0,0|0,0,1]=3 3949 B16R1.1229 O=[N+]([O-])c1ccc(c(c1)I)OCC#CCO 7a_100012047213_200000047223 [0,2,0,0,0,0|0,0,1]=3 3950 B16R1.1229 O=[N+]([O-])c1ccc(c(c1)I)OCCCCF 34a_100012047213_100000729493 [0,2,0,0,0,0|1,0,0]=3 3951 B16R1.1229 O=[N+]([O-])c1ccc(c(c1)I)OCCCCF 7a_100012047213_100000729493 [0,2,0,0,0,0|1,0,0]=3 3952 B16R1.1229 O=[N+]([O-])c1ccc(c(c1)I)OCCCCO 34a_100012047213_100011216708 [0,2,0,0,0,0|0,0,0]=2 3953 B16R1.1229 O=[N+]([O-])c1ccc(c(c1)I)OCCCCO 7a_100012047213_100000210776 [0,2,0,0,0,0|0,0,0]=2 3954 B16R1.1229 O=[N+]([O-])c1ccc(c(c1)O)C=NNCCO 4a_100000210001_100000050255 [0,2,0,0,0,0|2,0,0]=4 3955 B16R1.1229 O=[N+]([O-])c1cnc(c(c1)F)OCC#CCO 34a_100000100219_200000047223 [0,2,0,0,0,0|1,0,1]=4 3956 B16R1.1229 O=[N+]([O-])c1cnc(c(c1)F)OCCCCF 34a_100000100219_100000729493 [0,2,0,0,0,0|2,0,0]=4 3957 B16R1.1229 O=[N+]([O-])c1cnc(c(c1)F)OCCCCO 34a_100000100219_100011216708 [0,2,0,0,0,0|1,0,0]=3 3958 B16R1.1831 CCCCC(=O)c1ccc(cc1Br)[N+](=O)[O-] 1458a_100000758870_100000210211 [0,2,0,0,0,0|2,0,0]=4 3959 B16R1.1831 CCCCC(=O)c1ccc(cc1C)[N+](=O)[O-] 1458a_100000745847_100000210211 [0,2,0,0,0,0|2,0,0]=4 3960 B16R1.1831 CCCCC(=O)c1ccc(cc1Cl)[N+](=O)[O-] 1458a_100000188674_100000210211 [0,2,0,0,0,0|2,0,0]=4 3961 B16R1.1831 CCCCC(=O)c1ccc(cc1F)[N+](=O)[O-] 1458a_100000743136_100000210211 [0,2,0,0,0,0|2,0,0]=4 3962 B16R1.1831 CCCCC(=O)c1ccc(cc1I)[N+](=O)[O-] 1458a_100000749225_100000210211 [0,2,0,0,0,0|2,0,0]=4 3963 B16R1.1831 CCCCC(=O)c1ccc(cc1O)[N+](=O)[O-] 1458a_100000746214_100000210211 [0,2,0,0,0,0|2,0,0]=4 3964 B16R1.1831 CCCCN(C)c1ccc(cc1Br)[N+](=O)[O-] 2230a_200000714925_200000210301 [0,2,0,0,0,0|2,0,0]=4 3965 B16R1.1831 CCCCN(C)c1ccc(cc1Br)[N+](=O)[O-] 269982a_200000714925_200000210301 [0,2,0,0,0,0|2,0,0]=4 3966 B16R1.1831 CCCCN(C)c1ccc(cc1Br)[N+](=O)[O-] 269982a_200011534181_100000210211 [0,2,0,0,0,0|2,0,0]=4 3967 B16R1.1831 CCCCN(C)c1ccc(cc1Br)[N+](=O)[O-] 7a_200000714925_200000210301 [0,2,0,0,0,0|2,0,0]=4 3968 B16R1.1831 CCCCN(C)c1ccc(cc1C)[N+](=O)[O-] 2230a_200011219100_100000210211 [0,2,0,0,0,0|2,0,0]=4 3969 B16R1.1831 CCCCN(C)c1ccc(cc1C)[N+](=O)[O-] 269982a_200011219100_100000210211 [0,2,0,0,0,0|2,0,0]=4 3970 B16R1.1831 CCCCN(C)c1ccc(cc1C)[N+](=O)[O-] 34a_200011219100_100000210210 [0,2,0,0,0,0|2,0,0]=4 3971 B16R1.1831 CCCCN(C)c1ccc(cc1F)[N+](=O)[O-] 269982a_100011248812_100000210211 [0,2,0,0,0,0|2,0,0]=4 3972 B16R1.1831 CCCCN(C)c1ccc(cc1F)[N+](=O)[O-] 34a_100011248812_100000210210 [0,2,0,0,0,0|2,0,0]=4 3973 B16R1.1831 CCCCN([13CH3])c1ccc(cc1Br)[N+](=O)[O-] 2230a_200000714925_200025704644 [0,2,0,0,0,0|2,0,0]=4 3974 B16R1.1831 CCCCN([13CH3])c1ccc(cc1Br)[N+](=O)[O-] 269982a_200000714925_200025704644 [0,2,0,0,0,0|2,0,0]=4 3975 B16R1.1831 CCCCN([13CH3])c1ccc(cc1Br)[N+](=O)[O-] 7a_200000714925_200025704644 [0,2,0,0,0,0|2,0,0]=4 3976 B16R1.1831 CN(CCCF)c1ccc(cc1Br)[N+](=O)[O-] 269982a_200011534181_100011934791 [0,2,0,0,0,0|2,0,0]=4 3977 B16R1.1831 CN(CCCF)c1ccc(cc1F)[N+](=O)[O-] 269982a_100011248812_100011934791 [0,2,0,0,0,0|2,0,0]=4 3978 B16R1.1831 CN(CCCF)c1ccc(cc1F)[N+](=O)[O-] 34a_100011248812_100011934791 [0,2,0,0,0,0|2,0,0]=4 3979 B16R1.1831 CN(CCCO)c1ccc(cc1Br)[N+](=O)[O-] 269982a_200011534181_100011215043 [0,2,0,0,0,0|1,0,0]=3 3980 B16R1.1831 CN(CCCO)c1ccc(cc1F)[N+](=O)[O-] 269982a_100011248812_100011215043 [0,2,0,0,0,0|1,0,0]=3 3981 B16R1.1831 CN(CCCO)c1ccc(cc1F)[N+](=O)[O-] 34a_100011248812_100000230001 [0,2,0,0,0,0|1,0,0]=3 3982 B16R1.1831 Cc1cc(ccc1C(=O)CCCF)[N+](=O)[O-] 1458a_100000745847_100011934791 [0,2,0,0,0,0|2,0,0]=4 3983 B16R1.1831 Cc1cc(ccc1C(=O)CCCO)[N+](=O)[O-] 1458a_100000745847_100011215043 [0,2,0,0,0,0|1,0,0]=3 3984 B16R1.1831 Cc1cc(ccc1C(=O)NCCO)[N+](=O)[O-] 240690a_100000210304_100000745847 [0,2,0,0,0,0|2,0,0]=4 3985 B16R1.1831 Cc1cc(ccc1C(=O)NCCO)[N+](=O)[O-] 527a_100000210304_100000745847 [0,2,0,0,0,0|2,0,0]=4 3986 B16R1.1831 Cc1cc(ccc1N(C)CCCF)[N+](=O)[O-] 2230a_200011219100_100011934791 [0,2,0,0,0,0|2,0,0]=4 3987 B16R1.1831 Cc1cc(ccc1N(C)CCCF)[N+](=O)[O-] 269982a_200011219100_100011934791 [0,2,0,0,0,0|2,0,0]=4 3988 B16R1.1831 Cc1cc(ccc1N(C)CCCF)[N+](=O)[O-] 34a_200011219100_100011934791 [0,2,0,0,0,0|2,0,0]=4 3989 B16R1.1831 Cc1cc(ccc1N(C)CCCO)[N+](=O)[O-] 2230a_200011219100_100000230001 [0,2,0,0,0,0|1,0,0]=3 3990 B16R1.1831 Cc1cc(ccc1N(C)CCCO)[N+](=O)[O-] 269982a_200011219100_100011215043 [0,2,0,0,0,0|1,0,0]=3 3991 B16R1.1831 Cc1cc(ccc1N(C)CCCO)[N+](=O)[O-] 34a_200011219100_100000230001 [0,2,0,0,0,0|1,0,0]=3 3992 B16R1.1831 O=C(CCCF)c1ccc(cc1Br)[N+](=O)[O-] 1458a_100000758870_100011934791 [0,2,0,0,0,0|2,0,0]=4 3993 B16R1.1831 O=C(CCCF)c1ccc(cc1Cl)[N+](=O)[O-] 1458a_100000188674_100011934791 [0,2,0,0,0,0|2,0,0]=4 3994 B16R1.1831 O=C(CCCF)c1ccc(cc1F)[N+](=O)[O-] 1458a_100000743136_100011934791 [0,2,0,0,0,0|2,0,0]=4 3995 B16R1.1831 O=C(CCCF)c1ccc(cc1I)[N+](=O)[O-] 1458a_100000749225_100011934791 [0,2,0,0,0,0|2,0,0]=4 3996 B16R1.1831 O=C(CCCF)c1ccc(cc1O)[N+](=O)[O-] 1458a_100000746214_100011934791 [0,2,0,0,0,0|2,0,0]=4 3997 B16R1.1831 O=C(CCCO)c1ccc(cc1Br)[N+](=O)[O-] 1458a_100000758870_100011215043 [0,2,0,0,0,0|1,0,0]=3 3998 B16R1.1831 O=C(CCCO)c1ccc(cc1Cl)[N+](=O)[O-] 1458a_100000188674_100011215043 [0,2,0,0,0,0|1,0,0]=3 3999 B16R1.1831 O=C(CCCO)c1ccc(cc1F)[N+](=O)[O-] 1458a_100000743136_100011215043 [0,2,0,0,0,0|1,0,0]=3 4000 B16R1.1831 O=C(CCCO)c1ccc(cc1I)[N+](=O)[O-] 1458a_100000749225_100011215043 [0,2,0,0,0,0|1,0,0]=3 4001 B16R1.1831 O=C(CCCO)c1ccc(cc1O)[N+](=O)[O-] 1458a_100000746214_100011215043 [0,2,0,0,0,0|1,0,0]=3 4002 B16R1.1831 O=C(NCCO)c1ccc(cc1Br)[N+](=O)[O-] 240690a_100000210304_100000758870 [0,2,0,0,0,0|2,0,0]=4 4003 B16R1.1831 O=C(NCCO)c1ccc(cc1Br)[N+](=O)[O-] 527a_100000210304_100000758870 [0,2,0,0,0,0|2,0,0]=4 4004 B16R1.1831 O=C(NCCO)c1ccc(cc1Cl)[N+](=O)[O-] 240690a_100000210304_100000188674 [0,2,0,0,0,0|2,0,0]=4 4005 B16R1.1831 O=C(NCCO)c1ccc(cc1Cl)[N+](=O)[O-] 527a_100000210304_100000188674 [0,2,0,0,0,0|2,0,0]=4 4006 B16R1.1831 O=C(NCCO)c1ccc(cc1F)[N+](=O)[O-] 240690a_100000210304_100000743136 [0,2,0,0,0,0|2,0,0]=4 4007 B16R1.1831 O=C(NCCO)c1ccc(cc1F)[N+](=O)[O-] 527a_100000210304_100000743136 [0,2,0,0,0,0|2,0,0]=4 4008 B16R1.1831 O=C(NCCO)c1ccc(cc1I)[N+](=O)[O-] 240690a_100000210304_100000749225 [0,2,0,0,0,0|2,0,0]=4 4009 B16R1.1831 O=C(NCCO)c1ccc(cc1I)[N+](=O)[O-] 527a_100000210304_100000749225 [0,2,0,0,0,0|2,0,0]=4 4010 B16R1.1831 O=C(NCCO)c1ccc(cc1O)[N+](=O)[O-] 240690a_100000210304_100000746214 [0,2,0,0,0,0|2,0,0]=4 4011 B16R1.1831 O=C(NCCO)c1ccc(cc1O)[N+](=O)[O-] 527a_100000210304_100000746214 [0,2,0,0,0,0|2,0,0]=4 4012 B16R1.5465 C#CCCOc1cc(c(cc1Br)[N+](=O)[O-])C 7a_200012359939_100000688953 [0,2,0,0,0,0|1,0,1]=4 4013 B16R1.5465 C#CCCOc1cc(c(cc1C)[N+](=O)[O-])C 7a_100000736305_100000688953 [0,2,0,0,0,0|1,0,1]=4 4014 B16R1.5465 C#CCCOc1cc(c(cc1Cl)[N+](=O)[O-])C 34a_200000693809_100000688953 [0,2,0,0,0,0|1,0,1]=4 4015 B16R1.5465 C#CCCOc1cc(c(cc1Cl)[N+](=O)[O-])C 7a_200000693809_100000688953 [0,2,0,0,0,0|1,0,1]=4 4016 B16R1.5465 C#CCCOc1cc(c(cc1Cl)[N+](=O)[O-])Cl 7a_100012354867_100000688953 [0,2,0,0,0,0|1,0,1]=4 4017 B16R1.5465 C#CCCOc1cc(c(cc1F)[N+](=O)[O-])Cl 34a_100015761126_100000688953 [0,2,0,0,0,0|1,0,1]=4 4018 B16R1.5465 C#CCCOc1cc(c(cc1F)[N+](=O)[O-])Cl 7a_100015761126_100000688953 [0,2,0,0,0,0|1,0,1]=4 4019 B16R1.5465 C#CCCOc1cc(c(cc1F)[N+](=O)[O-])F 34a_100000042863_100000688953 [0,2,0,0,0,0|1,0,1]=4 4020 B16R1.5465 C#CCCOc1cc(c(cc1F)[N+](=O)[O-])F 7a_100000042863_100000688953 [0,2,0,0,0,0|1,0,1]=4 4021 B16R1.5465 C#CCCOc1cc(c(cc1N)[N+](=O)[O-])F 34a_200015898590_100000688953 [0,2,0,0,0,0|1,0,1]=4 4022 B16R1.5465 C#CCCOc1cc(c(cc1N)[N+](=O)[O-])F 7a_200015898590_100000688953 [0,2,0,0,0,0|1,0,1]=4 4023 B16R1.5465 C=CCCOc1cc(c(cc1Br)[N+](=O)[O-])C 7a_200012359939_100000754431 [0,2,0,0,0,0|1,0,1]=4 4024 B16R1.5465 C=CCCOc1cc(c(cc1C)[N+](=O)[O-])C 7a_100000736305_100000754431 [0,2,0,0,0,0|1,0,1]=4 4025 B16R1.5465 C=CCCOc1cc(c(cc1Cl)[N+](=O)[O-])C 34a_200000693809_100000754431 [0,2,0,0,0,0|1,0,1]=4 4026 B16R1.5465 C=CCCOc1cc(c(cc1Cl)[N+](=O)[O-])C 7a_200000693809_100000754431 [0,2,0,0,0,0|1,0,1]=4 4027 B16R1.5465 C=CCCOc1cc(c(cc1Cl)[N+](=O)[O-])Cl 7a_100012354867_100000754431 [0,2,0,0,0,0|1,0,1]=4 4028 B16R1.5465 C=CCCOc1cc(c(cc1F)[N+](=O)[O-])Cl 34a_100015761126_100000754431 [0,2,0,0,0,0|1,0,1]=4 4029 B16R1.5465 C=CCCOc1cc(c(cc1F)[N+](=O)[O-])Cl 7a_100015761126_100000754431 [0,2,0,0,0,0|1,0,1]=4 4030 B16R1.5465 C=CCCOc1cc(c(cc1F)[N+](=O)[O-])F 34a_100000042863_100000754431 [0,2,0,0,0,0|1,0,1]=4 4031 B16R1.5465 C=CCCOc1cc(c(cc1F)[N+](=O)[O-])F 7a_100000042863_100000754431 [0,2,0,0,0,0|1,0,1]=4 4032 B16R1.5465 C=CCCOc1cc(c(cc1N)[N+](=O)[O-])F 34a_200015898590_100000754431 [0,2,0,0,0,0|1,0,1]=4 4033 B16R1.5465 C=CCCOc1cc(c(cc1N)[N+](=O)[O-])F 7a_200015898590_100000754431 [0,2,0,0,0,0|1,0,1]=4 4034 B16R1.5465 CCCCNc1cc(c(cc1Br)[N+](=O)[O-])F 7a_100010371101_100000210211 [0,2,0,0,0,0|2,0,0]=4 4035 B16R1.5465 CCCCNc1cc(c(cc1C)[N+](=O)[O-])Br 7a_200010826999_100000210211 [0,2,0,0,0,0|2,0,0]=4 4036 B16R1.5465 CCCCNc1cc(c(cc1C)[N+](=O)[O-])C 7a_106256046237_100000210211 [0,2,0,0,0,0|2,0,0]=4 4037 B16R1.5465 CCCCNc1cc(c(cc1C)[N+](=O)[O-])Cl 7a_100000701678_100000210211 [0,2,0,0,0,0|2,0,0]=4 4038 B16R1.5465 CCCCNc1cc(c(cc1C)[N+](=O)[O-])F 7a_100000085368_100000210211 [0,2,0,0,0,0|2,0,0]=4 4039 B16R1.5465 CCCCNc1cc(c(cc1Cl)[N+](=O)[O-])Cl 7a_100000033050_100000210211 [0,2,0,0,0,0|2,0,0]=4 4040 B16R1.5465 CCCCNc1cc(c(cc1Cl)[N+](=O)[O-])F 7a_100011218492_100000210211 [0,2,0,0,0,0|2,0,0]=4 4041 B16R1.5465 CCCCNc1cc(c(cc1F)[N+](=O)[O-])F 34a_100000071221_100000210210 [0,2,0,0,0,0|2,0,0]=4 4042 B16R1.5465 CCCCNc1cc(c(cc1F)[N+](=O)[O-])F 7a_100000071221_100000210211 [0,2,0,0,0,0|2,0,0]=4 4043 B16R1.5465 CCCCOc1cc(c(cc1Br)[N+](=O)[O-])C 7a_200012359939_100000210211 [0,2,0,0,0,0|1,0,0]=3 4044 B16R1.5465 CCCCOc1cc(c(cc1C)[N+](=O)[O-])C 7a_100000736305_100000210211 [0,2,0,0,0,0|1,0,0]=3 4045 B16R1.5465 CCCCOc1cc(c(cc1Cl)[N+](=O)[O-])C 34a_200000693809_100000210210 [0,2,0,0,0,0|1,0,0]=3 4046 B16R1.5465 CCCCOc1cc(c(cc1Cl)[N+](=O)[O-])C 7a_200000693809_100000210211 [0,2,0,0,0,0|1,0,0]=3 4047 B16R1.5465 CCCCOc1cc(c(cc1Cl)[N+](=O)[O-])Cl 7a_100012354867_100000210211 [0,2,0,0,0,0|1,0,0]=3 4048 B16R1.5465 CCCCOc1cc(c(cc1F)[N+](=O)[O-])Cl 34a_100015761126_100000210210 [0,2,0,0,0,0|1,0,0]=3 4049 B16R1.5465 CCCCOc1cc(c(cc1F)[N+](=O)[O-])Cl 7a_100015761126_100000210211 [0,2,0,0,0,0|1,0,0]=3 4050 B16R1.5465 CCCCOc1cc(c(cc1F)[N+](=O)[O-])F 34a_100000042863_100000210210 [0,2,0,0,0,0|1,0,0]=3 4051 B16R1.5465 CCCCOc1cc(c(cc1F)[N+](=O)[O-])F 7a_100000042863_100000210211 [0,2,0,0,0,0|1,0,0]=3 4052 B16R1.5465 CCCCOc1cc(c(cc1N)[N+](=O)[O-])F 34a_200015898590_100000210210 [0,2,0,0,0,0|1,0,0]=3 4053 B16R1.5465 CCCCOc1cc(c(cc1N)[N+](=O)[O-])F 7a_200015898590_100000210211 [0,2,0,0,0,0|1,0,0]=3 4054 B16R1.5465 COCCOc1cc(c(cc1Br)[N+](=O)[O-])C 7a_200012359939_100000233755 [0,2,0,0,0,0|2,0,0]=4 4055 B16R1.5465 COCCOc1cc(c(cc1C)[N+](=O)[O-])C 7a_100000736305_100000233755 [0,2,0,0,0,0|2,0,0]=4 4056 B16R1.5465 COCCOc1cc(c(cc1Cl)[N+](=O)[O-])C 34a_200000693809_100011201679 [0,2,0,0,0,0|2,0,0]=4 4057 B16R1.5465 COCCOc1cc(c(cc1Cl)[N+](=O)[O-])C 7a_200000693809_100000233755 [0,2,0,0,0,0|2,0,0]=4 4058 B16R1.5465 COCCOc1cc(c(cc1Cl)[N+](=O)[O-])Cl 7a_100012354867_100000233755 [0,2,0,0,0,0|2,0,0]=4 4059 B16R1.5465 COCCOc1cc(c(cc1F)[N+](=O)[O-])Cl 34a_100015761126_100011201679 [0,2,0,0,0,0|2,0,0]=4 4060 B16R1.5465 COCCOc1cc(c(cc1F)[N+](=O)[O-])Cl 7a_100015761126_100000233755 [0,2,0,0,0,0|2,0,0]=4 4061 B16R1.5465 COCCOc1cc(c(cc1F)[N+](=O)[O-])F 34a_100000042863_100011201679 [0,2,0,0,0,0|2,0,0]=4 4062 B16R1.5465 COCCOc1cc(c(cc1F)[N+](=O)[O-])F 7a_100000042863_100000233755 [0,2,0,0,0,0|2,0,0]=4 4063 B16R1.5465 COCCOc1cc(c(cc1N)[N+](=O)[O-])F 34a_200015898590_100011201679 [0,2,0,0,0,0|2,0,0]=4 4064 B16R1.5465 COCCOc1cc(c(cc1N)[N+](=O)[O-])F 7a_200015898590_100000233755 [0,2,0,0,0,0|2,0,0]=4 4065 B16R1.5465 CSCCOc1cc(c(cc1Br)[N+](=O)[O-])C 7a_200012359939_100000212216 [0,2,0,0,0,0|2,0,0]=4 4066 B16R1.5465 CSCCOc1cc(c(cc1C)[N+](=O)[O-])C 7a_100000736305_100000212216 [0,2,0,0,0,0|2,0,0]=4 4067 B16R1.5465 CSCCOc1cc(c(cc1Cl)[N+](=O)[O-])C 34a_200000693809_100000212216 [0,2,0,0,0,0|2,0,0]=4 4068 B16R1.5465 CSCCOc1cc(c(cc1Cl)[N+](=O)[O-])C 7a_200000693809_100000212216 [0,2,0,0,0,0|2,0,0]=4 4069 B16R1.5465 CSCCOc1cc(c(cc1Cl)[N+](=O)[O-])Cl 7a_100012354867_100000212216 [0,2,0,0,0,0|2,0,0]=4 4070 B16R1.5465 CSCCOc1cc(c(cc1F)[N+](=O)[O-])Cl 34a_100015761126_100000212216 [0,2,0,0,0,0|2,0,0]=4 4071 B16R1.5465 CSCCOc1cc(c(cc1F)[N+](=O)[O-])Cl 7a_100015761126_100000212216 [0,2,0,0,0,0|2,0,0]=4 4072 B16R1.5465 CSCCOc1cc(c(cc1F)[N+](=O)[O-])F 34a_100000042863_100000212216 [0,2,0,0,0,0|2,0,0]=4 4073 B16R1.5465 CSCCOc1cc(c(cc1F)[N+](=O)[O-])F 7a_100000042863_100000212216 [0,2,0,0,0,0|2,0,0]=4 4074 B16R1.5465 CSCCOc1cc(c(cc1N)[N+](=O)[O-])F 34a_200015898590_100000212216 [0,2,0,0,0,0|2,0,0]=4 4075 B16R1.5465 CSCCOc1cc(c(cc1N)[N+](=O)[O-])F 7a_200015898590_100000212216 [0,2,0,0,0,0|2,0,0]=4 4076 B16R1.5465 Cc1cc(c(cc1NCCCF)Br)[N+](=O)[O-] 7a_200010826999_100011934791 [0,2,0,0,0,0|2,0,0]=4 4077 B16R1.5465 Cc1cc(c(cc1NCCCF)C)[N+](=O)[O-] 7a_106256046237_100011934791 [0,2,0,0,0,0|2,0,0]=4 4078 B16R1.5465 Cc1cc(c(cc1NCCCF)Cl)[N+](=O)[O-] 7a_100000701678_100011934791 [0,2,0,0,0,0|2,0,0]=4 4079 B16R1.5465 Cc1cc(c(cc1NCCCF)F)[N+](=O)[O-] 7a_100000085368_100011934791 [0,2,0,0,0,0|2,0,0]=4 4080 B16R1.5465 Cc1cc(c(cc1NCCCO)Br)[N+](=O)[O-] 7a_200010826999_100011215043 [0,2,0,0,0,0|1,0,0]=3 4081 B16R1.5465 Cc1cc(c(cc1NCCCO)C)[N+](=O)[O-] 7a_106256046237_100011215043 [0,2,0,0,0,0|1,0,0]=3 4082 B16R1.5465 Cc1cc(c(cc1NCCCO)Cl)[N+](=O)[O-] 7a_100000701678_100011215043 [0,2,0,0,0,0|1,0,0]=3 4083 B16R1.5465 Cc1cc(c(cc1NCCCO)F)[N+](=O)[O-] 7a_100000085368_100011215043 [0,2,0,0,0,0|1,0,0]=3 4084 B16R1.5465 Cc1cc(c(cc1OCCC#N)C)[N+](=O)[O-] 7a_100000736305_100000184422 [0,2,0,0,0,0|1,0,1]=4 4085 B16R1.5465 Cc1cc(c(cc1OCCCF)C)[N+](=O)[O-] 7a_100000736305_100011934791 [0,2,0,0,0,0|1,0,0]=3 4086 B16R1.5465 Cc1cc(c(cc1OCCCO)C)[N+](=O)[O-] 7a_100000736305_100011215043 [0,2,0,0,0,0|0,0,0]=2 4087 B16R1.5465 Cc1cc(c(cc1[N+](=O)[O-])Br)OCCC#N 7a_200012359939_100000184422 [0,2,0,0,0,0|1,0,1]=4 4088 B16R1.5465 Cc1cc(c(cc1[N+](=O)[O-])Br)OCCCF 7a_200012359939_100011934791 [0,2,0,0,0,0|1,0,0]=3 4089 B16R1.5465 Cc1cc(c(cc1[N+](=O)[O-])Br)OCCCO 7a_200012359939_100011215043 [0,2,0,0,0,0|0,0,0]=2 4090 B16R1.5465 Cc1cc(c(cc1[N+](=O)[O-])Cl)OCCC#N 7a_200000693809_100000184422 [0,2,0,0,0,0|1,0,1]=4 4091 B16R1.5465 Cc1cc(c(cc1[N+](=O)[O-])Cl)OCCCF 34a_200000693809_100011934791 [0,2,0,0,0,0|1,0,0]=3 4092 B16R1.5465 Cc1cc(c(cc1[N+](=O)[O-])Cl)OCCCF 7a_200000693809_100011934791 [0,2,0,0,0,0|1,0,0]=3 4093 B16R1.5465 Cc1cc(c(cc1[N+](=O)[O-])Cl)OCCCO 34a_200000693809_100000230001 [0,2,0,0,0,0|0,0,0]=2 4094 B16R1.5465 Cc1cc(c(cc1[N+](=O)[O-])Cl)OCCCO 7a_200000693809_100011215043 [0,2,0,0,0,0|0,0,0]=2 4095 B16R1.5465 N#CCCOc1cc(c(cc1Cl)[N+](=O)[O-])Cl 7a_100012354867_100000184422 [0,2,0,0,0,0|1,0,1]=4 4096 B16R1.5465 N#CCCOc1cc(c(cc1F)[N+](=O)[O-])Cl 7a_100015761126_100000184422 [0,2,0,0,0,0|1,0,1]=4 4097 B16R1.5465 N#CCCOc1cc(c(cc1F)[N+](=O)[O-])F 7a_100000042863_100000184422 [0,2,0,0,0,0|1,0,1]=4 4098 B16R1.5465 N#CCCOc1cc(c(cc1N)[N+](=O)[O-])F 7a_200015898590_100000184422 [0,2,0,0,0,0|1,0,1]=4 4099 B16R1.5465 Nc1cc(c(cc1OCCCF)F)[N+](=O)[O-] 34a_200015898590_100011934791 [0,2,0,0,0,0|1,0,0]=3 4100 B16R1.5465 Nc1cc(c(cc1OCCCF)F)[N+](=O)[O-] 7a_200015898590_100011934791 [0,2,0,0,0,0|1,0,0]=3 4101 B16R1.5465 Nc1cc(c(cc1OCCCO)F)[N+](=O)[O-] 34a_200015898590_100000230001 [0,2,0,0,0,0|0,0,0]=2 4102 B16R1.5465 Nc1cc(c(cc1OCCCO)F)[N+](=O)[O-] 7a_200015898590_100011215043 [0,2,0,0,0,0|0,0,0]=2 4103 B16R1.5465 O=[N+]([O-])c1cc(c(cc1Cl)NCCCF)Cl 7a_100000033050_100011934791 [0,2,0,0,0,0|2,0,0]=4 4104 B16R1.5465 O=[N+]([O-])c1cc(c(cc1Cl)NCCCO)Cl 7a_100000033050_100011215043 [0,2,0,0,0,0|1,0,0]=3 4105 B16R1.5465 O=[N+]([O-])c1cc(c(cc1Cl)OCCCF)Cl 7a_100012354867_100011934791 [0,2,0,0,0,0|1,0,0]=3 4106 B16R1.5465 O=[N+]([O-])c1cc(c(cc1Cl)OCCCF)F 34a_100015761126_100011934791 [0,2,0,0,0,0|1,0,0]=3 4107 B16R1.5465 O=[N+]([O-])c1cc(c(cc1Cl)OCCCF)F 7a_100015761126_100011934791 [0,2,0,0,0,0|1,0,0]=3 4108 B16R1.5465 O=[N+]([O-])c1cc(c(cc1Cl)OCCCO)Cl 7a_100012354867_100011215043 [0,2,0,0,0,0|0,0,0]=2 4109 B16R1.5465 O=[N+]([O-])c1cc(c(cc1Cl)OCCCO)F 34a_100015761126_100000230001 [0,2,0,0,0,0|0,0,0]=2 4110 B16R1.5465 O=[N+]([O-])c1cc(c(cc1Cl)OCCCO)F 7a_100015761126_100011215043 [0,2,0,0,0,0|0,0,0]=2 4111 B16R1.5465 O=[N+]([O-])c1cc(c(cc1F)NCCCF)Br 7a_100010371101_100011934791 [0,2,0,0,0,0|2,0,0]=4 4112 B16R1.5465 O=[N+]([O-])c1cc(c(cc1F)NCCCF)Cl 7a_100011218492_100011934791 [0,2,0,0,0,0|2,0,0]=4 4113 B16R1.5465 O=[N+]([O-])c1cc(c(cc1F)NCCCF)F 34a_100000071221_100011934791 [0,2,0,0,0,0|2,0,0]=4 4114 B16R1.5465 O=[N+]([O-])c1cc(c(cc1F)NCCCF)F 7a_100000071221_100011934791 [0,2,0,0,0,0|2,0,0]=4 4115 B16R1.5465 O=[N+]([O-])c1cc(c(cc1F)NCCCO)Br 7a_100010371101_100011215043 [0,2,0,0,0,0|1,0,0]=3 4116 B16R1.5465 O=[N+]([O-])c1cc(c(cc1F)NCCCO)Cl 7a_100011218492_100011215043 [0,2,0,0,0,0|1,0,0]=3 4117 B16R1.5465 O=[N+]([O-])c1cc(c(cc1F)NCCCO)F 34a_100000071221_100000230001 [0,2,0,0,0,0|1,0,0]=3 4118 B16R1.5465 O=[N+]([O-])c1cc(c(cc1F)NCCCO)F 7a_100000071221_100011215043 [0,2,0,0,0,0|1,0,0]=3 4119 B16R1.5465 O=[N+]([O-])c1cc(c(cc1F)OCCCF)F 34a_100000042863_100011934791 [0,2,0,0,0,0|1,0,0]=3 4120 B16R1.5465 O=[N+]([O-])c1cc(c(cc1F)OCCCF)F 7a_100000042863_100011934791 [0,2,0,0,0,0|1,0,0]=3 4121 B16R1.5465 O=[N+]([O-])c1cc(c(cc1F)OCCCO)F 34a_100000042863_100000230001 [0,2,0,0,0,0|0,0,0]=2 4122 B16R1.5465 O=[N+]([O-])c1cc(c(cc1F)OCCCO)F 7a_100000042863_100011215043 [0,2,0,0,0,0|0,0,0]=2 4123 B16R1.11035 C=C(C)CCOc1ccc(cc1Br)[N+](=O)[O-] 34a_100000756651_100000730704 [0,2,0,0,0,0|1,0,1]=4 4124 B16R1.11035 C=C(C)CCOc1ccc(cc1Br)[N+](=O)[O-] 7a_100000756651_100000730704 [0,2,0,0,0,0|1,0,1]=4 4125 B16R1.11035 C=C(C)CCOc1ccc(cc1C)[N+](=O)[O-] 34a_100000744956_100000730704 [0,2,0,0,0,0|1,0,1]=4 4126 B16R1.11035 C=C(C)CCOc1ccc(cc1C)[N+](=O)[O-] 7a_100000744956_100000730704 [0,2,0,0,0,0|1,0,1]=4 4127 B16R1.11035 C=C(C)CCOc1ccc(cc1Cl)[N+](=O)[O-] 34a_100000206008_100000730704 [0,2,0,0,0,0|1,0,1]=4 4128 B16R1.11035 C=C(C)CCOc1ccc(cc1Cl)[N+](=O)[O-] 7a_100000206008_100000730704 [0,2,0,0,0,0|1,0,1]=4 4129 B16R1.11035 C=C(C)CCOc1ccc(cc1F)[N+](=O)[O-] 34a_100000739697_100000730704 [0,2,0,0,0,0|1,0,1]=4 4130 B16R1.11035 C=C(C)CCOc1ccc(cc1F)[N+](=O)[O-] 7a_100000739697_100000730704 [0,2,0,0,0,0|1,0,1]=4 4131 B16R1.11035 C=C(C)CCOc1ccc(cc1I)[N+](=O)[O-] 34a_100012047213_100000730704 [0,2,0,0,0,0|1,0,1]=4 4132 B16R1.11035 C=C(C)CCOc1ccc(cc1I)[N+](=O)[O-] 7a_100012047213_100000730704 [0,2,0,0,0,0|1,0,1]=4 4133 B16R1.11035 C=C(C)CCOc1ccc(cc1N)[N+](=O)[O-] 34a_100000181223_100000730704 [0,2,0,0,0,0|1,0,1]=4 4134 B16R1.11035 C=C(C)CCOc1ccc(cc1N)[N+](=O)[O-] 7a_100000181223_100000730704 [0,2,0,0,0,0|1,0,1]=4 4135 B16R1.11035 CC(=O)CCOc1ccc(cc1Br)[N+](=O)[O-] 7a_100000756651_100000053229 [0,2,0,0,0,0|0,0,2]=4 4136 B16R1.11035 CC(=O)CCOc1ccc(cc1C)[N+](=O)[O-] 7a_100000744956_100000053229 [0,2,0,0,0,0|0,0,2]=4 4137 B16R1.11035 CC(=O)CCOc1ccc(cc1Cl)[N+](=O)[O-] 7a_100000206008_100000053229 [0,2,0,0,0,0|0,0,2]=4 4138 B16R1.11035 CC(=O)CCOc1ccc(cc1F)[N+](=O)[O-] 7a_100000739697_100000053229 [0,2,0,0,0,0|0,0,2]=4 4139 B16R1.11035 CC(=O)CCOc1ccc(cc1I)[N+](=O)[O-] 7a_100012047213_100000053229 [0,2,0,0,0,0|0,0,2]=4 4140 B16R1.11035 CC(=O)CCOc1ccc(cc1N)[N+](=O)[O-] 7a_100000181223_100000053229 [0,2,0,0,0,0|0,0,2]=4 4141 B16R1.11035 CC(=O)c1ccc(c(c1)Br)OCCC(C)O 34a_100011772453_100012276601 [0,2,0,0,0,0|2,0,0]=4 4142 B16R1.11035 CC(=O)c1ccc(c(c1)Br)OCCC(C)O 7a_100011772453_100012276601 [0,2,0,0,0,0|2,0,0]=4 4143 B16R1.11035 CC(=O)c1ccc(c(c1)C)OCCC(C)O 34a_100000188726_100012276601 [0,2,0,0,0,0|2,0,0]=4 4144 B16R1.11035 CC(=O)c1ccc(c(c1)C)OCCC(C)O 7a_100000188726_100012276601 [0,2,0,0,0,0|2,0,0]=4 4145 B16R1.11035 CC(=O)c1ccc(c(c1)Cl)OCCC(C)O 34a_100000188625_100012276601 [0,2,0,0,0,0|2,0,0]=4 4146 B16R1.11035 CC(=O)c1ccc(c(c1)Cl)OCCC(C)O 7a_100000188625_100012276601 [0,2,0,0,0,0|2,0,0]=4 4147 B16R1.11035 CC(=O)c1ccc(c(c1)F)OCCC(C)O 34a_100000751691_100012276601 [0,2,0,0,0,0|2,0,0]=4 4148 B16R1.11035 CC(=O)c1ccc(c(c1)F)OCCC(C)O 7a_100000751691_100012276601 [0,2,0,0,0,0|2,0,0]=4 4149 B16R1.11035 CC(=O)c1ccc(c(c1)N)OCCC(C)O 34a_100000117292_100012276601 [0,2,0,0,0,0|2,0,0]=4 4150 B16R1.11035 CC(=O)c1ccc(c(c1)N)OCCC(C)O 7a_100000117292_100012276601 [0,2,0,0,0,0|2,0,0]=4 4151 B16R1.11035 CC(C)CCNc1ccc(cc1Cl)[N+](=O)[O-] 34a_100000185723_100000210312 [0,2,0,0,0,0|2,0,0]=4 4152 B16R1.11035 CC(C)CCNc1ccc(cc1F)[N+](=O)[O-] 34a_100000745739_100000210312 [0,2,0,0,0,0|2,0,0]=4 4153 B16R1.11035 CC(C)CCOc1ccc(cc1Br)[N+](=O)[O-] 34a_100000756651_100000210312 [0,2,0,0,0,0|1,0,0]=3 4154 B16R1.11035 CC(C)CCOc1ccc(cc1Br)[N+](=O)[O-] 7a_100000756651_100000210626 [0,2,0,0,0,0|1,0,0]=3 4155 B16R1.11035 CC(C)CCOc1ccc(cc1Cl)[N+](=O)[O-] 34a_100000206008_100000210312 [0,2,0,0,0,0|1,0,0]=3 4156 B16R1.11035 CC(C)CCOc1ccc(cc1Cl)[N+](=O)[O-] 7a_100000206008_100000210626 [0,2,0,0,0,0|1,0,0]=3 4157 B16R1.11035 CC(C)CCOc1ccc(cc1F)[N+](=O)[O-] 34a_100000739697_100000210312 [0,2,0,0,0,0|1,0,0]=3 4158 B16R1.11035 CC(C)CCOc1ccc(cc1F)[N+](=O)[O-] 7a_100000739697_100000210626 [0,2,0,0,0,0|1,0,0]=3 4159 B16R1.11035 CC(C)CCOc1ccc(cc1I)[N+](=O)[O-] 34a_100012047213_100000210312 [0,2,0,0,0,0|1,0,0]=3 4160 B16R1.11035 CC(C)CCOc1ccc(cc1I)[N+](=O)[O-] 7a_100012047213_100000210626 [0,2,0,0,0,0|1,0,0]=3 4161 B16R1.11035 CC(C)CCOc1ccc(cc1N)[N+](=O)[O-] 34a_100000181223_100000210312 [0,2,0,0,0,0|1,0,0]=3 4162 B16R1.11035 CC(C)CCOc1ccc(cc1N)[N+](=O)[O-] 7a_100000181223_100000210626 [0,2,0,0,0,0|1,0,0]=3 4163 B16R1.11035 CC(C)CCOc1ncc(cc1F)[N+](=O)[O-] 34a_100000100219_100000210312 [0,2,0,0,0,0|2,0,0]=4 4164 B16R1.11035 CC(C)OCOc1ccc(cc1Br)[N+](=O)[O-] 34a_100000756651_100000709892 [0,2,0,0,0,0|2,0,0]=4 4165 B16R1.11035 CC(C)OCOc1ccc(cc1Cl)[N+](=O)[O-] 34a_100000206008_100000709892 [0,2,0,0,0,0|2,0,0]=4 4166 B16R1.11035 CC(C)OCOc1ccc(cc1F)[N+](=O)[O-] 34a_100000739697_100000709892 [0,2,0,0,0,0|2,0,0]=4 4167 B16R1.11035 CC(C)OCOc1ccc(cc1I)[N+](=O)[O-] 34a_100012047213_100000709892 [0,2,0,0,0,0|2,0,0]=4 4168 B16R1.11035 CC(C)OCOc1ccc(cc1N)[N+](=O)[O-] 34a_100000181223_100000709892 [0,2,0,0,0,0|2,0,0]=4 4169 B16R1.11035 CC(O)CCNc1ccc(cc1Cl)[N+](=O)[O-] 34a_100000185723_100012276601 [0,2,0,0,0,0|1,0,0]=3 4170 B16R1.11035 CC(O)CCNc1ccc(cc1F)[N+](=O)[O-] 34a_100000745739_100012276601 [0,2,0,0,0,0|1,0,0]=3 4171 B16R1.11035 CC(O)CCOc1ccc(cc1Br)[N+](=O)[O-] 34a_100000756651_100012276601 [0,2,0,0,0,0|0,0,0]=2 4172 B16R1.11035 CC(O)CCOc1ccc(cc1Br)[N+](=O)[O-] 7a_100000756651_100012276601 [0,2,0,0,0,0|0,0,0]=2 4173 B16R1.11035 CC(O)CCOc1ccc(cc1Cl)C(=O)N 34a_200000192832_100012276601 [0,2,0,0,0,0|2,0,0]=4 4174 B16R1.11035 CC(O)CCOc1ccc(cc1Cl)C(=O)N 7a_200000192832_100012276601 [0,2,0,0,0,0|2,0,0]=4 4175 B16R1.11035 CC(O)CCOc1ccc(cc1Cl)[N+](=O)[O-] 34a_100000206008_100012276601 [0,2,0,0,0,0|0,0,0]=2 4176 B16R1.11035 CC(O)CCOc1ccc(cc1Cl)[N+](=O)[O-] 7a_100000206008_100012276601 [0,2,0,0,0,0|0,0,0]=2 4177 B16R1.11035 CC(O)CCOc1ccc(cc1F)[N+](=O)[O-] 34a_100000739697_100012276601 [0,2,0,0,0,0|0,0,0]=2 4178 B16R1.11035 CC(O)CCOc1ccc(cc1F)[N+](=O)[O-] 7a_100000739697_100012276601 [0,2,0,0,0,0|0,0,0]=2 4179 B16R1.11035 CC(O)CCOc1ccc(cc1I)[N+](=O)[O-] 34a_100012047213_100012276601 [0,2,0,0,0,0|0,0,0]=2 4180 B16R1.11035 CC(O)CCOc1ccc(cc1I)[N+](=O)[O-] 7a_100012047213_100012276601 [0,2,0,0,0,0|0,0,0]=2 4181 B16R1.11035 CC(O)CCOc1ccc(cc1N)[N+](=O)[O-] 34a_100000181223_100012276601 [0,2,0,0,0,0|0,0,0]=2 4182 B16R1.11035 CC(O)CCOc1ccc(cc1N)[N+](=O)[O-] 7a_100000181223_100012276601 [0,2,0,0,0,0|0,0,0]=2 4183 B16R1.11035 CC(O)CCOc1ncc(cc1F)[N+](=O)[O-] 34a_100000100219_100012276601 [0,2,0,0,0,0|1,0,0]=3 4184 B16R1.11035 CC(O)CNCc1ccc(cc1Br)[N+](=O)[O-] 2230a_100000210904_100000741879 [0,2,0,0,0,0|2,0,0]=4 4185 B16R1.11035 CC(O)CNCc1ccc(cc1Br)[N+](=O)[O-] 270004a_100000210904_100011202981 [0,2,0,0,0,0|2,0,0]=4 4186 B16R1.11035 CC(O)CNCc1ccc(cc1Br)[N+](=O)[O-] 34a_100000210904_100000741879 [0,2,0,0,0,0|2,0,0]=4 4187 B16R1.11035 CC(O)CNCc1ccc(cc1Cl)[N+](=O)[O-] 2230a_100000210904_100000747184 [0,2,0,0,0,0|2,0,0]=4 4188 B16R1.11035 CC(O)CNCc1ccc(cc1Cl)[N+](=O)[O-] 270004a_100000210904_100000755334 [0,2,0,0,0,0|2,0,0]=4 4189 B16R1.11035 CC(O)CNCc1ccc(cc1Cl)[N+](=O)[O-] 34a_100000210904_100000747184 [0,2,0,0,0,0|2,0,0]=4 4190 B16R1.11035 CC(O)CNCc1ccc(cc1F)[N+](=O)[O-] 2230a_100000210904_100000759423 [0,2,0,0,0,0|2,0,0]=4 4191 B16R1.11035 CC(O)CNCc1ccc(cc1F)[N+](=O)[O-] 34a_100000210904_100000759423 [0,2,0,0,0,0|2,0,0]=4 4192 B16R1.11035 CC(O)CNCc1ccc(cc1F)[N+](=O)[O-] 34a_100016989035_100011218427 [0,2,0,0,0,0|2,0,0]=4 4193 B16R1.11035 CC(O)COCc1ccc(cc1Cl)[N+](=O)[O-] 34a_100000694850_100011218427 [0,2,0,0,0,0|2,0,0]=4 4194 B16R1.11035 CC(O)COCc1ccc(cc1Cl)[N+](=O)[O-] 7a_100000694850_100011218427 [0,2,0,0,0,0|2,0,0]=4 4195 B16R1.11035 CC(O)COCc1ccc(cc1F)[N+](=O)[O-] 34a_100012002375_100011218427 [0,2,0,0,0,0|2,0,0]=4 4196 B16R1.11035 CC(O)COCc1ccc(cc1F)[N+](=O)[O-] 7a_100012002375_100011218427 [0,2,0,0,0,0|2,0,0]=4 4197 B16R1.11035 CC(O)COCc1ccc(cc1I)[N+](=O)[O-] 7a_200010150283_100011218427 [0,2,0,0,0,0|2,0,0]=4 4198 B16R1.11035 CC(O)COCc1ccc(cc1N)[N+](=O)[O-] 34a_100011934201_100011218427 [0,2,0,0,0,0|2,0,0]=4 4199 B16R1.11035 CC(O)CSCc1ccc(cc1Br)[N+](=O)[O-] 62a_100000741879_100011218427 [0,2,0,0,0,0|2,0,0]=4 4200 B16R1.11035 CN(C)CCOc1ccc(cc1Br)[N+](=O)[O-] 7a_100000756651_100000755713 [0,2,0,0,0,0|2,0,0]=4 4201 B16R1.11035 CN(C)CCOc1ccc(cc1Cl)[N+](=O)[O-] 7a_100000206008_100000755713 [0,2,0,0,0,0|2,0,0]=4 4202 B16R1.11035 CN(C)CCOc1ccc(cc1F)[N+](=O)[O-] 7a_100000739697_100000755713 [0,2,0,0,0,0|2,0,0]=4 4203 B16R1.11035 CN(C)CCOc1ccc(cc1I)[N+](=O)[O-] 7a_100012047213_100000755713 [0,2,0,0,0,0|2,0,0]=4 4204 B16R1.11035 CN(C)CCOc1ccc(cc1N)[N+](=O)[O-] 7a_100000181223_100000755713 [0,2,0,0,0,0|2,0,0]=4 4205 B16R1.11035 C[C@@H](O)CNCc1ccc(cc1F)[N+](=O)[O-] 34a_100016989035_100009817552 [0,2,0,0,0,0|2,0,0]=4 4206 B16R1.11035 C[C@@H](O)COCc1ccc(cc1Cl)[N+](=O)[O-] 34a_100000694850_100009817552 [0,2,0,0,0,0|2,0,0]=4 4207 B16R1.11035 C[C@@H](O)COCc1ccc(cc1Cl)[N+](=O)[O-] 7a_100000694850_100009817552 [0,2,0,0,0,0|2,0,0]=4 4208 B16R1.11035 C[C@@H](O)COCc1ccc(cc1F)[N+](=O)[O-] 34a_100012002375_100009817552 [0,2,0,0,0,0|2,0,0]=4 4209 B16R1.11035 C[C@@H](O)COCc1ccc(cc1F)[N+](=O)[O-] 7a_100012002375_100009817552 [0,2,0,0,0,0|2,0,0]=4 4210 B16R1.11035 C[C@@H](O)COCc1ccc(cc1I)[N+](=O)[O-] 7a_200010150283_100009817552 [0,2,0,0,0,0|2,0,0]=4 4211 B16R1.11035 C[C@@H](O)COCc1ccc(cc1N)[N+](=O)[O-] 34a_100011934201_100009817552 [0,2,0,0,0,0|2,0,0]=4 4212 B16R1.11035 C[C@@H](O)CSCc1ccc(cc1Br)[N+](=O)[O-] 62a_100000741879_100009817552 [0,2,0,0,0,0|2,0,0]=4 4213 B16R1.11035 Cc1cc(ccc1CNCC(C)O)[N+](=O)[O-] 207a_100000210904_100000695237 [0,2,0,0,0,0|2,0,0]=4 4214 B16R1.11035 Cc1cc(ccc1CNCC(C)O)[N+](=O)[O-] 2230a_100000210904_100010218038 [0,2,0,0,0,0|2,0,0]=4 4215 B16R1.11035 Cc1cc(ccc1CNCC(C)O)[N+](=O)[O-] 34a_100000210904_100010218038 [0,2,0,0,0,0|2,0,0]=4 4216 B16R1.11035 Cc1cc(ccc1COCC(C)O)[N+](=O)[O-] 34a_100009883322_100011218427 [0,2,0,0,0,0|2,0,0]=4 4217 B16R1.11035 Cc1cc(ccc1COCC(C)O)[N+](=O)[O-] 7a_100009883322_100011218427 [0,2,0,0,0,0|2,0,0]=4 4218 B16R1.11035 Cc1cc(ccc1COC[C@@H](C)O)[N+](=O)[O-] 34a_100009883322_100009817552 [0,2,0,0,0,0|2,0,0]=4 4219 B16R1.11035 Cc1cc(ccc1COC[C@@H](C)O)[N+](=O)[O-] 7a_100009883322_100009817552 [0,2,0,0,0,0|2,0,0]=4 4220 B16R1.11035 Cc1cc(ccc1NCCC(C)C)[N+](=O)[O-] 2230a_100000184110_100000210312 [0,2,0,0,0,0|2,0,0]=4 4221 B16R1.11035 Cc1cc(ccc1NCCC(C)C)[N+](=O)[O-] 34a_100000184110_100000210312 [0,2,0,0,0,0|2,0,0]=4 4222 B16R1.11035 Cc1cc(ccc1NCCC(C)C)[N+](=O)[O-] 7a_100000184110_100000210626 [0,2,0,0,0,0|2,0,0]=4 4223 B16R1.11035 Cc1cc(ccc1NCCC(C)O)[N+](=O)[O-] 2230a_100000184110_100012276601 [0,2,0,0,0,0|1,0,0]=3 4224 B16R1.11035 Cc1cc(ccc1NCCC(C)O)[N+](=O)[O-] 34a_100000184110_100012276601 [0,2,0,0,0,0|1,0,0]=3 4225 B16R1.11035 Cc1cc(ccc1NCCC(C)O)[N+](=O)[O-] 7a_100000184110_100012276601 [0,2,0,0,0,0|1,0,0]=3 4226 B16R1.11035 Cc1cc(ccc1OCCC(=O)N)[N+](=O)[O-] 34a_100000744956_100000731001 [0,2,0,0,0,0|0,0,2]=4 4227 B16R1.11035 Cc1cc(ccc1OCCC(=O)N)[N+](=O)[O-] 7a_100000744956_100000744528 [0,2,0,0,0,0|0,0,2]=4 4228 B16R1.11035 Cc1cc(ccc1OCCC(C)C)[N+](=O)[O-] 34a_100000744956_100000210312 [0,2,0,0,0,0|1,0,0]=3 4229 B16R1.11035 Cc1cc(ccc1OCCC(C)C)[N+](=O)[O-] 7a_100000744956_100000210626 [0,2,0,0,0,0|1,0,0]=3 4230 B16R1.11035 Cc1cc(ccc1OCCC(C)O)[N+](=O)[O-] 34a_100000744956_100012276601 [0,2,0,0,0,0|0,0,0]=2 4231 B16R1.11035 Cc1cc(ccc1OCCC(C)O)[N+](=O)[O-] 7a_100000744956_100012276601 [0,2,0,0,0,0|0,0,0]=2 4232 B16R1.11035 Cc1cc(ccc1OCCN(C)C)[N+](=O)[O-] 7a_100000744956_100000755713 [0,2,0,0,0,0|2,0,0]=4 4233 B16R1.11035 Cc1cc(ccc1OCOC(C)C)[N+](=O)[O-] 34a_100000744956_100000709892 [0,2,0,0,0,0|2,0,0]=4 4234 B16R1.11035 Cc1cc(ncc1OCCC(C)C)[N+](=O)[O-] 7a_100015695027_100000210626 [0,2,0,0,0,0|2,0,0]=4 4235 B16R1.11035 Cc1cc(ncc1OCCC(C)O)[N+](=O)[O-] 7a_100015695027_100012276601 [0,2,0,0,0,0|1,0,0]=3 4236 B16R1.11035 Cc1nc(ccc1OCCC(C)C)[N+](=O)[O-] 7a_100009862445_100000210626 [0,2,0,0,0,0|2,0,0]=4 4237 B16R1.11035 Cc1nc(ccc1OCCC(C)O)[N+](=O)[O-] 7a_100009862445_100012276601 [0,2,0,0,0,0|1,0,0]=3 4238 B16R1.11035 NC(=O)CCOc1ccc(cc1Br)[N+](=O)[O-] 34a_100000756651_100000731001 [0,2,0,0,0,0|0,0,2]=4 4239 B16R1.11035 NC(=O)CCOc1ccc(cc1Br)[N+](=O)[O-] 7a_100000756651_100000744528 [0,2,0,0,0,0|0,0,2]=4 4240 B16R1.11035 NC(=O)CCOc1ccc(cc1Cl)[N+](=O)[O-] 34a_100000206008_100000731001 [0,2,0,0,0,0|0,0,2]=4 4241 B16R1.11035 NC(=O)CCOc1ccc(cc1Cl)[N+](=O)[O-] 7a_100000206008_100000744528 [0,2,0,0,0,0|0,0,2]=4 4242 B16R1.11035 NC(=O)CCOc1ccc(cc1F)[N+](=O)[O-] 34a_100000739697_100000731001 [0,2,0,0,0,0|0,0,2]=4 4243 B16R1.11035 NC(=O)CCOc1ccc(cc1F)[N+](=O)[O-] 7a_100000739697_100000744528 [0,2,0,0,0,0|0,0,2]=4 4244 B16R1.11035 NC(=O)CCOc1ccc(cc1I)[N+](=O)[O-] 34a_100012047213_100000731001 [0,2,0,0,0,0|0,0,2]=4 4245 B16R1.11035 NC(=O)CCOc1ccc(cc1I)[N+](=O)[O-] 7a_100012047213_100000744528 [0,2,0,0,0,0|0,0,2]=4 4246 B16R1.11035 NC(=O)CCOc1ccc(cc1N)[N+](=O)[O-] 34a_100000181223_100000731001 [0,2,0,0,0,0|0,0,2]=4 4247 B16R1.11035 NC(=O)CCOc1ccc(cc1N)[N+](=O)[O-] 7a_100000181223_100000744528 [0,2,0,0,0,0|0,0,2]=4 4248 B16R1.13673 CC(=O)c1ccc(c(c1)Br)OC(C)CCO 34a_100011772453_100009893172 [0,2,0,0,0,0|2,0,0]=4 4249 B16R1.13673 CC(=O)c1ccc(c(c1)Br)OC(C)CCO 7a_100011772453_100009893172 [0,2,0,0,0,0|2,0,0]=4 4250 B16R1.13673 CC(=O)c1ccc(c(c1)C)OC(C)CCO 34a_100000188726_100009893172 [0,2,0,0,0,0|2,0,0]=4 4251 B16R1.13673 CC(=O)c1ccc(c(c1)C)OC(C)CCO 7a_100000188726_100009893172 [0,2,0,0,0,0|2,0,0]=4 4252 B16R1.13673 CC(=O)c1ccc(c(c1)Cl)OC(C)CCO 34a_100000188625_100009893172 [0,2,0,0,0,0|2,0,0]=4 4253 B16R1.13673 CC(=O)c1ccc(c(c1)Cl)OC(C)CCO 7a_100000188625_100009893172 [0,2,0,0,0,0|2,0,0]=4 4254 B16R1.13673 CC(=O)c1ccc(c(c1)F)OC(C)CCO 34a_100000751691_100009893172 [0,2,0,0,0,0|2,0,0]=4 4255 B16R1.13673 CC(=O)c1ccc(c(c1)F)OC(C)CCO 7a_100000751691_100009893172 [0,2,0,0,0,0|2,0,0]=4 4256 B16R1.13673 CC(=O)c1ccc(c(c1)N)OC(C)CCO 34a_100000117292_100009893172 [0,2,0,0,0,0|2,0,0]=4 4257 B16R1.13673 CC(=O)c1ccc(c(c1)N)OC(C)CCO 7a_100000117292_100009893172 [0,2,0,0,0,0|2,0,0]=4 4258 B16R1.13673 CC(CC#N)Oc1ccc(cc1Br)[N+](=O)[O-] 7a_100000756651_100009813641 [0,2,0,0,0,0|1,0,1]=4 4259 B16R1.13673 CC(CC#N)Oc1ccc(cc1Cl)[N+](=O)[O-] 7a_100000206008_100009813641 [0,2,0,0,0,0|1,0,1]=4 4260 B16R1.13673 CC(CC#N)Oc1ccc(cc1F)[N+](=O)[O-] 7a_100000739697_100009813641 [0,2,0,0,0,0|1,0,1]=4 4261 B16R1.13673 CC(CC#N)Oc1ccc(cc1I)[N+](=O)[O-] 7a_100012047213_100009813641 [0,2,0,0,0,0|1,0,1]=4 4262 B16R1.13673 CC(CC#N)Oc1ccc(cc1N)[N+](=O)[O-] 7a_100000181223_100009813641 [0,2,0,0,0,0|1,0,1]=4 4263 B16R1.13673 CC(CCO)Nc1ccc(cc1Cl)[N+](=O)[O-] 34a_100000185723_100009893172 [0,2,0,0,0,0|1,0,0]=3 4264 B16R1.13673 CC(CCO)Nc1ccc(cc1F)[N+](=O)[O-] 34a_100000745739_100009893172 [0,2,0,0,0,0|1,0,0]=3 4265 B16R1.13673 CC(CCO)Oc1ccc(cc1Br)[N+](=O)[O-] 34a_100000756651_100009893172 [0,2,0,0,0,0|0,0,0]=2 4266 B16R1.13673 CC(CCO)Oc1ccc(cc1Br)[N+](=O)[O-] 7a_100000756651_100009893172 [0,2,0,0,0,0|0,0,0]=2 4267 B16R1.13673 CC(CCO)Oc1ccc(cc1Cl)C(=O)N 34a_200000192832_100009893172 [0,2,0,0,0,0|2,0,0]=4 4268 B16R1.13673 CC(CCO)Oc1ccc(cc1Cl)C(=O)N 7a_200000192832_100009893172 [0,2,0,0,0,0|2,0,0]=4 4269 B16R1.13673 CC(CCO)Oc1ccc(cc1Cl)[N+](=O)[O-] 34a_100000206008_100009893172 [0,2,0,0,0,0|0,0,0]=2 4270 B16R1.13673 CC(CCO)Oc1ccc(cc1Cl)[N+](=O)[O-] 7a_100000206008_100009893172 [0,2,0,0,0,0|0,0,0]=2 4271 B16R1.13673 CC(CCO)Oc1ccc(cc1F)[N+](=O)[O-] 34a_100000739697_100009893172 [0,2,0,0,0,0|0,0,0]=2 4272 B16R1.13673 CC(CCO)Oc1ccc(cc1F)[N+](=O)[O-] 7a_100000739697_100009893172 [0,2,0,0,0,0|0,0,0]=2 4273 B16R1.13673 CC(CCO)Oc1ccc(cc1I)[N+](=O)[O-] 34a_100012047213_100009893172 [0,2,0,0,0,0|0,0,0]=2 4274 B16R1.13673 CC(CCO)Oc1ccc(cc1I)[N+](=O)[O-] 7a_100012047213_100009893172 [0,2,0,0,0,0|0,0,0]=2 4275 B16R1.13673 CC(CCO)Oc1ccc(cc1N)[N+](=O)[O-] 34a_100000181223_100009893172 [0,2,0,0,0,0|0,0,0]=2 4276 B16R1.13673 CC(CCO)Oc1ccc(cc1N)[N+](=O)[O-] 7a_100000181223_100009893172 [0,2,0,0,0,0|0,0,0]=2 4277 B16R1.13673 CC(CCO)Oc1ncc(cc1F)[N+](=O)[O-] 34a_100000100219_100009893172 [0,2,0,0,0,0|1,0,0]=3 4278 B16R1.13673 CCCC(C)Nc1ccc(cc1C)[N+](=O)[O-] 2230a_100000184110_100000766640 [0,2,0,0,0,0|2,0,0]=4 4279 B16R1.13673 CCCC(C)Nc1ccc(cc1C)[N+](=O)[O-] 34a_100000184110_100000766640 [0,2,0,0,0,0|2,0,0]=4 4280 B16R1.13673 CCCC(C)Nc1ccc(cc1C)[N+](=O)[O-] 7a_100000184110_100000766640 [0,2,0,0,0,0|2,0,0]=4 4281 B16R1.13673 CCCC(C)Nc1ccc(cc1Cl)[N+](=O)[O-] 34a_100000185723_100000766640 [0,2,0,0,0,0|2,0,0]=4 4282 B16R1.13673 CCCC(C)Nc1ccc(cc1F)[N+](=O)[O-] 34a_100000745739_100000766640 [0,2,0,0,0,0|2,0,0]=4 4283 B16R1.13673 CCCC(C)Oc1ccc(cc1Br)[N+](=O)[O-] 34a_100000756651_100000766640 [0,2,0,0,0,0|1,0,0]=3 4284 B16R1.13673 CCCC(C)Oc1ccc(cc1Br)[N+](=O)[O-] 7a_100000756651_100000766640 [0,2,0,0,0,0|1,0,0]=3 4285 B16R1.13673 CCCC(C)Oc1ccc(cc1C)[N+](=O)[O-] 34a_100000744956_100000766640 [0,2,0,0,0,0|1,0,0]=3 4286 B16R1.13673 CCCC(C)Oc1ccc(cc1C)[N+](=O)[O-] 7a_100000744956_100000766640 [0,2,0,0,0,0|1,0,0]=3 4287 B16R1.13673 CCCC(C)Oc1ccc(cc1Cl)[N+](=O)[O-] 34a_100000206008_100000766640 [0,2,0,0,0,0|1,0,0]=3 4288 B16R1.13673 CCCC(C)Oc1ccc(cc1Cl)[N+](=O)[O-] 7a_100000206008_100000766640 [0,2,0,0,0,0|1,0,0]=3 4289 B16R1.13673 CCCC(C)Oc1ccc(cc1F)[N+](=O)[O-] 34a_100000739697_100000766640 [0,2,0,0,0,0|1,0,0]=3 4290 B16R1.13673 CCCC(C)Oc1ccc(cc1F)[N+](=O)[O-] 7a_100000739697_100000766640 [0,2,0,0,0,0|1,0,0]=3 4291 B16R1.13673 CCCC(C)Oc1ccc(cc1I)[N+](=O)[O-] 34a_100012047213_100000766640 [0,2,0,0,0,0|1,0,0]=3 4292 B16R1.13673 CCCC(C)Oc1ccc(cc1I)[N+](=O)[O-] 7a_100012047213_100000766640 [0,2,0,0,0,0|1,0,0]=3 4293 B16R1.13673 CCCC(C)Oc1ccc(cc1N)[N+](=O)[O-] 34a_100000181223_100000766640 [0,2,0,0,0,0|1,0,0]=3 4294 B16R1.13673 CCCC(C)Oc1ccc(cc1N)[N+](=O)[O-] 7a_100000181223_100000766640 [0,2,0,0,0,0|1,0,0]=3 4295 B16R1.13673 CCCC(C)Oc1ccc(nc1C)[N+](=O)[O-] 7a_100009862445_100000766640 [0,2,0,0,0,0|2,0,0]=4 4296 B16R1.13673 CCCC(C)Oc1cnc(cc1C)[N+](=O)[O-] 7a_100015695027_100000766640 [0,2,0,0,0,0|2,0,0]=4 4297 B16R1.13673 CCCC(C)Oc1ncc(cc1F)[N+](=O)[O-] 34a_100000100219_100000766640 [0,2,0,0,0,0|2,0,0]=4 4298 B16R1.13673 CN(CCO)Cc1ccc(cc1Br)[N+](=O)[O-] 2230a_100000210263_100000741879 [0,2,0,0,0,0|2,0,0]=4 4299 B16R1.13673 CN(CCO)Cc1ccc(cc1Br)[N+](=O)[O-] 269982a_100000210263_100000741879 [0,2,0,0,0,0|2,0,0]=4 4300 B16R1.13673 CN(CCO)Cc1ccc(cc1Br)[N+](=O)[O-] 26a_100000210263_100000756651 [0,2,0,0,0,0|2,0,0]=4 4301 B16R1.13673 CN(CCO)Cc1ccc(cc1Br)[N+](=O)[O-] 270004a_100000210263_100011202981 [0,2,0,0,0,0|2,0,0]=4 4302 B16R1.13673 CN(CCO)Cc1ccc(cc1Cl)[N+](=O)[O-] 2230a_100000210263_100000747184 [0,2,0,0,0,0|2,0,0]=4 4303 B16R1.13673 CN(CCO)Cc1ccc(cc1Cl)[N+](=O)[O-] 269982a_100000210263_100000747184 [0,2,0,0,0,0|2,0,0]=4 4304 B16R1.13673 CN(CCO)Cc1ccc(cc1Cl)[N+](=O)[O-] 26a_100000210263_100000206008 [0,2,0,0,0,0|2,0,0]=4 4305 B16R1.13673 CN(CCO)Cc1ccc(cc1Cl)[N+](=O)[O-] 270004a_100000210263_100000755334 [0,2,0,0,0,0|2,0,0]=4 4306 B16R1.13673 CN(CCO)Cc1ccc(cc1F)[N+](=O)[O-] 2230a_100000210263_100000759423 [0,2,0,0,0,0|2,0,0]=4 4307 B16R1.13673 CN(CCO)Cc1ccc(cc1F)[N+](=O)[O-] 269982a_100000210263_100000759423 [0,2,0,0,0,0|2,0,0]=4 4308 B16R1.13673 CN(CCO)Cc1ccc(cc1F)[N+](=O)[O-] 26a_100000210263_100000739697 [0,2,0,0,0,0|2,0,0]=4 4309 B16R1.13673 CN(CCO)Cc1ccc(cc1I)[N+](=O)[O-] 26a_100000210263_100012047213 [0,2,0,0,0,0|2,0,0]=4 4310 B16R1.13673 COCC(C)Oc1ccc(cc1Br)[N+](=O)[O-] 34a_100000756651_100000765312 [0,2,0,0,0,0|2,0,0]=4 4311 B16R1.13673 COCC(C)Oc1ccc(cc1Br)[N+](=O)[O-] 7a_100000756651_100000765312 [0,2,0,0,0,0|2,0,0]=4 4312 B16R1.13673 COCC(C)Oc1ccc(cc1C)[N+](=O)[O-] 34a_100000744956_100000765312 [0,2,0,0,0,0|2,0,0]=4 4313 B16R1.13673 COCC(C)Oc1ccc(cc1C)[N+](=O)[O-] 7a_100000744956_100000765312 [0,2,0,0,0,0|2,0,0]=4 4314 B16R1.13673 COCC(C)Oc1ccc(cc1Cl)[N+](=O)[O-] 34a_100000206008_100000765312 [0,2,0,0,0,0|2,0,0]=4 4315 B16R1.13673 COCC(C)Oc1ccc(cc1Cl)[N+](=O)[O-] 7a_100000206008_100000765312 [0,2,0,0,0,0|2,0,0]=4 4316 B16R1.13673 COCC(C)Oc1ccc(cc1F)[N+](=O)[O-] 34a_100000739697_100000765312 [0,2,0,0,0,0|2,0,0]=4 4317 B16R1.13673 COCC(C)Oc1ccc(cc1F)[N+](=O)[O-] 7a_100000739697_100000765312 [0,2,0,0,0,0|2,0,0]=4 4318 B16R1.13673 COCC(C)Oc1ccc(cc1I)[N+](=O)[O-] 34a_100012047213_100000765312 [0,2,0,0,0,0|2,0,0]=4 4319 B16R1.13673 COCC(C)Oc1ccc(cc1I)[N+](=O)[O-] 7a_100012047213_100000765312 [0,2,0,0,0,0|2,0,0]=4 4320 B16R1.13673 COCC(C)Oc1ccc(cc1N)[N+](=O)[O-] 34a_100000181223_100000765312 [0,2,0,0,0,0|2,0,0]=4 4321 B16R1.13673 COCC(C)Oc1ccc(cc1N)[N+](=O)[O-] 7a_100000181223_100000765312 [0,2,0,0,0,0|2,0,0]=4 4322 B16R1.13673 Cc1cc(ccc1CC(=O)CCO)[N+](=O)[O-] 1458a_100011216618_100010218038 [0,2,0,0,0,0|1,0,1]=4 4323 B16R1.13673 Cc1cc(ccc1CN(C)CCO)[N+](=O)[O-] 2230a_100000210263_100010218038 [0,2,0,0,0,0|2,0,0]=4 4324 B16R1.13673 Cc1cc(ccc1CN(C)CCO)[N+](=O)[O-] 269982a_100000210263_100010218038 [0,2,0,0,0,0|2,0,0]=4 4325 B16R1.13673 Cc1cc(ccc1CN(C)CCO)[N+](=O)[O-] 26a_100000210263_100000744956 [0,2,0,0,0,0|2,0,0]=4 4326 B16R1.13673 Cc1cc(ccc1NC(C)CCO)[N+](=O)[O-] 2230a_100000184110_100009893172 [0,2,0,0,0,0|1,0,0]=3 4327 B16R1.13673 Cc1cc(ccc1NC(C)CCO)[N+](=O)[O-] 34a_100000184110_100009893172 [0,2,0,0,0,0|1,0,0]=3 4328 B16R1.13673 Cc1cc(ccc1NC(C)CCO)[N+](=O)[O-] 7a_100000184110_100009893172 [0,2,0,0,0,0|1,0,0]=3 4329 B16R1.13673 Cc1cc(ccc1OC(C)CC#N)[N+](=O)[O-] 7a_100000744956_100009813641 [0,2,0,0,0,0|1,0,1]=4 4330 B16R1.13673 Cc1cc(ccc1OC(C)CCO)[N+](=O)[O-] 34a_100000744956_100009893172 [0,2,0,0,0,0|0,0,0]=2 4331 B16R1.13673 Cc1cc(ccc1OC(C)CCO)[N+](=O)[O-] 7a_100000744956_100009893172 [0,2,0,0,0,0|0,0,0]=2 4332 B16R1.13673 Cc1cc(ncc1OC(C)CCO)[N+](=O)[O-] 7a_100015695027_100009893172 [0,2,0,0,0,0|1,0,0]=3 4333 B16R1.13673 Cc1nc(ccc1OC(C)CCO)[N+](=O)[O-] 7a_100009862445_100009893172 [0,2,0,0,0,0|1,0,0]=3 4334 B16R1.13673 O=C(CCO)Cc1ccc(cc1Br)[N+](=O)[O-] 1458a_100011216618_100000741879 [0,2,0,0,0,0|1,0,1]=4 4335 B16R1.13673 O=C(CCO)Cc1ccc(cc1Cl)[N+](=O)[O-] 1458a_100000757483_100000211926 [0,2,0,0,0,0|1,0,1]=4 4336 B16R1.13673 O=C(CCO)Cc1ccc(cc1Cl)[N+](=O)[O-] 1458a_100011216618_100000747184 [0,2,0,0,0,0|1,0,1]=4 4337 B16R1.13673 O=C(CCO)Cc1ccc(cc1F)[N+](=O)[O-] 1458a_100000688093_100000211926 [0,2,0,0,0,0|1,0,1]=4 4338 B16R1.13673 O=C(CCO)Cc1ccc(cc1F)[N+](=O)[O-] 1458a_100011216618_100000759423 [0,2,0,0,0,0|1,0,1]=4 4339 B16R1.13673 O=C(CCO)Nc1ccc(cc1O)[N+](=O)[O-] 22a_100000210499_100011216618 [0,2,0,0,0,0|1,0,1]=4 4340 B16R1.20537 C#CCCOc1ccc(cc1C#N)[N+](=O)[O-] 34a_100000742360_100000688953 [0,2,0,0,0,0|1,0,1]=4 4341 B16R1.20537 C#CCCOc1ccc(cc1C#N)[N+](=O)[O-] 7a_100000742360_100000688953 [0,2,0,0,0,0|1,0,1]=4 4342 B16R1.20537 C#CCCOc1ccc(cc1CBr)[N+](=O)[O-] 34a_200009813932_100000688953 [0,2,0,0,0,0|1,0,1]=4 4343 B16R1.20537 C#CCCOc1ccc(cc1CBr)[N+](=O)[O-] 7a_200009813932_100000688953 [0,2,0,0,0,0|1,0,1]=4 4344 B16R1.20537 C#CCCOc1ccc(cc1CO)[N+](=O)[O-] 34a_100011215696_100000688953 [0,2,0,0,0,0|1,0,1]=4 4345 B16R1.20537 C#CCCOc1ccc(cc1CO)[N+](=O)[O-] 7a_100011215696_100000688953 [0,2,0,0,0,0|1,0,1]=4 4346 B16R1.20537 C#CCCOc1ccc(cc1OC)[N+](=O)[O-] 34a_100000742293_100000688953 [0,2,0,0,0,0|1,0,1]=4 4347 B16R1.20537 C#CCCOc1ccc(cc1OC)[N+](=O)[O-] 7a_100000742293_100000688953 [0,2,0,0,0,0|1,0,1]=4 4348 B16R1.20537 C=CCCOc1ccc(cc1C#N)[N+](=O)[O-] 34a_100000742360_100000754431 [0,2,0,0,0,0|1,0,1]=4 4349 B16R1.20537 C=CCCOc1ccc(cc1C#N)[N+](=O)[O-] 7a_100000742360_100000754431 [0,2,0,0,0,0|1,0,1]=4 4350 B16R1.20537 C=CCCOc1ccc(cc1CBr)[N+](=O)[O-] 34a_200009813932_100000754431 [0,2,0,0,0,0|1,0,1]=4 4351 B16R1.20537 C=CCCOc1ccc(cc1CBr)[N+](=O)[O-] 7a_200009813932_100000754431 [0,2,0,0,0,0|1,0,1]=4 4352 B16R1.20537 C=CCCOc1ccc(cc1CO)[N+](=O)[O-] 34a_100011215696_100000754431 [0,2,0,0,0,0|1,0,1]=4 4353 B16R1.20537 C=CCCOc1ccc(cc1CO)[N+](=O)[O-] 7a_100011215696_100000754431 [0,2,0,0,0,0|1,0,1]=4 4354 B16R1.20537 C=CCCOc1ccc(cc1OC)[N+](=O)[O-] 34a_100000742293_100000754431 [0,2,0,0,0,0|1,0,1]=4 4355 B16R1.20537 C=CCCOc1ccc(cc1OC)[N+](=O)[O-] 7a_100000742293_100000754431 [0,2,0,0,0,0|1,0,1]=4 4356 B16R1.20537 CC(=O)c1ccc(c(c1)CCl)OCCCO 34a_100000010293_100000230001 [0,2,0,0,0,0|2,0,0]=4 4357 B16R1.20537 CC(=O)c1ccc(c(c1)CCl)OCCCO 7a_100000010293_100011215043 [0,2,0,0,0,0|2,0,0]=4 4358 B16R1.20537 CC(=O)c1ccc(c(c1)CO)OCCCO 7a_100000025453_100011215043 [0,2,0,0,0,0|2,0,0]=4 4359 B16R1.20537 CCCCNc1ccc(cc1C#N)[N+](=O)[O-] 7a_100000188651_100000210211 [0,2,0,0,0,0|2,0,0]=4 4360 B16R1.20537 CCCCNc1ccc(cc1OC)[N+](=O)[O-] 34a_100000211086_100000210210 [0,2,0,0,0,0|2,0,0]=4 4361 B16R1.20537 CCCCOc1ccc(cc1C#N)[N+](=O)[O-] 34a_100000742360_100000210210 [0,2,0,0,0,0|1,0,0]=3 4362 B16R1.20537 CCCCOc1ccc(cc1C#N)[N+](=O)[O-] 7a_100000742360_100000210211 [0,2,0,0,0,0|1,0,0]=3 4363 B16R1.20537 CCCCOc1ccc(cc1CBr)[N+](=O)[O-] 34a_200009813932_100000210210 [0,2,0,0,0,0|1,0,0]=3 4364 B16R1.20537 CCCCOc1ccc(cc1CBr)[N+](=O)[O-] 7a_200009813932_100000210211 [0,2,0,0,0,0|1,0,0]=3 4365 B16R1.20537 CCCCOc1ccc(cc1CO)[N+](=O)[O-] 34a_100011215696_100000210210 [0,2,0,0,0,0|1,0,0]=3 4366 B16R1.20537 CCCCOc1ccc(cc1CO)[N+](=O)[O-] 7a_100011215696_100000210211 [0,2,0,0,0,0|1,0,0]=3 4367 B16R1.20537 CCCCOc1ccc(cc1OC)[N+](=O)[O-] 34a_100000742293_100000210210 [0,2,0,0,0,0|1,0,0]=3 4368 B16R1.20537 CCCCOc1ccc(cc1OC)[N+](=O)[O-] 7a_100000742293_100000210211 [0,2,0,0,0,0|1,0,0]=3 4369 B16R1.20537 COCCOc1ccc(cc1C#N)[N+](=O)[O-] 34a_100000742360_100011201679 [0,2,0,0,0,0|2,0,0]=4 4370 B16R1.20537 COCCOc1ccc(cc1C#N)[N+](=O)[O-] 7a_100000742360_100000233755 [0,2,0,0,0,0|2,0,0]=4 4371 B16R1.20537 COCCOc1ccc(cc1CBr)[N+](=O)[O-] 34a_200009813932_100011201679 [0,2,0,0,0,0|2,0,0]=4 4372 B16R1.20537 COCCOc1ccc(cc1CBr)[N+](=O)[O-] 7a_200009813932_100000233755 [0,2,0,0,0,0|2,0,0]=4 4373 B16R1.20537 COCCOc1ccc(cc1CO)[N+](=O)[O-] 34a_100011215696_100011201679 [0,2,0,0,0,0|2,0,0]=4 4374 B16R1.20537 COCCOc1ccc(cc1CO)[N+](=O)[O-] 7a_100011215696_100000233755 [0,2,0,0,0,0|2,0,0]=4 4375 B16R1.20537 COCCOc1ccc(cc1OC)[N+](=O)[O-] 34a_100000742293_100011201679 [0,2,0,0,0,0|2,0,0]=4 4376 B16R1.20537 COCCOc1ccc(cc1OC)[N+](=O)[O-] 7a_100000742293_100000233755 [0,2,0,0,0,0|2,0,0]=4 4377 B16R1.20537 COc1cc(ccc1CNCCO)[N+](=O)[O-] 207a_100000210304_100000067117 [0,2,0,0,0,0|2,0,0]=4 4378 B16R1.20537 COc1cc(ccc1CNCCO)[N+](=O)[O-] 2230a_100016997473_100010150584 [0,2,0,0,0,0|2,0,0]=4 4379 B16R1.20537 COc1cc(ccc1CNCCO)[N+](=O)[O-] 270004a_100000210304_100000067117 [0,2,0,0,0,0|2,0,0]=4 4380 B16R1.20537 COc1cc(ccc1CNCCO)[N+](=O)[O-] 34a_100016990907_100010150584 [0,2,0,0,0,0|2,0,0]=4 4381 B16R1.20537 COc1cc(ccc1COCCO)[N+](=O)[O-] 34a_100000087858_100000211926 [0,2,0,0,0,0|2,0,0]=4 4382 B16R1.20537 COc1cc(ccc1NCCCF)[N+](=O)[O-] 34a_100000211086_100011934791 [0,2,0,0,0,0|2,0,0]=4 4383 B16R1.20537 COc1cc(ccc1NCCCO)[N+](=O)[O-] 34a_100000211086_100000230001 [0,2,0,0,0,0|1,0,0]=3 4384 B16R1.20537 COc1cc(ccc1OCCC#N)[N+](=O)[O-] 7a_100000742293_100000184422 [0,2,0,0,0,0|1,0,1]=4 4385 B16R1.20537 COc1cc(ccc1OCCCF)[N+](=O)[O-] 34a_100000742293_100011934791 [0,2,0,0,0,0|1,0,0]=3 4386 B16R1.20537 COc1cc(ccc1OCCCF)[N+](=O)[O-] 7a_100000742293_100011934791 [0,2,0,0,0,0|1,0,0]=3 4387 B16R1.20537 COc1cc(ccc1OCCCO)C(=O)C 34a_100000186468_100000230001 [0,2,0,0,0,0|2,0,0]=4 4388 B16R1.20537 COc1cc(ccc1OCCCO)C(=O)C 7a_100000186468_100011215043 [0,2,0,0,0,0|2,0,0]=4 4389 B16R1.20537 COc1cc(ccc1OCCCO)[N+](=O)[O-] 34a_100000742293_100000230001 [0,2,0,0,0,0|0,0,0]=2 4390 B16R1.20537 COc1cc(ccc1OCCCO)[N+](=O)[O-] 7a_100000742293_100011215043 [0,2,0,0,0,0|0,0,0]=2 4391 B16R1.20537 COc1cc(ccc1OCCSC)[N+](=O)[O-] 34a_100000742293_100000212216 [0,2,0,0,0,0|2,0,0]=4 4392 B16R1.20537 COc1cc(ccc1OCCSC)[N+](=O)[O-] 7a_100000742293_100000212216 [0,2,0,0,0,0|2,0,0]=4 4393 B16R1.20537 CSCCOc1ccc(cc1C#N)[N+](=O)[O-] 34a_100000742360_100000212216 [0,2,0,0,0,0|2,0,0]=4 4394 B16R1.20537 CSCCOc1ccc(cc1C#N)[N+](=O)[O-] 7a_100000742360_100000212216 [0,2,0,0,0,0|2,0,0]=4 4395 B16R1.20537 CSCCOc1ccc(cc1CBr)[N+](=O)[O-] 34a_200009813932_100000212216 [0,2,0,0,0,0|2,0,0]=4 4396 B16R1.20537 CSCCOc1ccc(cc1CBr)[N+](=O)[O-] 7a_200009813932_100000212216 [0,2,0,0,0,0|2,0,0]=4 4397 B16R1.20537 CSCCOc1ccc(cc1CO)[N+](=O)[O-] 34a_100011215696_100000212216 [0,2,0,0,0,0|2,0,0]=4 4398 B16R1.20537 CSCCOc1ccc(cc1CO)[N+](=O)[O-] 7a_100011215696_100000212216 [0,2,0,0,0,0|2,0,0]=4 4399 B16R1.20537 N#CCCOc1ccc(cc1C#N)[N+](=O)[O-] 7a_100000742360_100000184422 [0,2,0,0,0,0|1,0,1]=4 4400 B16R1.20537 N#CCCOc1ccc(cc1CBr)[N+](=O)[O-] 7a_200009813932_100000184422 [0,2,0,0,0,0|1,0,1]=4 4401 B16R1.20537 N#CCCOc1ccc(cc1CO)[N+](=O)[O-] 7a_100011215696_100000184422 [0,2,0,0,0,0|1,0,1]=4 4402 B16R1.20537 N#Cc1cc(ccc1CNCCO)[N+](=O)[O-] 2230a_100016997473_100012145663 [0,2,0,0,0,0|2,0,0]=4 4403 B16R1.20537 N#Cc1cc(ccc1CSCCO)[N+](=O)[O-] 62a_100000211926_100012145663 [0,2,0,0,0,0|2,0,0]=4 4404 B16R1.20537 N#Cc1cc(ccc1NCCCF)[N+](=O)[O-] 7a_100000188651_100011934791 [0,2,0,0,0,0|2,0,0]=4 4405 B16R1.20537 N#Cc1cc(ccc1NCCCO)[N+](=O)[O-] 7a_100000188651_100011215043 [0,2,0,0,0,0|1,0,0]=3 4406 B16R1.20537 N#Cc1cc(ccc1OCCCF)[N+](=O)[O-] 34a_100000742360_100011934791 [0,2,0,0,0,0|1,0,0]=3 4407 B16R1.20537 N#Cc1cc(ccc1OCCCF)[N+](=O)[O-] 7a_100000742360_100011934791 [0,2,0,0,0,0|1,0,0]=3 4408 B16R1.20537 N#Cc1cc(ccc1OCCCO)[N+](=O)[O-] 34a_100000742360_100000230001 [0,2,0,0,0,0|0,0,0]=2 4409 B16R1.20537 N#Cc1cc(ccc1OCCCO)[N+](=O)[O-] 7a_100000742360_100011215043 [0,2,0,0,0,0|0,0,0]=2 4410 B16R1.20537 O=[N+]([O-])c1ccc(c(c1)CBr)OCCCF 34a_200009813932_100011934791 [0,2,0,0,0,0|1,0,0]=3 4411 B16R1.20537 O=[N+]([O-])c1ccc(c(c1)CBr)OCCCF 7a_200009813932_100011934791 [0,2,0,0,0,0|1,0,0]=3 4412 B16R1.20537 O=[N+]([O-])c1ccc(c(c1)CBr)OCCCO 34a_200009813932_100000230001 [0,2,0,0,0,0|0,0,0]=2 4413 B16R1.20537 O=[N+]([O-])c1ccc(c(c1)CBr)OCCCO 7a_200009813932_100011215043 [0,2,0,0,0,0|0,0,0]=2 4414 B16R1.20537 O=[N+]([O-])c1ccc(c(c1)CO)OCCCF 34a_100011215696_100011934791 [0,2,0,0,0,0|1,0,0]=3 4415 B16R1.20537 O=[N+]([O-])c1ccc(c(c1)CO)OCCCF 7a_100011215696_100011934791 [0,2,0,0,0,0|1,0,0]=3 4416 B16R1.20537 O=[N+]([O-])c1ccc(c(c1)CO)OCCCO 34a_100011215696_100000230001 [0,2,0,0,0,0|0,0,0]=2 4417 B16R1.20537 O=[N+]([O-])c1ccc(c(c1)CO)OCCCO 7a_100011215696_100011215043 [0,2,0,0,0,0|0,0,0]=2 4418 B16R1.20545 C#CCCOc1ccc(c(c1C)C)[N+](=O)[O-] 34a_100011217262_100000688953 [0,2,0,0,0,0|1,0,1]=4 4419 B16R1.20545 C#CCCOc1ccc(c(c1C)C)[N+](=O)[O-] 7a_100011217262_100000688953 [0,2,0,0,0,0|1,0,1]=4 4420 B16R1.20545 C#CCCOc1ccc(c(c1Cl)Cl)[N+](=O)[O-] 34a_200012362477_100000688953 [0,2,0,0,0,0|1,0,1]=4 4421 B16R1.20545 C#CCCOc1ccc(c(c1Cl)Cl)[N+](=O)[O-] 7a_200012362477_100000688953 [0,2,0,0,0,0|1,0,1]=4 4422 B16R1.20545 C#CCCOc1ccc(c(c1F)Cl)[N+](=O)[O-] 34a_100015974733_100000688953 [0,2,0,0,0,0|1,0,1]=4 4423 B16R1.20545 C#CCCOc1ccc(c(c1F)Cl)[N+](=O)[O-] 7a_100015974733_100000688953 [0,2,0,0,0,0|1,0,1]=4 4424 B16R1.20545 C#CCCOc1ccc(c(c1F)F)[N+](=O)[O-] 34a_100012186193_100000688953 [0,2,0,0,0,0|1,0,1]=4 4425 B16R1.20545 C#CCCOc1ccc(c(c1F)F)[N+](=O)[O-] 7a_100012186193_100000688953 [0,2,0,0,0,0|1,0,1]=4 4426 B16R1.20545 C=CCCOc1ccc(c(c1C)C)[N+](=O)[O-] 34a_100011217262_100000754431 [0,2,0,0,0,0|1,0,1]=4 4427 B16R1.20545 C=CCCOc1ccc(c(c1C)C)[N+](=O)[O-] 7a_100011217262_100000754431 [0,2,0,0,0,0|1,0,1]=4 4428 B16R1.20545 C=CCCOc1ccc(c(c1Cl)Cl)[N+](=O)[O-] 34a_200012362477_100000754431 [0,2,0,0,0,0|1,0,1]=4 4429 B16R1.20545 C=CCCOc1ccc(c(c1Cl)Cl)[N+](=O)[O-] 7a_200012362477_100000754431 [0,2,0,0,0,0|1,0,1]=4 4430 B16R1.20545 C=CCCOc1ccc(c(c1F)Cl)[N+](=O)[O-] 34a_100015974733_100000754431 [0,2,0,0,0,0|1,0,1]=4 4431 B16R1.20545 C=CCCOc1ccc(c(c1F)Cl)[N+](=O)[O-] 7a_100015974733_100000754431 [0,2,0,0,0,0|1,0,1]=4 4432 B16R1.20545 C=CCCOc1ccc(c(c1F)F)[N+](=O)[O-] 34a_100012186193_100000754431 [0,2,0,0,0,0|1,0,1]=4 4433 B16R1.20545 C=CCCOc1ccc(c(c1F)F)[N+](=O)[O-] 7a_100012186193_100000754431 [0,2,0,0,0,0|1,0,1]=4 4434 B16R1.20545 CCCCNc1ccc(c(c1C)C)[N+](=O)[O-] 2230a_100000074975_100000210211 [0,2,0,0,0,0|2,0,0]=4 4435 B16R1.20545 CCCCNc1ccc(c(c1C)C)[N+](=O)[O-] 34a_100000074975_100000210210 [0,2,0,0,0,0|2,0,0]=4 4436 B16R1.20545 CCCCNc1ccc(c(c1C)C)[N+](=O)[O-] 7a_100000074975_100000210211 [0,2,0,0,0,0|2,0,0]=4 4437 B16R1.20545 CCCCNc1ccc(c(c1C)F)[N+](=O)[O-] 34a_100000090441_100000210210 [0,2,0,0,0,0|2,0,0]=4 4438 B16R1.20545 CCCCOc1ccc(c(c1C)C)[N+](=O)[O-] 34a_100011217262_100000210210 [0,2,0,0,0,0|1,0,0]=3 4439 B16R1.20545 CCCCOc1ccc(c(c1C)C)[N+](=O)[O-] 7a_100011217262_100000210211 [0,2,0,0,0,0|1,0,0]=3 4440 B16R1.20545 CCCCOc1ccc(c(c1Cl)Cl)[N+](=O)[O-] 34a_200012362477_100000210210 [0,2,0,0,0,0|1,0,0]=3 4441 B16R1.20545 CCCCOc1ccc(c(c1Cl)Cl)[N+](=O)[O-] 7a_200012362477_100000210211 [0,2,0,0,0,0|1,0,0]=3 4442 B16R1.20545 CCCCOc1ccc(c(c1F)Cl)[N+](=O)[O-] 34a_100015974733_100000210210 [0,2,0,0,0,0|1,0,0]=3 4443 B16R1.20545 CCCCOc1ccc(c(c1F)Cl)[N+](=O)[O-] 7a_100015974733_100000210211 [0,2,0,0,0,0|1,0,0]=3 4444 B16R1.20545 CCCCOc1ccc(c(c1F)F)[N+](=O)[O-] 34a_100012186193_100000210210 [0,2,0,0,0,0|1,0,0]=3 4445 B16R1.20545 CCCCOc1ccc(c(c1F)F)[N+](=O)[O-] 7a_100012186193_100000210211 [0,2,0,0,0,0|1,0,0]=3 4446 B16R1.20545 COCCOc1ccc(c(c1C)C)[N+](=O)[O-] 34a_100011217262_100011201679 [0,2,0,0,0,0|2,0,0]=4 4447 B16R1.20545 COCCOc1ccc(c(c1C)C)[N+](=O)[O-] 7a_100011217262_100000233755 [0,2,0,0,0,0|2,0,0]=4 4448 B16R1.20545 COCCOc1ccc(c(c1Cl)Cl)[N+](=O)[O-] 34a_200012362477_100011201679 [0,2,0,0,0,0|2,0,0]=4 4449 B16R1.20545 COCCOc1ccc(c(c1Cl)Cl)[N+](=O)[O-] 7a_200012362477_100000233755 [0,2,0,0,0,0|2,0,0]=4 4450 B16R1.20545 COCCOc1ccc(c(c1F)Cl)[N+](=O)[O-] 34a_100015974733_100011201679 [0,2,0,0,0,0|2,0,0]=4 4451 B16R1.20545 COCCOc1ccc(c(c1F)Cl)[N+](=O)[O-] 7a_100015974733_100000233755 [0,2,0,0,0,0|2,0,0]=4 4452 B16R1.20545 COCCOc1ccc(c(c1F)F)[N+](=O)[O-] 34a_100012186193_100011201679 [0,2,0,0,0,0|2,0,0]=4 4453 B16R1.20545 COCCOc1ccc(c(c1F)F)[N+](=O)[O-] 7a_100012186193_100000233755 [0,2,0,0,0,0|2,0,0]=4 4454 B16R1.20545 CSCCOc1ccc(c(c1C)C)[N+](=O)[O-] 34a_100011217262_100000212216 [0,2,0,0,0,0|2,0,0]=4 4455 B16R1.20545 CSCCOc1ccc(c(c1C)C)[N+](=O)[O-] 7a_100011217262_100000212216 [0,2,0,0,0,0|2,0,0]=4 4456 B16R1.20545 CSCCOc1ccc(c(c1Cl)Cl)[N+](=O)[O-] 34a_200012362477_100000212216 [0,2,0,0,0,0|2,0,0]=4 4457 B16R1.20545 CSCCOc1ccc(c(c1Cl)Cl)[N+](=O)[O-] 7a_200012362477_100000212216 [0,2,0,0,0,0|2,0,0]=4 4458 B16R1.20545 CSCCOc1ccc(c(c1F)Cl)[N+](=O)[O-] 34a_100015974733_100000212216 [0,2,0,0,0,0|2,0,0]=4 4459 B16R1.20545 CSCCOc1ccc(c(c1F)Cl)[N+](=O)[O-] 7a_100015974733_100000212216 [0,2,0,0,0,0|2,0,0]=4 4460 B16R1.20545 CSCCOc1ccc(c(c1F)F)[N+](=O)[O-] 34a_100012186193_100000212216 [0,2,0,0,0,0|2,0,0]=4 4461 B16R1.20545 CSCCOc1ccc(c(c1F)F)[N+](=O)[O-] 7a_100012186193_100000212216 [0,2,0,0,0,0|2,0,0]=4 4462 B16R1.20545 Cc1c(ccc(c1C)[N+](=O)[O-])NCCCF 2230a_100000074975_100011934791 [0,2,0,0,0,0|2,0,0]=4 4463 B16R1.20545 Cc1c(ccc(c1C)[N+](=O)[O-])NCCCF 34a_100000074975_100011934791 [0,2,0,0,0,0|2,0,0]=4 4464 B16R1.20545 Cc1c(ccc(c1C)[N+](=O)[O-])NCCCF 7a_100000074975_100011934791 [0,2,0,0,0,0|2,0,0]=4 4465 B16R1.20545 Cc1c(ccc(c1C)[N+](=O)[O-])NCCCO 2230a_100000074975_100000230001 [0,2,0,0,0,0|1,0,0]=3 4466 B16R1.20545 Cc1c(ccc(c1C)[N+](=O)[O-])NCCCO 34a_100000074975_100000230001 [0,2,0,0,0,0|1,0,0]=3 4467 B16R1.20545 Cc1c(ccc(c1C)[N+](=O)[O-])NCCCO 7a_100000074975_100011215043 [0,2,0,0,0,0|1,0,0]=3 4468 B16R1.20545 Cc1c(ccc(c1C)[N+](=O)[O-])OCCC#N 7a_100011217262_100000184422 [0,2,0,0,0,0|1,0,1]=4 4469 B16R1.20545 Cc1c(ccc(c1C)[N+](=O)[O-])OCCCF 34a_100011217262_100011934791 [0,2,0,0,0,0|1,0,0]=3 4470 B16R1.20545 Cc1c(ccc(c1C)[N+](=O)[O-])OCCCF 7a_100011217262_100011934791 [0,2,0,0,0,0|1,0,0]=3 4471 B16R1.20545 Cc1c(ccc(c1C)[N+](=O)[O-])OCCCO 34a_100011217262_100000230001 [0,2,0,0,0,0|0,0,0]=2 4472 B16R1.20545 Cc1c(ccc(c1C)[N+](=O)[O-])OCCCO 7a_100011217262_100011215043 [0,2,0,0,0,0|0,0,0]=2 4473 B16R1.20545 Cc1c(ccc(c1F)[N+](=O)[O-])NCCCF 34a_100000090441_100011934791 [0,2,0,0,0,0|2,0,0]=4 4474 B16R1.20545 Cc1c(ccc(c1F)[N+](=O)[O-])NCCCO 34a_100000090441_100000230001 [0,2,0,0,0,0|1,0,0]=3 4475 B16R1.20545 N#CCCOc1ccc(c(c1Cl)Cl)[N+](=O)[O-] 7a_200012362477_100000184422 [0,2,0,0,0,0|1,0,1]=4 4476 B16R1.20545 N#CCCOc1ccc(c(c1F)Cl)[N+](=O)[O-] 7a_100015974733_100000184422 [0,2,0,0,0,0|1,0,1]=4 4477 B16R1.20545 N#CCCOc1ccc(c(c1F)F)[N+](=O)[O-] 7a_100012186193_100000184422 [0,2,0,0,0,0|1,0,1]=4 4478 B16R1.20545 O=[N+]([O-])c1ccc(c(c1Cl)Cl)OCCCF 34a_200012362477_100011934791 [0,2,0,0,0,0|1,0,0]=3 4479 B16R1.20545 O=[N+]([O-])c1ccc(c(c1Cl)Cl)OCCCF 7a_200012362477_100011934791 [0,2,0,0,0,0|1,0,0]=3 4480 B16R1.20545 O=[N+]([O-])c1ccc(c(c1Cl)Cl)OCCCO 34a_200012362477_100000230001 [0,2,0,0,0,0|0,0,0]=2 4481 B16R1.20545 O=[N+]([O-])c1ccc(c(c1Cl)Cl)OCCCO 7a_200012362477_100011215043 [0,2,0,0,0,0|0,0,0]=2 4482 B16R1.20545 O=[N+]([O-])c1ccc(c(c1Cl)F)OCCCF 34a_100015974733_100011934791 [0,2,0,0,0,0|1,0,0]=3 4483 B16R1.20545 O=[N+]([O-])c1ccc(c(c1Cl)F)OCCCF 7a_100015974733_100011934791 [0,2,0,0,0,0|1,0,0]=3 4484 B16R1.20545 O=[N+]([O-])c1ccc(c(c1Cl)F)OCCCO 34a_100015974733_100000230001 [0,2,0,0,0,0|0,0,0]=2 4485 B16R1.20545 O=[N+]([O-])c1ccc(c(c1Cl)F)OCCCO 7a_100015974733_100011215043 [0,2,0,0,0,0|0,0,0]=2 4486 B16R1.20545 O=[N+]([O-])c1ccc(c(c1F)F)OCCCF 34a_100012186193_100011934791 [0,2,0,0,0,0|1,0,0]=3 4487 B16R1.20545 O=[N+]([O-])c1ccc(c(c1F)F)OCCCF 7a_100012186193_100011934791 [0,2,0,0,0,0|1,0,0]=3 4488 B16R1.20545 O=[N+]([O-])c1ccc(c(c1F)F)OCCCO 34a_100012186193_100000230001 [0,2,0,0,0,0|0,0,0]=2 4489 B16R1.20545 O=[N+]([O-])c1ccc(c(c1F)F)OCCCO 7a_100012186193_100011215043 [0,2,0,0,0,0|0,0,0]=2 4490 B16R1.60142 C#CCCOc1c(cc(cc1Br)[N+](=O)[O-])Br 7a_100000184107_100000688953 [0,2,0,0,0,0|1,0,1]=4 4491 B16R1.60142 C#CCCOc1c(cc(cc1Br)[N+](=O)[O-])C 34a_100010889268_100000688953 [0,2,0,0,0,0|1,0,1]=4 4492 B16R1.60142 C#CCCOc1c(cc(cc1Br)[N+](=O)[O-])C 7a_100010889268_100000688953 [0,2,0,0,0,0|1,0,1]=4 4493 B16R1.60142 C#CCCOc1c(cc(cc1Br)[N+](=O)[O-])Cl 34a_100010769427_100000688953 [0,2,0,0,0,0|1,0,1]=4 4494 B16R1.60142 C#CCCOc1c(cc(cc1Br)[N+](=O)[O-])Cl 7a_100010769427_100000688953 [0,2,0,0,0,0|1,0,1]=4 4495 B16R1.60142 C#CCCOc1c(cc(cc1Br)[N+](=O)[O-])F 34a_200011830256_100000688953 [0,2,0,0,0,0|1,0,1]=4 4496 B16R1.60142 C#CCCOc1c(cc(cc1Br)[N+](=O)[O-])F 7a_200011830256_100000688953 [0,2,0,0,0,0|1,0,1]=4 4497 B16R1.60142 C#CCCOc1c(cc(cc1C)[N+](=O)[O-])C 34a_100011217877_100000688953 [0,2,0,0,0,0|1,0,1]=4 4498 B16R1.60142 C#CCCOc1c(cc(cc1C)[N+](=O)[O-])C 7a_100011217877_100000688953 [0,2,0,0,0,0|1,0,1]=4 4499 B16R1.60142 C#CCCOc1c(cc(cc1Cl)[N+](=O)[O-])Cl 34a_100000211554_100000688953 [0,2,0,0,0,0|1,0,1]=4 4500 B16R1.60142 C#CCCOc1c(cc(cc1Cl)[N+](=O)[O-])Cl 7a_100000211554_100000688953 [0,2,0,0,0,0|1,0,1]=4 4501 B16R1.60142 C#CCCOc1c(cc(cc1Cl)[N+](=O)[O-])N 34a_100000029776_100000688953 [0,2,0,0,0,0|1,0,1]=4 4502 B16R1.60142 C#CCCOc1c(cc(cc1Cl)[N+](=O)[O-])N 7a_100000029776_100000688953 [0,2,0,0,0,0|1,0,1]=4 4503 B16R1.60142 C#CCCOc1c(cc(cc1F)[N+](=O)[O-])F 34a_100011219396_100000688953 [0,2,0,0,0,0|1,0,1]=4 4504 B16R1.60142 C#CCCOc1c(cc(cc1F)[N+](=O)[O-])F 7a_100011219396_100000688953 [0,2,0,0,0,0|1,0,1]=4 4505 B16R1.60142 C#CCCOc1c(cc(cc1I)[N+](=O)[O-])I 7a_100000032127_100000688953 [0,2,0,0,0,0|1,0,1]=4 4506 B16R1.60142 C=CCCOc1c(cc(cc1Br)[N+](=O)[O-])Br 7a_100000184107_100000754431 [0,2,0,0,0,0|1,0,1]=4 4507 B16R1.60142 C=CCCOc1c(cc(cc1Br)[N+](=O)[O-])C 34a_100010889268_100000754431 [0,2,0,0,0,0|1,0,1]=4 4508 B16R1.60142 C=CCCOc1c(cc(cc1Br)[N+](=O)[O-])C 7a_100010889268_100000754431 [0,2,0,0,0,0|1,0,1]=4 4509 B16R1.60142 C=CCCOc1c(cc(cc1Br)[N+](=O)[O-])Cl 34a_100010769427_100000754431 [0,2,0,0,0,0|1,0,1]=4 4510 B16R1.60142 C=CCCOc1c(cc(cc1Br)[N+](=O)[O-])Cl 7a_100010769427_100000754431 [0,2,0,0,0,0|1,0,1]=4 4511 B16R1.60142 C=CCCOc1c(cc(cc1Br)[N+](=O)[O-])F 34a_200011830256_100000754431 [0,2,0,0,0,0|1,0,1]=4 4512 B16R1.60142 C=CCCOc1c(cc(cc1Br)[N+](=O)[O-])F 7a_200011830256_100000754431 [0,2,0,0,0,0|1,0,1]=4 4513 B16R1.60142 C=CCCOc1c(cc(cc1C)[N+](=O)[O-])C 34a_100011217877_100000754431 [0,2,0,0,0,0|1,0,1]=4 4514 B16R1.60142 C=CCCOc1c(cc(cc1C)[N+](=O)[O-])C 7a_100011217877_100000754431 [0,2,0,0,0,0|1,0,1]=4 4515 B16R1.60142 C=CCCOc1c(cc(cc1Cl)[N+](=O)[O-])Cl 34a_100000211554_100000754431 [0,2,0,0,0,0|1,0,1]=4 4516 B16R1.60142 C=CCCOc1c(cc(cc1Cl)[N+](=O)[O-])Cl 7a_100000211554_100000754431 [0,2,0,0,0,0|1,0,1]=4 4517 B16R1.60142 C=CCCOc1c(cc(cc1Cl)[N+](=O)[O-])N 34a_100000029776_100000754431 [0,2,0,0,0,0|1,0,1]=4 4518 B16R1.60142 C=CCCOc1c(cc(cc1Cl)[N+](=O)[O-])N 7a_100000029776_100000754431 [0,2,0,0,0,0|1,0,1]=4 4519 B16R1.60142 C=CCCOc1c(cc(cc1F)[N+](=O)[O-])F 34a_100011219396_100000754431 [0,2,0,0,0,0|1,0,1]=4 4520 B16R1.60142 C=CCCOc1c(cc(cc1F)[N+](=O)[O-])F 7a_100011219396_100000754431 [0,2,0,0,0,0|1,0,1]=4 4521 B16R1.60142 C=CCCOc1c(cc(cc1I)[N+](=O)[O-])I 7a_100000032127_100000754431 [0,2,0,0,0,0|1,0,1]=4 4522 B16R1.60142 CC(=O)c1cc(c(c(c1)Br)OCCCO)Br 7a_100000186470_100011215043 [0,2,0,0,0,0|2,0,0]=4 4523 B16R1.60142 CC(=O)c1cc(c(c(c1)C)OCCCO)C 34a_100011934020_100000230001 [0,2,0,0,0,0|2,0,0]=4 4524 B16R1.60142 CC(=O)c1cc(c(c(c1)C)OCCCO)C 7a_100011934020_100011215043 [0,2,0,0,0,0|2,0,0]=4 4525 B16R1.60142 CC(=O)c1cc(c(c(c1)Cl)OCCCO)Cl 34a_100012337704_100000230001 [0,2,0,0,0,0|2,0,0]=4 4526 B16R1.60142 CC(=O)c1cc(c(c(c1)Cl)OCCCO)Cl 7a_100012337704_100011215043 [0,2,0,0,0,0|2,0,0]=4 4527 B16R1.60142 CCCCNc1c(cc(cc1Br)[N+](=O)[O-])C 7a_100009813865_100000210211 [0,2,0,0,0,0|2,0,0]=4 4528 B16R1.60142 CCCCNc1c(cc(cc1C)[N+](=O)[O-])C 34a_100000765414_100000210210 [0,2,0,0,0,0|2,0,0]=4 4529 B16R1.60142 CCCCNc1c(cc(cc1C)[N+](=O)[O-])C 7a_100000765414_100000210211 [0,2,0,0,0,0|2,0,0]=4 4530 B16R1.60142 CCCCNc1c(cc(cc1Cl)[N+](=O)[O-])C 7a_100011218544_100000210211 [0,2,0,0,0,0|2,0,0]=4 4531 B16R1.60142 CCCCNc1c(cc(cc1F)[N+](=O)[O-])F 34a_100011217156_100000210210 [0,2,0,0,0,0|2,0,0]=4 4532 B16R1.60142 CCCCOc1c(cc(cc1Br)[N+](=O)[O-])Br 7a_100000184107_100000210211 [0,2,0,0,0,0|1,0,0]=3 4533 B16R1.60142 CCCCOc1c(cc(cc1Br)[N+](=O)[O-])C 34a_100010889268_100000210210 [0,2,0,0,0,0|1,0,0]=3 4534 B16R1.60142 CCCCOc1c(cc(cc1Br)[N+](=O)[O-])C 7a_100010889268_100000210211 [0,2,0,0,0,0|1,0,0]=3 4535 B16R1.60142 CCCCOc1c(cc(cc1Br)[N+](=O)[O-])Cl 34a_100010769427_100000210210 [0,2,0,0,0,0|1,0,0]=3 4536 B16R1.60142 CCCCOc1c(cc(cc1Br)[N+](=O)[O-])Cl 7a_100010769427_100000210211 [0,2,0,0,0,0|1,0,0]=3 4537 B16R1.60142 CCCCOc1c(cc(cc1Br)[N+](=O)[O-])F 34a_200011830256_100000210210 [0,2,0,0,0,0|1,0,0]=3 4538 B16R1.60142 CCCCOc1c(cc(cc1Br)[N+](=O)[O-])F 7a_200011830256_100000210211 [0,2,0,0,0,0|1,0,0]=3 4539 B16R1.60142 CCCCOc1c(cc(cc1C)[N+](=O)[O-])C 34a_100011217877_100000210210 [0,2,0,0,0,0|1,0,0]=3 4540 B16R1.60142 CCCCOc1c(cc(cc1C)[N+](=O)[O-])C 7a_100011217877_100000210211 [0,2,0,0,0,0|1,0,0]=3 4541 B16R1.60142 CCCCOc1c(cc(cc1Cl)[N+](=O)[O-])Cl 34a_100000211554_100000210210 [0,2,0,0,0,0|1,0,0]=3 4542 B16R1.60142 CCCCOc1c(cc(cc1Cl)[N+](=O)[O-])Cl 7a_100000211554_100000210211 [0,2,0,0,0,0|1,0,0]=3 4543 B16R1.60142 CCCCOc1c(cc(cc1Cl)[N+](=O)[O-])N 34a_100000029776_100000210210 [0,2,0,0,0,0|1,0,0]=3 4544 B16R1.60142 CCCCOc1c(cc(cc1Cl)[N+](=O)[O-])N 7a_100000029776_100000210211 [0,2,0,0,0,0|1,0,0]=3 4545 B16R1.60142 CCCCOc1c(cc(cc1F)[N+](=O)[O-])F 34a_100011219396_100000210210 [0,2,0,0,0,0|1,0,0]=3 4546 B16R1.60142 CCCCOc1c(cc(cc1F)[N+](=O)[O-])F 7a_100011219396_100000210211 [0,2,0,0,0,0|1,0,0]=3 4547 B16R1.60142 CCCCOc1c(cc(cc1I)[N+](=O)[O-])I 7a_100000032127_100000210211 [0,2,0,0,0,0|1,0,0]=3 4548 B16R1.60142 COCCOc1c(cc(cc1Br)[N+](=O)[O-])Br 7a_100000184107_100000233755 [0,2,0,0,0,0|2,0,0]=4 4549 B16R1.60142 COCCOc1c(cc(cc1Br)[N+](=O)[O-])C 34a_100010889268_100011201679 [0,2,0,0,0,0|2,0,0]=4 4550 B16R1.60142 COCCOc1c(cc(cc1Br)[N+](=O)[O-])C 7a_100010889268_100000233755 [0,2,0,0,0,0|2,0,0]=4 4551 B16R1.60142 COCCOc1c(cc(cc1Br)[N+](=O)[O-])Cl 34a_100010769427_100011201679 [0,2,0,0,0,0|2,0,0]=4 4552 B16R1.60142 COCCOc1c(cc(cc1Br)[N+](=O)[O-])Cl 7a_100010769427_100000233755 [0,2,0,0,0,0|2,0,0]=4 4553 B16R1.60142 COCCOc1c(cc(cc1Br)[N+](=O)[O-])F 34a_200011830256_100011201679 [0,2,0,0,0,0|2,0,0]=4 4554 B16R1.60142 COCCOc1c(cc(cc1Br)[N+](=O)[O-])F 7a_200011830256_100000233755 [0,2,0,0,0,0|2,0,0]=4 4555 B16R1.60142 COCCOc1c(cc(cc1C)[N+](=O)[O-])C 34a_100011217877_100011201679 [0,2,0,0,0,0|2,0,0]=4 4556 B16R1.60142 COCCOc1c(cc(cc1C)[N+](=O)[O-])C 7a_100011217877_100000233755 [0,2,0,0,0,0|2,0,0]=4 4557 B16R1.60142 COCCOc1c(cc(cc1Cl)[N+](=O)[O-])Cl 34a_100000211554_100011201679 [0,2,0,0,0,0|2,0,0]=4 4558 B16R1.60142 COCCOc1c(cc(cc1Cl)[N+](=O)[O-])Cl 7a_100000211554_100000233755 [0,2,0,0,0,0|2,0,0]=4 4559 B16R1.60142 COCCOc1c(cc(cc1Cl)[N+](=O)[O-])N 34a_100000029776_100011201679 [0,2,0,0,0,0|2,0,0]=4 4560 B16R1.60142 COCCOc1c(cc(cc1Cl)[N+](=O)[O-])N 7a_100000029776_100000233755 [0,2,0,0,0,0|2,0,0]=4 4561 B16R1.60142 COCCOc1c(cc(cc1F)[N+](=O)[O-])F 34a_100011219396_100011201679 [0,2,0,0,0,0|2,0,0]=4 4562 B16R1.60142 COCCOc1c(cc(cc1F)[N+](=O)[O-])F 7a_100011219396_100000233755 [0,2,0,0,0,0|2,0,0]=4 4563 B16R1.60142 COCCOc1c(cc(cc1I)[N+](=O)[O-])I 7a_100000032127_100000233755 [0,2,0,0,0,0|2,0,0]=4 4564 B16R1.60142 CSCCOc1c(cc(cc1Br)[N+](=O)[O-])Br 7a_100000184107_100000212216 [0,2,0,0,0,0|2,0,0]=4 4565 B16R1.60142 CSCCOc1c(cc(cc1Br)[N+](=O)[O-])C 34a_100010889268_100000212216 [0,2,0,0,0,0|2,0,0]=4 4566 B16R1.60142 CSCCOc1c(cc(cc1Br)[N+](=O)[O-])C 7a_100010889268_100000212216 [0,2,0,0,0,0|2,0,0]=4 4567 B16R1.60142 CSCCOc1c(cc(cc1Br)[N+](=O)[O-])Cl 34a_100010769427_100000212216 [0,2,0,0,0,0|2,0,0]=4 4568 B16R1.60142 CSCCOc1c(cc(cc1Br)[N+](=O)[O-])Cl 7a_100010769427_100000212216 [0,2,0,0,0,0|2,0,0]=4 4569 B16R1.60142 CSCCOc1c(cc(cc1Br)[N+](=O)[O-])F 34a_200011830256_100000212216 [0,2,0,0,0,0|2,0,0]=4 4570 B16R1.60142 CSCCOc1c(cc(cc1Br)[N+](=O)[O-])F 7a_200011830256_100000212216 [0,2,0,0,0,0|2,0,0]=4 4571 B16R1.60142 CSCCOc1c(cc(cc1C)[N+](=O)[O-])C 34a_100011217877_100000212216 [0,2,0,0,0,0|2,0,0]=4 4572 B16R1.60142 CSCCOc1c(cc(cc1C)[N+](=O)[O-])C 7a_100011217877_100000212216 [0,2,0,0,0,0|2,0,0]=4 4573 B16R1.60142 CSCCOc1c(cc(cc1Cl)[N+](=O)[O-])Cl 34a_100000211554_100000212216 [0,2,0,0,0,0|2,0,0]=4 4574 B16R1.60142 CSCCOc1c(cc(cc1Cl)[N+](=O)[O-])Cl 7a_100000211554_100000212216 [0,2,0,0,0,0|2,0,0]=4 4575 B16R1.60142 CSCCOc1c(cc(cc1Cl)[N+](=O)[O-])N 34a_100000029776_100000212216 [0,2,0,0,0,0|2,0,0]=4 4576 B16R1.60142 CSCCOc1c(cc(cc1Cl)[N+](=O)[O-])N 7a_100000029776_100000212216 [0,2,0,0,0,0|2,0,0]=4 4577 B16R1.60142 CSCCOc1c(cc(cc1F)[N+](=O)[O-])F 34a_100011219396_100000212216 [0,2,0,0,0,0|2,0,0]=4 4578 B16R1.60142 CSCCOc1c(cc(cc1F)[N+](=O)[O-])F 7a_100011219396_100000212216 [0,2,0,0,0,0|2,0,0]=4 4579 B16R1.60142 CSCCOc1c(cc(cc1I)[N+](=O)[O-])I 7a_100000032127_100000212216 [0,2,0,0,0,0|2,0,0]=4 4580 B16R1.60142 Cc1cc(cc(c1NCCCF)Br)[N+](=O)[O-] 7a_100009813865_100011934791 [0,2,0,0,0,0|2,0,0]=4 4581 B16R1.60142 Cc1cc(cc(c1NCCCF)C)[N+](=O)[O-] 34a_100000765414_100011934791 [0,2,0,0,0,0|2,0,0]=4 4582 B16R1.60142 Cc1cc(cc(c1NCCCF)C)[N+](=O)[O-] 7a_100000765414_100011934791 [0,2,0,0,0,0|2,0,0]=4 4583 B16R1.60142 Cc1cc(cc(c1NCCCF)Cl)[N+](=O)[O-] 7a_100011218544_100011934791 [0,2,0,0,0,0|2,0,0]=4 4584 B16R1.60142 Cc1cc(cc(c1NCCCO)Br)[N+](=O)[O-] 7a_100009813865_100011215043 [0,2,0,0,0,0|1,0,0]=3 4585 B16R1.60142 Cc1cc(cc(c1NCCCO)C)[N+](=O)[O-] 34a_100000765414_100000230001 [0,2,0,0,0,0|1,0,0]=3 4586 B16R1.60142 Cc1cc(cc(c1NCCCO)C)[N+](=O)[O-] 7a_100000765414_100011215043 [0,2,0,0,0,0|1,0,0]=3 4587 B16R1.60142 Cc1cc(cc(c1NCCCO)Cl)[N+](=O)[O-] 7a_100011218544_100011215043 [0,2,0,0,0,0|1,0,0]=3 4588 B16R1.60142 Cc1cc(cc(c1OCCC#N)Br)[N+](=O)[O-] 7a_100010889268_100000184422 [0,2,0,0,0,0|1,0,1]=4 4589 B16R1.60142 Cc1cc(cc(c1OCCC#N)C)[N+](=O)[O-] 7a_100011217877_100000184422 [0,2,0,0,0,0|1,0,1]=4 4590 B16R1.60142 Cc1cc(cc(c1OCCCF)Br)[N+](=O)[O-] 34a_100010889268_100011934791 [0,2,0,0,0,0|1,0,0]=3 4591 B16R1.60142 Cc1cc(cc(c1OCCCF)Br)[N+](=O)[O-] 7a_100010889268_100011934791 [0,2,0,0,0,0|1,0,0]=3 4592 B16R1.60142 Cc1cc(cc(c1OCCCF)C)[N+](=O)[O-] 34a_100011217877_100011934791 [0,2,0,0,0,0|1,0,0]=3 4593 B16R1.60142 Cc1cc(cc(c1OCCCF)C)[N+](=O)[O-] 7a_100011217877_100011934791 [0,2,0,0,0,0|1,0,0]=3 4594 B16R1.60142 Cc1cc(cc(c1OCCCO)Br)[N+](=O)[O-] 34a_100010889268_100000230001 [0,2,0,0,0,0|0,0,0]=2 4595 B16R1.60142 Cc1cc(cc(c1OCCCO)Br)[N+](=O)[O-] 7a_100010889268_100011215043 [0,2,0,0,0,0|0,0,0]=2 4596 B16R1.60142 Cc1cc(cc(c1OCCCO)C)[N+](=O)[O-] 34a_100011217877_100000230001 [0,2,0,0,0,0|0,0,0]=2 4597 B16R1.60142 Cc1cc(cc(c1OCCCO)C)[N+](=O)[O-] 7a_100011217877_100011215043 [0,2,0,0,0,0|0,0,0]=2 4598 B16R1.60142 N#CCCOc1c(cc(cc1Br)[N+](=O)[O-])Br 7a_100000184107_100000184422 [0,2,0,0,0,0|1,0,1]=4 4599 B16R1.60142 N#CCCOc1c(cc(cc1Br)[N+](=O)[O-])Cl 7a_100010769427_100000184422 [0,2,0,0,0,0|1,0,1]=4 4600 B16R1.60142 N#CCCOc1c(cc(cc1Br)[N+](=O)[O-])F 7a_200011830256_100000184422 [0,2,0,0,0,0|1,0,1]=4 4601 B16R1.60142 N#CCCOc1c(cc(cc1Cl)[N+](=O)[O-])Cl 7a_100000211554_100000184422 [0,2,0,0,0,0|1,0,1]=4 4602 B16R1.60142 N#CCCOc1c(cc(cc1Cl)[N+](=O)[O-])N 7a_100000029776_100000184422 [0,2,0,0,0,0|1,0,1]=4 4603 B16R1.60142 N#CCCOc1c(cc(cc1F)[N+](=O)[O-])F 7a_100011219396_100000184422 [0,2,0,0,0,0|1,0,1]=4 4604 B16R1.60142 N#CCCOc1c(cc(cc1I)[N+](=O)[O-])I 7a_100000032127_100000184422 [0,2,0,0,0,0|1,0,1]=4 4605 B16R1.60142 Nc1cc(cc(c1OCCCF)Cl)[N+](=O)[O-] 34a_100000029776_100011934791 [0,2,0,0,0,0|1,0,0]=3 4606 B16R1.60142 Nc1cc(cc(c1OCCCF)Cl)[N+](=O)[O-] 7a_100000029776_100011934791 [0,2,0,0,0,0|1,0,0]=3 4607 B16R1.60142 Nc1cc(cc(c1OCCCO)Cl)[N+](=O)[O-] 34a_100000029776_100000230001 [0,2,0,0,0,0|0,0,0]=2 4608 B16R1.60142 Nc1cc(cc(c1OCCCO)Cl)[N+](=O)[O-] 7a_100000029776_100011215043 [0,2,0,0,0,0|0,0,0]=2 4609 B16R1.60142 O=[N+]([O-])c1cc(c(c(c1)Br)CNCCO)Br 2230a_100016997473_200020889872 [0,2,0,0,0,0|2,0,0]=4 4610 B16R1.60142 O=[N+]([O-])c1cc(c(c(c1)Br)CNCCO)Br 34a_100016990907_200020889872 [0,2,0,0,0,0|2,0,0]=4 4611 B16R1.60142 O=[N+]([O-])c1cc(c(c(c1)Br)CSCCO)Br 62a_200020889872_100000211926 [0,2,0,0,0,0|2,0,0]=4 4612 B16R1.60142 O=[N+]([O-])c1cc(c(c(c1)Br)OCCCF)Br 7a_100000184107_100011934791 [0,2,0,0,0,0|1,0,0]=3 4613 B16R1.60142 O=[N+]([O-])c1cc(c(c(c1)Br)OCCCF)Cl 34a_100010769427_100011934791 [0,2,0,0,0,0|1,0,0]=3 4614 B16R1.60142 O=[N+]([O-])c1cc(c(c(c1)Br)OCCCF)Cl 7a_100010769427_100011934791 [0,2,0,0,0,0|1,0,0]=3 4615 B16R1.60142 O=[N+]([O-])c1cc(c(c(c1)Br)OCCCF)F 34a_200011830256_100011934791 [0,2,0,0,0,0|1,0,0]=3 4616 B16R1.60142 O=[N+]([O-])c1cc(c(c(c1)Br)OCCCF)F 7a_200011830256_100011934791 [0,2,0,0,0,0|1,0,0]=3 4617 B16R1.60142 O=[N+]([O-])c1cc(c(c(c1)Br)OCCCO)Br 7a_100000184107_100011215043 [0,2,0,0,0,0|0,0,0]=2 4618 B16R1.60142 O=[N+]([O-])c1cc(c(c(c1)Br)OCCCO)Cl 34a_100010769427_100000230001 [0,2,0,0,0,0|0,0,0]=2 4619 B16R1.60142 O=[N+]([O-])c1cc(c(c(c1)Br)OCCCO)Cl 7a_100010769427_100011215043 [0,2,0,0,0,0|0,0,0]=2 4620 B16R1.60142 O=[N+]([O-])c1cc(c(c(c1)Br)OCCCO)F 34a_200011830256_100000230001 [0,2,0,0,0,0|0,0,0]=2 4621 B16R1.60142 O=[N+]([O-])c1cc(c(c(c1)Br)OCCCO)F 7a_200011830256_100011215043 [0,2,0,0,0,0|0,0,0]=2 4622 B16R1.60142 O=[N+]([O-])c1cc(c(c(c1)Cl)OCCCF)Cl 34a_100000211554_100011934791 [0,2,0,0,0,0|1,0,0]=3 4623 B16R1.60142 O=[N+]([O-])c1cc(c(c(c1)Cl)OCCCF)Cl 7a_100000211554_100011934791 [0,2,0,0,0,0|1,0,0]=3 4624 B16R1.60142 O=[N+]([O-])c1cc(c(c(c1)Cl)OCCCO)Cl 34a_100000211554_100000230001 [0,2,0,0,0,0|0,0,0]=2 4625 B16R1.60142 O=[N+]([O-])c1cc(c(c(c1)Cl)OCCCO)Cl 7a_100000211554_100011215043 [0,2,0,0,0,0|0,0,0]=2 4626 B16R1.60142 O=[N+]([O-])c1cc(c(c(c1)F)NCCCF)F 34a_100011217156_100011934791 [0,2,0,0,0,0|2,0,0]=4 4627 B16R1.60142 O=[N+]([O-])c1cc(c(c(c1)F)NCCCO)F 34a_100011217156_100000230001 [0,2,0,0,0,0|1,0,0]=3 4628 B16R1.60142 O=[N+]([O-])c1cc(c(c(c1)F)OCCCF)F 34a_100011219396_100011934791 [0,2,0,0,0,0|1,0,0]=3 4629 B16R1.60142 O=[N+]([O-])c1cc(c(c(c1)F)OCCCF)F 7a_100011219396_100011934791 [0,2,0,0,0,0|1,0,0]=3 4630 B16R1.60142 O=[N+]([O-])c1cc(c(c(c1)F)OCCCO)F 34a_100011219396_100000230001 [0,2,0,0,0,0|0,0,0]=2 4631 B16R1.60142 O=[N+]([O-])c1cc(c(c(c1)F)OCCCO)F 7a_100011219396_100011215043 [0,2,0,0,0,0|0,0,0]=2 4632 B16R1.60142 O=[N+]([O-])c1cc(c(c(c1)I)OCCCF)I 7a_100000032127_100011934791 [0,2,0,0,0,0|1,0,0]=3 4633 B16R1.60142 O=[N+]([O-])c1cc(c(c(c1)I)OCCCO)I 7a_100000032127_100011215043 [0,2,0,0,0,0|0,0,0]=2 4634 B16R1.352 CC(=O)c1ccc(cc1)OCC(C)(C)CO 34a_100000185113_100009813988 [0,2,0,0,0,0|2,0,0]=4 4635 B16R1.352 CC(=O)c1ccc(cc1)OCC(C)(C)CO 7a_100000185113_100009813988 [0,2,0,0,0,0|2,0,0]=4 4636 B16R1.352 CC(C)(CO)CNc1ccc(cc1)[N+](=O)[O-] 34a_100015195142_100009813988 [0,2,0,0,0,0|1,0,0]=3 4637 B16R1.352 CC(C)(CO)COc1ccc(cc1)C(=O)N 34a_100000746352_100009813988 [0,2,0,0,0,0|2,0,0]=4 4638 B16R1.352 CC(C)(CO)COc1ccc(cc1)C(=O)N 7a_100000746352_100009813988 [0,2,0,0,0,0|2,0,0]=4 4639 B16R1.352 CC(C)(CO)COc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_100009813988 [0,2,0,0,0,0|0,0,0]=2 4640 B16R1.352 CC(C)(CO)COc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_100009813988 [0,2,0,0,0,0|0,0,0]=2 4641 B16R1.352 CC(C)(CO)COc1ccc(nc1)[N+](=O)[O-] 7a_100000060138_100009813988 [0,2,0,0,0,0|1,0,0]=3 4642 B16R1.352 CC(C)(CO)NCc1ccc(cc1)[N+](=O)[O-] 207a_100000210608_100000189386 [0,2,0,0,0,0|2,0,0]=4 4643 B16R1.352 CC(C)(CO)NCc1ccc(cc1)[N+](=O)[O-] 2230a_100000210608_100000181861 [0,2,0,0,0,0|2,0,0]=4 4644 B16R1.352 CC(C)(CO)NCc1ccc(cc1)[N+](=O)[O-] 270004a_100000210608_100000189386 [0,2,0,0,0,0|2,0,0]=4 4645 B16R1.352 COC(C)(C)COc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_100000701081 [0,2,0,0,0,0|2,0,0]=4 4646 B16R1.352 CS(=O)c1ccc(cc1)OCC(C)(C)CO 34a_200000064373_100009813988 [0,2,0,0,0,0|2,0,0]=4 4647 B16R1.352 CS(=O)c1ccc(cc1)OCC(C)(C)CO 7a_200000064373_100009813988 [0,2,0,0,0,0|2,0,0]=4 4648 B16R1.352 O=[N+]([O-])c1ccc(cc1)CSC(F)(F)CO 62a_100011217949_100000184243 [0,2,0,0,0,0|2,0,0]=4 4649 B16R1.552 C=C[C@@H](CO)NCc1ccc(cc1)[N+](=O)[O-] 2230a_100016989147_100000181861 [0,2,0,0,0,0|2,0,0]=4 4650 B16R1.552 C=C[C@@H](CO)NCc1ccc(cc1)[N+](=O)[O-] 270004a_100016989147_100000189386 [0,2,0,0,0,0|2,0,0]=4 4651 B16R1.552 C=C[C@@H](CO)NCc1ccc(cc1)[N+](=O)[O-] 34a_100016989147_100000181861 [0,2,0,0,0,0|2,0,0]=4 4652 B16R1.552 CCC(CC)CNc1ccc(cc1)[N+](=O)[O-] 2230a_100015195142_100011215472 [0,2,0,0,0,0|2,0,0]=4 4653 B16R1.552 CCC(CC)CNc1ccc(cc1)[N+](=O)[O-] 34a_100015195142_100011215472 [0,2,0,0,0,0|2,0,0]=4 4654 B16R1.552 CCC(CC)COc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_100011215472 [0,2,0,0,0,0|1,0,0]=3 4655 B16R1.552 CCC(CC)COc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_100011215472 [0,2,0,0,0,0|1,0,0]=3 4656 B16R1.552 CCC(CC)COc1ccc(nc1)[N+](=O)[O-] 7a_100000060138_100011215472 [0,2,0,0,0,0|2,0,0]=4 4657 B16R1.552 CC[C@@H](CO)NCc1ccc(cc1)[N+](=O)[O-] 207a_100000709445_100000189386 [0,2,0,0,0,0|2,0,0]=4 4658 B16R1.552 CC[C@@H](CO)NCc1ccc(cc1)[N+](=O)[O-] 2230a_100000709445_100000181861 [0,2,0,0,0,0|2,0,0]=4 4659 B16R1.552 CC[C@@H](CO)NCc1ccc(cc1)[N+](=O)[O-] 270004a_100000709445_100000189386 [0,2,0,0,0,0|2,0,0]=4 4660 B16R1.552 COC(COc1ccc(cc1)[N+](=O)[O-])OC 34a_100000185810_100000211822 [0,2,0,0,0,0|2,0,0]=4 4661 B16R1.552 COC(COc1ccc(cc1)[N+](=O)[O-])OC 7a_100000185810_100000751394 [0,2,0,0,0,0|2,0,0]=4 4662 B16R1.552 O=[N+]([O-])c1ccc(cc1)CNC(CO)CO 207a_100000759517_100000189386 [0,2,0,0,0,0|2,0,0]=4 4663 B16R1.552 O=[N+]([O-])c1ccc(cc1)CNC(CO)CO 2230a_100000759517_100000181861 [0,2,0,0,0,0|2,0,0]=4 4664 B16R1.864 CC(CO)N[C@@H](C)c1ccc(cc1)[N+](=O)[O-] 2230a_100000008510_100012180447 [0,2,0,0,0,0|2,0,0]=4 4665 B16R1.864 CC(CO)OC(C)c1ccc(cc1)[N+](=O)[O-] 34a_100000246459_100012180447 [0,2,0,0,0,0|2,0,0]=4 4666 B16R1.864 CC(CO)OC(C)c1ccc(cc1)[N+](=O)[O-] 7a_100000246459_100012180447 [0,2,0,0,0,0|2,0,0]=4 4667 B16R1.864 CC(N[C@H](C)CO)c1ccc(cc1)[N+](=O)[O-] 2230a_100000737577_100000684656 [0,2,0,0,0,0|2,0,0]=4 4668 B16R1.864 CCC(C)CC(=O)c1ccc(cc1)[N+](=O)[O-] 1458a_100000185811_100000748023 [0,2,0,0,0,0|2,0,0]=4 4669 B16R1.864 CCC(C)CN(C)c1ccc(cc1)[N+](=O)[O-] 2230a_100000156523_100000748023 [0,2,0,0,0,0|2,0,0]=4 4670 B16R1.864 CCC(C)CN(C)c1ccc(cc1)[N+](=O)[O-] 269982a_100000156523_100000748023 [0,2,0,0,0,0|2,0,0]=4 4671 B16R1.864 CCC(C)CN(C)c1ccc(cc1)[N+](=O)[O-] 34a_100000156523_100000748023 [0,2,0,0,0,0|2,0,0]=4 4672 B16R1.864 CCC(O)CC(=O)c1ccc(cc1)[N+](=O)[O-] 1458a_100000185811_100011218378 [0,2,0,0,0,0|2,0,0]=4 4673 B16R1.864 CCC(O)CN(C)c1ccc(cc1)[N+](=O)[O-] 2230a_100000156523_100011218378 [0,2,0,0,0,0|2,0,0]=4 4674 B16R1.864 CCC(O)CN(C)c1ccc(cc1)[N+](=O)[O-] 269982a_100000156523_100011218378 [0,2,0,0,0,0|2,0,0]=4 4675 B16R1.864 CCC(O)CN(C)c1ccc(cc1)[N+](=O)[O-] 34a_100000156523_100011218378 [0,2,0,0,0,0|2,0,0]=4 4676 B16R1.864 CC[C@H](C)CC(=O)c1ccc(cc1)[N+](=O)[O-] 1458a_100000185811_100009816398 [0,2,0,0,0,0|2,0,0]=4 4677 B16R1.864 CC[C@H](C)CN(C)c1ccc(cc1)[N+](=O)[O-] 2230a_100000156523_100009816398 [0,2,0,0,0,0|2,0,0]=4 4678 B16R1.864 CC[C@H](C)CN(C)c1ccc(cc1)[N+](=O)[O-] 269982a_100000156523_100009816398 [0,2,0,0,0,0|2,0,0]=4 4679 B16R1.864 CC[C@H](C)CN(C)c1ccc(cc1)[N+](=O)[O-] 34a_100000156523_100009816398 [0,2,0,0,0,0|2,0,0]=4 4680 B16R1.864 CN(CC(O)CO)c1ccc(cc1)[N+](=O)[O-] 2230a_100000156523_100011219619 [0,2,0,0,0,0|1,0,0]=3 4681 B16R1.864 CN(CC(O)CO)c1ccc(cc1)[N+](=O)[O-] 34a_100000156523_100011219619 [0,2,0,0,0,0|1,0,0]=3 4682 B16R1.864 CN(C[C@@H](O)CF)c1ccc(cc1)[N+](=O)[O-] 2230a_100000156523_100015614560 [0,2,0,0,0,0|2,0,0]=4 4683 B16R1.864 CN(C[C@@H](O)CF)c1ccc(cc1)[N+](=O)[O-] 34a_100000156523_100015614560 [0,2,0,0,0,0|2,0,0]=4 4684 B16R1.864 CN(C[C@@H](O)CO)c1ccc(cc1)[N+](=O)[O-] 2230a_100000156523_100009815848 [0,2,0,0,0,0|1,0,0]=3 4685 B16R1.864 CN(C[C@@H](O)CO)c1ccc(cc1)[N+](=O)[O-] 34a_100000156523_100009815848 [0,2,0,0,0,0|1,0,0]=3 4686 B16R1.864 C[C@@H](CO)CC(=O)c1ccc(cc1)[N+](=O)[O-] 1458a_100000185811_100000059175 [0,2,0,0,0,0|1,0,0]=3 4687 B16R1.864 C[C@@H](CO)CN(C)c1ccc(cc1)[N+](=O)[O-] 2230a_100000156523_100000059175 [0,2,0,0,0,0|1,0,0]=3 4688 B16R1.864 C[C@@H](CO)CN(C)c1ccc(cc1)[N+](=O)[O-] 269982a_100000156523_100000059175 [0,2,0,0,0,0|1,0,0]=3 4689 B16R1.864 C[C@@H](CO)CN(C)c1ccc(cc1)[N+](=O)[O-] 34a_100000156523_100000059175 [0,2,0,0,0,0|1,0,0]=3 4690 B16R1.864 C[C@H](CO)NC(=O)c1ccc(cc1)[N+](=O)[O-] 240690a_100000737577_100000185811 [0,2,0,0,0,0|2,0,0]=4 4691 B16R1.864 C[C@H](CO)NC(=O)c1ccc(cc1)[N+](=O)[O-] 527a_100000737577_100000185811 [0,2,0,0,0,0|2,0,0]=4 4692 B16R1.864 O=C(CO)CC(=O)c1ccc(cc1)[N+](=O)[O-] 1458a_100000210174_100000195401 [0,2,0,0,0,0|1,0,1]=4 4693 B16R1.925 C#CCC(=O)COc1ccc(cc1)[N+](=O)[O-] 1458a_100000181393_100000184674 [0,2,0,0,0,0|1,0,1]=4 4694 B16R1.925 C#CCC(C)OCc1ccc(cc1)[N+](=O)[O-] 34a_100000685586_100000181861 [0,2,0,0,0,0|1,0,1]=4 4695 B16R1.925 C#CCC(C)OCc1ccc(cc1)[N+](=O)[O-] 7a_100000685586_100000181861 [0,2,0,0,0,0|1,0,1]=4 4696 B16R1.925 C=CCC(=O)COc1ccc(cc1)[N+](=O)[O-] 1458a_100000181393_100000210623 [0,2,0,0,0,0|1,0,1]=4 4697 B16R1.925 C=CC[C@@H](C)OCc1ccc(cc1)[N+](=O)[O-] 34a_100000731007_100000181861 [0,2,0,0,0,0|1,0,1]=4 4698 B16R1.925 C=CC[C@@H](C)OCc1ccc(cc1)[N+](=O)[O-] 7a_100000731007_100000181861 [0,2,0,0,0,0|1,0,1]=4 4699 B16R1.925 CC(=O)c1ccc(cc1)COC(C)CCO 7a_100000082505_100009893172 [0,2,0,0,0,0|2,0,0]=4 4700 B16R1.925 CC(CCBr)OCc1ccc(cc1)[N+](=O)[O-] 34a_100012276601_100000181861 [0,2,0,0,0,0|1,0,0]=3 4701 B16R1.925 CC(CCO)NCc1ccc(cc1)[N+](=O)[O-] 2230a_100000742766_100009893172 [0,2,0,0,0,0|1,0,0]=3 4702 B16R1.925 CC(CCO)NCc1ccc(cc1)[N+](=O)[O-] 34a_100000742766_100009893172 [0,2,0,0,0,0|1,0,0]=3 4703 B16R1.925 CC(CCO)OCc1ccc(cc1)C(=O)N 34a_100000162016_100009893172 [0,2,0,0,0,0|2,0,0]=4 4704 B16R1.925 CC(CCO)OCc1ccc(cc1)C(=O)N 7a_100000162016_100009893172 [0,2,0,0,0,0|2,0,0]=4 4705 B16R1.925 CC(CCO)OCc1ccc(cc1)[N+](=O)[O-] 34a_100000211695_100009893172 [0,2,0,0,0,0|0,0,0]=2 4706 B16R1.925 CC(CCO)SCc1ccc(cc1)[N+](=O)[O-] 62a_100009893172_100000184243 [0,2,0,0,0,0|0,1,0]=3 4707 B16R1.925 CC(CCc1ccc(cc1)[N+](=O)[O-])OCF 34a_200011539411_100015361967 [0,2,0,0,0,0|2,0,0]=4 4708 B16R1.925 CC(CCc1ccc(cc1)[N+](=O)[O-])OCF 7a_200011539411_100015361967 [0,2,0,0,0,0|2,0,0]=4 4709 B16R1.925 CCCC(=O)CCc1ccc(cc1)[N+](=O)[O-] 1458a_100000211992_100000736421 [0,2,0,0,0,0|2,0,0]=4 4710 B16R1.925 CCCC(=O)CCc1ccc(cc1)[N+](=O)[O-] 1458a_100000741710_100000210303 [0,2,0,0,0,0|2,0,0]=4 4711 B16R1.925 CCCC(=O)CNc1ccc(cc1)[N+](=O)[O-] 2230a_100015195142_100000747444 [0,2,0,0,0,0|2,0,0]=4 4712 B16R1.925 CCCC(=O)COc1ccc(cc1)[N+](=O)[O-] 1458a_100000181393_100000210303 [0,2,0,0,0,0|1,0,0]=3 4713 B16R1.925 CCCC(=O)COc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_100000747444 [0,2,0,0,0,0|1,0,0]=3 4714 B16R1.925 CCCC(=O)COc1ccc(nc1)[N+](=O)[O-] 7a_100000060138_100000747444 [0,2,0,0,0,0|2,0,0]=4 4715 B16R1.925 CCCC(=O)CSc1ccc(cc1)[N+](=O)[O-] 1458a_100000156286_100000210303 [0,2,0,0,0,0|1,1,0]=4 4716 B16R1.925 CCCC(C)CNc1ccc(cc1)[N+](=O)[O-] 2230a_100015195142_100011216630 [0,2,0,0,0,0|2,0,0]=4 4717 B16R1.925 CCCC(C)CNc1ccc(cc1)[N+](=O)[O-] 34a_100015195142_100011216630 [0,2,0,0,0,0|2,0,0]=4 4718 B16R1.925 CCCC(C)COc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_100011216630 [0,2,0,0,0,0|1,0,0]=3 4719 B16R1.925 CCCC(C)COc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_100011216630 [0,2,0,0,0,0|1,0,0]=3 4720 B16R1.925 CCCC(C)COc1ccc(nc1)[N+](=O)[O-] 7a_100000060138_100011216630 [0,2,0,0,0,0|2,0,0]=4 4721 B16R1.925 CCCC(C)NCc1ccc(cc1)[N+](=O)[O-] 207a_100000741246_100000189386 [0,2,0,0,0,0|2,0,0]=4 4722 B16R1.925 CCCC(C)NCc1ccc(cc1)[N+](=O)[O-] 2230a_100000741246_100000181861 [0,2,0,0,0,0|2,0,0]=4 4723 B16R1.925 CCCC(C)NCc1ccc(cc1)[N+](=O)[O-] 2230a_100000742766_100000766640 [0,2,0,0,0,0|2,0,0]=4 4724 B16R1.925 CCCC(C)NCc1ccc(cc1)[N+](=O)[O-] 270004a_100000741246_100000189386 [0,2,0,0,0,0|2,0,0]=4 4725 B16R1.925 CCCC(C)NCc1ccc(cc1)[N+](=O)[O-] 270004a_100000742766_100000211909 [0,2,0,0,0,0|2,0,0]=4 4726 B16R1.925 CCCC(C)NCc1ccc(cc1)[N+](=O)[O-] 34a_100000742766_100000766640 [0,2,0,0,0,0|2,0,0]=4 4727 B16R1.925 CCCC(C)OCc1ccc(cc1)[N+](=O)[O-] 34a_100000211695_100000766640 [0,2,0,0,0,0|1,0,0]=3 4728 B16R1.925 CCCC(C)OCc1ccc(cc1)[N+](=O)[O-] 34a_100000764384_100000181861 [0,2,0,0,0,0|1,0,0]=3 4729 B16R1.925 CCCC(C)OCc1ccc(cc1)[N+](=O)[O-] 7a_100000764384_100000181861 [0,2,0,0,0,0|1,0,0]=3 4730 B16R1.925 CCCC(C)SCc1ccc(cc1)[N+](=O)[O-] 62a_100000766640_100000184243 [0,2,0,0,0,0|1,1,0]=4 4731 B16R1.925 CCCN(C)CCc1ccc(cc1)[N+](=O)[O-] 2230a_100000009637_100000210303 [0,2,0,0,0,0|2,0,0]=4 4732 B16R1.925 CCCN(C)CCc1ccc(cc1)[N+](=O)[O-] 2230a_100000747261_100000736421 [0,2,0,0,0,0|2,0,0]=4 4733 B16R1.925 CCCN(C)CCc1ccc(cc1)[N+](=O)[O-] 269982a_100000009637_100000210303 [0,2,0,0,0,0|2,0,0]=4 4734 B16R1.925 CCCN(C)CCc1ccc(cc1)[N+](=O)[O-] 269982a_100000747261_100000736421 [0,2,0,0,0,0|2,0,0]=4 4735 B16R1.925 CCNC(=O)COc1ccc(cc1)[N+](=O)[O-] 11a_100015525214_100000181393 [0,2,0,0,0,0|1,0,1]=4 4736 B16R1.925 CCNC(=O)COc1ccc(cc1)[N+](=O)[O-] 240690a_100015525214_100000181393 [0,2,0,0,0,0|1,0,1]=4 4737 B16R1.925 CCNC(=O)COc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_100000183381 [0,2,0,0,0,0|1,0,1]=4 4738 B16R1.925 CCNC(=O)COc1ccc(cc1)[N+](=O)[O-] 527a_100015525214_100000181393 [0,2,0,0,0,0|1,0,1]=4 4739 B16R1.925 CCNC(=O)COc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_100000183381 [0,2,0,0,0,0|1,0,1]=4 4740 B16R1.925 CCNC(C)CCc1ccc(cc1)[N+](=O)[O-] 270004a_100015525214_100011279155 [0,2,0,0,0,0|2,0,0]=4 4741 B16R1.925 CCOC(=O)COc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_100000188475 [0,2,0,0,0,0|1,0,1]=4 4742 B16R1.925 CCOC(=O)COc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_100000188475 [0,2,0,0,0,0|1,0,1]=4 4743 B16R1.925 CCOC(C)CCc1ccc(cc1)[N+](=O)[O-] 34a_200011539411_100000210202 [0,2,0,0,0,0|2,0,0]=4 4744 B16R1.925 CCOC(C)CCc1ccc(cc1)[N+](=O)[O-] 7a_200011539411_100000210202 [0,2,0,0,0,0|2,0,0]=4 4745 B16R1.925 CN(CCF)CCc1ccc(cc1)[N+](=O)[O-] 2230a_100000009637_100011217306 [0,2,0,0,0,0|2,0,0]=4 4746 B16R1.925 CN(CCF)CCc1ccc(cc1)[N+](=O)[O-] 269982a_100000009637_100011217306 [0,2,0,0,0,0|2,0,0]=4 4747 B16R1.925 CN(CCO)CCc1ccc(cc1)[N+](=O)[O-] 2230a_100000009637_100000211926 [0,2,0,0,0,0|1,0,0]=3 4748 B16R1.925 CN(CCO)CCc1ccc(cc1)[N+](=O)[O-] 2230a_100000210263_100000736421 [0,2,0,0,0,0|1,0,0]=3 4749 B16R1.925 CN(CCO)CCc1ccc(cc1)[N+](=O)[O-] 269982a_100000009637_100000211926 [0,2,0,0,0,0|1,0,0]=3 4750 B16R1.925 CN(CCO)CCc1ccc(cc1)[N+](=O)[O-] 269982a_100000210263_100000736421 [0,2,0,0,0,0|1,0,0]=3 4751 B16R1.925 COCC(=O)CCc1ccc(cc1)[N+](=O)[O-] 1458a_100000210968_100000736421 [0,2,0,0,0,0|1,0,1]=4 4752 B16R1.925 COCC(C)NCc1ccc(cc1)[N+](=O)[O-] 2230a_100000742766_100000765312 [0,2,0,0,0,0|2,0,0]=4 4753 B16R1.925 COCC(C)NCc1ccc(cc1)[N+](=O)[O-] 270004a_100000742766_100000749346 [0,2,0,0,0,0|2,0,0]=4 4754 B16R1.925 COCC(C)NCc1ccc(cc1)[N+](=O)[O-] 34a_100000742766_100000765312 [0,2,0,0,0,0|2,0,0]=4 4755 B16R1.925 COCC(C)OCc1ccc(cc1)[N+](=O)[O-] 34a_100000211695_100000765312 [0,2,0,0,0,0|2,0,0]=4 4756 B16R1.925 COCC(C)SCc1ccc(cc1)[N+](=O)[O-] 62a_100000765312_100000184243 [0,2,0,0,0,0|2,0,0]=4 4757 B16R1.925 COCC(O)CNc1ccc(cc1)[N+](=O)[O-] 34a_100015195142_100011215053 [0,2,0,0,0,0|1,0,0]=3 4758 B16R1.925 COCC(O)COc1ccc(cc1)C(=O)C 34a_100000185113_100011215053 [0,2,0,0,0,0|2,0,0]=4 4759 B16R1.925 COCC(O)COc1ccc(cc1)C(=O)C 7a_100000185113_100011215053 [0,2,0,0,0,0|2,0,0]=4 4760 B16R1.925 COCC(O)COc1ccc(cc1)C(=O)N 34a_100000746352_100011215053 [0,2,0,0,0,0|2,0,0]=4 4761 B16R1.925 COCC(O)COc1ccc(cc1)C(=O)N 7a_100000746352_100011215053 [0,2,0,0,0,0|2,0,0]=4 4762 B16R1.925 COCC(O)COc1ccc(cc1)S(=O)C 34a_200000064373_100011215053 [0,2,0,0,0,0|2,0,0]=4 4763 B16R1.925 COCC(O)COc1ccc(cc1)S(=O)C 7a_200000064373_100011215053 [0,2,0,0,0,0|2,0,0]=4 4764 B16R1.925 COCC(O)COc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_100011215053 [0,2,0,0,0,0|0,0,0]=2 4765 B16R1.925 COCC(O)COc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_100011215053 [0,2,0,0,0,0|0,0,0]=2 4766 B16R1.925 COCC(O)COc1ccc(nc1)[N+](=O)[O-] 7a_100000060138_100011215053 [0,2,0,0,0,0|1,0,0]=3 4767 B16R1.925 COCN(C)CCc1ccc(cc1)[N+](=O)[O-] 2230a_100000009637_100000766300 [0,2,0,0,0,0|2,0,0]=4 4768 B16R1.925 COCN(C)CCc1ccc(cc1)[N+](=O)[O-] 269982a_100000009637_100000766300 [0,2,0,0,0,0|2,0,0]=4 4769 B16R1.925 COC[C@@H](C)NCc1ccc(cc1)[N+](=O)[O-] 207a_100000764878_100000189386 [0,2,0,0,0,0|2,0,0]=4 4770 B16R1.925 COC[C@@H](C)NCc1ccc(cc1)[N+](=O)[O-] 2230a_100000764878_100000181861 [0,2,0,0,0,0|2,0,0]=4 4771 B16R1.925 COC[C@@H](C)NCc1ccc(cc1)[N+](=O)[O-] 270004a_100000764878_100000189386 [0,2,0,0,0,0|2,0,0]=4 4772 B16R1.925 COC[C@@H](C)OCc1ccc(cc1)[N+](=O)[O-] 34a_100011934205_100000181861 [0,2,0,0,0,0|2,0,0]=4 4773 B16R1.925 C[C@H](CCO)NCc1ccc(cc1)[N+](=O)[O-] 207a_100000706166_100000189386 [0,2,0,0,0,0|1,0,0]=3 4774 B16R1.925 C[C@H](CCO)NCc1ccc(cc1)[N+](=O)[O-] 2230a_100000706166_100000181861 [0,2,0,0,0,0|1,0,0]=3 4775 B16R1.925 C[C@H](CCO)NCc1ccc(cc1)[N+](=O)[O-] 270004a_100000706166_100000189386 [0,2,0,0,0,0|1,0,0]=3 4776 B16R1.925 C[C@H](CCO)NCc1ccc(cc1)[N+](=O)[O-] 34a_100000706166_100000181861 [0,2,0,0,0,0|1,0,0]=3 4777 B16R1.925 N#CCC(=O)COc1ccc(cc1)[N+](=O)[O-] 1458a_100000181393_100011214920 [0,2,0,0,0,0|1,0,1]=4 4778 B16R1.925 N#CC[C@H](O)CNc1ccc(cc1)[N+](=O)[O-] 2230a_100015195142_100000001066 [0,2,0,0,0,0|2,0,0]=4 4779 B16R1.925 N#CC[C@H](O)COc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_100000001066 [0,2,0,0,0,0|1,0,0]=3 4780 B16R1.925 N#CC[C@H](O)COc1ccc(nc1)[N+](=O)[O-] 7a_100000060138_100000001066 [0,2,0,0,0,0|2,0,0]=4 4781 B16R1.925 O=C(C=Cc1ccc(cc1)[N+](=O)[O-])CCO 1458a_100000182685_100000211926 [0,2,0,0,0,0|1,0,1]=4 4782 B16R1.925 O=C(CCF)CCc1ccc(cc1)[N+](=O)[O-] 1458a_100000741710_100011217306 [0,2,0,0,0,0|2,0,0]=4 4783 B16R1.925 O=C(CCF)COc1ccc(cc1)[N+](=O)[O-] 1458a_100000181393_100011217306 [0,2,0,0,0,0|1,0,0]=3 4784 B16R1.925 O=C(CCF)CSc1ccc(cc1)[N+](=O)[O-] 1458a_100000156286_100011217306 [0,2,0,0,0,0|1,1,0]=4 4785 B16R1.925 O=C(CCO)CCc1ccc(cc1)[N+](=O)[O-] 1458a_100000741710_100000211926 [0,2,0,0,0,0|1,0,0]=3 4786 B16R1.925 O=C(CCO)CCc1ccc(cc1)[N+](=O)[O-] 1458a_100011216618_100000736421 [0,2,0,0,0,0|1,0,0]=3 4787 B16R1.925 O=C(CCO)COc1ccc(cc1)[N+](=O)[O-] 1458a_100000181393_100000211926 [0,2,0,0,0,0|0,0,0]=2 4788 B16R1.925 O=C(CCO)CSc1ccc(cc1)[N+](=O)[O-] 1458a_100000156286_100000211926 [0,2,0,0,0,0|0,1,0]=3 4789 B16R1.925 O=C(CCO)NCc1ccc(cc1)[N+](=O)[O-] 240690a_100000742766_100011216618 [0,2,0,0,0,0|1,0,1]=4 4790 B16R1.925 O=C(CCO)NNc1ccc(cc1)[N+](=O)[O-] 22a_100000006255_100011216618 [0,2,0,0,0,0|1,0,1]=4 4791 B16R1.925 O=C(CNc1ccc(cc1)[N+](=O)[O-])NCO 2230a_100015195142_100000185155 [0,2,0,0,0,0|1,0,1]=4 4792 B16R1.925 O=C(CNc1ccc(cc1)[N+](=O)[O-])NCO 34a_100015195142_100000185155 [0,2,0,0,0,0|1,0,1]=4 4793 B16R1.925 O=C(COc1ccc(cc1)[N+](=O)[O-])NCO 34a_100000185810_100000185155 [0,2,0,0,0,0|0,0,1]=3 4794 B16R1.925 O=C(COc1ccc(cc1)[N+](=O)[O-])NCO 7a_100000185810_100000185155 [0,2,0,0,0,0|0,0,1]=3 4795 B16R1.925 O=C(COc1ccc(nc1)[N+](=O)[O-])NCO 7a_100000060138_100000185155 [0,2,0,0,0,0|1,0,1]=4 4796 B16R1.1333 C=CC(O)COc1ccc(c(c1)Br)[N+](=O)[O-] 34a_100012356988_100000730141 [0,2,0,0,0,0|1,0,1]=4 4797 B16R1.1333 C=CC(O)COc1ccc(c(c1)Br)[N+](=O)[O-] 7a_100012356988_100000730141 [0,2,0,0,0,0|1,0,1]=4 4798 B16R1.1333 C=CC(O)COc1ccc(c(c1)C)[N+](=O)[O-] 34a_100000195451_100000730141 [0,2,0,0,0,0|1,0,1]=4 4799 B16R1.1333 C=CC(O)COc1ccc(c(c1)C)[N+](=O)[O-] 7a_100000195451_100000730141 [0,2,0,0,0,0|1,0,1]=4 4800 B16R1.1333 C=CC(O)COc1ccc(c(c1)Cl)[N+](=O)[O-] 34a_100000746235_100000730141 [0,2,0,0,0,0|1,0,1]=4 4801 B16R1.1333 C=CC(O)COc1ccc(c(c1)Cl)[N+](=O)[O-] 7a_100000746235_100000730141 [0,2,0,0,0,0|1,0,1]=4 4802 B16R1.1333 C=CC(O)COc1ccc(c(c1)F)[N+](=O)[O-] 7a_100000745333_100000730141 [0,2,0,0,0,0|1,0,1]=4 4803 B16R1.1333 C=CC(O)COc1ccc(c(c1)I)[N+](=O)[O-] 7a_100010243554_100000730141 [0,2,0,0,0,0|1,0,1]=4 4804 B16R1.1333 C=CC(O)COc1ccc(c(c1)N)[N+](=O)[O-] 7a_100000729835_100000730141 [0,2,0,0,0,0|1,0,1]=4 4805 B16R1.1333 CC(=O)c1ccc(cc1Br)OCC(O)CO 34a_100012340537_100011219619 [0,2,0,0,0,0|2,0,0]=4 4806 B16R1.1333 CC(=O)c1ccc(cc1Br)OCC(O)CO 7a_100012340537_100011219619 [0,2,0,0,0,0|2,0,0]=4 4807 B16R1.1333 CC(=O)c1ccc(cc1Br)OC[C@@H](C)CO 34a_100012340537_100000059175 [0,2,0,0,0,0|2,0,0]=4 4808 B16R1.1333 CC(=O)c1ccc(cc1Br)OC[C@@H](C)CO 7a_100012340537_100000059175 [0,2,0,0,0,0|2,0,0]=4 4809 B16R1.1333 CC(=O)c1ccc(cc1Br)OC[C@@H](O)CO 34a_100012340537_100009815848 [0,2,0,0,0,0|2,0,0]=4 4810 B16R1.1333 CC(=O)c1ccc(cc1Br)OC[C@@H](O)CO 7a_100012340537_100009815848 [0,2,0,0,0,0|2,0,0]=4 4811 B16R1.1333 CC(=O)c1ccc(cc1C)OCC(O)CO 34a_100000702595_100011219619 [0,2,0,0,0,0|2,0,0]=4 4812 B16R1.1333 CC(=O)c1ccc(cc1C)OCC(O)CO 7a_100000702595_100011219619 [0,2,0,0,0,0|2,0,0]=4 4813 B16R1.1333 CC(=O)c1ccc(cc1C)OC[C@@H](C)CO 34a_100000702595_100000059175 [0,2,0,0,0,0|2,0,0]=4 4814 B16R1.1333 CC(=O)c1ccc(cc1C)OC[C@@H](C)CO 7a_100000702595_100000059175 [0,2,0,0,0,0|2,0,0]=4 4815 B16R1.1333 CC(=O)c1ccc(cc1C)OC[C@@H](O)CO 34a_100000702595_100009815848 [0,2,0,0,0,0|2,0,0]=4 4816 B16R1.1333 CC(=O)c1ccc(cc1C)OC[C@@H](O)CO 7a_100000702595_100009815848 [0,2,0,0,0,0|2,0,0]=4 4817 B16R1.1333 CC(=O)c1ccc(cc1Cl)OCC(O)CO 34a_100011933989_100011219619 [0,2,0,0,0,0|2,0,0]=4 4818 B16R1.1333 CC(=O)c1ccc(cc1Cl)OCC(O)CO 7a_100011933989_100011219619 [0,2,0,0,0,0|2,0,0]=4 4819 B16R1.1333 CC(=O)c1ccc(cc1Cl)OC[C@@H](C)CO 34a_100011933989_100000059175 [0,2,0,0,0,0|2,0,0]=4 4820 B16R1.1333 CC(=O)c1ccc(cc1Cl)OC[C@@H](C)CO 7a_100011933989_100000059175 [0,2,0,0,0,0|2,0,0]=4 4821 B16R1.1333 CC(=O)c1ccc(cc1Cl)OC[C@@H](O)CO 34a_100011933989_100009815848 [0,2,0,0,0,0|2,0,0]=4 4822 B16R1.1333 CC(=O)c1ccc(cc1Cl)OC[C@@H](O)CO 7a_100011933989_100009815848 [0,2,0,0,0,0|2,0,0]=4 4823 B16R1.1333 CC(=O)c1ccc(cc1F)OCC(O)CO 34a_100000752407_100011219619 [0,2,0,0,0,0|2,0,0]=4 4824 B16R1.1333 CC(=O)c1ccc(cc1F)OCC(O)CO 7a_100000752407_100011219619 [0,2,0,0,0,0|2,0,0]=4 4825 B16R1.1333 CC(=O)c1ccc(cc1F)OC[C@@H](C)CO 34a_100000752407_100000059175 [0,2,0,0,0,0|2,0,0]=4 4826 B16R1.1333 CC(=O)c1ccc(cc1F)OC[C@@H](C)CO 7a_100000752407_100000059175 [0,2,0,0,0,0|2,0,0]=4 4827 B16R1.1333 CC(=O)c1ccc(cc1F)OC[C@@H](O)CO 34a_100000752407_100009815848 [0,2,0,0,0,0|2,0,0]=4 4828 B16R1.1333 CC(=O)c1ccc(cc1F)OC[C@@H](O)CO 7a_100000752407_100009815848 [0,2,0,0,0,0|2,0,0]=4 4829 B16R1.1333 CC(CO)OCc1ccc(c(c1)F)[N+](=O)[O-] 7a_100011219895_100012180447 [0,2,0,0,0,0|2,0,0]=4 4830 B16R1.1333 CCC(=O)COc1ccc(c(c1)Br)[N+](=O)[O-] 7a_100012356988_100000747405 [0,2,0,0,0,0|1,0,1]=4 4831 B16R1.1333 CCC(=O)COc1ccc(c(c1)C)[N+](=O)[O-] 1458a_100000191406_100000210202 [0,2,0,0,0,0|1,0,1]=4 4832 B16R1.1333 CCC(=O)COc1ccc(c(c1)C)[N+](=O)[O-] 7a_100000195451_100000747405 [0,2,0,0,0,0|1,0,1]=4 4833 B16R1.1333 CCC(=O)COc1ccc(c(c1)Cl)[N+](=O)[O-] 7a_100000746235_100000747405 [0,2,0,0,0,0|1,0,1]=4 4834 B16R1.1333 CCC(=O)COc1ccc(c(c1)F)[N+](=O)[O-] 1458a_100000747220_100000210202 [0,2,0,0,0,0|1,0,1]=4 4835 B16R1.1333 CCC(=O)COc1ccc(c(c1)F)[N+](=O)[O-] 7a_100000745333_100000747405 [0,2,0,0,0,0|1,0,1]=4 4836 B16R1.1333 CCC(=O)COc1ccc(c(c1)I)[N+](=O)[O-] 7a_100010243554_100000747405 [0,2,0,0,0,0|1,0,1]=4 4837 B16R1.1333 CCC(=O)COc1ccc(c(c1)N)[N+](=O)[O-] 7a_100000729835_100000747405 [0,2,0,0,0,0|1,0,1]=4 4838 B16R1.1333 CCC(C)CNc1ccc(c(c1)Br)[N+](=O)[O-] 7a_100000693983_100000748023 [0,2,0,0,0,0|2,0,0]=4 4839 B16R1.1333 CCC(C)CNc1ccc(c(c1)C)[N+](=O)[O-] 34a_100000745639_100000748023 [0,2,0,0,0,0|2,0,0]=4 4840 B16R1.1333 CCC(C)CNc1ccc(c(c1)C)[N+](=O)[O-] 7a_100000745639_100000748023 [0,2,0,0,0,0|2,0,0]=4 4841 B16R1.1333 CCC(C)CNc1ccc(c(c1)F)[N+](=O)[O-] 34a_100000741728_100000748023 [0,2,0,0,0,0|2,0,0]=4 4842 B16R1.1333 CCC(C)CNc1ccc(c(c1)F)[N+](=O)[O-] 7a_100000741728_100000748023 [0,2,0,0,0,0|2,0,0]=4 4843 B16R1.1333 CCC(C)COc1ccc(c(c1)Br)[N+](=O)[O-] 34a_100012356988_100000748023 [0,2,0,0,0,0|1,0,0]=3 4844 B16R1.1333 CCC(C)COc1ccc(c(c1)Br)[N+](=O)[O-] 7a_100012356988_100000748023 [0,2,0,0,0,0|1,0,0]=3 4845 B16R1.1333 CCC(C)COc1ccc(c(c1)C)[N+](=O)[O-] 34a_100000195451_100000748023 [0,2,0,0,0,0|1,0,0]=3 4846 B16R1.1333 CCC(C)COc1ccc(c(c1)C)[N+](=O)[O-] 7a_100000195451_100000748023 [0,2,0,0,0,0|1,0,0]=3 4847 B16R1.1333 CCC(C)COc1ccc(c(c1)Cl)[N+](=O)[O-] 34a_100000746235_100000748023 [0,2,0,0,0,0|1,0,0]=3 4848 B16R1.1333 CCC(C)COc1ccc(c(c1)Cl)[N+](=O)[O-] 7a_100000746235_100000748023 [0,2,0,0,0,0|1,0,0]=3 4849 B16R1.1333 CCC(C)COc1ccc(c(c1)F)[N+](=O)[O-] 7a_100000745333_100000748023 [0,2,0,0,0,0|1,0,0]=3 4850 B16R1.1333 CCC(C)COc1ccc(c(c1)I)[N+](=O)[O-] 7a_100010243554_100000748023 [0,2,0,0,0,0|1,0,0]=3 4851 B16R1.1333 CCC(C)COc1ccc(c(c1)N)[N+](=O)[O-] 7a_100000729835_100000748023 [0,2,0,0,0,0|1,0,0]=3 4852 B16R1.1333 CCC(O)CNc1ccc(c(c1)Br)[N+](=O)[O-] 7a_100000693983_100011218378 [0,2,0,0,0,0|2,0,0]=4 4853 B16R1.1333 CCC(O)CNc1ccc(c(c1)C)[N+](=O)[O-] 34a_100000745639_100011218378 [0,2,0,0,0,0|2,0,0]=4 4854 B16R1.1333 CCC(O)CNc1ccc(c(c1)C)[N+](=O)[O-] 7a_100000745639_100011218378 [0,2,0,0,0,0|2,0,0]=4 4855 B16R1.1333 CCC(O)CNc1ccc(c(c1)F)[N+](=O)[O-] 34a_100000741728_100011218378 [0,2,0,0,0,0|2,0,0]=4 4856 B16R1.1333 CCC(O)CNc1ccc(c(c1)F)[N+](=O)[O-] 7a_100000741728_100011218378 [0,2,0,0,0,0|2,0,0]=4 4857 B16R1.1333 CCC(O)COc1ccc(c(c1)Br)[N+](=O)[O-] 34a_100012356988_100011218378 [0,2,0,0,0,0|1,0,0]=3 4858 B16R1.1333 CCC(O)COc1ccc(c(c1)Br)[N+](=O)[O-] 7a_100012356988_100011218378 [0,2,0,0,0,0|1,0,0]=3 4859 B16R1.1333 CCC(O)COc1ccc(c(c1)C)[N+](=O)[O-] 34a_100000195451_100011218378 [0,2,0,0,0,0|1,0,0]=3 4860 B16R1.1333 CCC(O)COc1ccc(c(c1)C)[N+](=O)[O-] 7a_100000195451_100011218378 [0,2,0,0,0,0|1,0,0]=3 4861 B16R1.1333 CCC(O)COc1ccc(c(c1)Cl)[N+](=O)[O-] 34a_100000746235_100011218378 [0,2,0,0,0,0|1,0,0]=3 4862 B16R1.1333 CCC(O)COc1ccc(c(c1)Cl)[N+](=O)[O-] 7a_100000746235_100011218378 [0,2,0,0,0,0|1,0,0]=3 4863 B16R1.1333 CCC(O)COc1ccc(c(c1)F)[N+](=O)[O-] 7a_100000745333_100011218378 [0,2,0,0,0,0|1,0,0]=3 4864 B16R1.1333 CCC(O)COc1ccc(c(c1)I)[N+](=O)[O-] 7a_100010243554_100011218378 [0,2,0,0,0,0|1,0,0]=3 4865 B16R1.1333 CCC(O)COc1ccc(c(c1)N)[N+](=O)[O-] 7a_100000729835_100011218378 [0,2,0,0,0,0|1,0,0]=3 4866 B16R1.1333 CC[C@H](C)CNc1ccc(c(c1)Br)[N+](=O)[O-] 7a_100000693983_100009816398 [0,2,0,0,0,0|2,0,0]=4 4867 B16R1.1333 CC[C@H](C)CNc1ccc(c(c1)C)[N+](=O)[O-] 34a_100000745639_100009816398 [0,2,0,0,0,0|2,0,0]=4 4868 B16R1.1333 CC[C@H](C)CNc1ccc(c(c1)C)[N+](=O)[O-] 7a_100000745639_100009816398 [0,2,0,0,0,0|2,0,0]=4 4869 B16R1.1333 CC[C@H](C)CNc1ccc(c(c1)F)[N+](=O)[O-] 34a_100000741728_100009816398 [0,2,0,0,0,0|2,0,0]=4 4870 B16R1.1333 CC[C@H](C)CNc1ccc(c(c1)F)[N+](=O)[O-] 7a_100000741728_100009816398 [0,2,0,0,0,0|2,0,0]=4 4871 B16R1.1333 CC[C@H](C)COc1ccc(c(c1)Br)[N+](=O)[O-] 34a_100012356988_100009816398 [0,2,0,0,0,0|1,0,0]=3 4872 B16R1.1333 CC[C@H](C)COc1ccc(c(c1)Br)[N+](=O)[O-] 7a_100012356988_100009816398 [0,2,0,0,0,0|1,0,0]=3 4873 B16R1.1333 CC[C@H](C)COc1ccc(c(c1)C)[N+](=O)[O-] 34a_100000195451_100009816398 [0,2,0,0,0,0|1,0,0]=3 4874 B16R1.1333 CC[C@H](C)COc1ccc(c(c1)C)[N+](=O)[O-] 7a_100000195451_100009816398 [0,2,0,0,0,0|1,0,0]=3 4875 B16R1.1333 CC[C@H](C)COc1ccc(c(c1)Cl)[N+](=O)[O-] 34a_100000746235_100009816398 [0,2,0,0,0,0|1,0,0]=3 4876 B16R1.1333 CC[C@H](C)COc1ccc(c(c1)Cl)[N+](=O)[O-] 7a_100000746235_100009816398 [0,2,0,0,0,0|1,0,0]=3 4877 B16R1.1333 CC[C@H](C)COc1ccc(c(c1)F)[N+](=O)[O-] 7a_100000745333_100009816398 [0,2,0,0,0,0|1,0,0]=3 4878 B16R1.1333 CC[C@H](C)COc1ccc(c(c1)I)[N+](=O)[O-] 7a_100010243554_100009816398 [0,2,0,0,0,0|1,0,0]=3 4879 B16R1.1333 CC[C@H](C)COc1ccc(c(c1)N)[N+](=O)[O-] 7a_100000729835_100009816398 [0,2,0,0,0,0|1,0,0]=3 4880 B16R1.1333 C[C@@H](CO)CNc1ccc(c(c1)Br)[N+](=O)[O-] 7a_100000693983_100000059175 [0,2,0,0,0,0|1,0,0]=3 4881 B16R1.1333 C[C@@H](CO)CNc1ccc(c(c1)F)[N+](=O)[O-] 34a_100000741728_100000059175 [0,2,0,0,0,0|1,0,0]=3 4882 B16R1.1333 C[C@@H](CO)CNc1ccc(c(c1)F)[N+](=O)[O-] 7a_100000741728_100000059175 [0,2,0,0,0,0|1,0,0]=3 4883 B16R1.1333 C[C@@H](CO)COc1ccc(c(c1)Br)[N+](=O)[O-] 34a_100012356988_100000059175 [0,2,0,0,0,0|0,0,0]=2 4884 B16R1.1333 C[C@@H](CO)COc1ccc(c(c1)Br)[N+](=O)[O-] 7a_100012356988_100000059175 [0,2,0,0,0,0|0,0,0]=2 4885 B16R1.1333 C[C@@H](CO)COc1ccc(c(c1)Cl)C(=O)N 34a_100011997949_100000059175 [0,2,0,0,0,0|2,0,0]=4 4886 B16R1.1333 C[C@@H](CO)COc1ccc(c(c1)Cl)C(=O)N 7a_100011997949_100000059175 [0,2,0,0,0,0|2,0,0]=4 4887 B16R1.1333 C[C@@H](CO)COc1ccc(c(c1)Cl)[N+](=O)[O-] 34a_100000746235_100000059175 [0,2,0,0,0,0|0,0,0]=2 4888 B16R1.1333 C[C@@H](CO)COc1ccc(c(c1)Cl)[N+](=O)[O-] 7a_100000746235_100000059175 [0,2,0,0,0,0|0,0,0]=2 4889 B16R1.1333 C[C@@H](CO)COc1ccc(c(c1)F)C(=O)N 34a_200012186767_100000059175 [0,2,0,0,0,0|2,0,0]=4 4890 B16R1.1333 C[C@@H](CO)COc1ccc(c(c1)F)C(=O)N 7a_200012186767_100000059175 [0,2,0,0,0,0|2,0,0]=4 4891 B16R1.1333 C[C@@H](CO)COc1ccc(c(c1)F)[N+](=O)[O-] 7a_100000745333_100000059175 [0,2,0,0,0,0|0,0,0]=2 4892 B16R1.1333 C[C@@H](CO)COc1ccc(c(c1)I)[N+](=O)[O-] 7a_100010243554_100000059175 [0,2,0,0,0,0|0,0,0]=2 4893 B16R1.1333 C[C@@H](CO)COc1ccc(c(c1)N)C(=O)N 34a_100012186684_100000059175 [0,2,0,0,0,0|2,0,0]=4 4894 B16R1.1333 C[C@@H](CO)COc1ccc(c(c1)N)C(=O)N 7a_100012186684_100000059175 [0,2,0,0,0,0|2,0,0]=4 4895 B16R1.1333 C[C@@H](CO)COc1ccc(c(c1)N)[N+](=O)[O-] 7a_100000729835_100000059175 [0,2,0,0,0,0|0,0,0]=2 4896 B16R1.1333 C[C@H](CO)NCc1ccc(c(c1)Br)[N+](=O)[O-] 270004a_100000737577_100009998837 [0,2,0,0,0,0|2,0,0]=4 4897 B16R1.1333 C[C@H](CO)NCc1ccc(c(c1)Cl)[N+](=O)[O-] 270004a_100000737577_100000070945 [0,2,0,0,0,0|2,0,0]=4 4898 B16R1.1333 C[C@H](CO)NCc1ccc(c(c1)F)[N+](=O)[O-] 2230a_100000737577_100000687068 [0,2,0,0,0,0|2,0,0]=4 4899 B16R1.1333 C[C@H](CO)NCc1ccc(c(c1)F)[N+](=O)[O-] 270004a_100000737577_100011934122 [0,2,0,0,0,0|2,0,0]=4 4900 B16R1.1333 C[C@H](CO)SCc1ccc(c(c1)F)[N+](=O)[O-] 62a_100000687068_100016084084 [0,2,0,0,0,0|2,0,0]=4 4901 B16R1.1333 Cc1cc(ccc1[N+](=O)[O-])CN[C@H](C)CO 207a_100000737577_100000050484 [0,2,0,0,0,0|2,0,0]=4 4902 B16R1.1333 Cc1cc(ccc1[N+](=O)[O-])CN[C@H](C)CO 2230a_100000737577_100009816690 [0,2,0,0,0,0|2,0,0]=4 4903 B16R1.1333 Cc1cc(ccc1[N+](=O)[O-])CN[C@H](C)CO 270004a_100000737577_100000050484 [0,2,0,0,0,0|2,0,0]=4 4904 B16R1.1333 Cc1cc(ccc1[N+](=O)[O-])COC(C)CO 7a_100000032365_100012180447 [0,2,0,0,0,0|2,0,0]=4 4905 B16R1.1333 Cc1cc(ccc1[N+](=O)[O-])NCC(O)CO 34a_100000745639_100011219619 [0,2,0,0,0,0|1,0,0]=3 4906 B16R1.1333 Cc1cc(ccc1[N+](=O)[O-])NCC(O)CO 7a_100000745639_100011219619 [0,2,0,0,0,0|1,0,0]=3 4907 B16R1.1333 Cc1cc(ccc1[N+](=O)[O-])NC[C@@H](C)CO 34a_100000745639_100000059175 [0,2,0,0,0,0|1,0,0]=3 4908 B16R1.1333 Cc1cc(ccc1[N+](=O)[O-])NC[C@@H](C)CO 7a_100000745639_100000059175 [0,2,0,0,0,0|1,0,0]=3 4909 B16R1.1333 Cc1cc(ccc1[N+](=O)[O-])NC[C@@H](O)CF 34a_100000745639_100015614560 [0,2,0,0,0,0|2,0,0]=4 4910 B16R1.1333 Cc1cc(ccc1[N+](=O)[O-])NC[C@@H](O)CF 7a_100000745639_100015614560 [0,2,0,0,0,0|2,0,0]=4 4911 B16R1.1333 Cc1cc(ccc1[N+](=O)[O-])NC[C@@H](O)CO 34a_100000745639_100009815848 [0,2,0,0,0,0|1,0,0]=3 4912 B16R1.1333 Cc1cc(ccc1[N+](=O)[O-])NC[C@@H](O)CO 7a_100000745639_100009815848 [0,2,0,0,0,0|1,0,0]=3 4913 B16R1.1333 Cc1cc(ccc1[N+](=O)[O-])OCC(=O)CF 1458a_100000191406_100015361967 [0,2,0,0,0,0|1,0,1]=4 4914 B16R1.1333 Cc1cc(ccc1[N+](=O)[O-])OCC(O)CO 34a_100000195451_100011219619 [0,2,0,0,0,0|0,0,0]=2 4915 B16R1.1333 Cc1cc(ccc1[N+](=O)[O-])OCC(O)CO 7a_100000195451_100011219619 [0,2,0,0,0,0|0,0,0]=2 4916 B16R1.1333 Cc1cc(ccc1[N+](=O)[O-])OC[C@@H](C)CO 34a_100000195451_100000059175 [0,2,0,0,0,0|0,0,0]=2 4917 B16R1.1333 Cc1cc(ccc1[N+](=O)[O-])OC[C@@H](C)CO 7a_100000195451_100000059175 [0,2,0,0,0,0|0,0,0]=2 4918 B16R1.1333 Cc1cc(ccc1[N+](=O)[O-])OC[C@@H](O)CF 34a_100000195451_100015614560 [0,2,0,0,0,0|1,0,0]=3 4919 B16R1.1333 Cc1cc(ccc1[N+](=O)[O-])OC[C@@H](O)CF 7a_100000195451_100015614560 [0,2,0,0,0,0|1,0,0]=3 4920 B16R1.1333 Cc1cc(ccc1[N+](=O)[O-])OC[C@@H](O)CO 34a_100000195451_100009815848 [0,2,0,0,0,0|0,0,0]=2 4921 B16R1.1333 Cc1cc(ccc1[N+](=O)[O-])OC[C@@H](O)CO 7a_100000195451_100009815848 [0,2,0,0,0,0|0,0,0]=2 4922 B16R1.1333 NC(=O)c1ccc(cc1Cl)OCC(O)CO 34a_100011997949_100011219619 [0,2,0,0,0,0|2,0,0]=4 4923 B16R1.1333 NC(=O)c1ccc(cc1Cl)OCC(O)CO 7a_100011997949_100011219619 [0,2,0,0,0,0|2,0,0]=4 4924 B16R1.1333 NC(=O)c1ccc(cc1Cl)OC[C@@H](O)CO 34a_100011997949_100009815848 [0,2,0,0,0,0|2,0,0]=4 4925 B16R1.1333 NC(=O)c1ccc(cc1Cl)OC[C@@H](O)CO 7a_100011997949_100009815848 [0,2,0,0,0,0|2,0,0]=4 4926 B16R1.1333 NC(=O)c1ccc(cc1F)OCC(O)CO 34a_200012186767_100011219619 [0,2,0,0,0,0|2,0,0]=4 4927 B16R1.1333 NC(=O)c1ccc(cc1F)OCC(O)CO 7a_200012186767_100011219619 [0,2,0,0,0,0|2,0,0]=4 4928 B16R1.1333 NC(=O)c1ccc(cc1F)OC[C@@H](O)CO 34a_200012186767_100009815848 [0,2,0,0,0,0|2,0,0]=4 4929 B16R1.1333 NC(=O)c1ccc(cc1F)OC[C@@H](O)CO 7a_200012186767_100009815848 [0,2,0,0,0,0|2,0,0]=4 4930 B16R1.1333 NC(=O)c1ccc(cc1N)OCC(O)CO 34a_100012186684_100011219619 [0,2,0,0,0,0|2,0,0]=4 4931 B16R1.1333 NC(=O)c1ccc(cc1N)OCC(O)CO 7a_100012186684_100011219619 [0,2,0,0,0,0|2,0,0]=4 4932 B16R1.1333 NC(=O)c1ccc(cc1N)OC[C@@H](O)CO 34a_100012186684_100009815848 [0,2,0,0,0,0|2,0,0]=4 4933 B16R1.1333 NC(=O)c1ccc(cc1N)OC[C@@H](O)CO 7a_100012186684_100009815848 [0,2,0,0,0,0|2,0,0]=4 4934 B16R1.1333 Nc1cc(ccc1[N+](=O)[O-])OCC(O)CO 7a_100000729835_100011219619 [0,2,0,0,0,0|0,0,0]=2 4935 B16R1.1333 Nc1cc(ccc1[N+](=O)[O-])OC[C@@H](O)CF 7a_100000729835_100015614560 [0,2,0,0,0,0|1,0,0]=3 4936 B16R1.1333 Nc1cc(ccc1[N+](=O)[O-])OC[C@@H](O)CO 7a_100000729835_100009815848 [0,2,0,0,0,0|0,0,0]=2 4937 B16R1.1333 O=C(CF)COc1ccc(c(c1)F)[N+](=O)[O-] 1458a_100000747220_100015361967 [0,2,0,0,0,0|1,0,1]=4 4938 B16R1.1333 O=[N+]([O-])c1ccc(cc1Br)NCC(O)CO 7a_100000693983_100011219619 [0,2,0,0,0,0|1,0,0]=3 4939 B16R1.1333 O=[N+]([O-])c1ccc(cc1Br)NC[C@@H](O)CF 7a_100000693983_100015614560 [0,2,0,0,0,0|2,0,0]=4 4940 B16R1.1333 O=[N+]([O-])c1ccc(cc1Br)NC[C@@H](O)CO 7a_100000693983_100009815848 [0,2,0,0,0,0|1,0,0]=3 4941 B16R1.1333 O=[N+]([O-])c1ccc(cc1Br)OCC(O)CO 34a_100012356988_100011219619 [0,2,0,0,0,0|0,0,0]=2 4942 B16R1.1333 O=[N+]([O-])c1ccc(cc1Br)OCC(O)CO 7a_100012356988_100011219619 [0,2,0,0,0,0|0,0,0]=2 4943 B16R1.1333 O=[N+]([O-])c1ccc(cc1Br)OC[C@@H](O)CF 34a_100012356988_100015614560 [0,2,0,0,0,0|1,0,0]=3 4944 B16R1.1333 O=[N+]([O-])c1ccc(cc1Br)OC[C@@H](O)CF 7a_100012356988_100015614560 [0,2,0,0,0,0|1,0,0]=3 4945 B16R1.1333 O=[N+]([O-])c1ccc(cc1Br)OC[C@@H](O)CO 34a_100012356988_100009815848 [0,2,0,0,0,0|0,0,0]=2 4946 B16R1.1333 O=[N+]([O-])c1ccc(cc1Br)OC[C@@H](O)CO 7a_100012356988_100009815848 [0,2,0,0,0,0|0,0,0]=2 4947 B16R1.1333 O=[N+]([O-])c1ccc(cc1Cl)OCC(O)CO 34a_100000746235_100011219619 [0,2,0,0,0,0|0,0,0]=2 4948 B16R1.1333 O=[N+]([O-])c1ccc(cc1Cl)OCC(O)CO 7a_100000746235_100011219619 [0,2,0,0,0,0|0,0,0]=2 4949 B16R1.1333 O=[N+]([O-])c1ccc(cc1Cl)OC[C@@H](O)CF 34a_100000746235_100015614560 [0,2,0,0,0,0|1,0,0]=3 4950 B16R1.1333 O=[N+]([O-])c1ccc(cc1Cl)OC[C@@H](O)CF 7a_100000746235_100015614560 [0,2,0,0,0,0|1,0,0]=3 4951 B16R1.1333 O=[N+]([O-])c1ccc(cc1Cl)OC[C@@H](O)CO 34a_100000746235_100009815848 [0,2,0,0,0,0|0,0,0]=2 4952 B16R1.1333 O=[N+]([O-])c1ccc(cc1Cl)OC[C@@H](O)CO 7a_100000746235_100009815848 [0,2,0,0,0,0|0,0,0]=2 4953 B16R1.1333 O=[N+]([O-])c1ccc(cc1F)NCC(O)CO 34a_100000741728_100011219619 [0,2,0,0,0,0|1,0,0]=3 4954 B16R1.1333 O=[N+]([O-])c1ccc(cc1F)NCC(O)CO 7a_100000741728_100011219619 [0,2,0,0,0,0|1,0,0]=3 4955 B16R1.1333 O=[N+]([O-])c1ccc(cc1F)NC[C@@H](O)CF 34a_100000741728_100015614560 [0,2,0,0,0,0|2,0,0]=4 4956 B16R1.1333 O=[N+]([O-])c1ccc(cc1F)NC[C@@H](O)CF 7a_100000741728_100015614560 [0,2,0,0,0,0|2,0,0]=4 4957 B16R1.1333 O=[N+]([O-])c1ccc(cc1F)NC[C@@H](O)CO 34a_100000741728_100009815848 [0,2,0,0,0,0|1,0,0]=3 4958 B16R1.1333 O=[N+]([O-])c1ccc(cc1F)NC[C@@H](O)CO 7a_100000741728_100009815848 [0,2,0,0,0,0|1,0,0]=3 4959 B16R1.1333 O=[N+]([O-])c1ccc(cc1F)OCC(O)CO 7a_100000745333_100011219619 [0,2,0,0,0,0|0,0,0]=2 4960 B16R1.1333 O=[N+]([O-])c1ccc(cc1F)OC[C@@H](O)CF 7a_100000745333_100015614560 [0,2,0,0,0,0|1,0,0]=3 4961 B16R1.1333 O=[N+]([O-])c1ccc(cc1F)OC[C@@H](O)CO 7a_100000745333_100009815848 [0,2,0,0,0,0|0,0,0]=2 4962 B16R1.1333 O=[N+]([O-])c1ccc(cc1I)OCC(O)CO 7a_100010243554_100011219619 [0,2,0,0,0,0|0,0,0]=2 4963 B16R1.1333 O=[N+]([O-])c1ccc(cc1I)OC[C@@H](O)CF 7a_100010243554_100015614560 [0,2,0,0,0,0|1,0,0]=3 4964 B16R1.1333 O=[N+]([O-])c1ccc(cc1I)OC[C@@H](O)CO 7a_100010243554_100009815848 [0,2,0,0,0,0|0,0,0]=2 4965 B16R1.6949 CC(CO)N(C)Cc1ccc(cc1)[N+](=O)[O-] 2230a_100000693034_100000181861 [0,2,0,0,0,0|2,0,0]=4 4966 B16R1.6949 CC(CO)N(C)Cc1ccc(cc1)[N+](=O)[O-] 2230a_100015189985_100012180447 [0,2,0,0,0,0|2,0,0]=4 4967 B16R1.6949 CC(CO)N(C)Cc1ccc(cc1)[N+](=O)[O-] 269982a_100000693034_100000184243 [0,2,0,0,0,0|2,0,0]=4 4968 B16R1.6949 CC(CO)N(C)Cc1ccc(cc1)[N+](=O)[O-] 270004a_100000693034_100000189386 [0,2,0,0,0,0|2,0,0]=4 4969 B16R1.6949 CC(Oc1ccc(cc1)[N+](=O)[O-])C(=O)CF 1458a_100000191202_100015361967 [0,2,0,0,0,0|1,0,1]=4 4970 B16R1.6949 CCC(=O)C(C)Oc1ccc(cc1)[N+](=O)[O-] 1458a_100000191202_100000210202 [0,2,0,0,0,0|1,0,1]=4 4971 B16R1.6949 CCC(=O)C(C)Oc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_100000742827 [0,2,0,0,0,0|1,0,1]=4 4972 B16R1.6949 C[C@H](CO)N(C)Cc1ccc(cc1)[N+](=O)[O-] 269982a_100015189985_100016084084 [0,2,0,0,0,0|2,0,0]=4 4973 B16R1.6949 O=C(Cc1ccc(cc1)[N+](=O)[O-])C(O)CO 1458a_100011215603_100000181861 [0,2,0,0,0,0|1,0,1]=4 4974 B16R1.12326 CC(C)C(=O)COc1ccc(cc1)[N+](=O)[O-] 1458a_100000181393_100000210206 [0,2,0,0,0,0|1,0,1]=4 4975 B16R1.12326 CC(C)C(=O)COc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_100000753385 [0,2,0,0,0,0|1,0,1]=4 4976 B16R1.12326 CC(C)C(=O)COc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_100000753385 [0,2,0,0,0,0|1,0,1]=4 4977 B16R1.12326 C[C@@H](O)C(=O)CCc1ccc(cc1)[N+](=O)[O-] 1458a_100000717761_100000736421 [0,2,0,0,0,0|1,0,1]=4 4978 B16R1.12326 C[C@H](O)C(=O)CCc1ccc(cc1)[N+](=O)[O-] 1458a_217856618621_100000736421 [0,2,0,0,0,0|1,0,1]=4 4979 B16R1.12326 O=C(CCc1ccc(cc1)[N+](=O)[O-])C(O)O 1458a_100000233687_100000736421 [0,2,0,0,0,0|1,0,1]=4 4980 B16R1.276 C#CCCCNc1ccc(c(c1)Br)[N+](=O)[O-] 7a_100000693983_100011215417 [0,2,0,0,0,0|2,0,0]=4 4981 B16R1.276 C#CCCCNc1ccc(c(c1)C)[N+](=O)[O-] 34a_100000745639_100000695029 [0,2,0,0,0,0|2,0,0]=4 4982 B16R1.276 C#CCCCNc1ccc(c(c1)C)[N+](=O)[O-] 7a_100000745639_100011215417 [0,2,0,0,0,0|2,0,0]=4 4983 B16R1.276 C#CCCCNc1ccc(c(c1)F)[N+](=O)[O-] 34a_100000741728_100000695029 [0,2,0,0,0,0|2,0,0]=4 4984 B16R1.276 C#CCCCNc1ccc(c(c1)F)[N+](=O)[O-] 7a_100000741728_100011215417 [0,2,0,0,0,0|2,0,0]=4 4985 B16R1.276 C#CCCCOc1ccc(c(c1)Br)[N+](=O)[O-] 34a_100012356988_100000695029 [0,2,0,0,0,0|1,0,0]=3 4986 B16R1.276 C#CCCCOc1ccc(c(c1)Br)[N+](=O)[O-] 7a_100012356988_100011215417 [0,2,0,0,0,0|1,0,0]=3 4987 B16R1.276 C#CCCCOc1ccc(c(c1)C)[N+](=O)[O-] 34a_100000195451_100000695029 [0,2,0,0,0,0|1,0,0]=3 4988 B16R1.276 C#CCCCOc1ccc(c(c1)C)[N+](=O)[O-] 7a_100000195451_100011215417 [0,2,0,0,0,0|1,0,0]=3 4989 B16R1.276 C#CCCCOc1ccc(c(c1)Cl)[N+](=O)[O-] 34a_100000746235_100000695029 [0,2,0,0,0,0|1,0,0]=3 4990 B16R1.276 C#CCCCOc1ccc(c(c1)Cl)[N+](=O)[O-] 7a_100000746235_100011215417 [0,2,0,0,0,0|1,0,0]=3 4991 B16R1.276 C#CCCCOc1ccc(c(c1)F)[N+](=O)[O-] 7a_100000745333_100011215417 [0,2,0,0,0,0|1,0,0]=3 4992 B16R1.276 C#CCCCOc1ccc(c(c1)I)[N+](=O)[O-] 7a_100010243554_100011215417 [0,2,0,0,0,0|1,0,0]=3 4993 B16R1.276 C#CCCCOc1ccc(c(c1)N)[N+](=O)[O-] 7a_100000729835_100011215417 [0,2,0,0,0,0|1,0,0]=3 4994 B16R1.276 C#CCCOCc1ccc(c(c1)C)[N+](=O)[O-] 34a_100011215631_100009816690 [0,2,0,0,0,0|1,0,1]=4 4995 B16R1.276 C#CCCOCc1ccc(c(c1)C)[N+](=O)[O-] 7a_100000032365_100000688953 [0,2,0,0,0,0|1,0,1]=4 4996 B16R1.276 C#CCCOCc1ccc(c(c1)F)[N+](=O)[O-] 34a_100011215631_100000687068 [0,2,0,0,0,0|1,0,1]=4 4997 B16R1.276 C#CCCOCc1ccc(c(c1)F)[N+](=O)[O-] 7a_100011219895_100000688953 [0,2,0,0,0,0|1,0,1]=4 4998 B16R1.276 C=CCCCNc1ccc(c(c1)Br)[N+](=O)[O-] 7a_100000693983_100000757094 [0,2,0,0,0,0|2,0,0]=4 4999 B16R1.276 C=CCCCNc1ccc(c(c1)C)[N+](=O)[O-] 34a_100000745639_100000757094 [0,2,0,0,0,0|2,0,0]=4 5000 B16R1.276 C=CCCCNc1ccc(c(c1)C)[N+](=O)[O-] 7a_100000745639_100000757094 [0,2,0,0,0,0|2,0,0]=4 5001 B16R1.276 C=CCCCNc1ccc(c(c1)F)[N+](=O)[O-] 34a_100000741728_100000757094 [0,2,0,0,0,0|2,0,0]=4 5002 B16R1.276 C=CCCCNc1ccc(c(c1)F)[N+](=O)[O-] 7a_100000741728_100000757094 [0,2,0,0,0,0|2,0,0]=4 5003 B16R1.276 C=CCCCOc1ccc(c(c1)Br)[N+](=O)[O-] 34a_100012356988_100000757094 [0,2,0,0,0,0|1,0,0]=3 5004 B16R1.276 C=CCCCOc1ccc(c(c1)Br)[N+](=O)[O-] 7a_100012356988_100000757094 [0,2,0,0,0,0|1,0,0]=3 5005 B16R1.276 C=CCCCOc1ccc(c(c1)C)[N+](=O)[O-] 34a_100000195451_100000757094 [0,2,0,0,0,0|1,0,0]=3 5006 B16R1.276 C=CCCCOc1ccc(c(c1)C)[N+](=O)[O-] 7a_100000195451_100000757094 [0,2,0,0,0,0|1,0,0]=3 5007 B16R1.276 C=CCCCOc1ccc(c(c1)Cl)[N+](=O)[O-] 34a_100000746235_100000757094 [0,2,0,0,0,0|1,0,0]=3 5008 B16R1.276 C=CCCCOc1ccc(c(c1)Cl)[N+](=O)[O-] 7a_100000746235_100000757094 [0,2,0,0,0,0|1,0,0]=3 5009 B16R1.276 C=CCCCOc1ccc(c(c1)F)[N+](=O)[O-] 7a_100000745333_100000757094 [0,2,0,0,0,0|1,0,0]=3 5010 B16R1.276 C=CCCCOc1ccc(c(c1)I)[N+](=O)[O-] 7a_100010243554_100000757094 [0,2,0,0,0,0|1,0,0]=3 5011 B16R1.276 C=CCCCOc1ccc(c(c1)N)[N+](=O)[O-] 7a_100000729835_100000757094 [0,2,0,0,0,0|1,0,0]=3 5012 B16R1.276 C=CCCOCc1ccc(c(c1)C)[N+](=O)[O-] 34a_100011205117_100009816690 [0,2,0,0,0,0|1,0,1]=4 5013 B16R1.276 C=CCCOCc1ccc(c(c1)C)[N+](=O)[O-] 7a_100000032365_100000754431 [0,2,0,0,0,0|1,0,1]=4 5014 B16R1.276 C=CCCOCc1ccc(c(c1)F)[N+](=O)[O-] 34a_100011205117_100000687068 [0,2,0,0,0,0|1,0,1]=4 5015 B16R1.276 C=CCCOCc1ccc(c(c1)F)[N+](=O)[O-] 7a_100011219895_100000754431 [0,2,0,0,0,0|1,0,1]=4 5016 B16R1.276 C=COCCOc1ccc(c(c1)Br)[N+](=O)[O-] 34a_100012356988_100000039644 [0,2,0,0,0,0|1,0,1]=4 5017 B16R1.276 C=COCCOc1ccc(c(c1)Br)[N+](=O)[O-] 7a_100012356988_100000039644 [0,2,0,0,0,0|1,0,1]=4 5018 B16R1.276 C=COCCOc1ccc(c(c1)C)[N+](=O)[O-] 34a_100000195451_100000039644 [0,2,0,0,0,0|1,0,1]=4 5019 B16R1.276 C=COCCOc1ccc(c(c1)C)[N+](=O)[O-] 7a_100000195451_100000039644 [0,2,0,0,0,0|1,0,1]=4 5020 B16R1.276 C=COCCOc1ccc(c(c1)Cl)[N+](=O)[O-] 34a_100000746235_100000039644 [0,2,0,0,0,0|1,0,1]=4 5021 B16R1.276 C=COCCOc1ccc(c(c1)Cl)[N+](=O)[O-] 7a_100000746235_100000039644 [0,2,0,0,0,0|1,0,1]=4 5022 B16R1.276 C=COCCOc1ccc(c(c1)F)[N+](=O)[O-] 7a_100000745333_100000039644 [0,2,0,0,0,0|1,0,1]=4 5023 B16R1.276 C=COCCOc1ccc(c(c1)I)[N+](=O)[O-] 7a_100010243554_100000039644 [0,2,0,0,0,0|1,0,1]=4 5024 B16R1.276 C=COCCOc1ccc(c(c1)N)[N+](=O)[O-] 7a_100000729835_100000039644 [0,2,0,0,0,0|1,0,1]=4 5025 B16R1.276 CC(=O)c1ccc(cc1Br)OCCCCO 34a_100012340537_100011216708 [0,2,0,0,0,0|2,0,0]=4 5026 B16R1.276 CC(=O)c1ccc(cc1Br)OCCCCO 7a_100012340537_100000210776 [0,2,0,0,0,0|2,0,0]=4 5027 B16R1.276 CC(=O)c1ccc(cc1C)OCCCCO 34a_100000702595_100011216708 [0,2,0,0,0,0|2,0,0]=4 5028 B16R1.276 CC(=O)c1ccc(cc1C)OCCCCO 7a_100000702595_100000210776 [0,2,0,0,0,0|2,0,0]=4 5029 B16R1.276 CC(=O)c1ccc(cc1Cl)OCCCCO 34a_100011933989_100011216708 [0,2,0,0,0,0|2,0,0]=4 5030 B16R1.276 CC(=O)c1ccc(cc1Cl)OCCCCO 7a_100011933989_100000210776 [0,2,0,0,0,0|2,0,0]=4 5031 B16R1.276 CC(=O)c1ccc(cc1F)OCCCCO 34a_100000752407_100011216708 [0,2,0,0,0,0|2,0,0]=4 5032 B16R1.276 CC(=O)c1ccc(cc1F)OCCCCO 7a_100000752407_100000210776 [0,2,0,0,0,0|2,0,0]=4 5033 B16R1.276 CC/C=C\COc1ccc(c(c1)Br)[N+](=O)[O-] 34a_100012356988_100103147603 [0,2,0,0,0,0|1,0,1]=4 5034 B16R1.276 CC/C=C\COc1ccc(c(c1)Br)[N+](=O)[O-] 7a_100012356988_100103147603 [0,2,0,0,0,0|1,0,1]=4 5035 B16R1.276 CC/C=C\COc1ccc(c(c1)C)[N+](=O)[O-] 34a_100000195451_100103147603 [0,2,0,0,0,0|1,0,1]=4 5036 B16R1.276 CC/C=C\COc1ccc(c(c1)C)[N+](=O)[O-] 7a_100000195451_100103147603 [0,2,0,0,0,0|1,0,1]=4 5037 B16R1.276 CC/C=C\COc1ccc(c(c1)Cl)[N+](=O)[O-] 34a_100000746235_100103147603 [0,2,0,0,0,0|1,0,1]=4 5038 B16R1.276 CC/C=C\COc1ccc(c(c1)Cl)[N+](=O)[O-] 7a_100000746235_100103147603 [0,2,0,0,0,0|1,0,1]=4 5039 B16R1.276 CC/C=C\COc1ccc(c(c1)F)[N+](=O)[O-] 7a_100000745333_100103147603 [0,2,0,0,0,0|1,0,1]=4 5040 B16R1.276 CC/C=C\COc1ccc(c(c1)I)[N+](=O)[O-] 7a_100010243554_100103147603 [0,2,0,0,0,0|1,0,1]=4 5041 B16R1.276 CC/C=C\COc1ccc(c(c1)N)[N+](=O)[O-] 7a_100000729835_100103147603 [0,2,0,0,0,0|1,0,1]=4 5042 B16R1.276 CCC#CCOc1ccc(c(c1)Br)[N+](=O)[O-] 34a_100012356988_100009813939 [0,2,0,0,0,0|1,0,1]=4 5043 B16R1.276 CCC#CCOc1ccc(c(c1)Br)[N+](=O)[O-] 7a_100012356988_100009813939 [0,2,0,0,0,0|1,0,1]=4 5044 B16R1.276 CCC#CCOc1ccc(c(c1)C)[N+](=O)[O-] 34a_100000195451_100009813939 [0,2,0,0,0,0|1,0,1]=4 5045 B16R1.276 CCC#CCOc1ccc(c(c1)C)[N+](=O)[O-] 7a_100000195451_100009813939 [0,2,0,0,0,0|1,0,1]=4 5046 B16R1.276 CCC#CCOc1ccc(c(c1)Cl)[N+](=O)[O-] 34a_100000746235_100009813939 [0,2,0,0,0,0|1,0,1]=4 5047 B16R1.276 CCC#CCOc1ccc(c(c1)Cl)[N+](=O)[O-] 7a_100000746235_100009813939 [0,2,0,0,0,0|1,0,1]=4 5048 B16R1.276 CCC#CCOc1ccc(c(c1)F)[N+](=O)[O-] 7a_100000745333_100009813939 [0,2,0,0,0,0|1,0,1]=4 5049 B16R1.276 CCC#CCOc1ccc(c(c1)I)[N+](=O)[O-] 7a_100010243554_100009813939 [0,2,0,0,0,0|1,0,1]=4 5050 B16R1.276 CCC#CCOc1ccc(c(c1)N)[N+](=O)[O-] 7a_100000729835_100009813939 [0,2,0,0,0,0|1,0,1]=4 5051 B16R1.276 CCCCCNc1ccc(c(c1)Br)[N+](=O)[O-] 7a_100000693983_100000210326 [0,2,0,0,0,0|2,0,0]=4 5052 B16R1.276 CCCCCNc1ccc(c(c1)C)[N+](=O)[O-] 34a_100000745639_100000718602 [0,2,0,0,0,0|2,0,0]=4 5053 B16R1.276 CCCCCNc1ccc(c(c1)C)[N+](=O)[O-] 7a_100000745639_100000210326 [0,2,0,0,0,0|2,0,0]=4 5054 B16R1.276 CCCCCNc1ccc(c(c1)F)[N+](=O)[O-] 34a_100000741728_100000718602 [0,2,0,0,0,0|2,0,0]=4 5055 B16R1.276 CCCCCNc1ccc(c(c1)F)[N+](=O)[O-] 7a_100000741728_100000210326 [0,2,0,0,0,0|2,0,0]=4 5056 B16R1.276 CCCCCOc1ccc(c(c1)Br)[N+](=O)[O-] 34a_100012356988_100000718602 [0,2,0,0,0,0|1,0,0]=3 5057 B16R1.276 CCCCCOc1ccc(c(c1)Br)[N+](=O)[O-] 7a_100012356988_100000210326 [0,2,0,0,0,0|1,0,0]=3 5058 B16R1.276 CCCCCOc1ccc(c(c1)C)[N+](=O)[O-] 34a_100000195451_100000718602 [0,2,0,0,0,0|1,0,0]=3 5059 B16R1.276 CCCCCOc1ccc(c(c1)C)[N+](=O)[O-] 7a_100000195451_100000210326 [0,2,0,0,0,0|1,0,0]=3 5060 B16R1.276 CCCCCOc1ccc(c(c1)Cl)[N+](=O)[O-] 34a_100000746235_100000718602 [0,2,0,0,0,0|1,0,0]=3 5061 B16R1.276 CCCCCOc1ccc(c(c1)Cl)[N+](=O)[O-] 7a_100000746235_100000210326 [0,2,0,0,0,0|1,0,0]=3 5062 B16R1.276 CCCCCOc1ccc(c(c1)F)[N+](=O)[O-] 7a_100000745333_100000210326 [0,2,0,0,0,0|1,0,0]=3 5063 B16R1.276 CCCCCOc1ccc(c(c1)I)[N+](=O)[O-] 7a_100010243554_100000210326 [0,2,0,0,0,0|1,0,0]=3 5064 B16R1.276 CCCCCOc1ccc(c(c1)N)[N+](=O)[O-] 7a_100000729835_100000210326 [0,2,0,0,0,0|1,0,0]=3 5065 B16R1.276 CCCCNCc1ccc(c(c1)Br)[N+](=O)[O-] 270004a_100000102301_100009998837 [0,2,0,0,0,0|2,0,0]=4 5066 B16R1.276 CCCCNCc1ccc(c(c1)C)[N+](=O)[O-] 207a_100000102301_100000050484 [0,2,0,0,0,0|2,0,0]=4 5067 B16R1.276 CCCCNCc1ccc(c(c1)C)[N+](=O)[O-] 2230a_100000102301_100009816690 [0,2,0,0,0,0|2,0,0]=4 5068 B16R1.276 CCCCNCc1ccc(c(c1)C)[N+](=O)[O-] 270004a_100000102301_100000050484 [0,2,0,0,0,0|2,0,0]=4 5069 B16R1.276 CCCCNCc1ccc(c(c1)C)[N+](=O)[O-] 7a_106832991798_100009816690 [0,2,0,0,0,0|2,0,0]=4 5070 B16R1.276 CCCCNCc1ccc(c(c1)Cl)[N+](=O)[O-] 270004a_100000102301_100000070945 [0,2,0,0,0,0|2,0,0]=4 5071 B16R1.276 CCCCNCc1ccc(c(c1)F)[N+](=O)[O-] 2230a_100000102301_100000687068 [0,2,0,0,0,0|2,0,0]=4 5072 B16R1.276 CCCCNCc1ccc(c(c1)F)[N+](=O)[O-] 270004a_100000102301_100011934122 [0,2,0,0,0,0|2,0,0]=4 5073 B16R1.276 CCCCNCc1ccc(c(c1)F)[N+](=O)[O-] 7a_106832991798_100000687068 [0,2,0,0,0,0|2,0,0]=4 5074 B16R1.276 CCCCOCc1ccc(c(c1)C)[N+](=O)[O-] 34a_100000210227_100009816690 [0,2,0,0,0,0|1,0,0]=3 5075 B16R1.276 CCCCOCc1ccc(c(c1)C)[N+](=O)[O-] 7a_100000032365_100000210211 [0,2,0,0,0,0|1,0,0]=3 5076 B16R1.276 CCCCOCc1ccc(c(c1)C)[N+](=O)[O-] 7a_100000210227_100009816690 [0,2,0,0,0,0|1,0,0]=3 5077 B16R1.276 CCCCOCc1ccc(c(c1)F)[N+](=O)[O-] 34a_100000210227_100000687068 [0,2,0,0,0,0|1,0,0]=3 5078 B16R1.276 CCCCOCc1ccc(c(c1)F)[N+](=O)[O-] 7a_100000210227_100000687068 [0,2,0,0,0,0|1,0,0]=3 5079 B16R1.276 CCCCOCc1ccc(c(c1)F)[N+](=O)[O-] 7a_100011219895_100000210211 [0,2,0,0,0,0|1,0,0]=3 5080 B16R1.276 CCCCSCc1ccc(c(c1)F)[N+](=O)[O-] 62a_100000687068_100000210210 [0,2,0,0,0,0|1,1,0]=4 5081 B16R1.276 CCOCCNc1ccc(c(c1)Br)[N+](=O)[O-] 7a_100000693983_100011215890 [0,2,0,0,0,0|2,0,0]=4 5082 B16R1.276 CCOCCNc1ccc(c(c1)C)[N+](=O)[O-] 34a_100000745639_100000210147 [0,2,0,0,0,0|2,0,0]=4 5083 B16R1.276 CCOCCNc1ccc(c(c1)C)[N+](=O)[O-] 7a_100000745639_100011215890 [0,2,0,0,0,0|2,0,0]=4 5084 B16R1.276 CCOCCNc1ccc(c(c1)F)[N+](=O)[O-] 34a_100000741728_100000210147 [0,2,0,0,0,0|2,0,0]=4 5085 B16R1.276 CCOCCNc1ccc(c(c1)F)[N+](=O)[O-] 7a_100000741728_100011215890 [0,2,0,0,0,0|2,0,0]=4 5086 B16R1.276 CCOCCOc1ccc(c(c1)Br)[N+](=O)[O-] 34a_100012356988_100000210147 [0,2,0,0,0,0|1,0,0]=3 5087 B16R1.276 CCOCCOc1ccc(c(c1)Br)[N+](=O)[O-] 7a_100012356988_100011215890 [0,2,0,0,0,0|1,0,0]=3 5088 B16R1.276 CCOCCOc1ccc(c(c1)C)[N+](=O)[O-] 34a_100000195451_100000210147 [0,2,0,0,0,0|1,0,0]=3 5089 B16R1.276 CCOCCOc1ccc(c(c1)C)[N+](=O)[O-] 7a_100000195451_100011215890 [0,2,0,0,0,0|1,0,0]=3 5090 B16R1.276 CCOCCOc1ccc(c(c1)Cl)[N+](=O)[O-] 34a_100000746235_100000210147 [0,2,0,0,0,0|1,0,0]=3 5091 B16R1.276 CCOCCOc1ccc(c(c1)Cl)[N+](=O)[O-] 7a_100000746235_100011215890 [0,2,0,0,0,0|1,0,0]=3 5092 B16R1.276 CCOCCOc1ccc(c(c1)F)[N+](=O)[O-] 7a_100000745333_100011215890 [0,2,0,0,0,0|1,0,0]=3 5093 B16R1.276 CCOCCOc1ccc(c(c1)I)[N+](=O)[O-] 7a_100010243554_100011215890 [0,2,0,0,0,0|1,0,0]=3 5094 B16R1.276 CCOCCOc1ccc(c(c1)N)[N+](=O)[O-] 7a_100000729835_100011215890 [0,2,0,0,0,0|1,0,0]=3 5095 B16R1.276 CCSCCNc1ccc(c(c1)Br)[N+](=O)[O-] 7a_100000693983_100000757381 [0,2,0,0,0,0|2,0,0]=4 5096 B16R1.276 CCSCCNc1ccc(c(c1)C)[N+](=O)[O-] 34a_100000745639_100000757381 [0,2,0,0,0,0|2,0,0]=4 5097 B16R1.276 CCSCCNc1ccc(c(c1)C)[N+](=O)[O-] 7a_100000745639_100000757381 [0,2,0,0,0,0|2,0,0]=4 5098 B16R1.276 CCSCCNc1ccc(c(c1)F)[N+](=O)[O-] 34a_100000741728_100000757381 [0,2,0,0,0,0|2,0,0]=4 5099 B16R1.276 CCSCCNc1ccc(c(c1)F)[N+](=O)[O-] 7a_100000741728_100000757381 [0,2,0,0,0,0|2,0,0]=4 5100 B16R1.276 CCSCCOc1ccc(c(c1)Br)[N+](=O)[O-] 34a_100012356988_100000757381 [0,2,0,0,0,0|1,0,0]=3 5101 B16R1.276 CCSCCOc1ccc(c(c1)Br)[N+](=O)[O-] 7a_100012356988_100000757381 [0,2,0,0,0,0|1,0,0]=3 5102 B16R1.276 CCSCCOc1ccc(c(c1)C)[N+](=O)[O-] 34a_100000195451_100000757381 [0,2,0,0,0,0|1,0,0]=3 5103 B16R1.276 CCSCCOc1ccc(c(c1)C)[N+](=O)[O-] 7a_100000195451_100000757381 [0,2,0,0,0,0|1,0,0]=3 5104 B16R1.276 CCSCCOc1ccc(c(c1)Cl)[N+](=O)[O-] 34a_100000746235_100000757381 [0,2,0,0,0,0|1,0,0]=3 5105 B16R1.276 CCSCCOc1ccc(c(c1)Cl)[N+](=O)[O-] 7a_100000746235_100000757381 [0,2,0,0,0,0|1,0,0]=3 5106 B16R1.276 CCSCCOc1ccc(c(c1)F)[N+](=O)[O-] 7a_100000745333_100000757381 [0,2,0,0,0,0|1,0,0]=3 5107 B16R1.276 CCSCCOc1ccc(c(c1)I)[N+](=O)[O-] 7a_100010243554_100000757381 [0,2,0,0,0,0|1,0,0]=3 5108 B16R1.276 CCSCCOc1ccc(c(c1)N)[N+](=O)[O-] 7a_100000729835_100000757381 [0,2,0,0,0,0|1,0,0]=3 5109 B16R1.276 COCCCNc1ccc(c(c1)Br)[N+](=O)[O-] 7a_100000693983_100000740836 [0,2,0,0,0,0|1,0,0]=3 5110 B16R1.276 COCCCNc1ccc(c(c1)C)[N+](=O)[O-] 34a_100000745639_100000740836 [0,2,0,0,0,0|1,0,0]=3 5111 B16R1.276 COCCCNc1ccc(c(c1)C)[N+](=O)[O-] 7a_100000745639_100000740836 [0,2,0,0,0,0|1,0,0]=3 5112 B16R1.276 COCCCNc1ccc(c(c1)F)[N+](=O)[O-] 34a_100000741728_100000740836 [0,2,0,0,0,0|1,0,0]=3 5113 B16R1.276 COCCCNc1ccc(c(c1)F)[N+](=O)[O-] 7a_100000741728_100000740836 [0,2,0,0,0,0|1,0,0]=3 5114 B16R1.276 COCCCOc1ccc(c(c1)Br)C(=O)C 34a_100012340537_100000740836 [0,2,0,0,0,0|2,0,0]=4 5115 B16R1.276 COCCCOc1ccc(c(c1)Br)C(=O)C 7a_100012340537_100000740836 [0,2,0,0,0,0|2,0,0]=4 5116 B16R1.276 COCCCOc1ccc(c(c1)Br)[N+](=O)[O-] 34a_100012356988_100000740836 [0,2,0,0,0,0|0,0,0]=2 5117 B16R1.276 COCCCOc1ccc(c(c1)Br)[N+](=O)[O-] 7a_100012356988_100000740836 [0,2,0,0,0,0|0,0,0]=2 5118 B16R1.276 COCCCOc1ccc(c(c1)C)C(=O)C 34a_100000702595_100000740836 [0,2,0,0,0,0|2,0,0]=4 5119 B16R1.276 COCCCOc1ccc(c(c1)C)C(=O)C 7a_100000702595_100000740836 [0,2,0,0,0,0|2,0,0]=4 5120 B16R1.276 COCCCOc1ccc(c(c1)C)[N+](=O)[O-] 34a_100000195451_100000740836 [0,2,0,0,0,0|0,0,0]=2 5121 B16R1.276 COCCCOc1ccc(c(c1)C)[N+](=O)[O-] 7a_100000195451_100000740836 [0,2,0,0,0,0|0,0,0]=2 5122 B16R1.276 COCCCOc1ccc(c(c1)Cl)C(=O)C 34a_100011933989_100000740836 [0,2,0,0,0,0|2,0,0]=4 5123 B16R1.276 COCCCOc1ccc(c(c1)Cl)C(=O)C 7a_100011933989_100000740836 [0,2,0,0,0,0|2,0,0]=4 5124 B16R1.276 COCCCOc1ccc(c(c1)Cl)C(=O)N 34a_100011997949_100000740836 [0,2,0,0,0,0|2,0,0]=4 5125 B16R1.276 COCCCOc1ccc(c(c1)Cl)C(=O)N 7a_100011997949_100000740836 [0,2,0,0,0,0|2,0,0]=4 5126 B16R1.276 COCCCOc1ccc(c(c1)Cl)[N+](=O)[O-] 34a_100000746235_100000740836 [0,2,0,0,0,0|0,0,0]=2 5127 B16R1.276 COCCCOc1ccc(c(c1)Cl)[N+](=O)[O-] 7a_100000746235_100000740836 [0,2,0,0,0,0|0,0,0]=2 5128 B16R1.276 COCCCOc1ccc(c(c1)F)C(=O)C 34a_100000752407_100000740836 [0,2,0,0,0,0|2,0,0]=4 5129 B16R1.276 COCCCOc1ccc(c(c1)F)C(=O)C 7a_100000752407_100000740836 [0,2,0,0,0,0|2,0,0]=4 5130 B16R1.276 COCCCOc1ccc(c(c1)F)C(=O)N 34a_200012186767_100000740836 [0,2,0,0,0,0|2,0,0]=4 5131 B16R1.276 COCCCOc1ccc(c(c1)F)C(=O)N 7a_200012186767_100000740836 [0,2,0,0,0,0|2,0,0]=4 5132 B16R1.276 COCCCOc1ccc(c(c1)F)[N+](=O)[O-] 7a_100000745333_100000740836 [0,2,0,0,0,0|0,0,0]=2 5133 B16R1.276 COCCCOc1ccc(c(c1)I)[N+](=O)[O-] 7a_100010243554_100000740836 [0,2,0,0,0,0|0,0,0]=2 5134 B16R1.276 COCCCOc1ccc(c(c1)N)C(=O)N 34a_100012186684_100000740836 [0,2,0,0,0,0|2,0,0]=4 5135 B16R1.276 COCCCOc1ccc(c(c1)N)C(=O)N 7a_100012186684_100000740836 [0,2,0,0,0,0|2,0,0]=4 5136 B16R1.276 COCCCOc1ccc(c(c1)N)[N+](=O)[O-] 7a_100000729835_100000740836 [0,2,0,0,0,0|0,0,0]=2 5137 B16R1.276 COCCNCc1ccc(c(c1)Br)[N+](=O)[O-] 270004a_100000209980_100009998837 [0,2,0,0,0,0|2,0,0]=4 5138 B16R1.276 COCCNCc1ccc(c(c1)C)[N+](=O)[O-] 207a_100000209980_100000050484 [0,2,0,0,0,0|2,0,0]=4 5139 B16R1.276 COCCNCc1ccc(c(c1)C)[N+](=O)[O-] 2230a_100000209980_100009816690 [0,2,0,0,0,0|2,0,0]=4 5140 B16R1.276 COCCNCc1ccc(c(c1)C)[N+](=O)[O-] 270004a_100000209980_100000050484 [0,2,0,0,0,0|2,0,0]=4 5141 B16R1.276 COCCNCc1ccc(c(c1)Cl)[N+](=O)[O-] 270004a_100000209980_100000070945 [0,2,0,0,0,0|2,0,0]=4 5142 B16R1.276 COCCNCc1ccc(c(c1)F)[N+](=O)[O-] 2230a_100000209980_100000687068 [0,2,0,0,0,0|2,0,0]=4 5143 B16R1.276 COCCNCc1ccc(c(c1)F)[N+](=O)[O-] 270004a_100000209980_100011934122 [0,2,0,0,0,0|2,0,0]=4 5144 B16R1.276 COCCOCc1ccc(c(c1)C)[N+](=O)[O-] 34a_100000210237_100009816690 [0,2,0,0,0,0|2,0,0]=4 5145 B16R1.276 COCCOCc1ccc(c(c1)C)[N+](=O)[O-] 7a_100000032365_100000233755 [0,2,0,0,0,0|2,0,0]=4 5146 B16R1.276 COCCOCc1ccc(c(c1)F)[N+](=O)[O-] 34a_100000210237_100000687068 [0,2,0,0,0,0|2,0,0]=4 5147 B16R1.276 COCCOCc1ccc(c(c1)F)[N+](=O)[O-] 7a_100011219895_100000233755 [0,2,0,0,0,0|2,0,0]=4 5148 B16R1.276 COCCSCc1ccc(c(c1)F)[N+](=O)[O-] 62a_100000687068_100000233755 [0,2,0,0,0,0|2,0,0]=4 5149 B16R1.276 CSCCOCc1ccc(c(c1)C)[N+](=O)[O-] 34a_100000230434_100009816690 [0,2,0,0,0,0|2,0,0]=4 5150 B16R1.276 CSCCOCc1ccc(c(c1)C)[N+](=O)[O-] 7a_100000032365_100000212216 [0,2,0,0,0,0|2,0,0]=4 5151 B16R1.276 CSCCOCc1ccc(c(c1)C)[N+](=O)[O-] 7a_100000230434_100009816690 [0,2,0,0,0,0|2,0,0]=4 5152 B16R1.276 CSCCOCc1ccc(c(c1)F)[N+](=O)[O-] 34a_100000230434_100000687068 [0,2,0,0,0,0|2,0,0]=4 5153 B16R1.276 CSCCOCc1ccc(c(c1)F)[N+](=O)[O-] 7a_100000230434_100000687068 [0,2,0,0,0,0|2,0,0]=4 5154 B16R1.276 CSCCOCc1ccc(c(c1)F)[N+](=O)[O-] 7a_100011219895_100000212216 [0,2,0,0,0,0|2,0,0]=4 5155 B16R1.276 Cc1cc(ccc1[N+](=O)[O-])C=NNCCO 4a_100000210001_100000050484 [0,2,0,0,0,0|2,0,0]=4 5156 B16R1.276 Cc1cc(ccc1[N+](=O)[O-])CNCCCF 207a_100015189416_100000050484 [0,2,0,0,0,0|2,0,0]=4 5157 B16R1.276 Cc1cc(ccc1[N+](=O)[O-])CNCCCF 2230a_100015189416_100009816690 [0,2,0,0,0,0|2,0,0]=4 5158 B16R1.276 Cc1cc(ccc1[N+](=O)[O-])CNCCCF 270004a_100015189416_100000050484 [0,2,0,0,0,0|2,0,0]=4 5159 B16R1.276 Cc1cc(ccc1[N+](=O)[O-])CNCCCF 34a_100015189416_100009816690 [0,2,0,0,0,0|2,0,0]=4 5160 B16R1.276 Cc1cc(ccc1[N+](=O)[O-])CNCCCO 207a_100000182051_100000050484 [0,2,0,0,0,0|1,0,0]=3 5161 B16R1.276 Cc1cc(ccc1[N+](=O)[O-])CNCCCO 270004a_100000182051_100000050484 [0,2,0,0,0,0|1,0,0]=3 5162 B16R1.276 Cc1cc(ccc1[N+](=O)[O-])COCCC#N 7a_100000032365_100000184422 [0,2,0,0,0,0|1,0,1]=4 5163 B16R1.276 Cc1cc(ccc1[N+](=O)[O-])COCCCBr 34a_100011217188_100009816690 [0,2,0,0,0,0|1,0,0]=3 5164 B16R1.276 Cc1cc(ccc1[N+](=O)[O-])COCCCCl 34a_100000230001_100009816690 [0,2,0,0,0,0|1,0,0]=3 5165 B16R1.276 Cc1cc(ccc1[N+](=O)[O-])COCCCF 34a_100000759539_100009816690 [0,2,0,0,0,0|1,0,0]=3 5166 B16R1.276 Cc1cc(ccc1[N+](=O)[O-])COCCCF 7a_100000032365_100011934791 [0,2,0,0,0,0|1,0,0]=3 5167 B16R1.276 Cc1cc(ccc1[N+](=O)[O-])COCCCN 34a_100000182051_100009816690 [0,2,0,0,0,0|1,0,0]=3 5168 B16R1.276 Cc1cc(ccc1[N+](=O)[O-])COCCCO 7a_100000032365_100011215043 [0,2,0,0,0,0|0,0,0]=2 5169 B16R1.276 Cc1cc(ccc1[N+](=O)[O-])COCCON 34a_100000700252_100009816690 [0,2,0,0,0,0|2,0,0]=4 5170 B16R1.276 Cc1cc(ccc1[N+](=O)[O-])NCC#CCO 34a_100000745639_200000047223 [0,2,0,0,0,0|1,0,1]=4 5171 B16R1.276 Cc1cc(ccc1[N+](=O)[O-])NCC#CCO 7a_100000745639_200000047223 [0,2,0,0,0,0|1,0,1]=4 5172 B16R1.276 Cc1cc(ccc1[N+](=O)[O-])NCCCC#N 7a_100000745639_100000687738 [0,2,0,0,0,0|2,0,0]=4 5173 B16R1.276 Cc1cc(ccc1[N+](=O)[O-])NCCCC=O 7a_100000745639_200011292268 [0,2,0,0,0,0|1,0,1]=4 5174 B16R1.276 Cc1cc(ccc1[N+](=O)[O-])NCCCCF 34a_100000745639_100000729493 [0,2,0,0,0,0|2,0,0]=4 5175 B16R1.276 Cc1cc(ccc1[N+](=O)[O-])NCCCCF 7a_100000745639_100000729493 [0,2,0,0,0,0|2,0,0]=4 5176 B16R1.276 Cc1cc(ccc1[N+](=O)[O-])NCCCCO 34a_100000745639_100011216708 [0,2,0,0,0,0|1,0,0]=3 5177 B16R1.276 Cc1cc(ccc1[N+](=O)[O-])NCCCCO 7a_100000745639_100000210776 [0,2,0,0,0,0|1,0,0]=3 5178 B16R1.276 Cc1cc(ccc1[N+](=O)[O-])OCC#CCO 34a_100000195451_200000047223 [0,2,0,0,0,0|0,0,1]=3 5179 B16R1.276 Cc1cc(ccc1[N+](=O)[O-])OCC#CCO 7a_100000195451_200000047223 [0,2,0,0,0,0|0,0,1]=3 5180 B16R1.276 Cc1cc(ccc1[N+](=O)[O-])OCCCC#N 7a_100000195451_100000687738 [0,2,0,0,0,0|1,0,0]=3 5181 B16R1.276 Cc1cc(ccc1[N+](=O)[O-])OCCCC=O 7a_100000195451_200011292268 [0,2,0,0,0,0|0,0,1]=3 5182 B16R1.276 Cc1cc(ccc1[N+](=O)[O-])OCCCCF 34a_100000195451_100000729493 [0,2,0,0,0,0|1,0,0]=3 5183 B16R1.276 Cc1cc(ccc1[N+](=O)[O-])OCCCCF 7a_100000195451_100000729493 [0,2,0,0,0,0|1,0,0]=3 5184 B16R1.276 Cc1cc(ccc1[N+](=O)[O-])OCCCCO 34a_100000195451_100011216708 [0,2,0,0,0,0|0,0,0]=2 5185 B16R1.276 Cc1cc(ccc1[N+](=O)[O-])OCCCCO 7a_100000195451_100000210776 [0,2,0,0,0,0|0,0,0]=2 5186 B16R1.276 N#CCCCNc1ccc(c(c1)Br)[N+](=O)[O-] 7a_100000693983_100000687738 [0,2,0,0,0,0|2,0,0]=4 5187 B16R1.276 N#CCCCNc1ccc(c(c1)F)[N+](=O)[O-] 7a_100000741728_100000687738 [0,2,0,0,0,0|2,0,0]=4 5188 B16R1.276 N#CCCCOc1ccc(c(c1)Br)[N+](=O)[O-] 7a_100012356988_100000687738 [0,2,0,0,0,0|1,0,0]=3 5189 B16R1.276 N#CCCCOc1ccc(c(c1)Cl)[N+](=O)[O-] 7a_100000746235_100000687738 [0,2,0,0,0,0|1,0,0]=3 5190 B16R1.276 N#CCCCOc1ccc(c(c1)F)[N+](=O)[O-] 7a_100000745333_100000687738 [0,2,0,0,0,0|1,0,0]=3 5191 B16R1.276 N#CCCCOc1ccc(c(c1)I)[N+](=O)[O-] 7a_100010243554_100000687738 [0,2,0,0,0,0|1,0,0]=3 5192 B16R1.276 N#CCCCOc1ccc(c(c1)N)[N+](=O)[O-] 7a_100000729835_100000687738 [0,2,0,0,0,0|1,0,0]=3 5193 B16R1.276 N#CCCOCc1ccc(c(c1)F)[N+](=O)[O-] 7a_100011219895_100000184422 [0,2,0,0,0,0|1,0,1]=4 5194 B16R1.276 NC(=O)c1ccc(cc1Cl)OCCCCO 34a_100011997949_100011216708 [0,2,0,0,0,0|2,0,0]=4 5195 B16R1.276 NC(=O)c1ccc(cc1Cl)OCCCCO 7a_100011997949_100000210776 [0,2,0,0,0,0|2,0,0]=4 5196 B16R1.276 NC(=O)c1ccc(cc1F)OCCCCO 34a_200012186767_100011216708 [0,2,0,0,0,0|2,0,0]=4 5197 B16R1.276 NC(=O)c1ccc(cc1F)OCCCCO 7a_200012186767_100000210776 [0,2,0,0,0,0|2,0,0]=4 5198 B16R1.276 NC(=O)c1ccc(cc1N)OCCCCO 34a_100012186684_100011216708 [0,2,0,0,0,0|2,0,0]=4 5199 B16R1.276 NC(=O)c1ccc(cc1N)OCCCCO 7a_100012186684_100000210776 [0,2,0,0,0,0|2,0,0]=4 5200 B16R1.276 NCCCOCc1ccc(c(c1)F)[N+](=O)[O-] 34a_100000182051_100000687068 [0,2,0,0,0,0|1,0,0]=3 5201 B16R1.276 NOCCOCc1ccc(c(c1)F)[N+](=O)[O-] 34a_100000700252_100000687068 [0,2,0,0,0,0|2,0,0]=4 5202 B16R1.276 Nc1cc(ccc1[N+](=O)[O-])OCC#CCO 7a_100000729835_200000047223 [0,2,0,0,0,0|0,0,1]=3 5203 B16R1.276 Nc1cc(ccc1[N+](=O)[O-])OCCCC=O 7a_100000729835_200011292268 [0,2,0,0,0,0|0,0,1]=3 5204 B16R1.276 Nc1cc(ccc1[N+](=O)[O-])OCCCCF 7a_100000729835_100000729493 [0,2,0,0,0,0|1,0,0]=3 5205 B16R1.276 Nc1cc(ccc1[N+](=O)[O-])OCCCCO 7a_100000729835_100000210776 [0,2,0,0,0,0|0,0,0]=2 5206 B16R1.276 O=CCCCNc1ccc(c(c1)Br)[N+](=O)[O-] 7a_100000693983_200011292268 [0,2,0,0,0,0|1,0,1]=4 5207 B16R1.276 O=CCCCNc1ccc(c(c1)F)[N+](=O)[O-] 7a_100000741728_200011292268 [0,2,0,0,0,0|1,0,1]=4 5208 B16R1.276 O=CCCCOc1ccc(c(c1)Br)[N+](=O)[O-] 7a_100012356988_200011292268 [0,2,0,0,0,0|0,0,1]=3 5209 B16R1.276 O=CCCCOc1ccc(c(c1)Cl)[N+](=O)[O-] 7a_100000746235_200011292268 [0,2,0,0,0,0|0,0,1]=3 5210 B16R1.276 O=CCCCOc1ccc(c(c1)F)[N+](=O)[O-] 7a_100000745333_200011292268 [0,2,0,0,0,0|0,0,1]=3 5211 B16R1.276 O=CCCCOc1ccc(c(c1)I)[N+](=O)[O-] 7a_100010243554_200011292268 [0,2,0,0,0,0|0,0,1]=3 5212 B16R1.276 O=[N+]([O-])c1ccc(cc1Br)C=NNCCO 4a_100000210001_100009998837 [0,2,0,0,0,0|2,0,0]=4 5213 B16R1.276 O=[N+]([O-])c1ccc(cc1Br)CNCCCF 270004a_100015189416_100009998837 [0,2,0,0,0,0|2,0,0]=4 5214 B16R1.276 O=[N+]([O-])c1ccc(cc1Br)CNCCCO 270004a_100000182051_100009998837 [0,2,0,0,0,0|1,0,0]=3 5215 B16R1.276 O=[N+]([O-])c1ccc(cc1Br)NCC#CCO 7a_100000693983_200000047223 [0,2,0,0,0,0|1,0,1]=4 5216 B16R1.276 O=[N+]([O-])c1ccc(cc1Br)NCCCCF 7a_100000693983_100000729493 [0,2,0,0,0,0|2,0,0]=4 5217 B16R1.276 O=[N+]([O-])c1ccc(cc1Br)NCCCCO 7a_100000693983_100000210776 [0,2,0,0,0,0|1,0,0]=3 5218 B16R1.276 O=[N+]([O-])c1ccc(cc1Br)OCC#CCO 34a_100012356988_200000047223 [0,2,0,0,0,0|0,0,1]=3 5219 B16R1.276 O=[N+]([O-])c1ccc(cc1Br)OCC#CCO 7a_100012356988_200000047223 [0,2,0,0,0,0|0,0,1]=3 5220 B16R1.276 O=[N+]([O-])c1ccc(cc1Br)OCCCCF 34a_100012356988_100000729493 [0,2,0,0,0,0|1,0,0]=3 5221 B16R1.276 O=[N+]([O-])c1ccc(cc1Br)OCCCCF 7a_100012356988_100000729493 [0,2,0,0,0,0|1,0,0]=3 5222 B16R1.276 O=[N+]([O-])c1ccc(cc1Br)OCCCCO 34a_100012356988_100011216708 [0,2,0,0,0,0|0,0,0]=2 5223 B16R1.276 O=[N+]([O-])c1ccc(cc1Br)OCCCCO 7a_100012356988_100000210776 [0,2,0,0,0,0|0,0,0]=2 5224 B16R1.276 O=[N+]([O-])c1ccc(cc1Cl)C=NNCCO 4a_100000210001_100000070945 [0,2,0,0,0,0|2,0,0]=4 5225 B16R1.276 O=[N+]([O-])c1ccc(cc1Cl)CNCCCF 270004a_100015189416_100000070945 [0,2,0,0,0,0|2,0,0]=4 5226 B16R1.276 O=[N+]([O-])c1ccc(cc1Cl)CNCCCO 270004a_100000182051_100000070945 [0,2,0,0,0,0|1,0,0]=3 5227 B16R1.276 O=[N+]([O-])c1ccc(cc1Cl)OCC#CCO 34a_100000746235_200000047223 [0,2,0,0,0,0|0,0,1]=3 5228 B16R1.276 O=[N+]([O-])c1ccc(cc1Cl)OCC#CCO 7a_100000746235_200000047223 [0,2,0,0,0,0|0,0,1]=3 5229 B16R1.276 O=[N+]([O-])c1ccc(cc1Cl)OCCCCF 34a_100000746235_100000729493 [0,2,0,0,0,0|1,0,0]=3 5230 B16R1.276 O=[N+]([O-])c1ccc(cc1Cl)OCCCCF 7a_100000746235_100000729493 [0,2,0,0,0,0|1,0,0]=3 5231 B16R1.276 O=[N+]([O-])c1ccc(cc1Cl)OCCCCO 34a_100000746235_100011216708 [0,2,0,0,0,0|0,0,0]=2 5232 B16R1.276 O=[N+]([O-])c1ccc(cc1Cl)OCCCCO 7a_100000746235_100000210776 [0,2,0,0,0,0|0,0,0]=2 5233 B16R1.276 O=[N+]([O-])c1ccc(cc1F)C=NNCCO 4a_100000210001_100011934122 [0,2,0,0,0,0|2,0,0]=4 5234 B16R1.276 O=[N+]([O-])c1ccc(cc1F)CNCCCF 2230a_100015189416_100000687068 [0,2,0,0,0,0|2,0,0]=4 5235 B16R1.276 O=[N+]([O-])c1ccc(cc1F)CNCCCF 270004a_100015189416_100011934122 [0,2,0,0,0,0|2,0,0]=4 5236 B16R1.276 O=[N+]([O-])c1ccc(cc1F)CNCCCF 34a_100015189416_100000687068 [0,2,0,0,0,0|2,0,0]=4 5237 B16R1.276 O=[N+]([O-])c1ccc(cc1F)CNCCCO 270004a_100000182051_100011934122 [0,2,0,0,0,0|1,0,0]=3 5238 B16R1.276 O=[N+]([O-])c1ccc(cc1F)COCCCBr 34a_100011217188_100000687068 [0,2,0,0,0,0|1,0,0]=3 5239 B16R1.276 O=[N+]([O-])c1ccc(cc1F)COCCCCl 34a_100000230001_100000687068 [0,2,0,0,0,0|1,0,0]=3 5240 B16R1.276 O=[N+]([O-])c1ccc(cc1F)COCCCF 34a_100000759539_100000687068 [0,2,0,0,0,0|1,0,0]=3 5241 B16R1.276 O=[N+]([O-])c1ccc(cc1F)COCCCF 7a_100011219895_100011934791 [0,2,0,0,0,0|1,0,0]=3 5242 B16R1.276 O=[N+]([O-])c1ccc(cc1F)COCCCO 7a_100011219895_100011215043 [0,2,0,0,0,0|0,0,0]=2 5243 B16R1.276 O=[N+]([O-])c1ccc(cc1F)CSCCCF 62a_100000687068_100011934791 [0,2,0,0,0,0|1,1,0]=4 5244 B16R1.276 O=[N+]([O-])c1ccc(cc1F)CSCCCO 62a_100000687068_100011215043 [0,2,0,0,0,0|0,1,0]=3 5245 B16R1.276 O=[N+]([O-])c1ccc(cc1F)NCC#CCO 34a_100000741728_200000047223 [0,2,0,0,0,0|1,0,1]=4 5246 B16R1.276 O=[N+]([O-])c1ccc(cc1F)NCC#CCO 7a_100000741728_200000047223 [0,2,0,0,0,0|1,0,1]=4 5247 B16R1.276 O=[N+]([O-])c1ccc(cc1F)NCCCCF 34a_100000741728_100000729493 [0,2,0,0,0,0|2,0,0]=4 5248 B16R1.276 O=[N+]([O-])c1ccc(cc1F)NCCCCF 7a_100000741728_100000729493 [0,2,0,0,0,0|2,0,0]=4 5249 B16R1.276 O=[N+]([O-])c1ccc(cc1F)NCCCCO 34a_100000741728_100011216708 [0,2,0,0,0,0|1,0,0]=3 5250 B16R1.276 O=[N+]([O-])c1ccc(cc1F)NCCCCO 7a_100000741728_100000210776 [0,2,0,0,0,0|1,0,0]=3 5251 B16R1.276 O=[N+]([O-])c1ccc(cc1F)OCC#CCO 7a_100000745333_200000047223 [0,2,0,0,0,0|0,0,1]=3 5252 B16R1.276 O=[N+]([O-])c1ccc(cc1F)OCCCCF 7a_100000745333_100000729493 [0,2,0,0,0,0|1,0,0]=3 5253 B16R1.276 O=[N+]([O-])c1ccc(cc1F)OCCCCO 7a_100000745333_100000210776 [0,2,0,0,0,0|0,0,0]=2 5254 B16R1.276 O=[N+]([O-])c1ccc(cc1I)OCC#CCO 7a_100010243554_200000047223 [0,2,0,0,0,0|0,0,1]=3 5255 B16R1.276 O=[N+]([O-])c1ccc(cc1I)OCCCCF 7a_100010243554_100000729493 [0,2,0,0,0,0|1,0,0]=3 5256 B16R1.276 O=[N+]([O-])c1ccc(cc1I)OCCCCO 7a_100010243554_100000210776 [0,2,0,0,0,0|0,0,0]=2 5257 B16R1.276 O=[N+]([O-])c1ccc(cc1O)C=NNCCO 4a_100000210001_100000748185 [0,2,0,0,0,0|2,0,0]=4 5258 B16R1.1094 C#CC(=O)CCOc1ccc(cc1)[N+](=O)[O-] 1458a_100000211873_100000742347 [0,2,0,0,0,0|0,0,2]=4 5259 B16R1.1094 C=CC(=O)CCOc1ccc(cc1)[N+](=O)[O-] 1458a_100000185746_100000742347 [0,2,0,0,0,0|0,0,2]=4 5260 B16R1.1094 C=CC(C)COCc1ccc(cc1)[N+](=O)[O-] 34a_100011215527_100000181861 [0,2,0,0,0,0|1,0,1]=4 5261 B16R1.1094 C=CC(C)COCc1ccc(cc1)[N+](=O)[O-] 7a_100011215527_100000181861 [0,2,0,0,0,0|1,0,1]=4 5262 B16R1.1094 C=CC(O)CNCc1ccc(cc1)[N+](=O)[O-] 2230a_100000742766_100000730141 [0,2,0,0,0,0|2,0,0]=4 5263 B16R1.1094 C=CC(O)CNCc1ccc(cc1)[N+](=O)[O-] 34a_100000742766_100000730141 [0,2,0,0,0,0|2,0,0]=4 5264 B16R1.1094 C=CC(O)COCc1ccc(cc1)[N+](=O)[O-] 34a_100000211695_100000730141 [0,2,0,0,0,0|1,0,1]=4 5265 B16R1.1094 C=CC(O)CSCc1ccc(cc1)[N+](=O)[O-] 62a_100000730141_100000184243 [0,2,0,0,0,0|2,0,0]=4 5266 B16R1.1094 C=C[C@H](N)COCc1ccc(cc1)[N+](=O)[O-] 34a_100016989147_100000181861 [0,2,0,0,0,0|1,0,1]=4 5267 B16R1.1094 CC(=O)c1ccc(cc1)COCC(O)CO 7a_100000082505_100011219619 [0,2,0,0,0,0|2,0,0]=4 5268 B16R1.1094 CC(=O)c1ccc(cc1)COC[C@@H](C)CO 7a_100000082505_100000059175 [0,2,0,0,0,0|2,0,0]=4 5269 B16R1.1094 CC(=O)c1ccc(cc1)COC[C@@H](O)CO 7a_100000082505_100009815848 [0,2,0,0,0,0|2,0,0]=4 5270 B16R1.1094 CC(CF)OCCc1ccc(cc1)[N+](=O)[O-] 34a_100016041109_100000736421 [0,2,0,0,0,0|2,0,0]=4 5271 B16R1.1094 CC(CF)OCCc1ccc(cc1)[N+](=O)[O-] 7a_100016041109_100000736421 [0,2,0,0,0,0|2,0,0]=4 5272 B16R1.1094 CC(CN)COCc1ccc(cc1)[N+](=O)[O-] 34a_100000744482_100000181861 [0,2,0,0,0,0|1,0,0]=3 5273 B16R1.1094 CC(CN)OCCc1ccc(cc1)[N+](=O)[O-] 34a_100000210904_100000736421 [0,2,0,0,0,0|2,0,0]=4 5274 B16R1.1094 CC(CO)CNCc1ccc(cc1)[N+](=O)[O-] 207a_100000744482_100000189386 [0,2,0,0,0,0|1,0,0]=3 5275 B16R1.1094 CC(CO)CNCc1ccc(cc1)[N+](=O)[O-] 34a_100000744482_100000181861 [0,2,0,0,0,0|1,0,0]=3 5276 B16R1.1094 CC(CO)NCCc1ccc(cc1)[N+](=O)[O-] 2230a_100000744123_100012180447 [0,2,0,0,0,0|1,0,0]=3 5277 B16R1.1094 CC(CO)NCCc1ccc(cc1)[N+](=O)[O-] 34a_100000744123_100012180447 [0,2,0,0,0,0|1,0,0]=3 5278 B16R1.1094 CC(CO)OCCc1ccc(cc1)[N+](=O)[O-] 34a_100000704122_100012180447 [0,2,0,0,0,0|1,0,0]=3 5279 B16R1.1094 CC(CO)OCCc1ccc(cc1)[N+](=O)[O-] 7a_100000704122_100012180447 [0,2,0,0,0,0|1,0,0]=3 5280 B16R1.1094 CC(CO)SCCc1ccc(cc1)[N+](=O)[O-] 62a_100012180447_100000736421 [0,2,0,0,0,0|1,0,0]=3 5281 B16R1.1094 CCC(=O)CCCc1ccc(cc1)[N+](=O)[O-] 1458a_100000210414_100010167727 [0,2,0,0,0,0|2,0,0]=4 5282 B16R1.1094 CCC(=O)CCCc1ccc(cc1)[N+](=O)[O-] 1458a_100011214885_100000210202 [0,2,0,0,0,0|2,0,0]=4 5283 B16R1.1094 CCC(=O)CCOc1ccc(cc1)[N+](=O)[O-] 1458a_100000210414_100000742347 [0,2,0,0,0,0|1,0,0]=3 5284 B16R1.1094 CCC(=O)CCOc1ccc(cc1)[N+](=O)[O-] 1458a_100000738207_100000210202 [0,2,0,0,0,0|1,0,0]=3 5285 B16R1.1094 CCC(=O)COCc1ccc(cc1)[N+](=O)[O-] 34a_100000725409_100000181861 [0,2,0,0,0,0|1,0,1]=4 5286 B16R1.1094 CCC(C)CNCc1ccc(cc1)[N+](=O)[O-] 207a_100020588543_100000189386 [0,2,0,0,0,0|2,0,0]=4 5287 B16R1.1094 CCC(C)CNCc1ccc(cc1)[N+](=O)[O-] 2230a_100000742766_100000748023 [0,2,0,0,0,0|2,0,0]=4 5288 B16R1.1094 CCC(C)CNCc1ccc(cc1)[N+](=O)[O-] 2230a_100020588543_100000181861 [0,2,0,0,0,0|2,0,0]=4 5289 B16R1.1094 CCC(C)CNCc1ccc(cc1)[N+](=O)[O-] 26a_100020588543_100000185810 [0,2,0,0,0,0|2,0,0]=4 5290 B16R1.1094 CCC(C)CNCc1ccc(cc1)[N+](=O)[O-] 270004a_100000742766_100000243153 [0,2,0,0,0,0|2,0,0]=4 5291 B16R1.1094 CCC(C)CNCc1ccc(cc1)[N+](=O)[O-] 270004a_100020588543_100000189386 [0,2,0,0,0,0|2,0,0]=4 5292 B16R1.1094 CCC(C)CNCc1ccc(cc1)[N+](=O)[O-] 34a_100000742766_100000748023 [0,2,0,0,0,0|2,0,0]=4 5293 B16R1.1094 CCC(C)COCc1ccc(cc1)[N+](=O)[O-] 34a_100000211695_100000748023 [0,2,0,0,0,0|1,0,0]=3 5294 B16R1.1094 CCC(C)CSCc1ccc(cc1)[N+](=O)[O-] 62a_100000748023_100000184243 [0,2,0,0,0,0|1,1,0]=4 5295 B16R1.1094 CCC(C)NCCc1ccc(cc1)[N+](=O)[O-] 2230a_100000209981_100000736421 [0,2,0,0,0,0|2,0,0]=4 5296 B16R1.1094 CCC(C)NCCc1ccc(cc1)[N+](=O)[O-] 2230a_100000744123_100000758301 [0,2,0,0,0,0|2,0,0]=4 5297 B16R1.1094 CCC(C)NCCc1ccc(cc1)[N+](=O)[O-] 34a_100000744123_100011215416 [0,2,0,0,0,0|2,0,0]=4 5298 B16R1.1094 CCC(C)OCCc1ccc(cc1)[N+](=O)[O-] 34a_100000704122_100011215416 [0,2,0,0,0,0|2,0,0]=4 5299 B16R1.1094 CCC(C)OCCc1ccc(cc1)[N+](=O)[O-] 7a_100000210228_100000736421 [0,2,0,0,0,0|2,0,0]=4 5300 B16R1.1094 CCC(C)OCCc1ccc(cc1)[N+](=O)[O-] 7a_100000704122_100000758301 [0,2,0,0,0,0|2,0,0]=4 5301 B16R1.1094 CCC(C)SCCc1ccc(cc1)[N+](=O)[O-] 62a_100000758301_100000736421 [0,2,0,0,0,0|2,0,0]=4 5302 B16R1.1094 CCC(O)CNCc1ccc(cc1)[N+](=O)[O-] 207a_100011218483_100000189386 [0,2,0,0,0,0|2,0,0]=4 5303 B16R1.1094 CCC(O)CNCc1ccc(cc1)[N+](=O)[O-] 2230a_100000742766_100011218378 [0,2,0,0,0,0|2,0,0]=4 5304 B16R1.1094 CCC(O)CNCc1ccc(cc1)[N+](=O)[O-] 2230a_100011218483_100000181861 [0,2,0,0,0,0|2,0,0]=4 5305 B16R1.1094 CCC(O)CNCc1ccc(cc1)[N+](=O)[O-] 270004a_100011218483_100000189386 [0,2,0,0,0,0|2,0,0]=4 5306 B16R1.1094 CCC(O)CNCc1ccc(cc1)[N+](=O)[O-] 34a_100000742766_100011218378 [0,2,0,0,0,0|2,0,0]=4 5307 B16R1.1094 CCC(O)COCc1ccc(cc1)[N+](=O)[O-] 34a_100000211695_100011218378 [0,2,0,0,0,0|1,0,0]=3 5308 B16R1.1094 CCC(O)CSCc1ccc(cc1)[N+](=O)[O-] 62a_100011218378_100000184243 [0,2,0,0,0,0|1,1,0]=4 5309 B16R1.1094 CCN(C)CCCc1ccc(cc1)[N+](=O)[O-] 2230a_100000225621_100010167727 [0,2,0,0,0,0|2,0,0]=4 5310 B16R1.1094 CCN(C)CCCc1ccc(cc1)[N+](=O)[O-] 269982a_100000225621_100010167727 [0,2,0,0,0,0|2,0,0]=4 5311 B16R1.1094 CCN(C)CCOc1ccc(cc1)[N+](=O)[O-] 2230a_100000225621_100000742347 [0,2,0,0,0,0|1,0,0]=3 5312 B16R1.1094 CCN(C)CCOc1ccc(cc1)[N+](=O)[O-] 269982a_100000225621_100000742347 [0,2,0,0,0,0|1,0,0]=3 5313 B16R1.1094 CC[C@H](C)CNCc1ccc(cc1)[N+](=O)[O-] 2230a_100000742766_100009816398 [0,2,0,0,0,0|2,0,0]=4 5314 B16R1.1094 CC[C@H](C)CNCc1ccc(cc1)[N+](=O)[O-] 34a_100000742766_100009816398 [0,2,0,0,0,0|2,0,0]=4 5315 B16R1.1094 CC[C@H](C)COCc1ccc(cc1)[N+](=O)[O-] 34a_100000211695_100009816398 [0,2,0,0,0,0|1,0,0]=3 5316 B16R1.1094 CC[C@H](C)COCc1ccc(cc1)[N+](=O)[O-] 7a_100009816381_100000181861 [0,2,0,0,0,0|1,0,0]=3 5317 B16R1.1094 CC[C@H](C)CSCc1ccc(cc1)[N+](=O)[O-] 62a_100009816398_100000184243 [0,2,0,0,0,0|1,1,0]=4 5318 B16R1.1094 CNC(=O)CCOc1ccc(cc1)[N+](=O)[O-] 11a_106832991635_100000738207 [0,2,0,0,0,0|0,0,2]=4 5319 B16R1.1094 CNC(=O)CCOc1ccc(cc1)[N+](=O)[O-] 1626a_100102657272_100000738207 [0,2,0,0,0,0|0,0,2]=4 5320 B16R1.1094 CNC(=O)CCOc1ccc(cc1)[N+](=O)[O-] 240690a_100102657272_100000738207 [0,2,0,0,0,0|0,0,2]=4 5321 B16R1.1094 CNC(=O)CCOc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_100012179268 [0,2,0,0,0,0|0,0,2]=4 5322 B16R1.1094 CNC(=O)CCOc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_100000737683 [0,2,0,0,0,0|0,0,2]=4 5323 B16R1.1094 COC(=O)CCNc1ccc(cc1)[N+](=O)[O-] 2230a_100015195142_100000204255 [0,2,0,0,0,0|1,0,1]=4 5324 B16R1.1094 COC(=O)CCNc1ccc(cc1)[N+](=O)[O-] 34a_100015195142_100000742370 [0,2,0,0,0,0|1,0,1]=4 5325 B16R1.1094 COC(=O)CCOc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_100000742370 [0,2,0,0,0,0|0,0,1]=3 5326 B16R1.1094 COC(=O)CCOc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_100000204255 [0,2,0,0,0,0|0,0,1]=3 5327 B16R1.1094 COC(=O)CCOc1ccc(nc1)[N+](=O)[O-] 7a_100000060138_100000204255 [0,2,0,0,0,0|1,0,1]=4 5328 B16R1.1094 COC(C)COCc1ccc(cc1)[N+](=O)[O-] 34a_100000690652_100000181861 [0,2,0,0,0,0|2,0,0]=4 5329 B16R1.1094 COC(C)SCCc1ccc(cc1)[N+](=O)[O-] 62a_100009879195_100000736421 [0,2,0,0,0,0|2,0,0]=4 5330 B16R1.1094 CO[C@H](C)CNCc1ccc(cc1)[N+](=O)[O-] 207a_100020591295_100000189386 [0,2,0,0,0,0|2,0,0]=4 5331 B16R1.1094 CO[C@H](C)CNCc1ccc(cc1)[N+](=O)[O-] 2230a_100020591295_100000181861 [0,2,0,0,0,0|2,0,0]=4 5332 B16R1.1094 CO[C@H](C)CNCc1ccc(cc1)[N+](=O)[O-] 270004a_100020591295_100000189386 [0,2,0,0,0,0|2,0,0]=4 5333 B16R1.1094 C[C@@H](CO)CNCc1ccc(cc1)[N+](=O)[O-] 2230a_100000742766_100000059175 [0,2,0,0,0,0|1,0,0]=3 5334 B16R1.1094 C[C@@H](CO)CNCc1ccc(cc1)[N+](=O)[O-] 34a_100000742766_100000059175 [0,2,0,0,0,0|1,0,0]=3 5335 B16R1.1094 C[C@@H](CO)COCc1ccc(cc1)C(=O)N 34a_100000162016_100000059175 [0,2,0,0,0,0|2,0,0]=4 5336 B16R1.1094 C[C@@H](CO)COCc1ccc(cc1)C(=O)N 7a_100000162016_100000059175 [0,2,0,0,0,0|2,0,0]=4 5337 B16R1.1094 C[C@@H](CO)COCc1ccc(cc1)[N+](=O)[O-] 34a_100000211695_100000059175 [0,2,0,0,0,0|0,0,0]=2 5338 B16R1.1094 C[C@@H](CO)CSCc1ccc(cc1)[N+](=O)[O-] 62a_100000059175_100000184243 [0,2,0,0,0,0|0,1,0]=3 5339 B16R1.1094 C[C@H](CO)NCCc1ccc(cc1)[N+](=O)[O-] 2230a_100000737577_100000736421 [0,2,0,0,0,0|1,0,0]=3 5340 B16R1.1094 C[C@H](CO)SCCc1ccc(cc1)[N+](=O)[O-] 62a_100016084084_100000736421 [0,2,0,0,0,0|1,0,0]=3 5341 B16R1.1094 NC(=O)c1ccc(cc1)COCC(O)CO 34a_100000162016_100011219619 [0,2,0,0,0,0|2,0,0]=4 5342 B16R1.1094 NC(=O)c1ccc(cc1)COCC(O)CO 7a_100000162016_100011219619 [0,2,0,0,0,0|2,0,0]=4 5343 B16R1.1094 NC(=O)c1ccc(cc1)COC[C@@H](O)CO 34a_100000162016_100009815848 [0,2,0,0,0,0|2,0,0]=4 5344 B16R1.1094 NC(=O)c1ccc(cc1)COC[C@@H](O)CO 7a_100000162016_100009815848 [0,2,0,0,0,0|2,0,0]=4 5345 B16R1.1094 NC[C@@H](F)COCc1ccc(cc1)[N+](=O)[O-] 34a_100015665980_100000181861 [0,2,0,0,0,0|1,0,0]=3 5346 B16R1.1094 O=C(CF)CCCc1ccc(cc1)[N+](=O)[O-] 1458a_100011214885_100015361967 [0,2,0,0,0,0|2,0,0]=4 5347 B16R1.1094 O=C(CF)CCOc1ccc(cc1)[N+](=O)[O-] 1458a_100000738207_100015361967 [0,2,0,0,0,0|1,0,0]=3 5348 B16R1.1094 O=C(CO)CCCc1ccc(cc1)[N+](=O)[O-] 1458a_100000210174_100010167727 [0,2,0,0,0,0|1,0,0]=3 5349 B16R1.1094 O=C(CO)CCOc1ccc(cc1)[N+](=O)[O-] 1458a_100000210174_100000742347 [0,2,0,0,0,0|0,0,0]=2 5350 B16R1.1094 O=C(CO)NCCc1ccc(cc1)[N+](=O)[O-] 240690a_100000744123_100000210174 [0,2,0,0,0,0|1,0,1]=4 5351 B16R1.1094 O=C(CO)NCCc1ccc(cc1)[N+](=O)[O-] 527a_100000744123_100000210174 [0,2,0,0,0,0|1,0,1]=4 5352 B16R1.1094 O=[N+]([O-])c1ccc(cc1)CNCC(O)CO 2230a_100000742766_100011219619 [0,2,0,0,0,0|1,0,0]=3 5353 B16R1.1094 O=[N+]([O-])c1ccc(cc1)CNCC(O)CO 34a_100000742766_100011219619 [0,2,0,0,0,0|1,0,0]=3 5354 B16R1.1094 O=[N+]([O-])c1ccc(cc1)CNC[C@@H](F)CO 207a_100015665980_100000189386 [0,2,0,0,0,0|1,0,0]=3 5355 B16R1.1094 O=[N+]([O-])c1ccc(cc1)CNC[C@@H](F)CO 270004a_100015665980_100000189386 [0,2,0,0,0,0|1,0,0]=3 5356 B16R1.1094 O=[N+]([O-])c1ccc(cc1)CNC[C@@H](F)CO 34a_100015665980_100000181861 [0,2,0,0,0,0|1,0,0]=3 5357 B16R1.1094 O=[N+]([O-])c1ccc(cc1)CNC[C@@H](O)CF 2230a_100000742766_100015614560 [0,2,0,0,0,0|2,0,0]=4 5358 B16R1.1094 O=[N+]([O-])c1ccc(cc1)CNC[C@@H](O)CF 34a_100000742766_100015614560 [0,2,0,0,0,0|2,0,0]=4 5359 B16R1.1094 O=[N+]([O-])c1ccc(cc1)CNC[C@@H](O)CO 2230a_100000742766_100009815848 [0,2,0,0,0,0|1,0,0]=3 5360 B16R1.1094 O=[N+]([O-])c1ccc(cc1)CNC[C@@H](O)CO 34a_100000742766_100009815848 [0,2,0,0,0,0|1,0,0]=3 5361 B16R1.1094 O=[N+]([O-])c1ccc(cc1)CNC[C@H](O)CO 207a_100020644852_100000189386 [0,2,0,0,0,0|1,0,0]=3 5362 B16R1.1094 O=[N+]([O-])c1ccc(cc1)CNC[C@H](O)CO 2230a_100020644852_100000181861 [0,2,0,0,0,0|1,0,0]=3 5363 B16R1.1094 O=[N+]([O-])c1ccc(cc1)COCC(Cl)CCl 34a_100000033668_100000181861 [0,2,0,0,0,0|1,0,0]=3 5364 B16R1.1094 O=[N+]([O-])c1ccc(cc1)COCC(O)CO 34a_100000211695_100011219619 [0,2,0,0,0,0|0,0,0]=2 5365 B16R1.1094 O=[N+]([O-])c1ccc(cc1)COC[C@@H](O)CF 34a_100000211695_100015614560 [0,2,0,0,0,0|1,0,0]=3 5366 B16R1.1094 O=[N+]([O-])c1ccc(cc1)COC[C@@H](O)CO 34a_100000211695_100009815848 [0,2,0,0,0,0|0,0,0]=2 5367 B16R1.1094 O=[N+]([O-])c1ccc(cc1)CSCC(O)CO 62a_100011219619_100000184243 [0,2,0,0,0,0|0,1,0]=3 5368 B16R1.1094 O=[N+]([O-])c1ccc(cc1)CSC[C@@H](O)CF 62a_100015614560_100000184243 [0,2,0,0,0,0|1,1,0]=4 5369 B16R1.1094 O=[N+]([O-])c1ccc(cc1)CSC[C@@H](O)CO 62a_100009815848_100000184243 [0,2,0,0,0,0|0,1,0]=3 5370 B16R1.1094 O=[N+]([O-])c1ccc(cc1)NN=CC(O)CO 4a_100000006255_100000033539 [0,2,0,0,0,0|1,0,1]=4 5371 B16R1.1274 C=C(Br)CCOCc1ccc(cc1)[N+](=O)[O-] 34a_100009813270_100000181861 [0,2,0,0,0,0|1,0,1]=4 5372 B16R1.1274 C=C(C)CCOCc1ccc(cc1)[N+](=O)[O-] 34a_100000211695_100000730704 [0,2,0,0,0,0|1,0,1]=4 5373 B16R1.1274 C=C(C)CCOCc1ccc(cc1)[N+](=O)[O-] 34a_100000764851_100000181861 [0,2,0,0,0,0|1,0,1]=4 5374 B16R1.1274 CC(=CCCOc1ccc(cc1)[N+](=O)[O-])C 34a_100000185810_100011217483 [0,2,0,0,0,0|1,0,1]=4 5375 B16R1.1274 CC(=CCCOc1ccc(cc1)[N+](=O)[O-])C 7a_100000185810_100011217483 [0,2,0,0,0,0|1,0,1]=4 5376 B16R1.1274 CC(=O)CCCNc1ccc(cc1)[N+](=O)[O-] 34a_100015195142_100000685027 [0,2,0,0,0,0|1,0,1]=4 5377 B16R1.1274 CC(=O)CCCOc1ccc(cc1)[N+](=O)[O-] 1458a_100000070787_100000743267 [0,2,0,0,0,0|0,0,1]=3 5378 B16R1.1274 CC(=O)CCCOc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_100000685027 [0,2,0,0,0,0|0,0,1]=3 5379 B16R1.1274 CC(=O)CCCOc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_100011215641 [0,2,0,0,0,0|0,0,1]=3 5380 B16R1.1274 CC(=O)CCCOc1ccc(nc1)[N+](=O)[O-] 7a_100000060138_100011215641 [0,2,0,0,0,0|1,0,1]=4 5381 B16R1.1274 CC(=O)CCOCc1ccc(cc1)[N+](=O)[O-] 34a_100000759926_100000181861 [0,2,0,0,0,0|0,0,2]=4 5382 B16R1.1274 CC(=O)CCOCc1ccc(cc1)[N+](=O)[O-] 7a_100000759926_100000181861 [0,2,0,0,0,0|0,0,2]=4 5383 B16R1.1274 CC(=O)NCCOc1ccc(cc1)[N+](=O)[O-] 11a_100000754164_100015343762 [0,2,0,0,0,0|0,0,2]=4 5384 B16R1.1274 CC(=O)NCCOc1ccc(cc1)[N+](=O)[O-] 240690a_100000754164_100015343762 [0,2,0,0,0,0|0,0,2]=4 5385 B16R1.1274 CC(=O)NCCOc1ccc(cc1)[N+](=O)[O-] 527a_100000754164_100103153847 [0,2,0,0,0,0|0,0,2]=4 5386 B16R1.1274 CC(=O)NCCOc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_100000189650 [0,2,0,0,0,0|0,0,2]=4 5387 B16R1.1274 CC(=O)OCCOc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_100009814007 [0,2,0,0,0,0|0,0,2]=4 5388 B16R1.1274 CC(=O)OCCOc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_100009814007 [0,2,0,0,0,0|0,0,2]=4 5389 B16R1.1274 CC(=O)c1ccc(cc1)COCCC(C)O 7a_100000082505_100012276601 [0,2,0,0,0,0|2,0,0]=4 5390 B16R1.1274 CC(=O)c1ccc(cc1)OCCCC(C)O 34a_100000185113_200000718107 [0,2,0,0,0,0|2,0,0]=4 5391 B16R1.1274 CC(=O)c1ccc(cc1)OCCCC(C)O 7a_100000185113_200000718107 [0,2,0,0,0,0|2,0,0]=4 5392 B16R1.1274 CC(Br)CCOCc1ccc(cc1)[N+](=O)[O-] 34a_100009893172_100000181861 [0,2,0,0,0,0|1,0,0]=3 5393 B16R1.1274 CC(Br)COCCc1ccc(cc1)[N+](=O)[O-] 34a_100012180447_100000736421 [0,2,0,0,0,0|2,0,0]=4 5394 B16R1.1274 CC(C)CCCNc1ccc(cc1)[N+](=O)[O-] 2230a_100015195142_100011214892 [0,2,0,0,0,0|2,0,0]=4 5395 B16R1.1274 CC(C)CCCNc1ccc(cc1)[N+](=O)[O-] 34a_100015195142_100011214892 [0,2,0,0,0,0|2,0,0]=4 5396 B16R1.1274 CC(C)CCCOc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_100011214892 [0,2,0,0,0,0|1,0,0]=3 5397 B16R1.1274 CC(C)CCCOc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_100011214892 [0,2,0,0,0,0|1,0,0]=3 5398 B16R1.1274 CC(C)CCCOc1ccc(nc1)[N+](=O)[O-] 7a_100000060138_100011214892 [0,2,0,0,0,0|2,0,0]=4 5399 B16R1.1274 CC(C)CCNCc1ccc(cc1)[N+](=O)[O-] 207a_100000210545_100000189386 [0,2,0,0,0,0|2,0,0]=4 5400 B16R1.1274 CC(C)CCNCc1ccc(cc1)[N+](=O)[O-] 2230a_100000742766_100000210312 [0,2,0,0,0,0|2,0,0]=4 5401 B16R1.1274 CC(C)CCNCc1ccc(cc1)[N+](=O)[O-] 269862a_100000742766_100000185833 [0,2,0,0,0,0|2,0,0]=4 5402 B16R1.1274 CC(C)CCNCc1ccc(cc1)[N+](=O)[O-] 26a_100000210545_100000185810 [0,2,0,0,0,0|2,0,0]=4 5403 B16R1.1274 CC(C)CCNCc1ccc(cc1)[N+](=O)[O-] 270004a_100000210545_100000189386 [0,2,0,0,0,0|2,0,0]=4 5404 B16R1.1274 CC(C)CCNCc1ccc(cc1)[N+](=O)[O-] 34a_100000742766_100000210312 [0,2,0,0,0,0|2,0,0]=4 5405 B16R1.1274 CC(C)CCOCc1ccc(cc1)[N+](=O)[O-] 34a_100000210254_100000181861 [0,2,0,0,0,0|1,0,0]=3 5406 B16R1.1274 CC(C)CCOCc1ccc(cc1)[N+](=O)[O-] 34a_100000211695_100000210312 [0,2,0,0,0,0|1,0,0]=3 5407 B16R1.1274 CC(C)CCOCc1ccc(cc1)[N+](=O)[O-] 7a_100000210254_100000181861 [0,2,0,0,0,0|1,0,0]=3 5408 B16R1.1274 CC(C)CCSCc1ccc(cc1)[N+](=O)[O-] 62a_100000210312_100000184243 [0,2,0,0,0,0|1,1,0]=4 5409 B16R1.1274 CC(C)CNCCc1ccc(cc1)[N+](=O)[O-] 2230a_100000210953_100000736421 [0,2,0,0,0,0|2,0,0]=4 5410 B16R1.1274 CC(C)CNCCc1ccc(cc1)[N+](=O)[O-] 2230a_100000744123_100000210760 [0,2,0,0,0,0|2,0,0]=4 5411 B16R1.1274 CC(C)CNCCc1ccc(cc1)[N+](=O)[O-] 270004a_100000744123_100000210432 [0,2,0,0,0,0|2,0,0]=4 5412 B16R1.1274 CC(C)CNCCc1ccc(cc1)[N+](=O)[O-] 34a_100000210953_100000736421 [0,2,0,0,0,0|2,0,0]=4 5413 B16R1.1274 CC(C)CNCCc1ccc(cc1)[N+](=O)[O-] 34a_100000744123_100000210624 [0,2,0,0,0,0|2,0,0]=4 5414 B16R1.1274 CC(C)COCCc1ccc(cc1)[N+](=O)[O-] 34a_100000210257_100000736421 [0,2,0,0,0,0|2,0,0]=4 5415 B16R1.1274 CC(C)COCCc1ccc(cc1)[N+](=O)[O-] 34a_100000704122_100000210624 [0,2,0,0,0,0|2,0,0]=4 5416 B16R1.1274 CC(C)COCCc1ccc(cc1)[N+](=O)[O-] 7a_100000704122_100000210760 [0,2,0,0,0,0|2,0,0]=4 5417 B16R1.1274 CC(C)CSCCc1ccc(cc1)[N+](=O)[O-] 62a_100000210624_100000736421 [0,2,0,0,0,0|2,0,0]=4 5418 B16R1.1274 CC(C)NCCCc1ccc(cc1)[N+](=O)[O-] 2230a_100138425928_100010167727 [0,2,0,0,0,0|2,0,0]=4 5419 B16R1.1274 CC(C)NCCCc1ccc(cc1)[N+](=O)[O-] 34a_100138425928_100010167727 [0,2,0,0,0,0|2,0,0]=4 5420 B16R1.1274 CC(C)NCCOc1ccc(cc1)[N+](=O)[O-] 2230a_100000754164_100000210206 [0,2,0,0,0,0|1,0,0]=3 5421 B16R1.1274 CC(C)NCCOc1ccc(cc1)[N+](=O)[O-] 2230a_100138425928_100000742347 [0,2,0,0,0,0|1,0,0]=3 5422 B16R1.1274 CC(C)NCCOc1ccc(cc1)[N+](=O)[O-] 34a_100000754164_100000210206 [0,2,0,0,0,0|1,0,0]=3 5423 B16R1.1274 CC(C)NCCOc1ccc(cc1)[N+](=O)[O-] 34a_100138425928_100000742347 [0,2,0,0,0,0|1,0,0]=3 5424 B16R1.1274 CC(C)OCCCc1ccc(cc1)[N+](=O)[O-] 34a_100000090596_100000210206 [0,2,0,0,0,0|2,0,0]=4 5425 B16R1.1274 CC(C)OCCCc1ccc(cc1)[N+](=O)[O-] 34a_100000212225_100010167727 [0,2,0,0,0,0|2,0,0]=4 5426 B16R1.1274 CC(C)OCCCc1ccc(cc1)[N+](=O)[O-] 7a_100000090596_100000210206 [0,2,0,0,0,0|2,0,0]=4 5427 B16R1.1274 CC(C)OCCNc1ccc(cc1)[N+](=O)[O-] 2230a_100015195142_100000211751 [0,2,0,0,0,0|2,0,0]=4 5428 B16R1.1274 CC(C)OCCNc1ccc(cc1)[N+](=O)[O-] 34a_100015195142_100000211751 [0,2,0,0,0,0|2,0,0]=4 5429 B16R1.1274 CC(C)OCCOc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_100000211751 [0,2,0,0,0,0|1,0,0]=3 5430 B16R1.1274 CC(C)OCCOc1ccc(cc1)[N+](=O)[O-] 34a_100000193241_100000210206 [0,2,0,0,0,0|1,0,0]=3 5431 B16R1.1274 CC(C)OCCOc1ccc(cc1)[N+](=O)[O-] 34a_100000212225_100000742347 [0,2,0,0,0,0|1,0,0]=3 5432 B16R1.1274 CC(C)OCCOc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_100000211751 [0,2,0,0,0,0|1,0,0]=3 5433 B16R1.1274 CC(C)OCCOc1ccc(cc1)[N+](=O)[O-] 7a_100000193241_100000210206 [0,2,0,0,0,0|1,0,0]=3 5434 B16R1.1274 CC(C)OCCOc1ccc(cn1)[N+](=O)[O-] 34a_100000040108_100000210206 [0,2,0,0,0,0|2,0,0]=4 5435 B16R1.1274 CC(C)OCCOc1ccc(nc1)[N+](=O)[O-] 7a_100000060138_100000211751 [0,2,0,0,0,0|2,0,0]=4 5436 B16R1.1274 CC(C)OCCSc1ccc(cc1)[N+](=O)[O-] 7a_100000156324_100000210206 [0,2,0,0,0,0|1,1,0]=4 5437 B16R1.1274 CC(C)OCOCc1ccc(cc1)[N+](=O)[O-] 34a_100000211695_100000709892 [0,2,0,0,0,0|2,0,0]=4 5438 B16R1.1274 CC(C)SCCCc1ccc(cc1)[N+](=O)[O-] 62a_100000210206_100010167727 [0,2,0,0,0,0|2,0,0]=4 5439 B16R1.1274 CC(C)SCCNc1ccc(cc1)[N+](=O)[O-] 2230a_100015195142_100000730970 [0,2,0,0,0,0|2,0,0]=4 5440 B16R1.1274 CC(C)SCCNc1ccc(cc1)[N+](=O)[O-] 34a_100015195142_100000730970 [0,2,0,0,0,0|2,0,0]=4 5441 B16R1.1274 CC(C)SCCOc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_100000730970 [0,2,0,0,0,0|1,0,0]=3 5442 B16R1.1274 CC(C)SCCOc1ccc(cc1)[N+](=O)[O-] 62a_100000210206_100000742347 [0,2,0,0,0,0|1,0,0]=3 5443 B16R1.1274 CC(C)SCCOc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_100000730970 [0,2,0,0,0,0|1,0,0]=3 5444 B16R1.1274 CC(C)SCCOc1ccc(nc1)[N+](=O)[O-] 7a_100000060138_100000730970 [0,2,0,0,0,0|2,0,0]=4 5445 B16R1.1274 CC(F)COCCc1ccc(cc1)[N+](=O)[O-] 34a_100015925927_100000736421 [0,2,0,0,0,0|2,0,0]=4 5446 B16R1.1274 CC(O)CCCNc1ccc(cc1)[N+](=O)[O-] 2230a_100015195142_200000718107 [0,2,0,0,0,0|1,0,0]=3 5447 B16R1.1274 CC(O)CCCNc1ccc(cc1)[N+](=O)[O-] 34a_100015195142_200000718107 [0,2,0,0,0,0|1,0,0]=3 5448 B16R1.1274 CC(O)CCCOc1ccc(cc1)C(=O)N 34a_100000746352_200000718107 [0,2,0,0,0,0|2,0,0]=4 5449 B16R1.1274 CC(O)CCCOc1ccc(cc1)C(=O)N 7a_100000746352_200000718107 [0,2,0,0,0,0|2,0,0]=4 5450 B16R1.1274 CC(O)CCCOc1ccc(cc1)S(=O)C 34a_200000064373_200000718107 [0,2,0,0,0,0|2,0,0]=4 5451 B16R1.1274 CC(O)CCCOc1ccc(cc1)S(=O)C 7a_200000064373_200000718107 [0,2,0,0,0,0|2,0,0]=4 5452 B16R1.1274 CC(O)CCCOc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_200000718107 [0,2,0,0,0,0|0,0,0]=2 5453 B16R1.1274 CC(O)CCCOc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_200000718107 [0,2,0,0,0,0|0,0,0]=2 5454 B16R1.1274 CC(O)CCCOc1ccc(nc1)[N+](=O)[O-] 7a_100000060138_200000718107 [0,2,0,0,0,0|1,0,0]=3 5455 B16R1.1274 CC(O)CCNCc1ccc(cc1)[N+](=O)[O-] 207a_200000755665_100000189386 [0,2,0,0,0,0|1,0,0]=3 5456 B16R1.1274 CC(O)CCNCc1ccc(cc1)[N+](=O)[O-] 2230a_100000742766_100012276601 [0,2,0,0,0,0|1,0,0]=3 5457 B16R1.1274 CC(O)CCNCc1ccc(cc1)[N+](=O)[O-] 2230a_200000755665_100000181861 [0,2,0,0,0,0|1,0,0]=3 5458 B16R1.1274 CC(O)CCNCc1ccc(cc1)[N+](=O)[O-] 270004a_200000755665_100000189386 [0,2,0,0,0,0|1,0,0]=3 5459 B16R1.1274 CC(O)CCNCc1ccc(cc1)[N+](=O)[O-] 34a_100000742766_100012276601 [0,2,0,0,0,0|1,0,0]=3 5460 B16R1.1274 CC(O)CCOCc1ccc(cc1)C(=O)N 34a_100000162016_100012276601 [0,2,0,0,0,0|2,0,0]=4 5461 B16R1.1274 CC(O)CCOCc1ccc(cc1)C(=O)N 7a_100000162016_100012276601 [0,2,0,0,0,0|2,0,0]=4 5462 B16R1.1274 CC(O)CCOCc1ccc(cc1)[N+](=O)[O-] 34a_100000211695_100012276601 [0,2,0,0,0,0|0,0,0]=2 5463 B16R1.1274 CC(O)CCSCc1ccc(cc1)[N+](=O)[O-] 62a_100012276601_100000184243 [0,2,0,0,0,0|0,1,0]=3 5464 B16R1.1274 CC(O)CNCCc1ccc(cc1)[N+](=O)[O-] 2230a_100000210904_100000736421 [0,2,0,0,0,0|1,0,0]=3 5465 B16R1.1274 CC(O)CNCCc1ccc(cc1)[N+](=O)[O-] 2230a_100000744123_100011218427 [0,2,0,0,0,0|1,0,0]=3 5466 B16R1.1274 CC(O)CNCCc1ccc(cc1)[N+](=O)[O-] 34a_100000210904_100000736421 [0,2,0,0,0,0|1,0,0]=3 5467 B16R1.1274 CC(O)CNCCc1ccc(cc1)[N+](=O)[O-] 34a_100000744123_100011218427 [0,2,0,0,0,0|1,0,0]=3 5468 B16R1.1274 CC(O)CNN=Cc1ccc(cc1)[N+](=O)[O-] 4a_200000730056_100000189386 [0,2,0,0,0,0|2,0,0]=4 5469 B16R1.1274 CC(O)COCCc1ccc(cc1)[N+](=O)[O-] 34a_100000704122_100011218427 [0,2,0,0,0,0|1,0,0]=3 5470 B16R1.1274 CC(O)COCCc1ccc(cc1)[N+](=O)[O-] 7a_100000704122_100011218427 [0,2,0,0,0,0|1,0,0]=3 5471 B16R1.1274 CC(O)CSCCc1ccc(cc1)[N+](=O)[O-] 62a_100011218427_100000736421 [0,2,0,0,0,0|1,0,0]=3 5472 B16R1.1274 CN(C)CCCOc1ccc(cc1)[N+](=O)[O-] 2230a_100102631434_100000743267 [0,2,0,0,0,0|1,0,0]=3 5473 B16R1.1274 CN(C)CCCOc1ccc(cc1)[N+](=O)[O-] 269982a_100102631434_100000743267 [0,2,0,0,0,0|1,0,0]=3 5474 B16R1.1274 CN(C)CCCOc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_100000757444 [0,2,0,0,0,0|1,0,0]=3 5475 B16R1.1274 CN(C)CCCOc1ccc(nc1)[N+](=O)[O-] 7a_100000060138_100000757444 [0,2,0,0,0,0|2,0,0]=4 5476 B16R1.1274 C[C@@H](Cl)COCCc1ccc(cc1)[N+](=O)[O-] 34a_100016084084_100000736421 [0,2,0,0,0,0|2,0,0]=4 5477 B16R1.1274 C[C@@H](N)CCOCc1ccc(cc1)[N+](=O)[O-] 34a_100000706166_100000181861 [0,2,0,0,0,0|1,0,0]=3 5478 B16R1.1274 C[C@@H](N)COCCc1ccc(cc1)[N+](=O)[O-] 34a_100000737577_100000736421 [0,2,0,0,0,0|2,0,0]=4 5479 B16R1.1274 C[C@@H](O)CNCCc1ccc(cc1)[N+](=O)[O-] 2230a_100000744123_100009817552 [0,2,0,0,0,0|1,0,0]=3 5480 B16R1.1274 C[C@@H](O)CNCCc1ccc(cc1)[N+](=O)[O-] 34a_100000744123_100009817552 [0,2,0,0,0,0|1,0,0]=3 5481 B16R1.1274 C[C@@H](O)COCCc1ccc(cc1)[N+](=O)[O-] 34a_100000704122_100009817552 [0,2,0,0,0,0|1,0,0]=3 5482 B16R1.1274 C[C@@H](O)COCCc1ccc(cc1)[N+](=O)[O-] 7a_100000704122_100009817552 [0,2,0,0,0,0|1,0,0]=3 5483 B16R1.1274 C[C@@H](O)CSCCc1ccc(cc1)[N+](=O)[O-] 62a_100009817552_100000736421 [0,2,0,0,0,0|1,0,0]=3 5484 B16R1.1274 NC(=O)CCCNc1ccc(cc1)[N+](=O)[O-] 34a_100015195142_100102525003 [0,2,0,0,0,0|1,0,1]=4 5485 B16R1.1274 NC(=O)CCCOc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_100102525003 [0,2,0,0,0,0|0,0,1]=3 5486 B16R1.1274 NC(=O)CCCOc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_100102525003 [0,2,0,0,0,0|0,0,1]=3 5487 B16R1.1274 NC(=O)CCCOc1ccc(nc1)[N+](=O)[O-] 7a_100000060138_100102525003 [0,2,0,0,0,0|1,0,1]=4 5488 B16R1.1274 NC(=O)CCOCc1ccc(cc1)[N+](=O)[O-] 34a_100000211695_100000731001 [0,2,0,0,0,0|0,0,2]=4 5489 B16R1.1274 NC(=O)CCOCc1ccc(cc1)[N+](=O)[O-] 34a_100000757172_100000181861 [0,2,0,0,0,0|0,0,2]=4 5490 B16R1.1274 NC(=O)CCOCc1ccc(cc1)[N+](=O)[O-] 7a_100000757172_100000181861 [0,2,0,0,0,0|0,0,2]=4 5491 B16R1.1274 NC(=O)NCCOc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_200000034859 [0,2,0,0,0,0|0,0,2]=4 5492 B16R1.1274 NC(=O)OCCOc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_200011214921 [0,2,0,0,0,0|0,0,2]=4 5493 B16R1.1274 NC(=O)OCCOc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_200011214921 [0,2,0,0,0,0|0,0,2]=4 5494 B16R1.1274 O=C(O)CNCCc1ccc(cc1)[N+](=O)[O-] 269956a_100016091260_100000736421 [0,2,0,0,0,0|1,0,1]=4 5495 B16R1.1274 O=[N+]([O-])c1ccc(cc1)CCNCC(F)F 2230a_100000744123_100011934356 [0,2,0,0,0,0|2,0,0]=4 5496 B16R1.1274 O=[N+]([O-])c1ccc(cc1)CCNCC(F)F 34a_100000744123_100011934356 [0,2,0,0,0,0|2,0,0]=4 5497 B16R1.1274 O=[N+]([O-])c1ccc(cc1)CCNCC(F)F 34a_100000765723_100000736421 [0,2,0,0,0,0|2,0,0]=4 5498 B16R1.1274 O=[N+]([O-])c1ccc(cc1)CCOCC(F)F 34a_100000704122_100011934356 [0,2,0,0,0,0|2,0,0]=4 5499 B16R1.1274 O=[N+]([O-])c1ccc(cc1)CCOCC(F)F 34a_100000743014_100000736421 [0,2,0,0,0,0|2,0,0]=4 5500 B16R1.1274 O=[N+]([O-])c1ccc(cc1)CCOCC(F)F 7a_100000704122_100011934356 [0,2,0,0,0,0|2,0,0]=4 5501 B16R1.1274 O=[N+]([O-])c1ccc(cc1)CCSCC(F)F 62a_100011934356_100000736421 [0,2,0,0,0,0|2,0,0]=4 5502 B16R1.1274 O=[N+]([O-])c1ccc(cc1)COCCC(F)F 34a_100103093639_100000181861 [0,2,0,0,0,0|1,0,0]=3 5503 B16R1.1274 O=[N+]([O-])c1ccc(cc1)OC/C=C/B(O)O 34a_100000185810_100016262062 [0,2,0,0,0,0|0,0,2]=4 5504 B16R1.1274 O=[N+]([O-])c1ccc(cc1)OC/C=C/B(O)O 7a_100000185810_100016262062 [0,2,0,0,0,0|0,0,2]=4 5505 B16R1.1274 O=[N+]([O-])c1ccc(cc1)OCCC=C(F)F 34a_100000185810_200009816681 [0,2,0,0,0,0|1,0,1]=4 5506 B16R1.1274 O=[N+]([O-])c1ccc(cc1)OCCC=C(F)F 7a_100000185810_200009816681 [0,2,0,0,0,0|1,0,1]=4 5507 B16R1.1402 C#CCCCCNc1ccc(cc1)[N+](=O)[O-] 2230a_100015195142_100010269958 [0,2,0,0,0,0|2,0,0]=4 5508 B16R1.1402 C#CCCCCNc1ccc(cc1)[N+](=O)[O-] 34a_100015195142_100010269958 [0,2,0,0,0,0|2,0,0]=4 5509 B16R1.1402 C#CCCCCOc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_100010269958 [0,2,0,0,0,0|1,0,0]=3 5510 B16R1.1402 C#CCCCCOc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_100010269958 [0,2,0,0,0,0|1,0,0]=3 5511 B16R1.1402 C#CCCCCOc1ccc(nc1)[N+](=O)[O-] 7a_100000060138_100010269958 [0,2,0,0,0,0|2,0,0]=4 5512 B16R1.1402 C#CCCCNCc1ccc(cc1)[N+](=O)[O-] 207a_100000718082_100000189386 [0,2,0,0,0,0|2,0,0]=4 5513 B16R1.1402 C#CCCCNCc1ccc(cc1)[N+](=O)[O-] 2230a_100000742766_100000731252 [0,2,0,0,0,0|2,0,0]=4 5514 B16R1.1402 C#CCCCNCc1ccc(cc1)[N+](=O)[O-] 270004a_100000718082_100000189386 [0,2,0,0,0,0|2,0,0]=4 5515 B16R1.1402 C#CCCCNCc1ccc(cc1)[N+](=O)[O-] 34a_100000718082_100000181861 [0,2,0,0,0,0|2,0,0]=4 5516 B16R1.1402 C#CCCCNCc1ccc(cc1)[N+](=O)[O-] 34a_100000742766_100000695029 [0,2,0,0,0,0|2,0,0]=4 5517 B16R1.1402 C#CCCCOCc1ccc(cc1)[N+](=O)[O-] 34a_100000211695_100000695029 [0,2,0,0,0,0|1,0,0]=3 5518 B16R1.1402 C#CCCCOCc1ccc(cc1)[N+](=O)[O-] 34a_100000215630_100000181861 [0,2,0,0,0,0|1,0,0]=3 5519 B16R1.1402 C#CCCCOCc1ccc(cc1)[N+](=O)[O-] 7a_100000215630_100000181861 [0,2,0,0,0,0|1,0,0]=3 5520 B16R1.1402 C#CCCCSCc1ccc(cc1)[N+](=O)[O-] 62a_100011215417_100000184243 [0,2,0,0,0,0|1,1,0]=4 5521 B16R1.1402 C#CCCNCCc1ccc(cc1)[N+](=O)[O-] 2230a_100000744123_100000688953 [0,2,0,0,0,0|2,0,0]=4 5522 B16R1.1402 C#CCCNCCc1ccc(cc1)[N+](=O)[O-] 34a_100000744123_100000688953 [0,2,0,0,0,0|2,0,0]=4 5523 B16R1.1402 C#CCCNCCc1ccc(cc1)[N+](=O)[O-] 34a_100000755551_100000736421 [0,2,0,0,0,0|2,0,0]=4 5524 B16R1.1402 C#CCCOCCc1ccc(cc1)[N+](=O)[O-] 34a_100000704122_100000688953 [0,2,0,0,0,0|1,0,1]=4 5525 B16R1.1402 C#CCCOCCc1ccc(cc1)[N+](=O)[O-] 34a_100011215631_100000736421 [0,2,0,0,0,0|1,0,1]=4 5526 B16R1.1402 C#CCCOCCc1ccc(cc1)[N+](=O)[O-] 7a_100000704122_100000688953 [0,2,0,0,0,0|1,0,1]=4 5527 B16R1.1402 C#CCCSCCc1ccc(cc1)[N+](=O)[O-] 62a_100000688953_100000736421 [0,2,0,0,0,0|2,0,0]=4 5528 B16R1.1402 C#CCNCCCc1ccc(cc1)[N+](=O)[O-] 34a_100000212058_100010167727 [0,2,0,0,0,0|2,0,0]=4 5529 B16R1.1402 C#CCNCCOc1ccc(cc1)[N+](=O)[O-] 2230a_100000754164_100000038162 [0,2,0,0,0,0|1,0,0]=3 5530 B16R1.1402 C#CCNCCOc1ccc(cc1)[N+](=O)[O-] 34a_100000212058_100000742347 [0,2,0,0,0,0|1,0,0]=3 5531 B16R1.1402 C#CCNCCOc1ccc(cc1)[N+](=O)[O-] 34a_100000754164_100000184674 [0,2,0,0,0,0|1,0,0]=3 5532 B16R1.1402 C#CCOCCCc1ccc(cc1)[N+](=O)[O-] 34a_100000090596_100000184674 [0,2,0,0,0,0|2,0,0]=4 5533 B16R1.1402 C#CCOCCCc1ccc(cc1)[N+](=O)[O-] 34a_100000210247_100010167727 [0,2,0,0,0,0|2,0,0]=4 5534 B16R1.1402 C#CCOCCCc1ccc(cc1)[N+](=O)[O-] 7a_100000090596_100000038162 [0,2,0,0,0,0|2,0,0]=4 5535 B16R1.1402 C#CCOCCNc1ccc(cc1)[N+](=O)[O-] 2230a_100015195142_100010402529 [0,2,0,0,0,0|2,0,0]=4 5536 B16R1.1402 C#CCOCCNc1ccc(cc1)[N+](=O)[O-] 34a_100015195142_100010402529 [0,2,0,0,0,0|2,0,0]=4 5537 B16R1.1402 C#CCOCCOc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_100010402529 [0,2,0,0,0,0|1,0,0]=3 5538 B16R1.1402 C#CCOCCOc1ccc(cc1)[N+](=O)[O-] 34a_100000193241_100000184674 [0,2,0,0,0,0|1,0,0]=3 5539 B16R1.1402 C#CCOCCOc1ccc(cc1)[N+](=O)[O-] 34a_100000210247_100000742347 [0,2,0,0,0,0|1,0,0]=3 5540 B16R1.1402 C#CCOCCOc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_100010402529 [0,2,0,0,0,0|1,0,0]=3 5541 B16R1.1402 C#CCOCCOc1ccc(cc1)[N+](=O)[O-] 7a_100000193241_100000038162 [0,2,0,0,0,0|1,0,0]=3 5542 B16R1.1402 C#CCOCCOc1ccc(cn1)[N+](=O)[O-] 34a_100000040108_100000184674 [0,2,0,0,0,0|2,0,0]=4 5543 B16R1.1402 C#CCOCCOc1ccc(nc1)[N+](=O)[O-] 7a_100000060138_100010402529 [0,2,0,0,0,0|2,0,0]=4 5544 B16R1.1402 C#CCOCCSc1ccc(cc1)[N+](=O)[O-] 7a_100000156324_100000038162 [0,2,0,0,0,0|1,1,0]=4 5545 B16R1.1402 C#CCSCCCc1ccc(cc1)[N+](=O)[O-] 62a_100000038162_100010167727 [0,2,0,0,0,0|2,0,0]=4 5546 B16R1.1402 C#CCSCCOc1ccc(cc1)[N+](=O)[O-] 62a_100000038162_100000742347 [0,2,0,0,0,0|1,0,0]=3 5547 B16R1.1402 C/C=C/CCOCc1ccc(cc1)[N+](=O)[O-] 34a_100016278192_100000181861 [0,2,0,0,0,0|1,0,1]=4 5548 B16R1.1402 C=CCCCCNc1ccc(cc1)[N+](=O)[O-] 2230a_100015195142_100011215482 [0,2,0,0,0,0|2,0,0]=4 5549 B16R1.1402 C=CCCCCNc1ccc(cc1)[N+](=O)[O-] 34a_100015195142_100011215482 [0,2,0,0,0,0|2,0,0]=4 5550 B16R1.1402 C=CCCCCOc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_100011215482 [0,2,0,0,0,0|1,0,0]=3 5551 B16R1.1402 C=CCCCCOc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_100011215482 [0,2,0,0,0,0|1,0,0]=3 5552 B16R1.1402 C=CCCCCOc1ccc(nc1)[N+](=O)[O-] 7a_100000060138_100011215482 [0,2,0,0,0,0|2,0,0]=4 5553 B16R1.1402 C=CCCCNCc1ccc(cc1)[N+](=O)[O-] 2230a_100000700776_100000181861 [0,2,0,0,0,0|2,0,0]=4 5554 B16R1.1402 C=CCCCNCc1ccc(cc1)[N+](=O)[O-] 2230a_100000742766_100011713584 [0,2,0,0,0,0|2,0,0]=4 5555 B16R1.1402 C=CCCCNCc1ccc(cc1)[N+](=O)[O-] 270004a_100000700776_100000189386 [0,2,0,0,0,0|2,0,0]=4 5556 B16R1.1402 C=CCCCNCc1ccc(cc1)[N+](=O)[O-] 34a_100000700776_100000181861 [0,2,0,0,0,0|2,0,0]=4 5557 B16R1.1402 C=CCCCNCc1ccc(cc1)[N+](=O)[O-] 34a_100000742766_100000757094 [0,2,0,0,0,0|2,0,0]=4 5558 B16R1.1402 C=CCCCOCc1ccc(cc1)[N+](=O)[O-] 34a_100000211695_100000757094 [0,2,0,0,0,0|1,0,0]=3 5559 B16R1.1402 C=CCCCOCc1ccc(cc1)[N+](=O)[O-] 34a_100000758997_100000181861 [0,2,0,0,0,0|1,0,0]=3 5560 B16R1.1402 C=CCCCOCc1ccc(cc1)[N+](=O)[O-] 7a_100000758997_100000181861 [0,2,0,0,0,0|1,0,0]=3 5561 B16R1.1402 C=CCCCSCc1ccc(cc1)[N+](=O)[O-] 62a_100011713584_100000184243 [0,2,0,0,0,0|1,1,0]=4 5562 B16R1.1402 C=CCCNCCc1ccc(cc1)[N+](=O)[O-] 2230a_100000744123_100000754431 [0,2,0,0,0,0|2,0,0]=4 5563 B16R1.1402 C=CCCNCCc1ccc(cc1)[N+](=O)[O-] 2230a_100015191253_100000736421 [0,2,0,0,0,0|2,0,0]=4 5564 B16R1.1402 C=CCCNCCc1ccc(cc1)[N+](=O)[O-] 34a_100000744123_100000754431 [0,2,0,0,0,0|2,0,0]=4 5565 B16R1.1402 C=CCCOCCc1ccc(cc1)[N+](=O)[O-] 34a_100000704122_100000754431 [0,2,0,0,0,0|1,0,1]=4 5566 B16R1.1402 C=CCCOCCc1ccc(cc1)[N+](=O)[O-] 34a_100011205117_100000736421 [0,2,0,0,0,0|1,0,1]=4 5567 B16R1.1402 C=CCCOCCc1ccc(cc1)[N+](=O)[O-] 7a_100000704122_100000754431 [0,2,0,0,0,0|1,0,1]=4 5568 B16R1.1402 C=CCCSCCc1ccc(cc1)[N+](=O)[O-] 62a_100000754431_100000736421 [0,2,0,0,0,0|2,0,0]=4 5569 B16R1.1402 C=CCNCCCc1ccc(cc1)[N+](=O)[O-] 2230a_100020586998_100010167727 [0,2,0,0,0,0|2,0,0]=4 5570 B16R1.1402 C=CCNCCOc1ccc(cc1)[N+](=O)[O-] 2230a_100000754164_100000210623 [0,2,0,0,0,0|1,0,0]=3 5571 B16R1.1402 C=CCNCCOc1ccc(cc1)[N+](=O)[O-] 2230a_100020586998_100000742347 [0,2,0,0,0,0|1,0,0]=3 5572 B16R1.1402 C=CCNCCOc1ccc(cc1)[N+](=O)[O-] 34a_100000754164_100015514636 [0,2,0,0,0,0|1,0,0]=3 5573 B16R1.1402 C=CCOCCCc1ccc(cc1)[N+](=O)[O-] 34a_100000090596_100015514636 [0,2,0,0,0,0|2,0,0]=4 5574 B16R1.1402 C=CCOCCCc1ccc(cc1)[N+](=O)[O-] 34a_200000210373_100010167727 [0,2,0,0,0,0|2,0,0]=4 5575 B16R1.1402 C=CCOCCCc1ccc(cc1)[N+](=O)[O-] 7a_100000090596_100015514636 [0,2,0,0,0,0|2,0,0]=4 5576 B16R1.1402 C=CCOCCOc1ccc(cc1)[N+](=O)[O-] 34a_100000193241_100015514636 [0,2,0,0,0,0|1,0,0]=3 5577 B16R1.1402 C=CCOCCOc1ccc(cc1)[N+](=O)[O-] 34a_200000210373_100000742347 [0,2,0,0,0,0|1,0,0]=3 5578 B16R1.1402 C=CCOCCOc1ccc(cc1)[N+](=O)[O-] 7a_100000193241_100015514636 [0,2,0,0,0,0|1,0,0]=3 5579 B16R1.1402 C=CCOCCOc1ccc(cn1)[N+](=O)[O-] 34a_100000040108_100015514636 [0,2,0,0,0,0|2,0,0]=4 5580 B16R1.1402 C=CCOCCSc1ccc(cc1)[N+](=O)[O-] 7a_100000156324_100015514636 [0,2,0,0,0,0|1,1,0]=4 5581 B16R1.1402 C=CCSCCCc1ccc(cc1)[N+](=O)[O-] 62a_100000210623_100010167727 [0,2,0,0,0,0|2,0,0]=4 5582 B16R1.1402 C=CCSCCOc1ccc(cc1)[N+](=O)[O-] 62a_100000210623_100000742347 [0,2,0,0,0,0|1,0,0]=3 5583 B16R1.1402 C=COCCNCc1ccc(cc1)[N+](=O)[O-] 2230a_100000742766_100000039644 [0,2,0,0,0,0|2,0,0]=4 5584 B16R1.1402 C=COCCNCc1ccc(cc1)[N+](=O)[O-] 34a_100000742766_100000039644 [0,2,0,0,0,0|2,0,0]=4 5585 B16R1.1402 C=COCCOCc1ccc(cc1)[N+](=O)[O-] 34a_100000033082_100000181861 [0,2,0,0,0,0|1,0,1]=4 5586 B16R1.1402 C=COCCOCc1ccc(cc1)[N+](=O)[O-] 34a_100000211695_100000039644 [0,2,0,0,0,0|1,0,1]=4 5587 B16R1.1402 C=COCCSCc1ccc(cc1)[N+](=O)[O-] 62a_100000039644_100000184243 [0,2,0,0,0,0|2,0,0]=4 5588 B16R1.1402 CC#CCCOCc1ccc(cc1)[N+](=O)[O-] 34a_100000750427_100000181861 [0,2,0,0,0,0|1,0,1]=4 5589 B16R1.1402 CC(=O)c1ccc(cc1)COCCCCO 7a_100000082505_100000210776 [0,2,0,0,0,0|2,0,0]=4 5590 B16R1.1402 CC(=O)c1ccc(cc1)OCCCCCO 34a_100000185113_100000746330 [0,2,0,0,0,0|2,0,0]=4 5591 B16R1.1402 CC(=O)c1ccc(cc1)OCCCCCO 7a_100000185113_100000746330 [0,2,0,0,0,0|2,0,0]=4 5592 B16R1.1402 CC(=O)c1ccc(cc1)OCCOCCO 34a_100000185113_100000692535 [0,2,0,0,0,0|2,0,0]=4 5593 B16R1.1402 CC(=O)c1ccc(cc1)OCCOCCO 7a_100000185113_100011215305 [0,2,0,0,0,0|2,0,0]=4 5594 B16R1.1402 CC/C=C\CCNc1ccc(cc1)[N+](=O)[O-] 2230a_100015195142_100015370543 [0,2,0,0,0,0|2,0,0]=4 5595 B16R1.1402 CC/C=C\CCNc1ccc(cc1)[N+](=O)[O-] 34a_100015195142_100015370543 [0,2,0,0,0,0|2,0,0]=4 5596 B16R1.1402 CC/C=C\CCOc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_100015370543 [0,2,0,0,0,0|1,0,0]=3 5597 B16R1.1402 CC/C=C\CCOc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_100015370543 [0,2,0,0,0,0|1,0,0]=3 5598 B16R1.1402 CC/C=C\CCOc1ccc(nc1)[N+](=O)[O-] 7a_100000060138_100015370543 [0,2,0,0,0,0|2,0,0]=4 5599 B16R1.1402 CC/C=C\COCc1ccc(cc1)[N+](=O)[O-] 34a_100000211695_100103147603 [0,2,0,0,0,0|1,0,1]=4 5600 B16R1.1402 CC/C=C\COCc1ccc(cc1)[N+](=O)[O-] 34a_100016268518_100000181861 [0,2,0,0,0,0|1,0,1]=4 5601 B16R1.1402 CCC#CCOCc1ccc(cc1)[N+](=O)[O-] 34a_100000032950_100000181861 [0,2,0,0,0,0|1,0,1]=4 5602 B16R1.1402 CCC#CCOCc1ccc(cc1)[N+](=O)[O-] 34a_100000211695_100009813939 [0,2,0,0,0,0|1,0,1]=4 5603 B16R1.1402 CCCCC=NNc1ccc(cc1)[N+](=O)[O-] 4a_100000006255_100000210104 [0,2,0,0,0,0|2,0,0]=4 5604 B16R1.1402 CCCCCCNc1ccc(cc1)[N+](=O)[O-] 2230a_100015195142_100000210314 [0,2,0,0,0,0|2,0,0]=4 5605 B16R1.1402 CCCCCCNc1ccc(cc1)[N+](=O)[O-] 34a_100015195142_100000210314 [0,2,0,0,0,0|2,0,0]=4 5606 B16R1.1402 CCCCCCOc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_100000210314 [0,2,0,0,0,0|1,0,0]=3 5607 B16R1.1402 CCCCCCOc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_100000210314 [0,2,0,0,0,0|1,0,0]=3 5608 B16R1.1402 CCCCCCOc1ccc(nc1)[N+](=O)[O-] 7a_100000060138_100000210314 [0,2,0,0,0,0|2,0,0]=4 5609 B16R1.1402 CCCCCNCc1ccc(cc1)[N+](=O)[O-] 207a_100000209983_100000189386 [0,2,0,0,0,0|2,0,0]=4 5610 B16R1.1402 CCCCCNCc1ccc(cc1)[N+](=O)[O-] 2230a_100000209983_100000181861 [0,2,0,0,0,0|2,0,0]=4 5611 B16R1.1402 CCCCCNCc1ccc(cc1)[N+](=O)[O-] 2230a_100000742766_100000210326 [0,2,0,0,0,0|2,0,0]=4 5612 B16R1.1402 CCCCCNCc1ccc(cc1)[N+](=O)[O-] 270004a_100000209983_100000189386 [0,2,0,0,0,0|2,0,0]=4 5613 B16R1.1402 CCCCCNCc1ccc(cc1)[N+](=O)[O-] 34a_100000742766_100000718602 [0,2,0,0,0,0|2,0,0]=4 5614 B16R1.1402 CCCCCOCc1ccc(cc1)[N+](=O)[O-] 34a_100000210253_100000181861 [0,2,0,0,0,0|1,0,0]=3 5615 B16R1.1402 CCCCCOCc1ccc(cc1)[N+](=O)[O-] 34a_100000211695_100000718602 [0,2,0,0,0,0|1,0,0]=3 5616 B16R1.1402 CCCCCOCc1ccc(cc1)[N+](=O)[O-] 7a_100000210253_100000181861 [0,2,0,0,0,0|1,0,0]=3 5617 B16R1.1402 CCCCCSCc1ccc(cc1)[N+](=O)[O-] 62a_100000210326_100000184243 [0,2,0,0,0,0|1,1,0]=4 5618 B16R1.1402 CCCCNCCc1ccc(cc1)[N+](=O)[O-] 2230a_100000102301_100000736421 [0,2,0,0,0,0|2,0,0]=4 5619 B16R1.1402 CCCCNCCc1ccc(cc1)[N+](=O)[O-] 2230a_100000744123_100000210211 [0,2,0,0,0,0|2,0,0]=4 5620 B16R1.1402 CCCCNCCc1ccc(cc1)[N+](=O)[O-] 34a_100000744123_100000210210 [0,2,0,0,0,0|2,0,0]=4 5621 B16R1.1402 CCCCNCCc1ccc(cc1)[N+](=O)[O-] 7a_106832991798_100000736421 [0,2,0,0,0,0|2,0,0]=4 5622 B16R1.1402 CCCCNN=Cc1ccc(cc1)[N+](=O)[O-] 4a_100025702795_100000189386 [0,2,0,0,0,0|2,0,0]=4 5623 B16R1.1402 CCCCOCCc1ccc(cc1)[N+](=O)[O-] 34a_100000210227_100000736421 [0,2,0,0,0,0|1,0,0]=3 5624 B16R1.1402 CCCCOCCc1ccc(cc1)[N+](=O)[O-] 34a_100000704122_100000210210 [0,2,0,0,0,0|1,0,0]=3 5625 B16R1.1402 CCCCOCCc1ccc(cc1)[N+](=O)[O-] 7a_100000210227_100000736421 [0,2,0,0,0,0|1,0,0]=3 5626 B16R1.1402 CCCCOCCc1ccc(cc1)[N+](=O)[O-] 7a_100000704122_100000210211 [0,2,0,0,0,0|1,0,0]=3 5627 B16R1.1402 CCCCOCNc1ccc(cc1)[N+](=O)[O-] 2230a_100015195142_100011995733 [0,2,0,0,0,0|1,0,0]=3 5628 B16R1.1402 CCCCOCNc1ccc(cc1)[N+](=O)[O-] 34a_100015195142_100011995733 [0,2,0,0,0,0|1,0,0]=3 5629 B16R1.1402 CCCCOCOc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_100011995733 [0,2,0,0,0,0|1,0,0]=3 5630 B16R1.1402 CCCCSCCc1ccc(cc1)[N+](=O)[O-] 62a_100000210211_100000736421 [0,2,0,0,0,0|1,1,0]=4 5631 B16R1.1402 CCCNCCOc1ccc(cc1)[N+](=O)[O-] 2230a_100000754164_100000210303 [0,2,0,0,0,0|1,0,0]=3 5632 B16R1.1402 CCCNCCOc1ccc(cc1)[N+](=O)[O-] 34a_100000754164_100000210303 [0,2,0,0,0,0|1,0,0]=3 5633 B16R1.1402 CCCOC/C=C\c1ccc(cc1)[N+](=O)[O-] 34a_100016273823_100000210303 [0,2,0,0,0,0|2,0,0]=4 5634 B16R1.1402 CCCOCC#Cc1ccc(cc1)[N+](=O)[O-] 34a_100000038321_100000210303 [0,2,0,0,0,0|2,0,0]=4 5635 B16R1.1402 CCCOCC#Cc1ccc(cc1)[N+](=O)[O-] 7a_100000038321_100000210303 [0,2,0,0,0,0|2,0,0]=4 5636 B16R1.1402 CCCOCCCc1ccc(cc1)[N+](=O)[O-] 34a_100000090596_100000210303 [0,2,0,0,0,0|2,0,0]=4 5637 B16R1.1402 CCCOCCCc1ccc(cc1)[N+](=O)[O-] 34a_100000210258_100010167727 [0,2,0,0,0,0|2,0,0]=4 5638 B16R1.1402 CCCOCCCc1ccc(cc1)[N+](=O)[O-] 7a_100000090596_100000210303 [0,2,0,0,0,0|2,0,0]=4 5639 B16R1.1402 CCCOCCNc1ccc(cc1)[N+](=O)[O-] 2230a_100015195142_100011215938 [0,2,0,0,0,0|2,0,0]=4 5640 B16R1.1402 CCCOCCNc1ccc(cc1)[N+](=O)[O-] 34a_100015195142_100011215938 [0,2,0,0,0,0|2,0,0]=4 5641 B16R1.1402 CCCOCCOc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_100011215938 [0,2,0,0,0,0|1,0,0]=3 5642 B16R1.1402 CCCOCCOc1ccc(cc1)[N+](=O)[O-] 34a_100000193241_100000210303 [0,2,0,0,0,0|1,0,0]=3 5643 B16R1.1402 CCCOCCOc1ccc(cc1)[N+](=O)[O-] 34a_100000210258_100000742347 [0,2,0,0,0,0|1,0,0]=3 5644 B16R1.1402 CCCOCCOc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_100011215938 [0,2,0,0,0,0|1,0,0]=3 5645 B16R1.1402 CCCOCCOc1ccc(cc1)[N+](=O)[O-] 7a_100000193241_100000210303 [0,2,0,0,0,0|1,0,0]=3 5646 B16R1.1402 CCCOCCOc1ccc(cn1)[N+](=O)[O-] 34a_100000040108_100000210303 [0,2,0,0,0,0|2,0,0]=4 5647 B16R1.1402 CCCOCCOc1ccc(nc1)[N+](=O)[O-] 7a_100000060138_100011215938 [0,2,0,0,0,0|2,0,0]=4 5648 B16R1.1402 CCCOCCSc1ccc(cc1)[N+](=O)[O-] 7a_100000156324_100000210303 [0,2,0,0,0,0|1,1,0]=4 5649 B16R1.1402 CCCSCCCc1ccc(cc1)[N+](=O)[O-] 62a_100000210303_100010167727 [0,2,0,0,0,0|2,0,0]=4 5650 B16R1.1402 CCCSCCOc1ccc(cc1)[N+](=O)[O-] 62a_100000210303_100000742347 [0,2,0,0,0,0|1,0,0]=3 5651 B16R1.1402 CCNCCCOc1ccc(cc1)[N+](=O)[O-] 2230a_100015525214_100000743267 [0,2,0,0,0,0|1,0,0]=3 5652 B16R1.1402 CCOCCCCc1ccc(cc1)[N+](=O)[O-] 34a_200000039267_100000210202 [0,2,0,0,0,0|1,0,0]=3 5653 B16R1.1402 CCOCCCCc1ccc(cc1)[N+](=O)[O-] 7a_200000039267_100000210202 [0,2,0,0,0,0|1,0,0]=3 5654 B16R1.1402 CCOCCCNc1ccc(cc1)[N+](=O)[O-] 2230a_100015195142_100012232248 [0,2,0,0,0,0|1,0,0]=3 5655 B16R1.1402 CCOCCCNc1ccc(cc1)[N+](=O)[O-] 34a_100015195142_100012232248 [0,2,0,0,0,0|1,0,0]=3 5656 B16R1.1402 CCOCCCNc1ccc(cc1)[N+](=O)[O-] 34a_200000156464_100000210202 [0,2,0,0,0,0|1,0,0]=3 5657 B16R1.1402 CCOCCCOc1ccc(cc1)C(=O)C 34a_100000185113_100012232248 [0,2,0,0,0,0|2,0,0]=4 5658 B16R1.1402 CCOCCCOc1ccc(cc1)C(=O)C 7a_100000185113_100012232248 [0,2,0,0,0,0|2,0,0]=4 5659 B16R1.1402 CCOCCCOc1ccc(cc1)C(=O)N 34a_100000746352_100012232248 [0,2,0,0,0,0|2,0,0]=4 5660 B16R1.1402 CCOCCCOc1ccc(cc1)C(=O)N 7a_100000746352_100012232248 [0,2,0,0,0,0|2,0,0]=4 5661 B16R1.1402 CCOCCCOc1ccc(cc1)S(=O)C 34a_200000064373_100012232248 [0,2,0,0,0,0|2,0,0]=4 5662 B16R1.1402 CCOCCCOc1ccc(cc1)S(=O)C 7a_200000064373_100012232248 [0,2,0,0,0,0|2,0,0]=4 5663 B16R1.1402 CCOCCCOc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_100012232248 [0,2,0,0,0,0|0,0,0]=2 5664 B16R1.1402 CCOCCCOc1ccc(cc1)[N+](=O)[O-] 34a_100121572206_100000743267 [0,2,0,0,0,0|0,0,0]=2 5665 B16R1.1402 CCOCCCOc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_100012232248 [0,2,0,0,0,0|0,0,0]=2 5666 B16R1.1402 CCOCCCOc1ccc(nc1)[N+](=O)[O-] 7a_100000060138_100012232248 [0,2,0,0,0,0|1,0,0]=3 5667 B16R1.1402 CCOCCNCc1ccc(cc1)[N+](=O)[O-] 207a_100011200944_100000189386 [0,2,0,0,0,0|2,0,0]=4 5668 B16R1.1402 CCOCCNCc1ccc(cc1)[N+](=O)[O-] 2230a_100000742766_100011215890 [0,2,0,0,0,0|2,0,0]=4 5669 B16R1.1402 CCOCCNCc1ccc(cc1)[N+](=O)[O-] 2230a_102516460346_100000181861 [0,2,0,0,0,0|2,0,0]=4 5670 B16R1.1402 CCOCCNCc1ccc(cc1)[N+](=O)[O-] 270004a_102516460346_100000189386 [0,2,0,0,0,0|2,0,0]=4 5671 B16R1.1402 CCOCCNCc1ccc(cc1)[N+](=O)[O-] 34a_100000742766_100000210147 [0,2,0,0,0,0|2,0,0]=4 5672 B16R1.1402 CCOCCNCc1ccc(cc1)[N+](=O)[O-] 34a_102516460346_100000181861 [0,2,0,0,0,0|2,0,0]=4 5673 B16R1.1402 CCOCCOCc1ccc(cc1)[N+](=O)[O-] 34a_100000210136_100000181861 [0,2,0,0,0,0|1,0,0]=3 5674 B16R1.1402 CCOCCOCc1ccc(cc1)[N+](=O)[O-] 34a_100000211695_100000210147 [0,2,0,0,0,0|1,0,0]=3 5675 B16R1.1402 CCOCCOCc1ccc(cc1)[N+](=O)[O-] 7a_100000210136_100000181861 [0,2,0,0,0,0|1,0,0]=3 5676 B16R1.1402 CCOCCSCc1ccc(cc1)[N+](=O)[O-] 62a_100000210147_100000184243 [0,2,0,0,0,0|1,1,0]=4 5677 B16R1.1402 CCOCSCCc1ccc(cc1)[N+](=O)[O-] 62a_100000739092_100000736421 [0,2,0,0,0,0|2,0,0]=4 5678 B16R1.1402 CCSCCCOc1ccc(cc1)[N+](=O)[O-] 62a_100000210202_100000743267 [0,2,0,0,0,0|0,1,0]=3 5679 B16R1.1402 CCSCCCOc1ccc(cc1)[N+](=O)[O-] 62a_100000743267_100000210202 [0,2,0,0,0,0|0,1,0]=3 5680 B16R1.1402 CCSCCNCc1ccc(cc1)[N+](=O)[O-] 207a_100000106463_100000189386 [0,2,0,0,0,0|2,0,0]=4 5681 B16R1.1402 CCSCCNCc1ccc(cc1)[N+](=O)[O-] 2230a_100000106463_100000181861 [0,2,0,0,0,0|2,0,0]=4 5682 B16R1.1402 CCSCCNCc1ccc(cc1)[N+](=O)[O-] 2230a_100000742766_100000757381 [0,2,0,0,0,0|2,0,0]=4 5683 B16R1.1402 CCSCCNCc1ccc(cc1)[N+](=O)[O-] 270004a_100000106463_100000189386 [0,2,0,0,0,0|2,0,0]=4 5684 B16R1.1402 CCSCCNCc1ccc(cc1)[N+](=O)[O-] 34a_100000742766_100000757381 [0,2,0,0,0,0|2,0,0]=4 5685 B16R1.1402 CCSCCOCc1ccc(cc1)[N+](=O)[O-] 34a_100000211695_100000757381 [0,2,0,0,0,0|1,0,0]=3 5686 B16R1.1402 CCSCCOCc1ccc(cc1)[N+](=O)[O-] 34a_100000212035_100000181861 [0,2,0,0,0,0|1,0,0]=3 5687 B16R1.1402 CCSCCOCc1ccc(cc1)[N+](=O)[O-] 7a_100000212035_100000181861 [0,2,0,0,0,0|1,0,0]=3 5688 B16R1.1402 CCSCCSCc1ccc(cc1)[N+](=O)[O-] 62a_100000757381_100000184243 [0,2,0,0,0,0|1,1,0]=4 5689 B16R1.1402 CNCCCOCc1ccc(cc1)[N+](=O)[O-] 34a_100000213112_100000181861 [0,2,0,0,0,0|1,0,0]=3 5690 B16R1.1402 COCCCCNc1ccc(cc1)[N+](=O)[O-] 2230a_100015195142_100000730899 [0,2,0,0,0,0|1,0,0]=3 5691 B16R1.1402 COCCCCNc1ccc(cc1)[N+](=O)[O-] 34a_100015195142_100000755781 [0,2,0,0,0,0|1,0,0]=3 5692 B16R1.1402 COCCCCOc1ccc(cc1)C(=O)C 34a_100000185113_100000755781 [0,2,0,0,0,0|2,0,0]=4 5693 B16R1.1402 COCCCCOc1ccc(cc1)C(=O)C 7a_100000185113_100000730899 [0,2,0,0,0,0|2,0,0]=4 5694 B16R1.1402 COCCCCOc1ccc(cc1)C(=O)N 34a_100000746352_100000755781 [0,2,0,0,0,0|2,0,0]=4 5695 B16R1.1402 COCCCCOc1ccc(cc1)C(=O)N 7a_100000746352_100000730899 [0,2,0,0,0,0|2,0,0]=4 5696 B16R1.1402 COCCCCOc1ccc(cc1)S(=O)C 34a_200000064373_100000755781 [0,2,0,0,0,0|2,0,0]=4 5697 B16R1.1402 COCCCCOc1ccc(cc1)S(=O)C 7a_200000064373_100000730899 [0,2,0,0,0,0|2,0,0]=4 5698 B16R1.1402 COCCCCOc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_100000755781 [0,2,0,0,0,0|0,0,0]=2 5699 B16R1.1402 COCCCCOc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_100000730899 [0,2,0,0,0,0|0,0,0]=2 5700 B16R1.1402 COCCCCOc1ccc(nc1)[N+](=O)[O-] 7a_100000060138_100000730899 [0,2,0,0,0,0|1,0,0]=3 5701 B16R1.1402 COCCCNCc1ccc(cc1)[N+](=O)[O-] 207a_100150723488_100000189386 [0,2,0,0,0,0|1,0,0]=3 5702 B16R1.1402 COCCCNCc1ccc(cc1)[N+](=O)[O-] 2230a_100000742766_100000740836 [0,2,0,0,0,0|1,0,0]=3 5703 B16R1.1402 COCCCNCc1ccc(cc1)[N+](=O)[O-] 270004a_100150723488_100000189386 [0,2,0,0,0,0|1,0,0]=3 5704 B16R1.1402 COCCCNCc1ccc(cc1)[N+](=O)[O-] 34a_100000742766_100000740836 [0,2,0,0,0,0|1,0,0]=3 5705 B16R1.1402 COCCCNCc1ccc(cc1)[N+](=O)[O-] 34a_100150723488_100000181861 [0,2,0,0,0,0|1,0,0]=3 5706 B16R1.1402 COCCCOCc1ccc(cc1)C(=O)C 34a_100000740835_100000756337 [0,2,0,0,0,0|2,0,0]=4 5707 B16R1.1402 COCCCOCc1ccc(cc1)C(=O)C 7a_100000082505_100000740836 [0,2,0,0,0,0|2,0,0]=4 5708 B16R1.1402 COCCCOCc1ccc(cc1)C(=O)N 34a_100000162016_100000740836 [0,2,0,0,0,0|2,0,0]=4 5709 B16R1.1402 COCCCOCc1ccc(cc1)C(=O)N 34a_100000740835_100000231043 [0,2,0,0,0,0|2,0,0]=4 5710 B16R1.1402 COCCCOCc1ccc(cc1)C(=O)N 7a_100000162016_100000740836 [0,2,0,0,0,0|2,0,0]=4 5711 B16R1.1402 COCCCOCc1ccc(cc1)[N+](=O)[O-] 34a_100000211695_100000740836 [0,2,0,0,0,0|0,0,0]=2 5712 B16R1.1402 COCCCOCc1ccc(cc1)[N+](=O)[O-] 34a_100000740835_100000181861 [0,2,0,0,0,0|0,0,0]=2 5713 B16R1.1402 COCCCSCc1ccc(cc1)[N+](=O)[O-] 62a_100000709357_100000184243 [0,2,0,0,0,0|0,1,0]=3 5714 B16R1.1402 COCCNCCc1ccc(cc1)[N+](=O)[O-] 2230a_100000209980_100000736421 [0,2,0,0,0,0|1,0,0]=3 5715 B16R1.1402 COCCNCCc1ccc(cc1)[N+](=O)[O-] 2230a_100000744123_100011201679 [0,2,0,0,0,0|1,0,0]=3 5716 B16R1.1402 COCCNCCc1ccc(cc1)[N+](=O)[O-] 34a_100000744123_100011201679 [0,2,0,0,0,0|1,0,0]=3 5717 B16R1.1402 COCCOCCc1ccc(cc1)[N+](=O)[O-] 34a_100000210237_100000736421 [0,2,0,0,0,0|1,0,0]=3 5718 B16R1.1402 COCCOCCc1ccc(cc1)[N+](=O)[O-] 34a_100000704122_100011201679 [0,2,0,0,0,0|1,0,0]=3 5719 B16R1.1402 COCCOCCc1ccc(cc1)[N+](=O)[O-] 7a_100000704122_100000233755 [0,2,0,0,0,0|1,0,0]=3 5720 B16R1.1402 COCCOCNc1ccc(cc1)[N+](=O)[O-] 2230a_100015195142_100000231047 [0,2,0,0,0,0|1,0,0]=3 5721 B16R1.1402 COCCSCCc1ccc(cc1)[N+](=O)[O-] 62a_100000233755_100000736421 [0,2,0,0,0,0|1,0,0]=3 5722 B16R1.1402 COCNCCOc1ccc(cc1)C(=O)O 269956a_100015187144_100000766300 [0,2,0,0,0,0|1,0,1]=4 5723 B16R1.1402 COCNCCOc1ccc(cc1)[N+](=O)[O-] 2230a_100000754164_100000766300 [0,2,0,0,0,0|0,0,0]=2 5724 B16R1.1402 COCSCCCc1ccc(cc1)[N+](=O)[O-] 62a_100000766300_100010167727 [0,2,0,0,0,0|1,0,0]=3 5725 B16R1.1402 COCSCCOc1ccc(cc1)[N+](=O)[O-] 62a_100000766300_100000742347 [0,2,0,0,0,0|0,0,0]=2 5726 B16R1.1402 CS(=O)c1ccc(cc1)OCCCCCO 34a_200000064373_100000746330 [0,2,0,0,0,0|2,0,0]=4 5727 B16R1.1402 CS(=O)c1ccc(cc1)OCCCCCO 7a_200000064373_100000746330 [0,2,0,0,0,0|2,0,0]=4 5728 B16R1.1402 CS(=O)c1ccc(cc1)OCCOCCO 34a_200000064373_100000692535 [0,2,0,0,0,0|2,0,0]=4 5729 B16R1.1402 CS(=O)c1ccc(cc1)OCCOCCO 7a_200000064373_100011215305 [0,2,0,0,0,0|2,0,0]=4 5730 B16R1.1402 CSCCCNCc1ccc(cc1)[N+](=O)[O-] 207a_100000749238_100000189386 [0,2,0,0,0,0|1,1,0]=4 5731 B16R1.1402 CSCCCNCc1ccc(cc1)[N+](=O)[O-] 2230a_100000749238_100000181861 [0,2,0,0,0,0|1,1,0]=4 5732 B16R1.1402 CSCCCNCc1ccc(cc1)[N+](=O)[O-] 270004a_100000749238_100000189386 [0,2,0,0,0,0|1,1,0]=4 5733 B16R1.1402 CSCCCOCc1ccc(cc1)[N+](=O)[O-] 34a_100000690336_100000181861 [0,2,0,0,0,0|0,1,0]=3 5734 B16R1.1402 CSCCCOCc1ccc(cc1)[N+](=O)[O-] 7a_100000690336_100000181861 [0,2,0,0,0,0|0,1,0]=3 5735 B16R1.1402 CSCCNCCc1ccc(cc1)[N+](=O)[O-] 2230a_100000744123_100000751147 [0,2,0,0,0,0|1,1,0]=4 5736 B16R1.1402 CSCCNCCc1ccc(cc1)[N+](=O)[O-] 2230a_100020590264_100000736421 [0,2,0,0,0,0|1,1,0]=4 5737 B16R1.1402 CSCCNCCc1ccc(cc1)[N+](=O)[O-] 34a_100000744123_100000212216 [0,2,0,0,0,0|1,1,0]=4 5738 B16R1.1402 CSCCOCCc1ccc(cc1)[N+](=O)[O-] 34a_100000230434_100000736421 [0,2,0,0,0,0|1,1,0]=4 5739 B16R1.1402 CSCCOCCc1ccc(cc1)[N+](=O)[O-] 34a_100000704122_100000212216 [0,2,0,0,0,0|1,1,0]=4 5740 B16R1.1402 CSCCOCCc1ccc(cc1)[N+](=O)[O-] 7a_100000230434_100000736421 [0,2,0,0,0,0|1,1,0]=4 5741 B16R1.1402 CSCCOCCc1ccc(cc1)[N+](=O)[O-] 7a_100000704122_100000212216 [0,2,0,0,0,0|1,1,0]=4 5742 B16R1.1402 CSCCSCCc1ccc(cc1)[N+](=O)[O-] 62a_100000212216_100000736421 [0,2,0,0,0,0|1,1,0]=4 5743 B16R1.1402 CSCNCCOc1ccc(cc1)[N+](=O)[O-] 2230a_100000754164_100011218213 [0,2,0,0,0,0|0,1,0]=3 5744 B16R1.1402 CSCNCCOc1ccc(cc1)[N+](=O)[O-] 34a_100000754164_100011218213 [0,2,0,0,0,0|0,1,0]=3 5745 B16R1.1402 CSCOCCCc1ccc(cc1)[N+](=O)[O-] 34a_100000090596_100011218213 [0,2,0,0,0,0|1,1,0]=4 5746 B16R1.1402 CSCOCCOc1ccc(cc1)[N+](=O)[O-] 34a_100000193241_100011218213 [0,2,0,0,0,0|0,1,0]=3 5747 B16R1.1402 CSCOCCOc1ccc(cn1)[N+](=O)[O-] 34a_100000040108_100011218213 [0,2,0,0,0,0|1,1,0]=4 5748 B16R1.1402 CSCSCCCc1ccc(cc1)[N+](=O)[O-] 62a_100011218213_100010167727 [0,2,0,0,0,0|1,1,0]=4 5749 B16R1.1402 CSCSCCOc1ccc(cc1)[N+](=O)[O-] 62a_100011218213_100000742347 [0,2,0,0,0,0|0,1,0]=3 5750 B16R1.1402 N#CCCCCNc1ccc(cc1)[N+](=O)[O-] 2230a_100015195142_100000211819 [0,2,0,0,0,0|2,0,0]=4 5751 B16R1.1402 N#CCCCCOc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_100000211819 [0,2,0,0,0,0|1,0,0]=3 5752 B16R1.1402 N#CCCCCOc1ccc(nc1)[N+](=O)[O-] 7a_100000060138_100000211819 [0,2,0,0,0,0|2,0,0]=4 5753 B16R1.1402 N#CCCCNCc1ccc(cc1)[N+](=O)[O-] 2230a_100000742766_100000687738 [0,2,0,0,0,0|2,0,0]=4 5754 B16R1.1402 N#CCCCSCc1ccc(cc1)[N+](=O)[O-] 62a_100000687738_100000184243 [0,2,0,0,0,0|1,1,0]=4 5755 B16R1.1402 N#CCCNCCc1ccc(cc1)[N+](=O)[O-] 2230a_100000744123_100011215226 [0,2,0,0,0,0|2,0,0]=4 5756 B16R1.1402 N#CCCOCCc1ccc(cc1)[N+](=O)[O-] 7a_100000704122_100000184422 [0,2,0,0,0,0|1,0,1]=4 5757 B16R1.1402 N#CCCSCCc1ccc(cc1)[N+](=O)[O-] 62a_100011215226_100000736421 [0,2,0,0,0,0|2,0,0]=4 5758 B16R1.1402 N#CCNCCOc1ccc(cc1)[N+](=O)[O-] 2230a_100000754164_100011215382 [0,2,0,0,0,0|1,0,0]=3 5759 B16R1.1402 N#CCOCCCc1ccc(cc1)[N+](=O)[O-] 7a_100000090596_100011215382 [0,2,0,0,0,0|2,0,0]=4 5760 B16R1.1402 N#CCOCCNc1ccc(cc1)[N+](=O)[O-] 2230a_100015195142_200000047693 [0,2,0,0,0,0|2,0,0]=4 5761 B16R1.1402 N#CCOCCOc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_200000047693 [0,2,0,0,0,0|1,0,0]=3 5762 B16R1.1402 N#CCOCCOc1ccc(cc1)[N+](=O)[O-] 7a_100000193241_100011215382 [0,2,0,0,0,0|1,0,0]=3 5763 B16R1.1402 N#CCOCCOc1ccc(nc1)[N+](=O)[O-] 7a_100000060138_200000047693 [0,2,0,0,0,0|2,0,0]=4 5764 B16R1.1402 N#CCOCCSc1ccc(cc1)[N+](=O)[O-] 7a_100000156324_100011215382 [0,2,0,0,0,0|1,1,0]=4 5765 B16R1.1402 N#CCSCCCc1ccc(cc1)[N+](=O)[O-] 62a_100011215382_100010167727 [0,2,0,0,0,0|2,0,0]=4 5766 B16R1.1402 N#CCSCCOc1ccc(cc1)[N+](=O)[O-] 62a_100011215382_100000742347 [0,2,0,0,0,0|1,0,0]=3 5767 B16R1.1402 NC(=O)c1ccc(cc1)COCCCCO 34a_100000162016_100011216708 [0,2,0,0,0,0|2,0,0]=4 5768 B16R1.1402 NC(=O)c1ccc(cc1)COCCCCO 7a_100000162016_100000210776 [0,2,0,0,0,0|2,0,0]=4 5769 B16R1.1402 NC(=O)c1ccc(cc1)OCCCCCO 34a_100000746352_100000746330 [0,2,0,0,0,0|2,0,0]=4 5770 B16R1.1402 NC(=O)c1ccc(cc1)OCCCCCO 7a_100000746352_100000746330 [0,2,0,0,0,0|2,0,0]=4 5771 B16R1.1402 NC(=O)c1ccc(cc1)OCCOCCO 34a_100000746352_100000692535 [0,2,0,0,0,0|2,0,0]=4 5772 B16R1.1402 NC(=O)c1ccc(cc1)OCCOCCO 7a_100000746352_100011215305 [0,2,0,0,0,0|2,0,0]=4 5773 B16R1.1402 NCCCCOCc1ccc(cc1)[N+](=O)[O-] 34a_100000750430_100000181861 [0,2,0,0,0,0|1,0,0]=3 5774 B16R1.1402 NCCCOCCc1ccc(cc1)[N+](=O)[O-] 34a_100000182051_100000736421 [0,2,0,0,0,0|1,0,0]=3 5775 B16R1.1402 NCCOCCCc1ccc(cc1)[N+](=O)[O-] 34a_100000210304_100010167727 [0,2,0,0,0,0|2,0,0]=4 5776 B16R1.1402 NCCOCCOc1ccc(cc1)[N+](=O)[O-] 34a_100000210304_100000742347 [0,2,0,0,0,0|1,0,0]=3 5777 B16R1.1402 NOCCOCCc1ccc(cc1)[N+](=O)[O-] 34a_100000700252_100000736421 [0,2,0,0,0,0|1,0,0]=3 5778 B16R1.1402 O=C(O)c1ccc(cc1)OCCNCCO 269956a_100015187144_100000211926 [0,2,0,0,0,0|1,0,1]=4 5779 B16R1.1402 O=CCCCCNc1ccc(cc1)[N+](=O)[O-] 2230a_100015195142_100000139335 [0,2,0,0,0,0|1,0,1]=4 5780 B16R1.1402 O=CCCCCOc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_100000139335 [0,2,0,0,0,0|0,0,1]=3 5781 B16R1.1402 O=CCCCCOc1ccc(nc1)[N+](=O)[O-] 7a_100000060138_100000139335 [0,2,0,0,0,0|1,0,1]=4 5782 B16R1.1402 O=CCCCNCc1ccc(cc1)[N+](=O)[O-] 2230a_100000742766_200011292268 [0,2,0,0,0,0|1,0,1]=4 5783 B16R1.1402 O=CCCCSCc1ccc(cc1)[N+](=O)[O-] 62a_200011292268_100000184243 [0,2,0,0,0,0|0,1,1]=4 5784 B16R1.1402 O=CCNCCOc1ccc(cc1)[N+](=O)[O-] 2230a_100000754164_200015260668 [0,2,0,0,0,0|0,0,1]=3 5785 B16R1.1402 O=CCNCCOc1ccc(cc1)[N+](=O)[O-] 34a_100000754164_200009817547 [0,2,0,0,0,0|0,0,1]=3 5786 B16R1.1402 O=CCOCCCc1ccc(cc1)[N+](=O)[O-] 34a_100000090596_200009817547 [0,2,0,0,0,0|1,0,1]=4 5787 B16R1.1402 O=CCOCCCc1ccc(cc1)[N+](=O)[O-] 7a_100000090596_200015260668 [0,2,0,0,0,0|1,0,1]=4 5788 B16R1.1402 O=CCOCCOc1ccc(cc1)[N+](=O)[O-] 34a_100000193241_200009817547 [0,2,0,0,0,0|0,0,1]=3 5789 B16R1.1402 O=CCOCCOc1ccc(cc1)[N+](=O)[O-] 7a_100000193241_200015260668 [0,2,0,0,0,0|0,0,1]=3 5790 B16R1.1402 O=CCOCCOc1ccc(cn1)[N+](=O)[O-] 34a_100000040108_200009817547 [0,2,0,0,0,0|1,0,1]=4 5791 B16R1.1402 O=CCOCCSc1ccc(cc1)[N+](=O)[O-] 7a_100000156324_200015260668 [0,2,0,0,0,0|0,1,1]=4 5792 B16R1.1402 O=CCSCCCc1ccc(cc1)[N+](=O)[O-] 62a_200015260668_100010167727 [0,2,0,0,0,0|1,0,1]=4 5793 B16R1.1402 O=CCSCCOc1ccc(cc1)[N+](=O)[O-] 62a_200015260668_100000742347 [0,2,0,0,0,0|0,0,1]=3 5794 B16R1.1402 O=[N+]([O-])c1ccc(cc1)/C=C\COCCF 34a_100016273823_100011217306 [0,2,0,0,0,0|2,0,0]=4 5795 B16R1.1402 O=[N+]([O-])c1ccc(cc1)/C=C\COCCO 34a_100016273823_100000211926 [0,2,0,0,0,0|1,0,0]=3 5796 B16R1.1402 O=[N+]([O-])c1ccc(cc1)C#CCOCCF 34a_100000038321_100011217306 [0,2,0,0,0,0|2,0,0]=4 5797 B16R1.1402 O=[N+]([O-])c1ccc(cc1)C#CCOCCF 7a_100000038321_100011217306 [0,2,0,0,0,0|2,0,0]=4 5798 B16R1.1402 O=[N+]([O-])c1ccc(cc1)C#CCOCCO 34a_100000038321_100000211926 [0,2,0,0,0,0|1,0,0]=3 5799 B16R1.1402 O=[N+]([O-])c1ccc(cc1)C#CCOCCO 7a_100000038321_100000211926 [0,2,0,0,0,0|1,0,0]=3 5800 B16R1.1402 O=[N+]([O-])c1ccc(cc1)CC=NNCCO 4a_100000210001_100000734365 [0,2,0,0,0,0|1,0,1]=4 5801 B16R1.1402 O=[N+]([O-])c1ccc(cc1)CCCCOCF 34a_200000039267_100015361967 [0,2,0,0,0,0|1,0,0]=3 5802 B16R1.1402 O=[N+]([O-])c1ccc(cc1)CCCCOCF 7a_200000039267_100015361967 [0,2,0,0,0,0|1,0,0]=3 5803 B16R1.1402 O=[N+]([O-])c1ccc(cc1)CCCNCCF 34a_100000724931_100010167727 [0,2,0,0,0,0|2,0,0]=4 5804 B16R1.1402 O=[N+]([O-])c1ccc(cc1)CCCNCCO 2230a_100016997473_100010167727 [0,2,0,0,0,0|1,0,0]=3 5805 B16R1.1402 O=[N+]([O-])c1ccc(cc1)CCCNCCO 34a_100016990907_100010167727 [0,2,0,0,0,0|1,0,0]=3 5806 B16R1.1402 O=[N+]([O-])c1ccc(cc1)CCCOCCBr 34a_100000211926_100010167727 [0,2,0,0,0,0|2,0,0]=4 5807 B16R1.1402 O=[N+]([O-])c1ccc(cc1)CCCOCCF 34a_100000090596_100011217306 [0,2,0,0,0,0|2,0,0]=4 5808 B16R1.1402 O=[N+]([O-])c1ccc(cc1)CCCOCCF 7a_100000090596_100011217306 [0,2,0,0,0,0|2,0,0]=4 5809 B16R1.1402 O=[N+]([O-])c1ccc(cc1)CCCOCCO 34a_100000090596_100000211926 [0,2,0,0,0,0|1,0,0]=3 5810 B16R1.1402 O=[N+]([O-])c1ccc(cc1)CCCOCCO 7a_100000090596_100000211926 [0,2,0,0,0,0|1,0,0]=3 5811 B16R1.1402 O=[N+]([O-])c1ccc(cc1)CCCSCCF 62a_100011217306_100010167727 [0,2,0,0,0,0|2,0,0]=4 5812 B16R1.1402 O=[N+]([O-])c1ccc(cc1)CCCSCCO 62a_100000211926_100010167727 [0,2,0,0,0,0|1,0,0]=3 5813 B16R1.1402 O=[N+]([O-])c1ccc(cc1)CCNCCCF 2230a_100000744123_100011934791 [0,2,0,0,0,0|2,0,0]=4 5814 B16R1.1402 O=[N+]([O-])c1ccc(cc1)CCNCCCF 2230a_100015189416_100000736421 [0,2,0,0,0,0|2,0,0]=4 5815 B16R1.1402 O=[N+]([O-])c1ccc(cc1)CCNCCCF 34a_100000744123_100011934791 [0,2,0,0,0,0|2,0,0]=4 5816 B16R1.1402 O=[N+]([O-])c1ccc(cc1)CCNCCCF 34a_100015189416_100000736421 [0,2,0,0,0,0|2,0,0]=4 5817 B16R1.1402 O=[N+]([O-])c1ccc(cc1)CCNCCCO 2230a_100000744123_100000230001 [0,2,0,0,0,0|1,0,0]=3 5818 B16R1.1402 O=[N+]([O-])c1ccc(cc1)CCNCCCO 34a_100000744123_100000230001 [0,2,0,0,0,0|1,0,0]=3 5819 B16R1.1402 O=[N+]([O-])c1ccc(cc1)CCOCCCBr 34a_100011217188_100000736421 [0,2,0,0,0,0|1,0,0]=3 5820 B16R1.1402 O=[N+]([O-])c1ccc(cc1)CCOCCCCl 34a_100000230001_100000736421 [0,2,0,0,0,0|1,0,0]=3 5821 B16R1.1402 O=[N+]([O-])c1ccc(cc1)CCOCCCF 34a_100000704122_100011934791 [0,2,0,0,0,0|1,0,0]=3 5822 B16R1.1402 O=[N+]([O-])c1ccc(cc1)CCOCCCF 34a_100000759539_100000736421 [0,2,0,0,0,0|1,0,0]=3 5823 B16R1.1402 O=[N+]([O-])c1ccc(cc1)CCOCCCF 7a_100000704122_100011934791 [0,2,0,0,0,0|1,0,0]=3 5824 B16R1.1402 O=[N+]([O-])c1ccc(cc1)CCOCCCO 34a_100000704122_100000230001 [0,2,0,0,0,0|0,0,0]=2 5825 B16R1.1402 O=[N+]([O-])c1ccc(cc1)CCOCCCO 7a_100000704122_100011215043 [0,2,0,0,0,0|0,0,0]=2 5826 B16R1.1402 O=[N+]([O-])c1ccc(cc1)CCSCCCF 62a_100011934791_100000736421 [0,2,0,0,0,0|1,1,0]=4 5827 B16R1.1402 O=[N+]([O-])c1ccc(cc1)CCSCCCO 62a_100011215043_100000736421 [0,2,0,0,0,0|0,1,0]=3 5828 B16R1.1402 O=[N+]([O-])c1ccc(cc1)CNCC#CCO 2230a_100000742766_200000047223 [0,2,0,0,0,0|1,0,1]=4 5829 B16R1.1402 O=[N+]([O-])c1ccc(cc1)CNCC#CCO 34a_100000742766_200000047223 [0,2,0,0,0,0|1,0,1]=4 5830 B16R1.1402 O=[N+]([O-])c1ccc(cc1)CNCCCCF 2230a_100000742766_100000729493 [0,2,0,0,0,0|2,0,0]=4 5831 B16R1.1402 O=[N+]([O-])c1ccc(cc1)CNCCCCF 34a_100000742766_100000729493 [0,2,0,0,0,0|2,0,0]=4 5832 B16R1.1402 O=[N+]([O-])c1ccc(cc1)CNCCCCO 207a_100000750430_100000189386 [0,2,0,0,0,0|1,0,0]=3 5833 B16R1.1402 O=[N+]([O-])c1ccc(cc1)CNCCCCO 2230a_100000742766_100000210776 [0,2,0,0,0,0|1,0,0]=3 5834 B16R1.1402 O=[N+]([O-])c1ccc(cc1)CNCCCCO 2230a_100000750430_100000181861 [0,2,0,0,0,0|1,0,0]=3 5835 B16R1.1402 O=[N+]([O-])c1ccc(cc1)CNCCCCO 270004a_100000750430_100000189386 [0,2,0,0,0,0|1,0,0]=3 5836 B16R1.1402 O=[N+]([O-])c1ccc(cc1)CNCCCCO 34a_100000742766_100011216708 [0,2,0,0,0,0|1,0,0]=3 5837 B16R1.1402 O=[N+]([O-])c1ccc(cc1)CNCCCCO 34a_100000750430_100000181861 [0,2,0,0,0,0|1,0,0]=3 5838 B16R1.1402 O=[N+]([O-])c1ccc(cc1)COCC#CCCl 34a_200000047223_100000181861 [0,2,0,0,0,0|1,0,1]=4 5839 B16R1.1402 O=[N+]([O-])c1ccc(cc1)COCC#CCO 34a_100000211695_200000047223 [0,2,0,0,0,0|0,0,1]=3 5840 B16R1.1402 O=[N+]([O-])c1ccc(cc1)COCCCCBr 34a_100011216708_100000181861 [0,2,0,0,0,0|1,0,0]=3 5841 B16R1.1402 O=[N+]([O-])c1ccc(cc1)COCCCCCl 34a_100000210776_100000181861 [0,2,0,0,0,0|1,0,0]=3 5842 B16R1.1402 O=[N+]([O-])c1ccc(cc1)COCCCCCl 7a_100000210776_100000181861 [0,2,0,0,0,0|1,0,0]=3 5843 B16R1.1402 O=[N+]([O-])c1ccc(cc1)COCCCCF 34a_100000211695_100000729493 [0,2,0,0,0,0|1,0,0]=3 5844 B16R1.1402 O=[N+]([O-])c1ccc(cc1)COCCCCF 34a_100011995726_100000181861 [0,2,0,0,0,0|1,0,0]=3 5845 B16R1.1402 O=[N+]([O-])c1ccc(cc1)COCCCCF 7a_100011995726_100000181861 [0,2,0,0,0,0|1,0,0]=3 5846 B16R1.1402 O=[N+]([O-])c1ccc(cc1)COCCCCI 34a_200012148704_100000181861 [0,2,0,0,0,0|1,0,0]=3 5847 B16R1.1402 O=[N+]([O-])c1ccc(cc1)COCCCCO 34a_100000211695_100011216708 [0,2,0,0,0,0|0,0,0]=2 5848 B16R1.1402 O=[N+]([O-])c1ccc(cc1)CSCC#CCO 62a_200000047223_100000184243 [0,2,0,0,0,0|0,1,1]=4 5849 B16R1.1402 O=[N+]([O-])c1ccc(cc1)CSCCCCF 62a_100000729493_100000184243 [0,2,0,0,0,0|1,1,0]=4 5850 B16R1.1402 O=[N+]([O-])c1ccc(cc1)CSCCCCO 62a_100000210776_100000184243 [0,2,0,0,0,0|0,1,0]=3 5851 B16R1.1402 O=[N+]([O-])c1ccc(cc1)NCCCCCF 2230a_100015195142_100000729378 [0,2,0,0,0,0|2,0,0]=4 5852 B16R1.1402 O=[N+]([O-])c1ccc(cc1)NCCCCCF 34a_100015195142_100000729378 [0,2,0,0,0,0|2,0,0]=4 5853 B16R1.1402 O=[N+]([O-])c1ccc(cc1)NCCCCCO 2230a_100015195142_100000746330 [0,2,0,0,0,0|1,0,0]=3 5854 B16R1.1402 O=[N+]([O-])c1ccc(cc1)NCCCCCO 34a_100015195142_100000746330 [0,2,0,0,0,0|1,0,0]=3 5855 B16R1.1402 O=[N+]([O-])c1ccc(cc1)NCCCOCF 34a_200000156464_100015361967 [0,2,0,0,0,0|1,0,0]=3 5856 B16R1.1402 O=[N+]([O-])c1ccc(cc1)NCCOCCO 2230a_100015195142_100011215305 [0,2,0,0,0,0|1,0,0]=3 5857 B16R1.1402 O=[N+]([O-])c1ccc(cc1)NCCOCCO 34a_100015195142_100000692535 [0,2,0,0,0,0|1,0,0]=3 5858 B16R1.1402 O=[N+]([O-])c1ccc(cc1)OCCCCCF 34a_100000185810_100000729378 [0,2,0,0,0,0|1,0,0]=3 5859 B16R1.1402 O=[N+]([O-])c1ccc(cc1)OCCCCCF 7a_100000185810_100000729378 [0,2,0,0,0,0|1,0,0]=3 5860 B16R1.1402 O=[N+]([O-])c1ccc(cc1)OCCCCCO 34a_100000185810_100000746330 [0,2,0,0,0,0|0,0,0]=2 5861 B16R1.1402 O=[N+]([O-])c1ccc(cc1)OCCCCCO 7a_100000185810_100000746330 [0,2,0,0,0,0|0,0,0]=2 5862 B16R1.1402 O=[N+]([O-])c1ccc(cc1)OCCCSCF 62a_100000743267_100015361967 [0,2,0,0,0,0|0,1,0]=3 5863 B16R1.1402 O=[N+]([O-])c1ccc(cc1)OCCCSCF 62a_100015361967_100000743267 [0,2,0,0,0,0|0,1,0]=3 5864 B16R1.1402 O=[N+]([O-])c1ccc(cc1)OCCNCCF 2230a_100000754164_100011217306 [0,2,0,0,0,0|1,0,0]=3 5865 B16R1.1402 O=[N+]([O-])c1ccc(cc1)OCCNCCF 34a_100000724931_100000742347 [0,2,0,0,0,0|1,0,0]=3 5866 B16R1.1402 O=[N+]([O-])c1ccc(cc1)OCCNCCF 34a_100000754164_100011217306 [0,2,0,0,0,0|1,0,0]=3 5867 B16R1.1402 O=[N+]([O-])c1ccc(cc1)OCCNCCO 2230a_100000754164_100000211926 [0,2,0,0,0,0|0,0,0]=2 5868 B16R1.1402 O=[N+]([O-])c1ccc(cc1)OCCNCCO 2230a_100016997473_100000742347 [0,2,0,0,0,0|0,0,0]=2 5869 B16R1.1402 O=[N+]([O-])c1ccc(cc1)OCCNCCO 34a_100000754164_100000211926 [0,2,0,0,0,0|0,0,0]=2 5870 B16R1.1402 O=[N+]([O-])c1ccc(cc1)OCCNCCO 34a_100016990907_100000742347 [0,2,0,0,0,0|0,0,0]=2 5871 B16R1.1402 O=[N+]([O-])c1ccc(cc1)OCCOCCBr 34a_100000211926_100000742347 [0,2,0,0,0,0|1,0,0]=3 5872 B16R1.1402 O=[N+]([O-])c1ccc(cc1)OCCOCCF 34a_100000193241_100011217306 [0,2,0,0,0,0|1,0,0]=3 5873 B16R1.1402 O=[N+]([O-])c1ccc(cc1)OCCOCCF 7a_100000193241_100011217306 [0,2,0,0,0,0|1,0,0]=3 5874 B16R1.1402 O=[N+]([O-])c1ccc(cc1)OCCOCCO 34a_100000185810_100000692535 [0,2,0,0,0,0|0,0,0]=2 5875 B16R1.1402 O=[N+]([O-])c1ccc(cc1)OCCOCCO 34a_100000193241_100000211926 [0,2,0,0,0,0|0,0,0]=2 5876 B16R1.1402 O=[N+]([O-])c1ccc(cc1)OCCOCCO 7a_100000185810_100011215305 [0,2,0,0,0,0|0,0,0]=2 5877 B16R1.1402 O=[N+]([O-])c1ccc(cc1)OCCOCCO 7a_100000193241_100000211926 [0,2,0,0,0,0|0,0,0]=2 5878 B16R1.1402 O=[N+]([O-])c1ccc(cc1)OCCSCCF 62a_100011217306_100000742347 [0,2,0,0,0,0|1,0,0]=3 5879 B16R1.1402 O=[N+]([O-])c1ccc(cc1)OCCSCCO 62a_100000211926_100000742347 [0,2,0,0,0,0|0,0,0]=2 5880 B16R1.1402 O=[N+]([O-])c1ccc(cc1)SCCOCCF 7a_100000156324_100011217306 [0,2,0,0,0,0|1,1,0]=4 5881 B16R1.1402 O=[N+]([O-])c1ccc(cc1)SCCOCCO 7a_100000156324_100000211926 [0,2,0,0,0,0|0,1,0]=3 5882 B16R1.1402 O=[N+]([O-])c1ccc(cn1)OCCCCCF 7a_100000060138_100000729378 [0,2,0,0,0,0|2,0,0]=4 5883 B16R1.1402 O=[N+]([O-])c1ccc(cn1)OCCCCCO 7a_100000060138_100000746330 [0,2,0,0,0,0|1,0,0]=3 5884 B16R1.1402 O=[N+]([O-])c1ccc(cn1)OCCOCCO 7a_100000060138_100011215305 [0,2,0,0,0,0|1,0,0]=3 5885 B16R1.1402 O=[N+]([O-])c1ccc(nc1)OCCOCCF 34a_100000040108_100011217306 [0,2,0,0,0,0|2,0,0]=4 5886 B16R1.1402 O=[N+]([O-])c1ccc(nc1)OCCOCCO 34a_100000040108_100000211926 [0,2,0,0,0,0|1,0,0]=3 5887 B16R1.1713 C#CCCCC(=O)c1ccc(cc1)[N+](=O)[O-] 1458a_100000185811_100000731252 [0,2,0,0,0,0|2,0,0]=4 5888 B16R1.1713 C#CCCCN(C)c1ccc(cc1)[N+](=O)[O-] 2230a_100000156523_100000731252 [0,2,0,0,0,0|2,0,0]=4 5889 B16R1.1713 C#CCCCN(C)c1ccc(cc1)[N+](=O)[O-] 269982a_100000156523_100011215417 [0,2,0,0,0,0|2,0,0]=4 5890 B16R1.1713 C#CCCCN(C)c1ccc(cc1)[N+](=O)[O-] 34a_100000156523_100000695029 [0,2,0,0,0,0|2,0,0]=4 5891 B16R1.1713 C#CCCOC(C)c1ccc(cc1)[N+](=O)[O-] 34a_100000246459_100000688953 [0,2,0,0,0,0|1,0,1]=4 5892 B16R1.1713 C#CCCOC(C)c1ccc(cc1)[N+](=O)[O-] 7a_100000246459_100000688953 [0,2,0,0,0,0|1,0,1]=4 5893 B16R1.1713 C=CCCCC(=O)c1ccc(cc1)[N+](=O)[O-] 1458a_100000185811_100000757094 [0,2,0,0,0,0|2,0,0]=4 5894 B16R1.1713 C=CCCCN(C)c1ccc(cc1)[N+](=O)[O-] 2230a_100000156523_100011713584 [0,2,0,0,0,0|2,0,0]=4 5895 B16R1.1713 C=CCCCN(C)c1ccc(cc1)[N+](=O)[O-] 269982a_100000156523_100000757094 [0,2,0,0,0,0|2,0,0]=4 5896 B16R1.1713 C=CCCCN(C)c1ccc(cc1)[N+](=O)[O-] 34a_100000156523_100000757094 [0,2,0,0,0,0|2,0,0]=4 5897 B16R1.1713 C=CCCOC(C)c1ccc(cc1)[N+](=O)[O-] 34a_100000246459_100000754431 [0,2,0,0,0,0|1,0,1]=4 5898 B16R1.1713 C=CCCOC(C)c1ccc(cc1)[N+](=O)[O-] 7a_100000246459_100000754431 [0,2,0,0,0,0|1,0,1]=4 5899 B16R1.1713 CC(=NNCCO)c1ccc(cc1)[N+](=O)[O-] 4a_100000210001_100000210132 [0,2,0,0,0,0|2,0,0]=4 5900 B16R1.1713 CC(NCCCF)c1ccc(cc1)[N+](=O)[O-] 2230a_100015189416_100000684656 [0,2,0,0,0,0|2,0,0]=4 5901 B16R1.1713 CC(OCCC#N)c1ccc(cc1)[N+](=O)[O-] 7a_100000246459_100000184422 [0,2,0,0,0,0|1,0,1]=4 5902 B16R1.1713 CC(OCCCF)c1ccc(cc1)[N+](=O)[O-] 34a_100000246459_100011934791 [0,2,0,0,0,0|1,0,0]=3 5903 B16R1.1713 CC(OCCCF)c1ccc(cc1)[N+](=O)[O-] 7a_100000246459_100011934791 [0,2,0,0,0,0|1,0,0]=3 5904 B16R1.1713 CC(OCCCO)c1ccc(cc1)C(=O)N 7a_200010363529_100011215043 [0,2,0,0,0,0|2,0,0]=4 5905 B16R1.1713 CC(OCCCO)c1ccc(cc1)[N+](=O)[O-] 34a_100000246459_100000230001 [0,2,0,0,0,0|0,0,0]=2 5906 B16R1.1713 CC(OCCCO)c1ccc(cc1)[N+](=O)[O-] 7a_100000246459_100011215043 [0,2,0,0,0,0|0,0,0]=2 5907 B16R1.1713 CCCCCC(=O)c1ccc(cc1)[N+](=O)[O-] 1458a_100000185811_100000210326 [0,2,0,0,0,0|2,0,0]=4 5908 B16R1.1713 CCCCCN(C)c1ccc(cc1)[N+](=O)[O-] 2230a_100000156523_100000210326 [0,2,0,0,0,0|2,0,0]=4 5909 B16R1.1713 CCCCCN(C)c1ccc(cc1)[N+](=O)[O-] 269982a_100000156523_100000210215 [0,2,0,0,0,0|2,0,0]=4 5910 B16R1.1713 CCCCCN(C)c1ccc(cc1)[N+](=O)[O-] 34a_100000156523_100000718602 [0,2,0,0,0,0|2,0,0]=4 5911 B16R1.1713 CCCCNC(=O)c1ccc(cc1)[N+](=O)[O-] 11a_100000102301_100000185811 [0,2,0,0,0,0|2,0,0]=4 5912 B16R1.1713 CCCCNC(=O)c1ccc(cc1)[N+](=O)[O-] 1626a_100000102301_100000185811 [0,2,0,0,0,0|2,0,0]=4 5913 B16R1.1713 CCCCNC(=O)c1ccc(cc1)[N+](=O)[O-] 240690a_100000102301_100000185811 [0,2,0,0,0,0|2,0,0]=4 5914 B16R1.1713 CCCCNC(=O)c1ccc(cc1)[N+](=O)[O-] 527a_100000102301_100000185811 [0,2,0,0,0,0|2,0,0]=4 5915 B16R1.1713 CCCCNC(C)c1ccc(cc1)[N+](=O)[O-] 2230a_100000102301_100000684656 [0,2,0,0,0,0|2,0,0]=4 5916 B16R1.1713 CCCCNC(C)c1ccc(cc1)[N+](=O)[O-] 7a_106832991798_100000684656 [0,2,0,0,0,0|2,0,0]=4 5917 B16R1.1713 CCCCN[C@@H](C)c1ccc(cc1)[N+](=O)[O-] 2230a_100000008510_100000210211 [0,2,0,0,0,0|2,0,0]=4 5918 B16R1.1713 CCCCOC(C)c1ccc(cc1)[N+](=O)[O-] 34a_100000246459_100000210210 [0,2,0,0,0,0|1,0,0]=3 5919 B16R1.1713 CCCCOC(C)c1ccc(cc1)[N+](=O)[O-] 7a_100000210227_100000684656 [0,2,0,0,0,0|1,0,0]=3 5920 B16R1.1713 CCCCOC(C)c1ccc(cc1)[N+](=O)[O-] 7a_100000246459_100000210211 [0,2,0,0,0,0|1,0,0]=3 5921 B16R1.1713 CCCSCC(=O)c1ccc(cc1)[N+](=O)[O-] 62a_100000195401_100000210303 [0,2,0,0,0,0|2,0,0]=4 5922 B16R1.1713 CCOCCC(=O)c1ccc(cc1)[N+](=O)[O-] 1458a_100000185811_100011215890 [0,2,0,0,0,0|2,0,0]=4 5923 B16R1.1713 CCOCCN(C)c1ccc(cc1)[N+](=O)[O-] 2230a_100000156523_100011215890 [0,2,0,0,0,0|2,0,0]=4 5924 B16R1.1713 CCOCCN(C)c1ccc(cc1)[N+](=O)[O-] 269982a_100000156523_100011215890 [0,2,0,0,0,0|2,0,0]=4 5925 B16R1.1713 CCOCCN(C)c1ccc(cc1)[N+](=O)[O-] 34a_100000156523_100000210147 [0,2,0,0,0,0|2,0,0]=4 5926 B16R1.1713 CCSCCC(=O)c1ccc(cc1)[N+](=O)[O-] 1458a_100000185811_100000757381 [0,2,0,0,0,0|2,0,0]=4 5927 B16R1.1713 CCSCCN(C)c1ccc(cc1)[N+](=O)[O-] 2230a_100000156523_100000757381 [0,2,0,0,0,0|2,0,0]=4 5928 B16R1.1713 CCSCCN(C)c1ccc(cc1)[N+](=O)[O-] 269982a_100000156523_100000757381 [0,2,0,0,0,0|2,0,0]=4 5929 B16R1.1713 CCSCCN(C)c1ccc(cc1)[N+](=O)[O-] 34a_100000156523_100000757381 [0,2,0,0,0,0|2,0,0]=4 5930 B16R1.1713 CN(CC#CCO)c1ccc(cc1)[N+](=O)[O-] 2230a_100000156523_200000047223 [0,2,0,0,0,0|1,0,1]=4 5931 B16R1.1713 CN(CC#CCO)c1ccc(cc1)[N+](=O)[O-] 34a_100000156523_200000047223 [0,2,0,0,0,0|1,0,1]=4 5932 B16R1.1713 CN(CCCC#N)c1ccc(cc1)[N+](=O)[O-] 2230a_100000156523_100000687738 [0,2,0,0,0,0|2,0,0]=4 5933 B16R1.1713 CN(CCCC#N)c1ccc(cc1)[N+](=O)[O-] 269982a_100000156523_100000687738 [0,2,0,0,0,0|2,0,0]=4 5934 B16R1.1713 CN(CCCC=O)c1ccc(cc1)[N+](=O)[O-] 2230a_100000156523_200011292268 [0,2,0,0,0,0|1,0,1]=4 5935 B16R1.1713 CN(CCCC=O)c1ccc(cc1)[N+](=O)[O-] 269982a_100000156523_200011292268 [0,2,0,0,0,0|1,0,1]=4 5936 B16R1.1713 CN(CCCCF)c1ccc(cc1)[N+](=O)[O-] 2230a_100000156523_100000729493 [0,2,0,0,0,0|2,0,0]=4 5937 B16R1.1713 CN(CCCCF)c1ccc(cc1)[N+](=O)[O-] 269982a_100000156523_100000729493 [0,2,0,0,0,0|2,0,0]=4 5938 B16R1.1713 CN(CCCCF)c1ccc(cc1)[N+](=O)[O-] 34a_100000156523_100000729493 [0,2,0,0,0,0|2,0,0]=4 5939 B16R1.1713 CN(CCCCO)c1ccc(cc1)[N+](=O)[O-] 2230a_100000156523_100000210776 [0,2,0,0,0,0|1,0,0]=3 5940 B16R1.1713 CN(CCCCO)c1ccc(cc1)[N+](=O)[O-] 269982a_100000156523_100000210776 [0,2,0,0,0,0|1,0,0]=3 5941 B16R1.1713 CN(CCCCO)c1ccc(cc1)[N+](=O)[O-] 34a_100000156523_100011216708 [0,2,0,0,0,0|1,0,0]=3 5942 B16R1.1713 COCCCC(=O)c1ccc(cc1)[N+](=O)[O-] 1458a_100000185811_100000740836 [0,2,0,0,0,0|1,0,0]=3 5943 B16R1.1713 COCCCN(C)c1ccc(cc1)[N+](=O)[O-] 2230a_100000156523_100000740836 [0,2,0,0,0,0|1,0,0]=3 5944 B16R1.1713 COCCCN(C)c1ccc(cc1)[N+](=O)[O-] 269982a_100000156523_100000740836 [0,2,0,0,0,0|1,0,0]=3 5945 B16R1.1713 COCCCN(C)c1ccc(cc1)[N+](=O)[O-] 34a_100000156523_100000740836 [0,2,0,0,0,0|1,0,0]=3 5946 B16R1.1713 COCCNC(=O)c1ccc(cc1)[N+](=O)[O-] 1626a_100000209980_100000185811 [0,2,0,0,0,0|2,0,0]=4 5947 B16R1.1713 COCCNC(=O)c1ccc(cc1)[N+](=O)[O-] 240690a_100000209980_100000185811 [0,2,0,0,0,0|2,0,0]=4 5948 B16R1.1713 COCCNC(=O)c1ccc(cc1)[N+](=O)[O-] 527a_100000209980_100000185811 [0,2,0,0,0,0|2,0,0]=4 5949 B16R1.1713 COCCNC(C)c1ccc(cc1)[N+](=O)[O-] 2230a_100000209980_100000684656 [0,2,0,0,0,0|2,0,0]=4 5950 B16R1.1713 COCCN[C@@H](C)c1ccc(cc1)[N+](=O)[O-] 2230a_100000008510_100011201679 [0,2,0,0,0,0|2,0,0]=4 5951 B16R1.1713 COCCOC(C)c1ccc(cc1)[N+](=O)[O-] 34a_100000246459_100011201679 [0,2,0,0,0,0|2,0,0]=4 5952 B16R1.1713 COCCOC(C)c1ccc(cc1)[N+](=O)[O-] 7a_100000246459_100000233755 [0,2,0,0,0,0|2,0,0]=4 5953 B16R1.1713 COCSCC(=O)c1ccc(cc1)[N+](=O)[O-] 62a_100000195401_100000766300 [0,2,0,0,0,0|2,0,0]=4 5954 B16R1.1713 CSCCOC(C)c1ccc(cc1)[N+](=O)[O-] 34a_100000246459_100000212216 [0,2,0,0,0,0|2,0,0]=4 5955 B16R1.1713 CSCCOC(C)c1ccc(cc1)[N+](=O)[O-] 7a_100000230434_100000684656 [0,2,0,0,0,0|2,0,0]=4 5956 B16R1.1713 CSCCOC(C)c1ccc(cc1)[N+](=O)[O-] 7a_100000246459_100000212216 [0,2,0,0,0,0|2,0,0]=4 5957 B16R1.1713 C[C@H](NCCCF)c1ccc(cc1)[N+](=O)[O-] 2230a_100000008510_100011934791 [0,2,0,0,0,0|2,0,0]=4 5958 B16R1.1713 C[C@H](NCCCO)c1ccc(cc1)[N+](=O)[O-] 2230a_100000008510_100000230001 [0,2,0,0,0,0|1,0,0]=3 5959 B16R1.1713 N#CCCCC(=O)c1ccc(cc1)[N+](=O)[O-] 1458a_100000185811_100000211468 [0,2,0,0,0,0|2,0,0]=4 5960 B16R1.1713 O=C(CC#CCO)c1ccc(cc1)[N+](=O)[O-] 1458a_100000185811_200000047223 [0,2,0,0,0,0|1,0,1]=4 5961 B16R1.1713 O=C(CCCCF)c1ccc(cc1)[N+](=O)[O-] 1458a_100000185811_100000729493 [0,2,0,0,0,0|2,0,0]=4 5962 B16R1.1713 O=C(CCCCO)c1ccc(cc1)[N+](=O)[O-] 1458a_100000185811_100000210776 [0,2,0,0,0,0|1,0,0]=3 5963 B16R1.1713 O=C(CNCCO)c1ccc(cc1)[N+](=O)[O-] 2230a_100016997473_100000195401 [0,2,0,0,0,0|1,0,0]=3 5964 B16R1.1713 O=C(CSCCF)c1ccc(cc1)[N+](=O)[O-] 62a_100000195401_100011217306 [0,2,0,0,0,0|2,0,0]=4 5965 B16R1.1713 O=C(CSCCO)c1ccc(cc1)[N+](=O)[O-] 62a_100000195401_100000211926 [0,2,0,0,0,0|1,0,0]=3 5966 B16R1.1713 O=C(NCCCF)c1ccc(cc1)[N+](=O)[O-] 11a_100015189416_100000185811 [0,2,0,0,0,0|2,0,0]=4 5967 B16R1.1713 O=C(NCCCF)c1ccc(cc1)[N+](=O)[O-] 1626a_100015189416_100000185811 [0,2,0,0,0,0|2,0,0]=4 5968 B16R1.1713 O=C(NCCCF)c1ccc(cc1)[N+](=O)[O-] 240690a_100015189416_100000185811 [0,2,0,0,0,0|2,0,0]=4 5969 B16R1.1713 O=C(NCCCF)c1ccc(cc1)[N+](=O)[O-] 527a_100015189416_100000185811 [0,2,0,0,0,0|2,0,0]=4 5970 B16R1.1713 O=C(NCCCO)c1ccc(cc1)[N+](=O)[O-] 240690a_100000182051_100000185811 [0,2,0,0,0,0|1,0,0]=3 5971 B16R1.1713 O=C(NCCCO)c1ccc(cc1)[N+](=O)[O-] 527a_100000182051_100000185811 [0,2,0,0,0,0|1,0,0]=3 5972 B16R1.1713 O=C(NNCCO)c1ccc(cc1)[N+](=O)[O-] 22a_100000210001_100000185811 [0,2,0,0,0,0|2,0,0]=4 5973 B16R1.7635 CC(Cc1ccc(cc1)[N+](=O)[O-])NCCO 270004a_100000210304_100011217814 [0,2,0,0,0,0|1,0,0]=3 5974 B16R1.7635 CCCCC(=O)Cc1ccc(cc1)[N+](=O)[O-] 1458a_100000210183_100000181861 [0,2,0,0,0,0|2,0,0]=4 5975 B16R1.7635 CCCCC(=O)Cc1ccc(cc1)[N+](=O)[O-] 1458a_100000210908_100000210211 [0,2,0,0,0,0|2,0,0]=4 5976 B16R1.7635 CCCCC(=O)Nc1ccc(cc1)[N+](=O)[O-] 11a_100015195142_100000210183 [0,2,0,0,0,0|2,0,0]=4 5977 B16R1.7635 CCCCC(=O)Nc1ccc(cc1)[N+](=O)[O-] 1626a_100015195142_100000210183 [0,2,0,0,0,0|2,0,0]=4 5978 B16R1.7635 CCCCC(C)Nc1ccc(cc1)[N+](=O)[O-] 2230a_100015195142_200011215066 [0,2,0,0,0,0|2,0,0]=4 5979 B16R1.7635 CCCCC(C)Nc1ccc(cc1)[N+](=O)[O-] 34a_100015195142_200011215066 [0,2,0,0,0,0|2,0,0]=4 5980 B16R1.7635 CCCCC(C)Oc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_200011215066 [0,2,0,0,0,0|1,0,0]=3 5981 B16R1.7635 CCCCC(C)Oc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_200011215066 [0,2,0,0,0,0|1,0,0]=3 5982 B16R1.7635 CCCCC(C)Oc1ccc(nc1)[N+](=O)[O-] 7a_100000060138_200011215066 [0,2,0,0,0,0|2,0,0]=4 5983 B16R1.7635 CCCCN(C)Cc1ccc(cc1)[N+](=O)[O-] 2230a_100000207549_100000181861 [0,2,0,0,0,0|2,0,0]=4 5984 B16R1.7635 CCCCN(C)Cc1ccc(cc1)[N+](=O)[O-] 2230a_100015189985_100000210211 [0,2,0,0,0,0|2,0,0]=4 5985 B16R1.7635 CCCCN(C)Cc1ccc(cc1)[N+](=O)[O-] 269982a_100000207549_100000184243 [0,2,0,0,0,0|2,0,0]=4 5986 B16R1.7635 CCCCN(C)Cc1ccc(cc1)[N+](=O)[O-] 269982a_100015189985_100000210211 [0,2,0,0,0,0|2,0,0]=4 5987 B16R1.7635 CCCCN(C)Cc1ccc(cc1)[N+](=O)[O-] 26a_100000207549_100000185810 [0,2,0,0,0,0|2,0,0]=4 5988 B16R1.7635 CCCCN(C)Cc1ccc(cc1)[N+](=O)[O-] 270004a_100000207549_100000189386 [0,2,0,0,0,0|2,0,0]=4 5989 B16R1.7635 CCCNC(C)Cc1ccc(cc1)[N+](=O)[O-] 270004a_100020643023_100011217814 [0,2,0,0,0,0|2,0,0]=4 5990 B16R1.7635 CCNCC(=O)Oc1ccc(cc1)[N+](=O)[O-] 2230a_100015525214_100009813447 [0,2,0,0,0,0|1,0,1]=4 5991 B16R1.7635 CN(CCCF)Cc1ccc(cc1)[N+](=O)[O-] 2230a_100015189985_100011934791 [0,2,0,0,0,0|2,0,0]=4 5992 B16R1.7635 CN(CCCF)Cc1ccc(cc1)[N+](=O)[O-] 269982a_100015189985_100011934791 [0,2,0,0,0,0|2,0,0]=4 5993 B16R1.7635 CN(CCCO)Cc1ccc(cc1)C(=O)[O-] 26a_100000213112_100016998105 [0,2,0,0,0,0|2,0,0]=4 5994 B16R1.7635 CN(CCCO)Cc1ccc(cc1)[N+](=O)[O-] 2230a_100000213112_100000181861 [0,2,0,0,0,0|1,0,0]=3 5995 B16R1.7635 CN(CCCO)Cc1ccc(cc1)[N+](=O)[O-] 2230a_100015189985_100000230001 [0,2,0,0,0,0|1,0,0]=3 5996 B16R1.7635 CN(CCCO)Cc1ccc(cc1)[N+](=O)[O-] 269982a_100000213112_100000184243 [0,2,0,0,0,0|1,0,0]=3 5997 B16R1.7635 CN(CCCO)Cc1ccc(cc1)[N+](=O)[O-] 269982a_100015189985_100011215043 [0,2,0,0,0,0|1,0,0]=3 5998 B16R1.7635 CN(CCCO)Cc1ccc(cc1)[N+](=O)[O-] 26a_100000213112_100000185810 [0,2,0,0,0,0|1,0,0]=3 5999 B16R1.7635 CN(CCCO)Cc1ccc(cc1)[N+](=O)[O-] 270004a_100000213112_100000189386 [0,2,0,0,0,0|1,0,0]=3 6000 B16R1.7635 COCCC(=O)Cc1ccc(cc1)[N+](=O)[O-] 1458a_100000210908_100000233755 [0,2,0,0,0,0|1,0,1]=4 6001 B16R1.7635 COCCC(=O)Cc1ccc(cc1)[N+](=O)[O-] 1458a_100000749529_100000181861 [0,2,0,0,0,0|1,0,1]=4 6002 B16R1.7635 COCCC(=O)Nc1ccc(cc1)[N+](=O)[O-] 11a_100015195142_100000749529 [0,2,0,0,0,0|1,0,1]=4 6003 B16R1.7635 COCCC(=O)Nc1ccc(cc1)[N+](=O)[O-] 1626a_100015195142_100000749529 [0,2,0,0,0,0|1,0,1]=4 6004 B16R1.7635 COCCN(C)Cc1ccc(cc1)[N+](=O)[O-] 2230a_100000743101_100000181861 [0,2,0,0,0,0|2,0,0]=4 6005 B16R1.7635 COCCN(C)Cc1ccc(cc1)[N+](=O)[O-] 2230a_100015189985_100011201679 [0,2,0,0,0,0|2,0,0]=4 6006 B16R1.7635 COCCN(C)Cc1ccc(cc1)[N+](=O)[O-] 269982a_100000743101_100000184243 [0,2,0,0,0,0|2,0,0]=4 6007 B16R1.7635 COCCN(C)Cc1ccc(cc1)[N+](=O)[O-] 269982a_100015189985_100000233755 [0,2,0,0,0,0|2,0,0]=4 6008 B16R1.7635 COCCN(C)Cc1ccc(cc1)[N+](=O)[O-] 26a_100000743101_100000185810 [0,2,0,0,0,0|2,0,0]=4 6009 B16R1.7635 COCCN(C)Cc1ccc(cc1)[N+](=O)[O-] 270004a_100000743101_100000189386 [0,2,0,0,0,0|2,0,0]=4 6010 B16R1.7635 O=C(CCCF)Cc1ccc(cc1)[N+](=O)[O-] 1458a_100000210908_100011934791 [0,2,0,0,0,0|2,0,0]=4 6011 B16R1.7635 O=C(CCCO)Cc1ccc(cc1)[N+](=O)[O-] 1458a_100000210908_100011215043 [0,2,0,0,0,0|1,0,0]=3 6012 B16R1.7635 O=C(Cc1ccc(cc1)[N+](=O)[O-])NCCO 240690a_100000210304_100000210908 [0,2,0,0,0,0|1,0,1]=4 6013 B16R1.7635 O=C(NCCO)Nc1ccc(cc1)[N+](=O)[O-] 2430a_100015195142_100000210304 [0,2,0,0,0,0|1,0,1]=4 6014 B16R1.598 CC(=O)c1ccc(cc1)OCCC(C)(C)O 34a_100000185113_100000702414 [0,2,0,0,0,0|2,0,0]=4 6015 B16R1.598 CC(=O)c1ccc(cc1)OCCC(C)(C)O 7a_100000185113_100000702414 [0,2,0,0,0,0|2,0,0]=4 6016 B16R1.598 CC(C)(C)CCNc1ccc(cc1)[N+](=O)[O-] 2230a_100015195142_100000755188 [0,2,0,0,0,0|2,0,0]=4 6017 B16R1.598 CC(C)(C)CCNc1ccc(cc1)[N+](=O)[O-] 34a_100015195142_100000755188 [0,2,0,0,0,0|2,0,0]=4 6018 B16R1.598 CC(C)(C)CCOc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_100000755188 [0,2,0,0,0,0|1,0,0]=3 6019 B16R1.598 CC(C)(C)CCOc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_100000755188 [0,2,0,0,0,0|1,0,0]=3 6020 B16R1.598 CC(C)(C)CCOc1ccc(nc1)[N+](=O)[O-] 7a_100000060138_100000755188 [0,2,0,0,0,0|2,0,0]=4 6021 B16R1.598 CC(C)(O)CCNc1ccc(cc1)[N+](=O)[O-] 2230a_100015195142_100000702414 [0,2,0,0,0,0|1,0,0]=3 6022 B16R1.598 CC(C)(O)CCNc1ccc(cc1)[N+](=O)[O-] 34a_100015195142_100000702414 [0,2,0,0,0,0|1,0,0]=3 6023 B16R1.598 CC(C)(O)CCOc1ccc(cc1)C(=O)N 34a_100000746352_100000702414 [0,2,0,0,0,0|2,0,0]=4 6024 B16R1.598 CC(C)(O)CCOc1ccc(cc1)C(=O)N 7a_100000746352_100000702414 [0,2,0,0,0,0|2,0,0]=4 6025 B16R1.598 CC(C)(O)CCOc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_100000702414 [0,2,0,0,0,0|0,0,0]=2 6026 B16R1.598 CC(C)(O)CCOc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_100000702414 [0,2,0,0,0,0|0,0,0]=2 6027 B16R1.598 CC(C)(O)CCOc1ccc(nc1)[N+](=O)[O-] 7a_100000060138_100000702414 [0,2,0,0,0,0|1,0,0]=3 6028 B16R1.598 CC(C)(O)CNCc1ccc(cc1)[N+](=O)[O-] 207a_100000751335_100000189386 [0,2,0,0,0,0|2,0,0]=4 6029 B16R1.598 CC(C)(O)CNCc1ccc(cc1)[N+](=O)[O-] 2230a_100000751335_100000181861 [0,2,0,0,0,0|2,0,0]=4 6030 B16R1.598 CC(C)(O)CNCc1ccc(cc1)[N+](=O)[O-] 26a_100000751335_100000185810 [0,2,0,0,0,0|2,0,0]=4 6031 B16R1.598 CC(C)(O)CNCc1ccc(cc1)[N+](=O)[O-] 270004a_100000751335_100000189386 [0,2,0,0,0,0|2,0,0]=4 6032 B16R1.598 CC(C)(O)CNCc1ccc(cc1)[N+](=O)[O-] 34a_100000742766_100000764493 [0,2,0,0,0,0|2,0,0]=4 6033 B16R1.598 CC(C)(O)COCc1ccc(cc1)[N+](=O)[O-] 34a_100000211695_100000764493 [0,2,0,0,0,0|2,0,0]=4 6034 B16R1.598 CC(C)(O)CSCc1ccc(cc1)[N+](=O)[O-] 62a_100000764493_100000184243 [0,2,0,0,0,0|2,0,0]=4 6035 B16R1.598 CS(=O)(=O)CCOc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_100000731031 [0,2,0,0,0,0|1,0,1]=4 6036 B16R1.598 CS(=O)(=O)CCOc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_100000230027 [0,2,0,0,0,0|1,0,1]=4 6037 B16R1.598 CS(=O)c1ccc(cc1)OCCC(C)(C)O 34a_200000064373_100000702414 [0,2,0,0,0,0|2,0,0]=4 6038 B16R1.598 CS(=O)c1ccc(cc1)OCCC(C)(C)O 7a_200000064373_100000702414 [0,2,0,0,0,0|2,0,0]=4 6039 B16R1.598 C[N+](C)(C)CCOc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_100000085578 [0,2,0,0,0,0|2,0,0]=4 6040 B16R1.598 C[N+](C)(C)CCOc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_100000085578 [0,2,0,0,0,0|2,0,0]=4 6041 B16R1.598 C[Si](C)(C)CCOc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_200000733723 [0,2,0,0,0,0|1,1,0]=4 6042 B16R1.598 C[Si](C)(C)CCOc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_200000733723 [0,2,0,0,0,0|1,1,0]=4 6043 B16R1.598 O=[N+]([O-])c1ccc(cc1)NCCC(F)(F)F 34a_100015195142_100011219754 [0,2,0,0,0,0|2,0,0]=4 6044 B16R1.598 O=[N+]([O-])c1ccc(cc1)OCCC(F)(F)F 34a_100000185810_100011219754 [0,2,0,0,0,0|1,0,0]=3 6045 B16R1.598 O=[N+]([O-])c1ccc(cc1)OCCC(F)(F)F 7a_100000185810_100011219754 [0,2,0,0,0,0|1,0,0]=3 6046 B16R1.598 O=[N+]([O-])c1ccc(cc1)OCCS(=O)(=O)[O-] 34a_100000185810_100000762736 [0,2,0,0,0,0|1,0,1]=4 6047 B16R1.598 O=[N+]([O-])c1ccc(cn1)OCCC(F)(F)F 7a_100000060138_100011219754 [0,2,0,0,0,0|2,0,0]=4 6048 B16R1.4542 CC(C)CCC(=O)c1ccc(cc1)[N+](=O)[O-] 1458a_100000185811_100000210312 [0,2,0,0,0,0|2,0,0]=4 6049 B16R1.4542 CC(C)CCN(C)c1ccc(cc1)[N+](=O)[O-] 2230a_100000156523_100000210312 [0,2,0,0,0,0|2,0,0]=4 6050 B16R1.4542 CC(C)CCN(C)c1ccc(cc1)[N+](=O)[O-] 269982a_100000156523_100000210312 [0,2,0,0,0,0|2,0,0]=4 6051 B16R1.4542 CC(C)CCN(C)c1ccc(cc1)[N+](=O)[O-] 34a_100000156523_100000210312 [0,2,0,0,0,0|2,0,0]=4 6052 B16R1.4542 CC(O)CCC(=O)c1ccc(cc1)[N+](=O)[O-] 1458a_100000185811_100012276601 [0,2,0,0,0,0|1,0,0]=3 6053 B16R1.4542 CC(O)CCN(C)c1ccc(cc1)[N+](=O)[O-] 2230a_100000156523_100012276601 [0,2,0,0,0,0|1,0,0]=3 6054 B16R1.4542 CC(O)CCN(C)c1ccc(cc1)[N+](=O)[O-] 269982a_100000156523_100012276601 [0,2,0,0,0,0|1,0,0]=3 6055 B16R1.4542 CC(O)CCN(C)c1ccc(cc1)[N+](=O)[O-] 34a_100000156523_100012276601 [0,2,0,0,0,0|1,0,0]=3 6056 B16R1.4542 CC(O)CNC(=O)c1ccc(cc1)[N+](=O)[O-] 11a_100000210904_100000185811 [0,2,0,0,0,0|2,0,0]=4 6057 B16R1.4542 CC(O)CNC(=O)c1ccc(cc1)[N+](=O)[O-] 240690a_100000210904_100000185811 [0,2,0,0,0,0|2,0,0]=4 6058 B16R1.4542 CC(O)CNC(=O)c1ccc(cc1)[N+](=O)[O-] 527a_100000210904_100000185811 [0,2,0,0,0,0|2,0,0]=4 6059 B16R1.4542 CC(O)CNC(C)c1ccc(cc1)[N+](=O)[O-] 2230a_100000210904_100000684656 [0,2,0,0,0,0|2,0,0]=4 6060 B16R1.4542 CC(O)CN[C@@H](C)c1ccc(cc1)[N+](=O)[O-] 2230a_100000008510_100011218427 [0,2,0,0,0,0|2,0,0]=4 6061 B16R1.4542 CC(O)COC(C)c1ccc(cc1)[N+](=O)[O-] 34a_100000246459_100011218427 [0,2,0,0,0,0|2,0,0]=4 6062 B16R1.4542 CC(O)COC(C)c1ccc(cc1)[N+](=O)[O-] 7a_100000246459_100011218427 [0,2,0,0,0,0|2,0,0]=4 6063 B16R1.4542 CC(OC[C@@H](C)O)c1ccc(cc1)[N+](=O)[O-] 34a_100000246459_100009817552 [0,2,0,0,0,0|2,0,0]=4 6064 B16R1.4542 CC(OC[C@@H](C)O)c1ccc(cc1)[N+](=O)[O-] 7a_100000246459_100009817552 [0,2,0,0,0,0|2,0,0]=4 6065 B16R1.4542 C[C@H](NC[C@@H](C)O)c1ccc(cc1)[N+](=O)[O-] 2230a_100000008510_100009817552 [0,2,0,0,0,0|2,0,0]=4 6066 B16R1.6719 C=C(C)CCOc1ccc(c(c1)Br)[N+](=O)[O-] 34a_100012356988_100000730704 [0,2,0,0,0,0|1,0,1]=4 6067 B16R1.6719 C=C(C)CCOc1ccc(c(c1)Br)[N+](=O)[O-] 7a_100012356988_100000730704 [0,2,0,0,0,0|1,0,1]=4 6068 B16R1.6719 C=C(C)CCOc1ccc(c(c1)C)[N+](=O)[O-] 34a_100000195451_100000730704 [0,2,0,0,0,0|1,0,1]=4 6069 B16R1.6719 C=C(C)CCOc1ccc(c(c1)C)[N+](=O)[O-] 7a_100000195451_100000730704 [0,2,0,0,0,0|1,0,1]=4 6070 B16R1.6719 C=C(C)CCOc1ccc(c(c1)Cl)[N+](=O)[O-] 34a_100000746235_100000730704 [0,2,0,0,0,0|1,0,1]=4 6071 B16R1.6719 C=C(C)CCOc1ccc(c(c1)Cl)[N+](=O)[O-] 7a_100000746235_100000730704 [0,2,0,0,0,0|1,0,1]=4 6072 B16R1.6719 C=C(C)CCOc1ccc(c(c1)F)[N+](=O)[O-] 7a_100000745333_100000730704 [0,2,0,0,0,0|1,0,1]=4 6073 B16R1.6719 C=C(C)CCOc1ccc(c(c1)I)[N+](=O)[O-] 7a_100010243554_100000730704 [0,2,0,0,0,0|1,0,1]=4 6074 B16R1.6719 C=C(C)CCOc1ccc(c(c1)N)[N+](=O)[O-] 7a_100000729835_100000730704 [0,2,0,0,0,0|1,0,1]=4 6075 B16R1.6719 CC(=O)CCOc1ccc(c(c1)Br)[N+](=O)[O-] 7a_100012356988_100000053229 [0,2,0,0,0,0|0,0,2]=4 6076 B16R1.6719 CC(=O)CCOc1ccc(c(c1)C)[N+](=O)[O-] 7a_100000195451_100000053229 [0,2,0,0,0,0|0,0,2]=4 6077 B16R1.6719 CC(=O)CCOc1ccc(c(c1)Cl)[N+](=O)[O-] 7a_100000746235_100000053229 [0,2,0,0,0,0|0,0,2]=4 6078 B16R1.6719 CC(=O)CCOc1ccc(c(c1)F)[N+](=O)[O-] 7a_100000745333_100000053229 [0,2,0,0,0,0|0,0,2]=4 6079 B16R1.6719 CC(=O)CCOc1ccc(c(c1)I)[N+](=O)[O-] 7a_100010243554_100000053229 [0,2,0,0,0,0|0,0,2]=4 6080 B16R1.6719 CC(=O)CCOc1ccc(c(c1)N)[N+](=O)[O-] 7a_100000729835_100000053229 [0,2,0,0,0,0|0,0,2]=4 6081 B16R1.6719 CC(=O)c1ccc(cc1Br)OCCC(C)O 34a_100012340537_100012276601 [0,2,0,0,0,0|2,0,0]=4 6082 B16R1.6719 CC(=O)c1ccc(cc1Br)OCCC(C)O 7a_100012340537_100012276601 [0,2,0,0,0,0|2,0,0]=4 6083 B16R1.6719 CC(=O)c1ccc(cc1C)OCCC(C)O 34a_100000702595_100012276601 [0,2,0,0,0,0|2,0,0]=4 6084 B16R1.6719 CC(=O)c1ccc(cc1C)OCCC(C)O 7a_100000702595_100012276601 [0,2,0,0,0,0|2,0,0]=4 6085 B16R1.6719 CC(=O)c1ccc(cc1Cl)OCCC(C)O 34a_100011933989_100012276601 [0,2,0,0,0,0|2,0,0]=4 6086 B16R1.6719 CC(=O)c1ccc(cc1Cl)OCCC(C)O 7a_100011933989_100012276601 [0,2,0,0,0,0|2,0,0]=4 6087 B16R1.6719 CC(=O)c1ccc(cc1F)OCCC(C)O 34a_100000752407_100012276601 [0,2,0,0,0,0|2,0,0]=4 6088 B16R1.6719 CC(=O)c1ccc(cc1F)OCCC(C)O 7a_100000752407_100012276601 [0,2,0,0,0,0|2,0,0]=4 6089 B16R1.6719 CC(C)CCNc1ccc(c(c1)Br)[N+](=O)[O-] 7a_100000693983_100000210626 [0,2,0,0,0,0|2,0,0]=4 6090 B16R1.6719 CC(C)CCNc1ccc(c(c1)F)[N+](=O)[O-] 34a_100000741728_100000210312 [0,2,0,0,0,0|2,0,0]=4 6091 B16R1.6719 CC(C)CCNc1ccc(c(c1)F)[N+](=O)[O-] 7a_100000741728_100000210626 [0,2,0,0,0,0|2,0,0]=4 6092 B16R1.6719 CC(C)CCOc1ccc(c(c1)Br)[N+](=O)[O-] 34a_100012356988_100000210312 [0,2,0,0,0,0|1,0,0]=3 6093 B16R1.6719 CC(C)CCOc1ccc(c(c1)Br)[N+](=O)[O-] 7a_100012356988_100000210626 [0,2,0,0,0,0|1,0,0]=3 6094 B16R1.6719 CC(C)CCOc1ccc(c(c1)Cl)[N+](=O)[O-] 34a_100000746235_100000210312 [0,2,0,0,0,0|1,0,0]=3 6095 B16R1.6719 CC(C)CCOc1ccc(c(c1)Cl)[N+](=O)[O-] 7a_100000746235_100000210626 [0,2,0,0,0,0|1,0,0]=3 6096 B16R1.6719 CC(C)CCOc1ccc(c(c1)F)[N+](=O)[O-] 7a_100000745333_100000210626 [0,2,0,0,0,0|1,0,0]=3 6097 B16R1.6719 CC(C)CCOc1ccc(c(c1)I)[N+](=O)[O-] 7a_100010243554_100000210626 [0,2,0,0,0,0|1,0,0]=3 6098 B16R1.6719 CC(C)CCOc1ccc(c(c1)N)[N+](=O)[O-] 7a_100000729835_100000210626 [0,2,0,0,0,0|1,0,0]=3 6099 B16R1.6719 CC(C)OCOc1ccc(c(c1)Br)[N+](=O)[O-] 34a_100012356988_100000709892 [0,2,0,0,0,0|2,0,0]=4 6100 B16R1.6719 CC(C)OCOc1ccc(c(c1)Cl)[N+](=O)[O-] 34a_100000746235_100000709892 [0,2,0,0,0,0|2,0,0]=4 6101 B16R1.6719 CC(O)CCNc1ccc(c(c1)Br)[N+](=O)[O-] 7a_100000693983_100012276601 [0,2,0,0,0,0|1,0,0]=3 6102 B16R1.6719 CC(O)CCNc1ccc(c(c1)F)[N+](=O)[O-] 34a_100000741728_100012276601 [0,2,0,0,0,0|1,0,0]=3 6103 B16R1.6719 CC(O)CCNc1ccc(c(c1)F)[N+](=O)[O-] 7a_100000741728_100012276601 [0,2,0,0,0,0|1,0,0]=3 6104 B16R1.6719 CC(O)CCOc1ccc(c(c1)Br)[N+](=O)[O-] 34a_100012356988_100012276601 [0,2,0,0,0,0|0,0,0]=2 6105 B16R1.6719 CC(O)CCOc1ccc(c(c1)Br)[N+](=O)[O-] 7a_100012356988_100012276601 [0,2,0,0,0,0|0,0,0]=2 6106 B16R1.6719 CC(O)CCOc1ccc(c(c1)Cl)C(=O)N 34a_100011997949_100012276601 [0,2,0,0,0,0|2,0,0]=4 6107 B16R1.6719 CC(O)CCOc1ccc(c(c1)Cl)C(=O)N 7a_100011997949_100012276601 [0,2,0,0,0,0|2,0,0]=4 6108 B16R1.6719 CC(O)CCOc1ccc(c(c1)Cl)[N+](=O)[O-] 34a_100000746235_100012276601 [0,2,0,0,0,0|0,0,0]=2 6109 B16R1.6719 CC(O)CCOc1ccc(c(c1)Cl)[N+](=O)[O-] 7a_100000746235_100012276601 [0,2,0,0,0,0|0,0,0]=2 6110 B16R1.6719 CC(O)CCOc1ccc(c(c1)F)C(=O)N 34a_200012186767_100012276601 [0,2,0,0,0,0|2,0,0]=4 6111 B16R1.6719 CC(O)CCOc1ccc(c(c1)F)C(=O)N 7a_200012186767_100012276601 [0,2,0,0,0,0|2,0,0]=4 6112 B16R1.6719 CC(O)CCOc1ccc(c(c1)F)[N+](=O)[O-] 7a_100000745333_100012276601 [0,2,0,0,0,0|0,0,0]=2 6113 B16R1.6719 CC(O)CCOc1ccc(c(c1)I)[N+](=O)[O-] 7a_100010243554_100012276601 [0,2,0,0,0,0|0,0,0]=2 6114 B16R1.6719 CC(O)CCOc1ccc(c(c1)N)C(=O)N 34a_100012186684_100012276601 [0,2,0,0,0,0|2,0,0]=4 6115 B16R1.6719 CC(O)CCOc1ccc(c(c1)N)C(=O)N 7a_100012186684_100012276601 [0,2,0,0,0,0|2,0,0]=4 6116 B16R1.6719 CC(O)CCOc1ccc(c(c1)N)[N+](=O)[O-] 7a_100000729835_100012276601 [0,2,0,0,0,0|0,0,0]=2 6117 B16R1.6719 CC(O)CNCc1ccc(c(c1)Br)[N+](=O)[O-] 270004a_100000210904_100009998837 [0,2,0,0,0,0|2,0,0]=4 6118 B16R1.6719 CC(O)CNCc1ccc(c(c1)Cl)[N+](=O)[O-] 270004a_100000210904_100000070945 [0,2,0,0,0,0|2,0,0]=4 6119 B16R1.6719 CC(O)CNCc1ccc(c(c1)F)[N+](=O)[O-] 2230a_100000210904_100000687068 [0,2,0,0,0,0|2,0,0]=4 6120 B16R1.6719 CC(O)CNCc1ccc(c(c1)F)[N+](=O)[O-] 270004a_100000210904_100011934122 [0,2,0,0,0,0|2,0,0]=4 6121 B16R1.6719 CC(O)CNCc1ccc(c(c1)F)[N+](=O)[O-] 34a_100000210904_100000687068 [0,2,0,0,0,0|2,0,0]=4 6122 B16R1.6719 CC(O)COCc1ccc(c(c1)F)[N+](=O)[O-] 7a_100011219895_100011218427 [0,2,0,0,0,0|2,0,0]=4 6123 B16R1.6719 CC(O)CSCc1ccc(c(c1)F)[N+](=O)[O-] 62a_100000687068_100011218427 [0,2,0,0,0,0|2,0,0]=4 6124 B16R1.6719 CN(C)CCOc1ccc(c(c1)Br)[N+](=O)[O-] 7a_100012356988_100000755713 [0,2,0,0,0,0|2,0,0]=4 6125 B16R1.6719 CN(C)CCOc1ccc(c(c1)Cl)[N+](=O)[O-] 7a_100000746235_100000755713 [0,2,0,0,0,0|2,0,0]=4 6126 B16R1.6719 CN(C)CCOc1ccc(c(c1)F)[N+](=O)[O-] 7a_100000745333_100000755713 [0,2,0,0,0,0|2,0,0]=4 6127 B16R1.6719 CN(C)CCOc1ccc(c(c1)I)[N+](=O)[O-] 7a_100010243554_100000755713 [0,2,0,0,0,0|2,0,0]=4 6128 B16R1.6719 CN(C)CCOc1ccc(c(c1)N)[N+](=O)[O-] 7a_100000729835_100000755713 [0,2,0,0,0,0|2,0,0]=4 6129 B16R1.6719 C[C@@H](O)COCc1ccc(c(c1)F)[N+](=O)[O-] 7a_100011219895_100009817552 [0,2,0,0,0,0|2,0,0]=4 6130 B16R1.6719 C[C@@H](O)CSCc1ccc(c(c1)F)[N+](=O)[O-] 62a_100000687068_100009817552 [0,2,0,0,0,0|2,0,0]=4 6131 B16R1.6719 Cc1cc(ccc1[N+](=O)[O-])CNCC(C)O 207a_100000210904_100000050484 [0,2,0,0,0,0|2,0,0]=4 6132 B16R1.6719 Cc1cc(ccc1[N+](=O)[O-])CNCC(C)O 2230a_100000210904_100009816690 [0,2,0,0,0,0|2,0,0]=4 6133 B16R1.6719 Cc1cc(ccc1[N+](=O)[O-])CNCC(C)O 270004a_100000210904_100000050484 [0,2,0,0,0,0|2,0,0]=4 6134 B16R1.6719 Cc1cc(ccc1[N+](=O)[O-])CNCC(C)O 34a_100000210904_100009816690 [0,2,0,0,0,0|2,0,0]=4 6135 B16R1.6719 Cc1cc(ccc1[N+](=O)[O-])COCC(C)O 7a_100000032365_100011218427 [0,2,0,0,0,0|2,0,0]=4 6136 B16R1.6719 Cc1cc(ccc1[N+](=O)[O-])COC[C@@H](C)O 7a_100000032365_100009817552 [0,2,0,0,0,0|2,0,0]=4 6137 B16R1.6719 Cc1cc(ccc1[N+](=O)[O-])NCCC(C)C 34a_100000745639_100000210312 [0,2,0,0,0,0|2,0,0]=4 6138 B16R1.6719 Cc1cc(ccc1[N+](=O)[O-])NCCC(C)C 7a_100000745639_100000210626 [0,2,0,0,0,0|2,0,0]=4 6139 B16R1.6719 Cc1cc(ccc1[N+](=O)[O-])NCCC(C)O 34a_100000745639_100012276601 [0,2,0,0,0,0|1,0,0]=3 6140 B16R1.6719 Cc1cc(ccc1[N+](=O)[O-])NCCC(C)O 7a_100000745639_100012276601 [0,2,0,0,0,0|1,0,0]=3 6141 B16R1.6719 Cc1cc(ccc1[N+](=O)[O-])OCCC(=O)N 34a_100000195451_100000731001 [0,2,0,0,0,0|0,0,2]=4 6142 B16R1.6719 Cc1cc(ccc1[N+](=O)[O-])OCCC(=O)N 7a_100000195451_100000744528 [0,2,0,0,0,0|0,0,2]=4 6143 B16R1.6719 Cc1cc(ccc1[N+](=O)[O-])OCCC(C)C 34a_100000195451_100000210312 [0,2,0,0,0,0|1,0,0]=3 6144 B16R1.6719 Cc1cc(ccc1[N+](=O)[O-])OCCC(C)C 7a_100000195451_100000210626 [0,2,0,0,0,0|1,0,0]=3 6145 B16R1.6719 Cc1cc(ccc1[N+](=O)[O-])OCCC(C)O 34a_100000195451_100012276601 [0,2,0,0,0,0|0,0,0]=2 6146 B16R1.6719 Cc1cc(ccc1[N+](=O)[O-])OCCC(C)O 7a_100000195451_100012276601 [0,2,0,0,0,0|0,0,0]=2 6147 B16R1.6719 Cc1cc(ccc1[N+](=O)[O-])OCCN(C)C 7a_100000195451_100000755713 [0,2,0,0,0,0|2,0,0]=4 6148 B16R1.6719 Cc1cc(ccc1[N+](=O)[O-])OCOC(C)C 34a_100000195451_100000709892 [0,2,0,0,0,0|2,0,0]=4 6149 B16R1.6719 NC(=O)CCOc1ccc(c(c1)Br)[N+](=O)[O-] 34a_100012356988_100000731001 [0,2,0,0,0,0|0,0,2]=4 6150 B16R1.6719 NC(=O)CCOc1ccc(c(c1)Br)[N+](=O)[O-] 7a_100012356988_100000744528 [0,2,0,0,0,0|0,0,2]=4 6151 B16R1.6719 NC(=O)CCOc1ccc(c(c1)Cl)[N+](=O)[O-] 34a_100000746235_100000731001 [0,2,0,0,0,0|0,0,2]=4 6152 B16R1.6719 NC(=O)CCOc1ccc(c(c1)Cl)[N+](=O)[O-] 7a_100000746235_100000744528 [0,2,0,0,0,0|0,0,2]=4 6153 B16R1.6719 NC(=O)CCOc1ccc(c(c1)F)[N+](=O)[O-] 7a_100000745333_100000744528 [0,2,0,0,0,0|0,0,2]=4 6154 B16R1.6719 NC(=O)CCOc1ccc(c(c1)I)[N+](=O)[O-] 7a_100010243554_100000744528 [0,2,0,0,0,0|0,0,2]=4 6155 B16R1.6719 NC(=O)CCOc1ccc(c(c1)N)[N+](=O)[O-] 7a_100000729835_100000744528 [0,2,0,0,0,0|0,0,2]=4 6156 B16R1.12459 CC(C)CC(C)Nc1ccc(cc1)[N+](=O)[O-] 2230a_100015195142_100000731052 [0,2,0,0,0,0|2,0,0]=4 6157 B16R1.12459 CC(C)CC(C)Nc1ccc(cc1)[N+](=O)[O-] 34a_100015195142_100000731052 [0,2,0,0,0,0|2,0,0]=4 6158 B16R1.12459 CC(C)CC(C)Oc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_100000731052 [0,2,0,0,0,0|1,0,0]=3 6159 B16R1.12459 CC(C)CC(C)Oc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_100000731052 [0,2,0,0,0,0|1,0,0]=3 6160 B16R1.12459 CC(C)CC(C)Oc1ccc(nc1)[N+](=O)[O-] 7a_100000060138_100000731052 [0,2,0,0,0,0|2,0,0]=4 6161 B16R1.12459 CC(O)CC(=O)Cc1ccc(cc1)[N+](=O)[O-] 1458a_100000210908_100011218427 [0,2,0,0,0,0|1,0,1]=4 6162 B16R1.12459 CC(O)CN(C)Cc1ccc(cc1)[N+](=O)[O-] 2230a_100000227577_100000181861 [0,2,0,0,0,0|2,0,0]=4 6163 B16R1.12459 CC(O)CN(C)Cc1ccc(cc1)[N+](=O)[O-] 2230a_100015189985_100011218427 [0,2,0,0,0,0|2,0,0]=4 6164 B16R1.12459 CC(O)CN(C)Cc1ccc(cc1)[N+](=O)[O-] 269982a_100000227577_100000184243 [0,2,0,0,0,0|2,0,0]=4 6165 B16R1.12459 CC(O)CN(C)Cc1ccc(cc1)[N+](=O)[O-] 269982a_100015189985_100011218427 [0,2,0,0,0,0|2,0,0]=4 6166 B16R1.12459 CC(O)CN(C)Cc1ccc(cc1)[N+](=O)[O-] 26a_100000227577_100000185810 [0,2,0,0,0,0|2,0,0]=4 6167 B16R1.12459 CC(O)CN(C)Cc1ccc(cc1)[N+](=O)[O-] 270004a_100000227577_100000189386 [0,2,0,0,0,0|2,0,0]=4 6168 B16R1.12459 C[C@@H](O)CC(=O)Cc1ccc(cc1)[N+](=O)[O-] 1458a_100011933948_100000181861 [0,2,0,0,0,0|1,0,1]=4 6169 B16R1.12459 C[C@@H](O)CN(C)Cc1ccc(cc1)[N+](=O)[O-] 2230a_100015189985_100009817552 [0,2,0,0,0,0|2,0,0]=4 6170 B16R1.12459 C[C@@H](O)CN(C)Cc1ccc(cc1)[N+](=O)[O-] 269982a_100015189985_100009817552 [0,2,0,0,0,0|2,0,0]=4 6171 B16R1.1436 C#CCCOc1ccc(c(c1)CO)[N+](=O)[O-] 34a_100000032882_100000688953 [0,2,0,0,0,0|1,0,1]=4 6172 B16R1.1436 C#CCCOc1ccc(c(c1)CO)[N+](=O)[O-] 7a_100000032882_100000688953 [0,2,0,0,0,0|1,0,1]=4 6173 B16R1.1436 C#CCCOc1ccc(c(c1)OC)[N+](=O)[O-] 34a_100000723347_100000688953 [0,2,0,0,0,0|1,0,1]=4 6174 B16R1.1436 C#CCCOc1ccc(c(c1)OC)[N+](=O)[O-] 7a_100000723347_100000688953 [0,2,0,0,0,0|1,0,1]=4 6175 B16R1.1436 C=CCCOc1ccc(c(c1)CO)[N+](=O)[O-] 34a_100000032882_100000754431 [0,2,0,0,0,0|1,0,1]=4 6176 B16R1.1436 C=CCCOc1ccc(c(c1)CO)[N+](=O)[O-] 7a_100000032882_100000754431 [0,2,0,0,0,0|1,0,1]=4 6177 B16R1.1436 C=CCCOc1ccc(c(c1)OC)[N+](=O)[O-] 34a_100000723347_100000754431 [0,2,0,0,0,0|1,0,1]=4 6178 B16R1.1436 C=CCCOc1ccc(c(c1)OC)[N+](=O)[O-] 7a_100000723347_100000754431 [0,2,0,0,0,0|1,0,1]=4 6179 B16R1.1436 CCCCNc1ccc(c(c1)OC)[N+](=O)[O-] 2230a_102125277084_100000210211 [0,2,0,0,0,0|2,0,0]=4 6180 B16R1.1436 CCCCNc1ccc(c(c1)OC)[N+](=O)[O-] 34a_102125277084_100000210210 [0,2,0,0,0,0|2,0,0]=4 6181 B16R1.1436 CCCCOc1ccc(c(c1)CO)[N+](=O)[O-] 34a_100000032882_100000210210 [0,2,0,0,0,0|1,0,0]=3 6182 B16R1.1436 CCCCOc1ccc(c(c1)CO)[N+](=O)[O-] 7a_100000032882_100000210211 [0,2,0,0,0,0|1,0,0]=3 6183 B16R1.1436 CCCCOc1ccc(c(c1)OC)[N+](=O)[O-] 34a_100000723347_100000210210 [0,2,0,0,0,0|1,0,0]=3 6184 B16R1.1436 CCCCOc1ccc(c(c1)OC)[N+](=O)[O-] 7a_100000723347_100000210211 [0,2,0,0,0,0|1,0,0]=3 6185 B16R1.1436 COCCOc1ccc(c(c1)CO)[N+](=O)[O-] 34a_100000032882_100011201679 [0,2,0,0,0,0|2,0,0]=4 6186 B16R1.1436 COCCOc1ccc(c(c1)CO)[N+](=O)[O-] 7a_100000032882_100000233755 [0,2,0,0,0,0|2,0,0]=4 6187 B16R1.1436 COCCOc1ccc(c(c1)OC)[N+](=O)[O-] 34a_100000723347_100011201679 [0,2,0,0,0,0|2,0,0]=4 6188 B16R1.1436 COCCOc1ccc(c(c1)OC)[N+](=O)[O-] 7a_100000723347_100000233755 [0,2,0,0,0,0|2,0,0]=4 6189 B16R1.1436 COc1cc(ccc1C(=O)C)OCCCO 34a_100000116857_100000230001 [0,2,0,0,0,0|2,0,0]=4 6190 B16R1.1436 COc1cc(ccc1C(=O)C)OCCCO 7a_100000116857_100011215043 [0,2,0,0,0,0|2,0,0]=4 6191 B16R1.1436 COc1cc(ccc1[N+](=O)[O-])CNCCO 207a_100000210304_100000696106 [0,2,0,0,0,0|2,0,0]=4 6192 B16R1.1436 COc1cc(ccc1[N+](=O)[O-])CNCCO 270004a_100000210304_100000696106 [0,2,0,0,0,0|2,0,0]=4 6193 B16R1.1436 COc1cc(ccc1[N+](=O)[O-])COCCO 34a_100000708744_100000211926 [0,2,0,0,0,0|2,0,0]=4 6194 B16R1.1436 COc1cc(ccc1[N+](=O)[O-])COCCO 7a_100000708744_100000211926 [0,2,0,0,0,0|2,0,0]=4 6195 B16R1.1436 COc1cc(ccc1[N+](=O)[O-])NCCCF 2230a_102125277084_100011934791 [0,2,0,0,0,0|2,0,0]=4 6196 B16R1.1436 COc1cc(ccc1[N+](=O)[O-])NCCCF 34a_102125277084_100011934791 [0,2,0,0,0,0|2,0,0]=4 6197 B16R1.1436 COc1cc(ccc1[N+](=O)[O-])NCCCO 2230a_102125277084_100000230001 [0,2,0,0,0,0|1,0,0]=3 6198 B16R1.1436 COc1cc(ccc1[N+](=O)[O-])NCCCO 34a_102125277084_100000230001 [0,2,0,0,0,0|1,0,0]=3 6199 B16R1.1436 COc1cc(ccc1[N+](=O)[O-])OCCC#N 7a_100000723347_100000184422 [0,2,0,0,0,0|1,0,1]=4 6200 B16R1.1436 COc1cc(ccc1[N+](=O)[O-])OCCCF 34a_100000723347_100011934791 [0,2,0,0,0,0|1,0,0]=3 6201 B16R1.1436 COc1cc(ccc1[N+](=O)[O-])OCCCF 7a_100000723347_100011934791 [0,2,0,0,0,0|1,0,0]=3 6202 B16R1.1436 COc1cc(ccc1[N+](=O)[O-])OCCCO 34a_100000723347_100000230001 [0,2,0,0,0,0|0,0,0]=2 6203 B16R1.1436 COc1cc(ccc1[N+](=O)[O-])OCCCO 7a_100000723347_100011215043 [0,2,0,0,0,0|0,0,0]=2 6204 B16R1.1436 COc1cc(ccc1[N+](=O)[O-])OCCSC 34a_100000723347_100000212216 [0,2,0,0,0,0|2,0,0]=4 6205 B16R1.1436 COc1cc(ccc1[N+](=O)[O-])OCCSC 7a_100000723347_100000212216 [0,2,0,0,0,0|2,0,0]=4 6206 B16R1.1436 CSCCOc1ccc(c(c1)CO)[N+](=O)[O-] 34a_100000032882_100000212216 [0,2,0,0,0,0|2,0,0]=4 6207 B16R1.1436 CSCCOc1ccc(c(c1)CO)[N+](=O)[O-] 7a_100000032882_100000212216 [0,2,0,0,0,0|2,0,0]=4 6208 B16R1.1436 N#CCCOc1ccc(c(c1)CO)[N+](=O)[O-] 7a_100000032882_100000184422 [0,2,0,0,0,0|1,0,1]=4 6209 B16R1.1436 N#Cc1cc(ccc1[N+](=O)[O-])COCCO 7a_106256037343_100000211926 [0,2,0,0,0,0|2,0,0]=4 6210 B16R1.1436 O=[N+]([O-])c1ccc(cc1CO)OCCCF 34a_100000032882_100011934791 [0,2,0,0,0,0|1,0,0]=3 6211 B16R1.1436 O=[N+]([O-])c1ccc(cc1CO)OCCCF 7a_100000032882_100011934791 [0,2,0,0,0,0|1,0,0]=3 6212 B16R1.1436 O=[N+]([O-])c1ccc(cc1CO)OCCCO 34a_100000032882_100000230001 [0,2,0,0,0,0|0,0,0]=2 6213 B16R1.1436 O=[N+]([O-])c1ccc(cc1CO)OCCCO 7a_100000032882_100011215043 [0,2,0,0,0,0|0,0,0]=2 6214 B16R1.1503 CCCCC(=O)c1ccc(c(c1)C)[N+](=O)[O-] 1458a_100000188653_100000210211 [0,2,0,0,0,0|2,0,0]=4 6215 B16R1.1503 CCCCC(=O)c1ccc(c(c1)O)[N+](=O)[O-] 1458a_100000195568_100000210211 [0,2,0,0,0,0|2,0,0]=4 6216 B16R1.1503 CCCCN(C)c1ccc(c(c1)C)[N+](=O)[O-] 2230a_100000686994_100000210211 [0,2,0,0,0,0|2,0,0]=4 6217 B16R1.1503 CCCCN(C)c1ccc(c(c1)C)[N+](=O)[O-] 269982a_100000686994_100000210211 [0,2,0,0,0,0|2,0,0]=4 6218 B16R1.1503 CCCCN(C)c1ccc(c(c1)C)[N+](=O)[O-] 34a_100000686994_100000210210 [0,2,0,0,0,0|2,0,0]=4 6219 B16R1.1503 Cc1cc(ccc1[N+](=O)[O-])C(=O)CCCF 1458a_100000188653_100011934791 [0,2,0,0,0,0|2,0,0]=4 6220 B16R1.1503 Cc1cc(ccc1[N+](=O)[O-])C(=O)CCCO 1458a_100000188653_100011215043 [0,2,0,0,0,0|1,0,0]=3 6221 B16R1.1503 Cc1cc(ccc1[N+](=O)[O-])C(=O)NCCO 240690a_100000210304_100000188653 [0,2,0,0,0,0|2,0,0]=4 6222 B16R1.1503 Cc1cc(ccc1[N+](=O)[O-])C(=O)NCCO 527a_100000210304_100000188653 [0,2,0,0,0,0|2,0,0]=4 6223 B16R1.1503 Cc1cc(ccc1[N+](=O)[O-])N(C)CCCF 2230a_100000686994_100011934791 [0,2,0,0,0,0|2,0,0]=4 6224 B16R1.1503 Cc1cc(ccc1[N+](=O)[O-])N(C)CCCF 269982a_100000686994_100011934791 [0,2,0,0,0,0|2,0,0]=4 6225 B16R1.1503 Cc1cc(ccc1[N+](=O)[O-])N(C)CCCF 34a_100000686994_100011934791 [0,2,0,0,0,0|2,0,0]=4 6226 B16R1.1503 Cc1cc(ccc1[N+](=O)[O-])N(C)CCCO 2230a_100000686994_100000230001 [0,2,0,0,0,0|1,0,0]=3 6227 B16R1.1503 Cc1cc(ccc1[N+](=O)[O-])N(C)CCCO 269982a_100000686994_100011215043 [0,2,0,0,0,0|1,0,0]=3 6228 B16R1.1503 Cc1cc(ccc1[N+](=O)[O-])N(C)CCCO 34a_100000686994_100000230001 [0,2,0,0,0,0|1,0,0]=3 6229 B16R1.1503 O=C(CCCF)c1ccc(c(c1)O)[N+](=O)[O-] 1458a_100000195568_100011934791 [0,2,0,0,0,0|2,0,0]=4 6230 B16R1.1503 O=C(CCCO)c1ccc(c(c1)O)[N+](=O)[O-] 1458a_100000195568_100011215043 [0,2,0,0,0,0|1,0,0]=3 6231 B16R1.1503 O=C(NCCO)c1ccc(c(c1)Br)[N+](=O)[O-] 240690a_100000210304_100011830427 [0,2,0,0,0,0|2,0,0]=4 6232 B16R1.1503 O=C(NCCO)c1ccc(c(c1)Br)[N+](=O)[O-] 527a_100000210304_100011830427 [0,2,0,0,0,0|2,0,0]=4 6233 B16R1.1503 O=C(NCCO)c1ccc(c(c1)Cl)[N+](=O)[O-] 240690a_100000210304_100000761848 [0,2,0,0,0,0|2,0,0]=4 6234 B16R1.1503 O=C(NCCO)c1ccc(c(c1)Cl)[N+](=O)[O-] 527a_100000210304_100000761848 [0,2,0,0,0,0|2,0,0]=4 6235 B16R1.1503 O=C(NCCO)c1ccc(c(c1)F)[N+](=O)[O-] 240690a_100000210304_100000749741 [0,2,0,0,0,0|2,0,0]=4 6236 B16R1.1503 O=C(NCCO)c1ccc(c(c1)F)[N+](=O)[O-] 527a_100000210304_100000749741 [0,2,0,0,0,0|2,0,0]=4 6237 B16R1.1503 O=C(NCCO)c1ccc(c(c1)O)[N+](=O)[O-] 240690a_100000210304_100000195568 [0,2,0,0,0,0|2,0,0]=4 6238 B16R1.1503 O=C(NCCO)c1ccc(c(c1)O)[N+](=O)[O-] 527a_100000210304_100000195568 [0,2,0,0,0,0|2,0,0]=4 6239 B16R1.1558 CC(=O)c1ccc(cc1Br)OC(C)CCO 34a_100012340537_100009893172 [0,2,0,0,0,0|2,0,0]=4 6240 B16R1.1558 CC(=O)c1ccc(cc1Br)OC(C)CCO 7a_100012340537_100009893172 [0,2,0,0,0,0|2,0,0]=4 6241 B16R1.1558 CC(=O)c1ccc(cc1C)OC(C)CCO 34a_100000702595_100009893172 [0,2,0,0,0,0|2,0,0]=4 6242 B16R1.1558 CC(=O)c1ccc(cc1C)OC(C)CCO 7a_100000702595_100009893172 [0,2,0,0,0,0|2,0,0]=4 6243 B16R1.1558 CC(=O)c1ccc(cc1Cl)OC(C)CCO 34a_100011933989_100009893172 [0,2,0,0,0,0|2,0,0]=4 6244 B16R1.1558 CC(=O)c1ccc(cc1Cl)OC(C)CCO 7a_100011933989_100009893172 [0,2,0,0,0,0|2,0,0]=4 6245 B16R1.1558 CC(=O)c1ccc(cc1F)OC(C)CCO 34a_100000752407_100009893172 [0,2,0,0,0,0|2,0,0]=4 6246 B16R1.1558 CC(=O)c1ccc(cc1F)OC(C)CCO 7a_100000752407_100009893172 [0,2,0,0,0,0|2,0,0]=4 6247 B16R1.1558 CC(CC#N)Oc1ccc(c(c1)Br)[N+](=O)[O-] 7a_100012356988_100009813641 [0,2,0,0,0,0|1,0,1]=4 6248 B16R1.1558 CC(CC#N)Oc1ccc(c(c1)Cl)[N+](=O)[O-] 7a_100000746235_100009813641 [0,2,0,0,0,0|1,0,1]=4 6249 B16R1.1558 CC(CC#N)Oc1ccc(c(c1)F)[N+](=O)[O-] 7a_100000745333_100009813641 [0,2,0,0,0,0|1,0,1]=4 6250 B16R1.1558 CC(CC#N)Oc1ccc(c(c1)I)[N+](=O)[O-] 7a_100010243554_100009813641 [0,2,0,0,0,0|1,0,1]=4 6251 B16R1.1558 CC(CC#N)Oc1ccc(c(c1)N)[N+](=O)[O-] 7a_100000729835_100009813641 [0,2,0,0,0,0|1,0,1]=4 6252 B16R1.1558 CC(CCO)Nc1ccc(c(c1)Br)[N+](=O)[O-] 7a_100000693983_100009893172 [0,2,0,0,0,0|1,0,0]=3 6253 B16R1.1558 CC(CCO)Nc1ccc(c(c1)F)[N+](=O)[O-] 34a_100000741728_100009893172 [0,2,0,0,0,0|1,0,0]=3 6254 B16R1.1558 CC(CCO)Nc1ccc(c(c1)F)[N+](=O)[O-] 7a_100000741728_100009893172 [0,2,0,0,0,0|1,0,0]=3 6255 B16R1.1558 CC(CCO)Oc1ccc(c(c1)Br)[N+](=O)[O-] 34a_100012356988_100009893172 [0,2,0,0,0,0|0,0,0]=2 6256 B16R1.1558 CC(CCO)Oc1ccc(c(c1)Br)[N+](=O)[O-] 7a_100012356988_100009893172 [0,2,0,0,0,0|0,0,0]=2 6257 B16R1.1558 CC(CCO)Oc1ccc(c(c1)Cl)C(=O)N 34a_100011997949_100009893172 [0,2,0,0,0,0|2,0,0]=4 6258 B16R1.1558 CC(CCO)Oc1ccc(c(c1)Cl)C(=O)N 7a_100011997949_100009893172 [0,2,0,0,0,0|2,0,0]=4 6259 B16R1.1558 CC(CCO)Oc1ccc(c(c1)Cl)[N+](=O)[O-] 34a_100000746235_100009893172 [0,2,0,0,0,0|0,0,0]=2 6260 B16R1.1558 CC(CCO)Oc1ccc(c(c1)Cl)[N+](=O)[O-] 7a_100000746235_100009893172 [0,2,0,0,0,0|0,0,0]=2 6261 B16R1.1558 CC(CCO)Oc1ccc(c(c1)F)C(=O)N 34a_200012186767_100009893172 [0,2,0,0,0,0|2,0,0]=4 6262 B16R1.1558 CC(CCO)Oc1ccc(c(c1)F)C(=O)N 7a_200012186767_100009893172 [0,2,0,0,0,0|2,0,0]=4 6263 B16R1.1558 CC(CCO)Oc1ccc(c(c1)F)[N+](=O)[O-] 7a_100000745333_100009893172 [0,2,0,0,0,0|0,0,0]=2 6264 B16R1.1558 CC(CCO)Oc1ccc(c(c1)I)[N+](=O)[O-] 7a_100010243554_100009893172 [0,2,0,0,0,0|0,0,0]=2 6265 B16R1.1558 CC(CCO)Oc1ccc(c(c1)N)C(=O)N 34a_100012186684_100009893172 [0,2,0,0,0,0|2,0,0]=4 6266 B16R1.1558 CC(CCO)Oc1ccc(c(c1)N)C(=O)N 7a_100012186684_100009893172 [0,2,0,0,0,0|2,0,0]=4 6267 B16R1.1558 CC(CCO)Oc1ccc(c(c1)N)[N+](=O)[O-] 7a_100000729835_100009893172 [0,2,0,0,0,0|0,0,0]=2 6268 B16R1.1558 CCCC(C)Nc1ccc(c(c1)Br)[N+](=O)[O-] 7a_100000693983_100000766640 [0,2,0,0,0,0|2,0,0]=4 6269 B16R1.1558 CCCC(C)Nc1ccc(c(c1)C)[N+](=O)[O-] 34a_100000745639_100000766640 [0,2,0,0,0,0|2,0,0]=4 6270 B16R1.1558 CCCC(C)Nc1ccc(c(c1)C)[N+](=O)[O-] 7a_100000745639_100000766640 [0,2,0,0,0,0|2,0,0]=4 6271 B16R1.1558 CCCC(C)Nc1ccc(c(c1)F)[N+](=O)[O-] 34a_100000741728_100000766640 [0,2,0,0,0,0|2,0,0]=4 6272 B16R1.1558 CCCC(C)Nc1ccc(c(c1)F)[N+](=O)[O-] 7a_100000741728_100000766640 [0,2,0,0,0,0|2,0,0]=4 6273 B16R1.1558 CCCC(C)Oc1ccc(c(c1)Br)[N+](=O)[O-] 34a_100012356988_100000766640 [0,2,0,0,0,0|1,0,0]=3 6274 B16R1.1558 CCCC(C)Oc1ccc(c(c1)Br)[N+](=O)[O-] 7a_100012356988_100000766640 [0,2,0,0,0,0|1,0,0]=3 6275 B16R1.1558 CCCC(C)Oc1ccc(c(c1)C)[N+](=O)[O-] 34a_100000195451_100000766640 [0,2,0,0,0,0|1,0,0]=3 6276 B16R1.1558 CCCC(C)Oc1ccc(c(c1)C)[N+](=O)[O-] 7a_100000195451_100000766640 [0,2,0,0,0,0|1,0,0]=3 6277 B16R1.1558 CCCC(C)Oc1ccc(c(c1)Cl)[N+](=O)[O-] 34a_100000746235_100000766640 [0,2,0,0,0,0|1,0,0]=3 6278 B16R1.1558 CCCC(C)Oc1ccc(c(c1)Cl)[N+](=O)[O-] 7a_100000746235_100000766640 [0,2,0,0,0,0|1,0,0]=3 6279 B16R1.1558 CCCC(C)Oc1ccc(c(c1)F)[N+](=O)[O-] 7a_100000745333_100000766640 [0,2,0,0,0,0|1,0,0]=3 6280 B16R1.1558 CCCC(C)Oc1ccc(c(c1)I)[N+](=O)[O-] 7a_100010243554_100000766640 [0,2,0,0,0,0|1,0,0]=3 6281 B16R1.1558 CCCC(C)Oc1ccc(c(c1)N)[N+](=O)[O-] 7a_100000729835_100000766640 [0,2,0,0,0,0|1,0,0]=3 6282 B16R1.1558 CN(CCO)Cc1ccc(c(c1)Br)[N+](=O)[O-] 26a_100000210263_100012356988 [0,2,0,0,0,0|2,0,0]=4 6283 B16R1.1558 CN(CCO)Cc1ccc(c(c1)Br)[N+](=O)[O-] 270004a_100000210263_100009998837 [0,2,0,0,0,0|2,0,0]=4 6284 B16R1.1558 CN(CCO)Cc1ccc(c(c1)Cl)[N+](=O)[O-] 26a_100000210263_100000746235 [0,2,0,0,0,0|2,0,0]=4 6285 B16R1.1558 CN(CCO)Cc1ccc(c(c1)Cl)[N+](=O)[O-] 270004a_100000210263_100000070945 [0,2,0,0,0,0|2,0,0]=4 6286 B16R1.1558 CN(CCO)Cc1ccc(c(c1)F)[N+](=O)[O-] 2230a_100000210263_100000687068 [0,2,0,0,0,0|2,0,0]=4 6287 B16R1.1558 CN(CCO)Cc1ccc(c(c1)F)[N+](=O)[O-] 269982a_100000210263_100000687068 [0,2,0,0,0,0|2,0,0]=4 6288 B16R1.1558 CN(CCO)Cc1ccc(c(c1)F)[N+](=O)[O-] 270004a_100000210263_100011934122 [0,2,0,0,0,0|2,0,0]=4 6289 B16R1.1558 COCC(C)Oc1ccc(c(c1)Br)[N+](=O)[O-] 34a_100012356988_100000765312 [0,2,0,0,0,0|2,0,0]=4 6290 B16R1.1558 COCC(C)Oc1ccc(c(c1)Br)[N+](=O)[O-] 7a_100012356988_100000765312 [0,2,0,0,0,0|2,0,0]=4 6291 B16R1.1558 COCC(C)Oc1ccc(c(c1)C)[N+](=O)[O-] 34a_100000195451_100000765312 [0,2,0,0,0,0|2,0,0]=4 6292 B16R1.1558 COCC(C)Oc1ccc(c(c1)C)[N+](=O)[O-] 7a_100000195451_100000765312 [0,2,0,0,0,0|2,0,0]=4 6293 B16R1.1558 COCC(C)Oc1ccc(c(c1)Cl)[N+](=O)[O-] 34a_100000746235_100000765312 [0,2,0,0,0,0|2,0,0]=4 6294 B16R1.1558 COCC(C)Oc1ccc(c(c1)Cl)[N+](=O)[O-] 7a_100000746235_100000765312 [0,2,0,0,0,0|2,0,0]=4 6295 B16R1.1558 COCC(C)Oc1ccc(c(c1)F)[N+](=O)[O-] 7a_100000745333_100000765312 [0,2,0,0,0,0|2,0,0]=4 6296 B16R1.1558 COCC(C)Oc1ccc(c(c1)I)[N+](=O)[O-] 7a_100010243554_100000765312 [0,2,0,0,0,0|2,0,0]=4 6297 B16R1.1558 COCC(C)Oc1ccc(c(c1)N)[N+](=O)[O-] 7a_100000729835_100000765312 [0,2,0,0,0,0|2,0,0]=4 6298 B16R1.1558 Cc1cc(ccc1[N+](=O)[O-])CC(=O)CCO 1458a_100011216618_100009816690 [0,2,0,0,0,0|1,0,1]=4 6299 B16R1.1558 Cc1cc(ccc1[N+](=O)[O-])CC(=O)CCO 1458a_100011935184_100000211926 [0,2,0,0,0,0|1,0,1]=4 6300 B16R1.1558 Cc1cc(ccc1[N+](=O)[O-])CN(C)CCO 2230a_100000210263_100009816690 [0,2,0,0,0,0|2,0,0]=4 6301 B16R1.1558 Cc1cc(ccc1[N+](=O)[O-])CN(C)CCO 269982a_100000210263_100009816690 [0,2,0,0,0,0|2,0,0]=4 6302 B16R1.1558 Cc1cc(ccc1[N+](=O)[O-])CN(C)CCO 270004a_100000210263_100000050484 [0,2,0,0,0,0|2,0,0]=4 6303 B16R1.1558 Cc1cc(ccc1[N+](=O)[O-])NC(=O)CCO 22a_100000745639_100011216618 [0,2,0,0,0,0|1,0,1]=4 6304 B16R1.1558 Cc1cc(ccc1[N+](=O)[O-])NC(C)CCO 34a_100000745639_100009893172 [0,2,0,0,0,0|1,0,0]=3 6305 B16R1.1558 Cc1cc(ccc1[N+](=O)[O-])NC(C)CCO 7a_100000745639_100009893172 [0,2,0,0,0,0|1,0,0]=3 6306 B16R1.1558 Cc1cc(ccc1[N+](=O)[O-])OC(C)CC#N 7a_100000195451_100009813641 [0,2,0,0,0,0|1,0,1]=4 6307 B16R1.1558 Cc1cc(ccc1[N+](=O)[O-])OC(C)CCO 34a_100000195451_100009893172 [0,2,0,0,0,0|0,0,0]=2 6308 B16R1.1558 Cc1cc(ccc1[N+](=O)[O-])OC(C)CCO 7a_100000195451_100009893172 [0,2,0,0,0,0|0,0,0]=2 6309 B16R1.1558 O=C(CCO)Cc1ccc(c(c1)Br)[N+](=O)[O-] 1458a_100010245527_100000211926 [0,2,0,0,0,0|1,0,1]=4 6310 B16R1.1558 O=C(CCO)Cc1ccc(c(c1)F)[N+](=O)[O-] 1458a_100011216618_100000687068 [0,2,0,0,0,0|1,0,1]=4 6311 B16R1.1558 O=C(CCO)Cc1ccc(c(c1)O)[N+](=O)[O-] 1458a_100009873053_100000211926 [0,2,0,0,0,0|1,0,1]=4 6312 B16R1.4981 C#CCCOc1cc(c(c(c1)C)[N+](=O)[O-])C 34a_100012186654_100000688953 [0,2,0,0,0,0|1,0,1]=4 6313 B16R1.4981 C#CCCOc1cc(c(c(c1)C)[N+](=O)[O-])C 7a_100012186654_100000688953 [0,2,0,0,0,0|1,0,1]=4 6314 B16R1.4981 C=CCCOc1cc(c(c(c1)C)[N+](=O)[O-])C 34a_100012186654_100000754431 [0,2,0,0,0,0|1,0,1]=4 6315 B16R1.4981 C=CCCOc1cc(c(c(c1)C)[N+](=O)[O-])C 7a_100012186654_100000754431 [0,2,0,0,0,0|1,0,1]=4 6316 B16R1.4981 CCCCNc1cc(c(c(c1)F)[N+](=O)[O-])F 34a_200000043003_100000210210 [0,2,0,0,0,0|2,0,0]=4 6317 B16R1.4981 CCCCNc1cc(c(c(c1)F)[N+](=O)[O-])F 7a_200000043003_100000210211 [0,2,0,0,0,0|2,0,0]=4 6318 B16R1.4981 CCCCOc1cc(c(c(c1)C)[N+](=O)[O-])C 34a_100012186654_100000210210 [0,2,0,0,0,0|1,0,0]=3 6319 B16R1.4981 CCCCOc1cc(c(c(c1)C)[N+](=O)[O-])C 7a_100012186654_100000210211 [0,2,0,0,0,0|1,0,0]=3 6320 B16R1.4981 COCCOc1cc(c(c(c1)C)[N+](=O)[O-])C 34a_100012186654_100011201679 [0,2,0,0,0,0|2,0,0]=4 6321 B16R1.4981 COCCOc1cc(c(c(c1)C)[N+](=O)[O-])C 7a_100012186654_100000233755 [0,2,0,0,0,0|2,0,0]=4 6322 B16R1.4981 CSCCOc1cc(c(c(c1)C)[N+](=O)[O-])C 34a_100012186654_100000212216 [0,2,0,0,0,0|2,0,0]=4 6323 B16R1.4981 CSCCOc1cc(c(c(c1)C)[N+](=O)[O-])C 7a_100012186654_100000212216 [0,2,0,0,0,0|2,0,0]=4 6324 B16R1.4981 Cc1cc(cc(c1[N+](=O)[O-])C)OCCC#N 7a_100012186654_100000184422 [0,2,0,0,0,0|1,0,1]=4 6325 B16R1.4981 Cc1cc(cc(c1[N+](=O)[O-])C)OCCCF 34a_100012186654_100011934791 [0,2,0,0,0,0|1,0,0]=3 6326 B16R1.4981 Cc1cc(cc(c1[N+](=O)[O-])C)OCCCF 7a_100012186654_100011934791 [0,2,0,0,0,0|1,0,0]=3 6327 B16R1.4981 Cc1cc(cc(c1[N+](=O)[O-])C)OCCCO 34a_100012186654_100000230001 [0,2,0,0,0,0|0,0,0]=2 6328 B16R1.4981 Cc1cc(cc(c1[N+](=O)[O-])C)OCCCO 7a_100012186654_100011215043 [0,2,0,0,0,0|0,0,0]=2 6329 B16R1.4981 O=[N+]([O-])c1c(cc(cc1F)COCCO)F 7a_100000109595_100000211926 [0,2,0,0,0,0|2,0,0]=4 6330 B16R1.4981 O=[N+]([O-])c1c(cc(cc1F)NCCCF)F 34a_200000043003_100011934791 [0,2,0,0,0,0|2,0,0]=4 6331 B16R1.4981 O=[N+]([O-])c1c(cc(cc1F)NCCCF)F 7a_200000043003_100011934791 [0,2,0,0,0,0|2,0,0]=4 6332 B16R1.4981 O=[N+]([O-])c1c(cc(cc1F)NCCCO)F 34a_200000043003_100000230001 [0,2,0,0,0,0|1,0,0]=3 6333 B16R1.4981 O=[N+]([O-])c1c(cc(cc1F)NCCCO)F 7a_200000043003_100011215043 [0,2,0,0,0,0|1,0,0]=3 6334 B16R1.3847 CCCCN(CC)c1ccc(cc1)[N+](=O)[O-] 2230a_100000156571_100000210211 [0,2,0,0,0,0|2,0,0]=4 6335 B16R1.3847 CCCCN(CC)c1ccc(cc1)[N+](=O)[O-] 2230a_200000156419_100000210202 [0,2,0,0,0,0|2,0,0]=4 6336 B16R1.3847 CCCCN(CC)c1ccc(cc1)[N+](=O)[O-] 269982a_100000156571_100000210211 [0,2,0,0,0,0|2,0,0]=4 6337 B16R1.3847 CCCCN(CC)c1ccc(cc1)[N+](=O)[O-] 269982a_200000156419_100000204670 [0,2,0,0,0,0|2,0,0]=4 6338 B16R1.3847 CCCCN(CC)c1ccc(cc1)[N+](=O)[O-] 34a_100000156571_100000210210 [0,2,0,0,0,0|2,0,0]=4 6339 B16R1.3847 CCCCN(CC)c1ccc(cc1)[N+](=O)[O-] 34a_200000156419_100000210202 [0,2,0,0,0,0|2,0,0]=4 6340 B16R1.3847 CCCCN(CC)c1ccc(cc1)[N+](=O)[O-] 7a_200000156419_100000210202 [0,2,0,0,0,0|2,0,0]=4 6341 B16R1.3847 CCCCN(CF)c1ccc(cc1)[N+](=O)[O-] 269982a_200000156419_100015361967 [0,2,0,0,0,0|2,0,0]=4 6342 B16R1.3847 CCCCN(CF)c1ccc(cc1)[N+](=O)[O-] 34a_200000156419_100015361967 [0,2,0,0,0,0|2,0,0]=4 6343 B16R1.3847 CCCCN(CF)c1ccc(cc1)[N+](=O)[O-] 7a_200000156419_100015361967 [0,2,0,0,0,0|2,0,0]=4 6344 B16R1.3847 CCN(CCCF)c1ccc(cc1)[N+](=O)[O-] 2230a_100000156571_100011934791 [0,2,0,0,0,0|2,0,0]=4 6345 B16R1.3847 CCN(CCCF)c1ccc(cc1)[N+](=O)[O-] 269982a_100000156571_100011934791 [0,2,0,0,0,0|2,0,0]=4 6346 B16R1.3847 CCN(CCCF)c1ccc(cc1)[N+](=O)[O-] 34a_100000156571_100011934791 [0,2,0,0,0,0|2,0,0]=4 6347 B16R1.3847 CCN(CCCO)c1ccc(cc1)[N+](=O)[O-] 2230a_100000156571_100000230001 [0,2,0,0,0,0|1,0,0]=3 6348 B16R1.3847 CCN(CCCO)c1ccc(cc1)[N+](=O)[O-] 2230a_200000156464_100000210202 [0,2,0,0,0,0|1,0,0]=3 6349 B16R1.3847 CCN(CCCO)c1ccc(cc1)[N+](=O)[O-] 269982a_100000156571_100011215043 [0,2,0,0,0,0|1,0,0]=3 6350 B16R1.3847 CCN(CCCO)c1ccc(cc1)[N+](=O)[O-] 269982a_200000156464_100000204670 [0,2,0,0,0,0|1,0,0]=3 6351 B16R1.3847 CCN(CCCO)c1ccc(cc1)[N+](=O)[O-] 34a_100000156571_100000230001 [0,2,0,0,0,0|1,0,0]=3 6352 B16R1.3847 CCN(CCCO)c1ccc(cc1)[N+](=O)[O-] 34a_200000156464_100000210202 [0,2,0,0,0,0|1,0,0]=3 6353 B16R1.3847 O=[N+]([O-])c1ccc(cc1)N(CF)CCCO 269982a_200000156464_100015361967 [0,2,0,0,0,0|1,0,0]=3 6354 B16R1.3847 O=[N+]([O-])c1ccc(cc1)N(CF)CCCO 34a_200000156464_100015361967 [0,2,0,0,0,0|1,0,0]=3 6355 B16R1.4565 CC(C(=O)CCO)c1ccc(cc1)[N+](=O)[O-] 1458a_100011215393_100000211926 [0,2,0,0,0,0|1,0,1]=4 6356 B16R1.4565 CC(C(=O)CCO)c1ccc(cc1)[N+](=O)[O-] 1458a_100011216618_100000684656 [0,2,0,0,0,0|1,0,1]=4 6357 B16R1.4565 CC(CCO)C(=O)c1ccc(cc1)[N+](=O)[O-] 1458a_100000185811_100009893172 [0,2,0,0,0,0|1,0,0]=3 6358 B16R1.4565 CC(CCO)N(C)c1ccc(cc1)[N+](=O)[O-] 2230a_100000156523_100009893172 [0,2,0,0,0,0|1,0,0]=3 6359 B16R1.4565 CC(CCO)N(C)c1ccc(cc1)[N+](=O)[O-] 269982a_100000156523_100009893172 [0,2,0,0,0,0|1,0,0]=3 6360 B16R1.4565 CC(CCO)N(C)c1ccc(cc1)[N+](=O)[O-] 34a_100000156523_100009893172 [0,2,0,0,0,0|1,0,0]=3 6361 B16R1.4565 CC(c1ccc(cc1)[N+](=O)[O-])N(C)CCO 2230a_100000210263_100000684656 [0,2,0,0,0,0|2,0,0]=4 6362 B16R1.4565 CC(c1ccc(cc1)[N+](=O)[O-])N(C)CCO 269982a_100000210263_100000684656 [0,2,0,0,0,0|2,0,0]=4 6363 B16R1.4565 CCCC(C)C(=O)c1ccc(cc1)[N+](=O)[O-] 1458a_100000185811_100000766640 [0,2,0,0,0,0|2,0,0]=4 6364 B16R1.4565 CCCC(C)N(C)c1ccc(cc1)[N+](=O)[O-] 2230a_100000156523_100000766640 [0,2,0,0,0,0|2,0,0]=4 6365 B16R1.4565 CCCC(C)N(C)c1ccc(cc1)[N+](=O)[O-] 269982a_100000156523_100000766640 [0,2,0,0,0,0|2,0,0]=4 6366 B16R1.4565 CCCC(C)N(C)c1ccc(cc1)[N+](=O)[O-] 34a_100000156523_100000766640 [0,2,0,0,0,0|2,0,0]=4 6367 B16R1.4565 CN(CCO)C(=O)c1ccc(cc1)[N+](=O)[O-] 240690a_100000210263_100000185811 [0,2,0,0,0,0|2,0,0]=4 6368 B16R1.4565 CN(CCO)C(=O)c1ccc(cc1)[N+](=O)[O-] 527a_100000210263_100000185811 [0,2,0,0,0,0|2,0,0]=4 6369 B16R1.6758 O=[N+]([O-])c1ccc(cc1)S(=O)(=O)NCCO 270084a_100000210304_100000209996 [0,2,0,0,0,0|1,1,0]=4 6370 B16R1.6758 O=[N+]([O-])c1ccc(cc1)S(=O)(=O)NCCO 274078a_100000210304_100000209996 [0,2,0,0,0,0|1,1,0]=4 6371 B16R1.6758 O=[N+]([O-])c1ccc(cc1)S(=O)(=O)NCCO 40a_100000210304_100000032944 [0,2,0,0,0,0|1,1,0]=4 6372 B16R1.2317 CCCC(CC)Oc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_100011219200 [0,2,0,0,0,0|1,0,0]=3 6373 B16R1.2317 CCCC(CC)Oc1ccc(nc1)[N+](=O)[O-] 7a_100000060138_100011219200 [0,2,0,0,0,0|2,0,0]=4 6374 B16R1.2317 CCN(CCO)Cc1ccc(cc1)[N+](=O)[O-] 2230a_100000210973_100000181861 [0,2,0,0,0,0|2,0,0]=4 6375 B16R1.2317 CCN(CCO)Cc1ccc(cc1)[N+](=O)[O-] 2230a_100103154555_100000211926 [0,2,0,0,0,0|2,0,0]=4 6376 B16R1.2317 CCN(CCO)Cc1ccc(cc1)[N+](=O)[O-] 269982a_100000210973_100000184243 [0,2,0,0,0,0|2,0,0]=4 6377 B16R1.2317 CCN(CCO)Cc1ccc(cc1)[N+](=O)[O-] 269982a_100103154555_100000211926 [0,2,0,0,0,0|2,0,0]=4 6378 B16R1.2317 CCN(CCO)Cc1ccc(cc1)[N+](=O)[O-] 26a_100000210973_100000185810 [0,2,0,0,0,0|2,0,0]=4 6379 B16R1.2317 CCN(CCO)Cc1ccc(cc1)[N+](=O)[O-] 270004a_100000210973_100000189386 [0,2,0,0,0,0|2,0,0]=4 6380 B16R1.61942 CCNC(F)(F)Oc1ccc(cc1)[N+](=O)[O-] 2230a_100015525214_100000023797 [0,2,0,0,0,0|2,0,0]=4 6381 B14R2.781 CC(=O)c1ccc2c(c1)CCCO2 1458a_100011398765_200000210301 [1,0,0,1,0,0|2,0,0]=4 6382 B14R2.781 CC(=O)c1ccc2c(c1)OCCO2 1458a_100000182659_200000210301 [1,0,0,1,0,0|2,0,0]=4 6383 B14R2.781 [13CH3]C(=O)c1ccc2c(c1)CCCO2 1458a_100011398765_200025704644 [1,0,0,1,0,0|2,0,0]=4 6384 B14R2.781 [13CH3]C(=O)c1ccc2c(c1)OCCO2 1458a_100000182659_200025704644 [1,0,0,1,0,0|2,0,0]=4 6385 B14R2.9474 CC(=O)c1ccc(cc1)OC2CC2 34a_100000185113_100000211595 [1,0,0,1,0,0|2,0,0]=4 6386 B14R2.9474 CS(=O)c1ccc(cc1)OC2CC2 34a_200000064373_100000211595 [1,0,0,1,0,0|2,0,0]=4 6387 B14R2.9474 NC(=O)c1ccc(cc1)OC2CC2 34a_100000746352_100000211595 [1,0,0,1,0,0|2,0,0]=4 6388 B14R2.9474 O=[N+]([O-])c1ccc(cc1)NC2CC2 34a_100015195142_100000211595 [1,0,0,1,0,0|1,0,0]=3 6389 B14R2.9474 O=[N+]([O-])c1ccc(cc1)OC2CC2 34a_100000185810_100000211595 [1,0,0,1,0,0|0,0,0]=2 6390 B14R2.142 C=Cc1ccc2c(c1)C(CCO2)O 271570a_100011290941_100000760992 [1,0,0,1,0,0|2,0,0]=4 6391 B14R2.142 CSc1ccc2c(c1)C(CCO2)O 62a_100000760992_200000210301 [1,0,0,1,0,0|2,0,0]=4 6392 B14R2.142 CSc1ccc2c(c1)C(CCO2)O 62a_200000210301_100000760992 [1,0,0,1,0,0|2,0,0]=4 6393 B14R2.142 [13CH3]Sc1ccc2c(c1)C(CCO2)O 62a_100000760992_200025704644 [1,0,0,1,0,0|2,0,0]=4 6394 B14R2.142 [13CH3]Sc1ccc2c(c1)C(CCO2)O 62a_200025704644_100000760992 [1,0,0,1,0,0|2,0,0]=4 6395 B14R2.328 C=Cc1ccc(cc1)OCC2CO2 34a_100000189437_102125554688 [1,0,0,1,0,0|2,0,0]=4 6396 B14R2.328 C=Cc1ccc(cc1)OCC2CO2 7a_100000189437_102125554688 [1,0,0,1,0,0|2,0,0]=4 6397 B14R2.328 C=Cc1ccc(cc1)OC[C@@H]2CO2 7a_100000189437_100000745022 [1,0,0,1,0,0|2,0,0]=4 6398 B14R2.328 CCc1ccc(cc1)OCC2CO2 34a_100000211359_102125554688 [1,0,0,1,0,0|2,0,0]=4 6399 B14R2.328 CCc1ccc(cc1)OCC2CO2 7a_100000211359_102125554688 [1,0,0,1,0,0|2,0,0]=4 6400 B14R2.328 CCc1ccc(cc1)OC[C@@H]2CO2 7a_100000211359_100000745022 [1,0,0,1,0,0|2,0,0]=4 6401 B14R2.328 CNc1ccc(cc1)OCC2CO2 34a_100000182112_102125554688 [1,0,0,1,0,0|1,0,1]=4 6402 B14R2.328 COc1ccc(cc1)OCC2CO2 34a_100000210503_102125554688 [1,0,0,1,0,0|2,0,0]=4 6403 B14R2.328 CSc1ccc(cc1)OCC2CO2 34a_100000211864_102125554688 [1,0,0,1,0,0|2,0,0]=4 6404 B14R2.328 N#Cc1ccc(cc1)OCC2CO2 34a_100000210344_102125554688 [1,0,0,1,0,0|2,0,0]=4 6405 B14R2.328 N#Cc1ccc(cc1)OCC2CO2 7a_100000210344_102125554688 [1,0,0,1,0,0|2,0,0]=4 6406 B14R2.328 N#Cc1ccc(cc1)OC[C@@H]2CO2 7a_100000210344_100000745022 [1,0,0,1,0,0|2,0,0]=4 6407 B14R2.328 NCc1ccc(cc1)OCC2CO2 34a_100000185549_102125554688 [1,0,0,1,0,0|2,0,0]=4 6408 B14R2.328 O=Cc1ccc(cc1)SCC2CO2 62a_100000188517_102125554688 [1,0,0,1,0,0|1,1,0]=4 6409 B14R2.328 O=Cc1ccc(cc1)SCC2CO2 62a_102125554688_100000188517 [1,0,0,1,0,0|1,1,0]=4 6410 B14R2.328 O=Cc1ccc(cc1)SC[C@@H]2CO2 62a_100000188517_100000745022 [1,0,0,1,0,0|1,1,0]=4 6411 B14R2.328 O=Cc1ccc(cc1)SC[C@@H]2CO2 62a_100000745022_100000188517 [1,0,0,1,0,0|1,1,0]=4 6412 B14R2.328 OCc1ccc(cc1)OCC2CO2 34a_100000211755_102125554688 [1,0,0,1,0,0|1,0,1]=4 6413 B14R2.2400 C=Cc1ccc2c(c1)OCCCO2 271570a_100011290941_100000739260 [1,0,0,1,0,0|2,0,0]=4 6414 B14R2.2400 CNc1ccc2c(c1)OCCCO2 2230a_100000181267_200000210301 [1,0,0,1,0,0|1,0,1]=4 6415 B14R2.2400 CNc1ccc2c(c1)OCCCO2 34a_100000181267_200000210301 [1,0,0,1,0,0|1,0,1]=4 6416 B14R2.2400 CSc1ccc2c(c1)OCCCO2 62a_100000739260_200000210301 [1,0,0,1,0,0|2,0,0]=4 6417 B14R2.2400 CSc1ccc2c(c1)OCCCO2 62a_200000210301_100000739260 [1,0,0,1,0,0|2,0,0]=4 6418 B14R2.2400 [13CH3]Nc1ccc2c(c1)OCCCO2 2230a_100000181267_200025704644 [1,0,0,1,0,0|1,0,1]=4 6419 B14R2.2400 [13CH3]Nc1ccc2c(c1)OCCCO2 34a_100000181267_200025704644 [1,0,0,1,0,0|1,0,1]=4 6420 B14R2.2400 [13CH3]Sc1ccc2c(c1)OCCCO2 62a_100000739260_200025704644 [1,0,0,1,0,0|2,0,0]=4 6421 B14R2.2400 [13CH3]Sc1ccc2c(c1)OCCCO2 62a_200025704644_100000739260 [1,0,0,1,0,0|2,0,0]=4 6422 B16R2.4322 O=C1Cc2cc(ccc2O1)OCCCO 34a_100000035078_100000230001 [0,0,0,1,0,1|2,0,0]=4 6423 B16R2.4322 O=C1Cc2cc(ccc2O1)OCCCO 7a_100000035078_100011215043 [0,0,0,1,0,1|2,0,0]=4 6424 B16R2.4322 O=c1[nH]c2ccc(cc2o1)OCCCO 7a_200000068749_100011215043 [0,0,0,1,0,1|1,0,1]=4 6425 B16R2.34961 CC(=O)Cc1ccc(cc1)OCC2CO2 34a_100011218180_102125554688 [0,0,0,1,0,1|2,0,0]=4 6426 B16R2.34961 CC(=O)Cc1ccc(cc1)OCC2CO2 7a_100011218180_102125554688 [0,0,0,1,0,1|2,0,0]=4 6427 B16R2.34961 CC(=O)Cc1ccc(cc1)OC[C@@H]2CO2 7a_100011218180_100000745022 [0,0,0,1,0,1|2,0,0]=4 6428 B16R2.34961 CC(=O)Nc1ccc(cc1)OCC2CO2 34a_100000184395_102125554688 [0,0,0,1,0,1|2,0,0]=4 6429 B16R2.34961 CC(=O)Nc1ccc(cc1)OCC2CO2 7a_100000184395_102125554688 [0,0,0,1,0,1|2,0,0]=4 6430 B16R2.34961 CC(=O)Nc1ccc(cc1)OC[C@@H]2CO2 7a_100000184395_100000745022 [0,0,0,1,0,1|2,0,0]=4 6431 B16R2.34961 NC(=O)Cc1ccc(cc1)OCC2CO2 34a_100000020825_102125554688 [0,0,0,1,0,1|2,0,0]=4 6432 B16R2.180342 CC(=O)Cc1ccc2c(c1)OCCCO2 1458a_100000070787_100000742768 [0,0,0,1,0,1|2,0,0]=4 6433 B16R2.180342 CC(=O)Nc1ccc2c(c1)OCCCO2 11a_100000181267_100015343762 [0,0,0,1,0,1|2,0,0]=4 6434 B16R2.180342 CC(=O)Nc1ccc2c(c1)OCCCO2 1626a_100000181267_100015343762 [0,0,0,1,0,1|2,0,0]=4 6435 B16R2.180342 CC(=O)Nc1ccc2c(c1)OCCCO2 22a_100000181267_100000070787 [0,0,0,1,0,1|2,0,0]=4 6436 B16R2.180342 CC(=O)Nc1ccc2c(c1)OCCCO2 527a_100000181267_100103153847 [0,0,0,1,0,1|2,0,0]=4 6437 B16R2.33724 CCC(=O)c1ccc(cc1)OCC2CO2 34a_100000212119_102125554688 [0,1,0,1,0,0|2,0,0]=4 6438 B16R2.33724 CCC(=O)c1ccc(cc1)OCC2CO2 7a_100000212119_102125554688 [0,1,0,1,0,0|2,0,0]=4 6439 B16R2.33724 CCC(=O)c1ccc(cc1)OC[C@@H]2CO2 7a_100000212119_100000745022 [0,1,0,1,0,0|2,0,0]=4 6440 B16R2.33724 CNC(=O)c1ccc(cc1)OCC2CO2 34a_100000192141_102125554688 [0,1,0,1,0,0|2,0,0]=4 6441 B16R2.33724 CNC(=O)c1ccc(cc1)OCC2CO2 7a_100000192141_102125554688 [0,1,0,1,0,0|2,0,0]=4 6442 B16R2.33724 CNC(=O)c1ccc(cc1)OC[C@@H]2CO2 7a_100000192141_100000745022 [0,1,0,1,0,0|2,0,0]=4 6443 B16R2.33724 COC(=O)c1ccc(cc1)OCC2CO2 34a_100000150123_102125554688 [0,1,0,1,0,0|1,0,1]=4 6444 B16R2.33724 COC(=O)c1ccc(cc1)OCC2CO2 7a_100000150123_102125554688 [0,1,0,1,0,0|1,0,1]=4 6445 B16R2.33724 COC(=O)c1ccc(cc1)OC[C@@H]2CO2 7a_100000150123_100000745022 [0,1,0,1,0,0|1,0,1]=4 6446 B16R2.33724 NNC(=O)c1ccc(cc1)OCC2CO2 34a_100000185078_102125554688 [0,1,0,1,0,0|2,0,0]=4 6447 B16R2.33724 O=C(CBr)c1ccc(cc1)OCC2CO2 7a_100009814261_102125554688 [0,1,0,1,0,0|2,0,0]=4 6448 B16R2.33724 O=C(CBr)c1ccc(cc1)OC[C@@H]2CO2 7a_100009814261_100000745022 [0,1,0,1,0,0|2,0,0]=4 6449 B16R2.33724 O=C(CCl)c1ccc(cc1)OCC2CO2 7a_100000018856_102125554688 [0,1,0,1,0,0|2,0,0]=4 6450 B16R2.33724 O=C(CCl)c1ccc(cc1)OC[C@@H]2CO2 7a_100000018856_100000745022 [0,1,0,1,0,0|2,0,0]=4 6451 B16R2.33724 O=C(CF)c1ccc(cc1)OCC2CO2 34a_200010654591_102125554688 [0,1,0,1,0,0|2,0,0]=4 6452 B16R2.33724 O=C(CF)c1ccc(cc1)OCC2CO2 7a_200010654591_102125554688 [0,1,0,1,0,0|2,0,0]=4 6453 B16R2.33724 O=C(CF)c1ccc(cc1)OC[C@@H]2CO2 7a_200010654591_100000745022 [0,1,0,1,0,0|2,0,0]=4 6454 B16R2.171832 CCC(=O)c1ccc2c(c1)OCCCO2 1458a_100000198587_100000210202 [0,1,0,1,0,0|2,0,0]=4 6455 B16R2.171832 CNC(=O)c1ccc2c(c1)OCCCO2 11a_106832991635_100000198587 [0,1,0,1,0,0|2,0,0]=4 6456 B16R2.171832 CNC(=O)c1ccc2c(c1)OCCCO2 1626a_100102657272_100000198587 [0,1,0,1,0,0|2,0,0]=4 6457 B16R2.171832 CNC(=O)c1ccc2c(c1)OCCCO2 240690a_100102657272_100000198587 [0,1,0,1,0,0|2,0,0]=4 6458 B16R2.171832 CNC(=O)c1ccc2c(c1)OCCCO2 527a_100102657272_100000198587 [0,1,0,1,0,0|2,0,0]=4 6459 B16R2.171832 O=C(CF)c1ccc2c(c1)OCCCO2 1458a_100000198587_100015361967 [0,1,0,1,0,0|2,0,0]=4 6460 B16R2.205486 O=C1CCc2c1ccc(c2)OCCCO 34a_100000708912_100000230001 [0,1,0,1,0,0|2,0,0]=4 6461 B16R2.205486 O=C1CCc2c1ccc(c2)OCCCO 7a_100000708912_100011215043 [0,1,0,1,0,0|2,0,0]=4 6462 B16R2.205486 O=C1NCc2c1ccc(c2)OCCCO 34a_100000098542_100000230001 [0,1,0,1,0,0|2,0,0]=4 6463 B16R2.205486 O=C1OCc2c1ccc(c2)OCCCO 7a_100000044543_100011215043 [0,1,0,1,0,0|1,0,1]=4 6464 B16R2.52124 CS(=O)(=O)c1ccc(cc1)OCC2CO2 34a_100000230201_102125554688 [0,1,0,1,0,0|1,0,1]=4 6465 B16R2.52124 CS(=O)(=O)c1ccc(cc1)OCC2CO2 7a_100000230201_102125554688 [0,1,0,1,0,0|1,0,1]=4 6466 B16R2.52124 CS(=O)(=O)c1ccc(cc1)OC[C@@H]2CO2 7a_100000230201_100000745022 [0,1,0,1,0,0|1,0,1]=4 6467 B16R2.52124 NS(=O)(=O)c1ccc(cc1)OCC2CO2 34a_100000738502_102125554688 [0,1,0,1,0,0|1,0,1]=4 6468 B16R2.52124 NS(=O)(=O)c1ccc(cc1)OCC2CO2 7a_100000738502_102125554688 [0,1,0,1,0,0|1,0,1]=4 6469 B16R2.52124 NS(=O)(=O)c1ccc(cc1)OC[C@@H]2CO2 7a_100000738502_100000745022 [0,1,0,1,0,0|1,0,1]=4 6470 B16R2.52124 O=S(=O)([O-])c1ccc(cc1)OCC2CC2 7a_100000698548_100000742324 [0,1,0,1,0,0|2,0,0]=4 6471 B16R2.52124 O=S(=O)([O-])c1ccc(cc1)OCC2CO2 7a_100000698548_102125554688 [0,1,0,1,0,0|1,0,0]=3 6472 B16R2.52124 O=S(=O)([O-])c1ccc(cc1)OCC2CS2 7a_100000698548_100000031435 [0,1,0,1,0,0|1,1,0]=4 6473 B16R2.52124 O=S(=O)([O-])c1ccc(cc1)OC[C@@H]2CO2 7a_100000698548_100000745022 [0,1,0,1,0,0|1,0,0]=3 6474 B16R2.6508 O=[N+]([O-])c1ccc2c(c1)CN(C2)CCO 2230a_100000763510_100000211926 [0,1,0,1,0,0|2,0,0]=4 6475 B16R2.6508 O=[N+]([O-])c1ccc2c(c1)CN(C2)CCO 269982a_100000763510_100000211926 [0,1,0,1,0,0|2,0,0]=4 6476 B16R2.11302 CC(=O)c1ccc(c(c1)Br)OCC2CO2 34a_100011772453_102125554688 [0,1,0,1,0,0|2,0,0]=4 6477 B16R2.11302 CC(=O)c1ccc(c(c1)Br)OCC2CO2 7a_100011772453_102125554688 [0,1,0,1,0,0|2,0,0]=4 6478 B16R2.11302 CC(=O)c1ccc(c(c1)Br)OC[C@@H]2CO2 7a_100011772453_100000745022 [0,1,0,1,0,0|2,0,0]=4 6479 B16R2.11302 CC(=O)c1ccc(c(c1)C)OCC2CO2 34a_100000188726_102125554688 [0,1,0,1,0,0|2,0,0]=4 6480 B16R2.11302 CC(=O)c1ccc(c(c1)C)OCC2CO2 7a_100000188726_102125554688 [0,1,0,1,0,0|2,0,0]=4 6481 B16R2.11302 CC(=O)c1ccc(c(c1)C)OC[C@@H]2CO2 7a_100000188726_100000745022 [0,1,0,1,0,0|2,0,0]=4 6482 B16R2.11302 CC(=O)c1ccc(c(c1)Cl)OCC2CO2 34a_100000188625_102125554688 [0,1,0,1,0,0|2,0,0]=4 6483 B16R2.11302 CC(=O)c1ccc(c(c1)Cl)OCC2CO2 7a_100000188625_102125554688 [0,1,0,1,0,0|2,0,0]=4 6484 B16R2.11302 CC(=O)c1ccc(c(c1)Cl)OC[C@@H]2CO2 7a_100000188625_100000745022 [0,1,0,1,0,0|2,0,0]=4 6485 B16R2.11302 CC(=O)c1ccc(c(c1)F)OCC2CO2 34a_100000751691_102125554688 [0,1,0,1,0,0|2,0,0]=4 6486 B16R2.11302 CC(=O)c1ccc(c(c1)F)OCC2CO2 7a_100000751691_102125554688 [0,1,0,1,0,0|2,0,0]=4 6487 B16R2.11302 CC(=O)c1ccc(c(c1)F)OC[C@@H]2CO2 7a_100000751691_100000745022 [0,1,0,1,0,0|2,0,0]=4 6488 B16R2.11302 CC(=O)c1ccc(c(c1)N)OCC2CO2 34a_100000117292_102125554688 [0,1,0,1,0,0|2,0,0]=4 6489 B16R2.11302 CC(=O)c1ccc(c(c1)N)OCC2CO2 7a_100000117292_102125554688 [0,1,0,1,0,0|2,0,0]=4 6490 B16R2.11302 CC(=O)c1ccc(c(c1)N)OC[C@@H]2CO2 7a_100000117292_100000745022 [0,1,0,1,0,0|2,0,0]=4 6491 B16R2.11302 Cc1cc(ccc1NCC2CC2)[N+](=O)[O-] 2230a_100000184110_100000742324 [0,1,0,1,0,0|2,0,0]=4 6492 B16R2.11302 Cc1cc(ccc1NCC2CC2)[N+](=O)[O-] 34a_100000184110_100000742324 [0,1,0,1,0,0|2,0,0]=4 6493 B16R2.11302 Cc1cc(ccc1NCC2CC2)[N+](=O)[O-] 7a_100000184110_100000742324 [0,1,0,1,0,0|2,0,0]=4 6494 B16R2.11302 Cc1cc(ccc1NCC2CO2)[N+](=O)[O-] 2230a_100000184110_100011216344 [0,1,0,1,0,0|1,0,0]=3 6495 B16R2.11302 Cc1cc(ccc1NCC2CO2)[N+](=O)[O-] 34a_100000184110_102125554688 [0,1,0,1,0,0|1,0,0]=3 6496 B16R2.11302 Cc1cc(ccc1NCC2CO2)[N+](=O)[O-] 7a_100000184110_102125554688 [0,1,0,1,0,0|1,0,0]=3 6497 B16R2.11302 Cc1cc(ccc1NCC2CS2)[N+](=O)[O-] 7a_100000184110_100000031435 [0,1,0,1,0,0|1,1,0]=4 6498 B16R2.11302 Cc1cc(ccc1NC[C@@H]2CO2)[N+](=O)[O-] 7a_100000184110_100000745022 [0,1,0,1,0,0|1,0,0]=3 6499 B16R2.11302 Cc1cc(ccc1OCC2CC2)[N+](=O)[O-] 34a_100000744956_100000742324 [0,1,0,1,0,0|1,0,0]=3 6500 B16R2.11302 Cc1cc(ccc1OCC2CC2)[N+](=O)[O-] 7a_100000744956_100000742324 [0,1,0,1,0,0|1,0,0]=3 6501 B16R2.11302 Cc1cc(ccc1OCC2CO2)[N+](=O)[O-] 34a_100000744956_102125554688 [0,1,0,1,0,0|0,0,0]=2 6502 B16R2.11302 Cc1cc(ccc1OCC2CO2)[N+](=O)[O-] 7a_100000744956_102125554688 [0,1,0,1,0,0|0,0,0]=2 6503 B16R2.11302 Cc1cc(ccc1OCC2CS2)[N+](=O)[O-] 7a_100000744956_100000031435 [0,1,0,1,0,0|0,1,0]=3 6504 B16R2.11302 Cc1cc(ccc1OC[C@@H]2CO2)[N+](=O)[O-] 7a_100000744956_100000745022 [0,1,0,1,0,0|0,0,0]=2 6505 B16R2.11302 Cc1cc(ncc1OCC2CC2)[N+](=O)[O-] 7a_100015695027_100000742324 [0,1,0,1,0,0|2,0,0]=4 6506 B16R2.11302 Cc1cc(ncc1OCC2CO2)[N+](=O)[O-] 7a_100015695027_102125554688 [0,1,0,1,0,0|1,0,0]=3 6507 B16R2.11302 Cc1cc(ncc1OCC2CS2)[N+](=O)[O-] 7a_100015695027_100000031435 [0,1,0,1,0,0|1,1,0]=4 6508 B16R2.11302 Cc1cc(ncc1OC[C@@H]2CO2)[N+](=O)[O-] 7a_100015695027_100000745022 [0,1,0,1,0,0|1,0,0]=3 6509 B16R2.11302 Cc1nc(ccc1OCC2CC2)[N+](=O)[O-] 7a_100009862445_100000742324 [0,1,0,1,0,0|2,0,0]=4 6510 B16R2.11302 Cc1nc(ccc1OCC2CO2)[N+](=O)[O-] 7a_100009862445_102125554688 [0,1,0,1,0,0|1,0,0]=3 6511 B16R2.11302 Cc1nc(ccc1OCC2CS2)[N+](=O)[O-] 7a_100009862445_100000031435 [0,1,0,1,0,0|1,1,0]=4 6512 B16R2.11302 Cc1nc(ccc1OC[C@@H]2CO2)[N+](=O)[O-] 7a_100009862445_100000745022 [0,1,0,1,0,0|1,0,0]=3 6513 B16R2.11302 NC(=O)c1ccc(c(c1)Cl)OCC2CO2 34a_200000192832_102125554688 [0,1,0,1,0,0|2,0,0]=4 6514 B16R2.11302 NC(=O)c1ccc(c(c1)Cl)OCC2CO2 7a_200000192832_102125554688 [0,1,0,1,0,0|2,0,0]=4 6515 B16R2.11302 NC(=O)c1ccc(c(c1)Cl)OC[C@@H]2CO2 7a_200000192832_100000745022 [0,1,0,1,0,0|2,0,0]=4 6516 B16R2.11302 Nc1cc(ccc1OCC2CC2)[N+](=O)[O-] 34a_100000181223_100000742324 [0,1,0,1,0,0|1,0,0]=3 6517 B16R2.11302 Nc1cc(ccc1OCC2CC2)[N+](=O)[O-] 7a_100000181223_100000742324 [0,1,0,1,0,0|1,0,0]=3 6518 B16R2.11302 Nc1cc(ccc1OCC2CO2)[N+](=O)[O-] 34a_100000181223_102125554688 [0,1,0,1,0,0|0,0,0]=2 6519 B16R2.11302 Nc1cc(ccc1OCC2CO2)[N+](=O)[O-] 7a_100000181223_102125554688 [0,1,0,1,0,0|0,0,0]=2 6520 B16R2.11302 Nc1cc(ccc1OCC2CS2)[N+](=O)[O-] 7a_100000181223_100000031435 [0,1,0,1,0,0|0,1,0]=3 6521 B16R2.11302 Nc1cc(ccc1OC[C@@H]2CO2)[N+](=O)[O-] 7a_100000181223_100000745022 [0,1,0,1,0,0|0,0,0]=2 6522 B16R2.11302 O=[N+]([O-])c1ccc(c(c1)Br)OCC2CC2 34a_100000756651_100000742324 [0,1,0,1,0,0|1,0,0]=3 6523 B16R2.11302 O=[N+]([O-])c1ccc(c(c1)Br)OCC2CC2 7a_100000756651_100000742324 [0,1,0,1,0,0|1,0,0]=3 6524 B16R2.11302 O=[N+]([O-])c1ccc(c(c1)Br)OCC2CO2 34a_100000756651_102125554688 [0,1,0,1,0,0|0,0,0]=2 6525 B16R2.11302 O=[N+]([O-])c1ccc(c(c1)Br)OCC2CO2 7a_100000756651_102125554688 [0,1,0,1,0,0|0,0,0]=2 6526 B16R2.11302 O=[N+]([O-])c1ccc(c(c1)Br)OCC2CS2 7a_100000756651_100000031435 [0,1,0,1,0,0|0,1,0]=3 6527 B16R2.11302 O=[N+]([O-])c1ccc(c(c1)Br)OC[C@@H]2CO2 7a_100000756651_100000745022 [0,1,0,1,0,0|0,0,0]=2 6528 B16R2.11302 O=[N+]([O-])c1ccc(c(c1)Cl)NCC2CC2 34a_100000185723_100000742324 [0,1,0,1,0,0|2,0,0]=4 6529 B16R2.11302 O=[N+]([O-])c1ccc(c(c1)Cl)NCC2CO2 34a_100000185723_102125554688 [0,1,0,1,0,0|1,0,0]=3 6530 B16R2.11302 O=[N+]([O-])c1ccc(c(c1)Cl)OCC2CC2 34a_100000206008_100000742324 [0,1,0,1,0,0|1,0,0]=3 6531 B16R2.11302 O=[N+]([O-])c1ccc(c(c1)Cl)OCC2CC2 7a_100000206008_100000742324 [0,1,0,1,0,0|1,0,0]=3 6532 B16R2.11302 O=[N+]([O-])c1ccc(c(c1)Cl)OCC2CO2 34a_100000206008_102125554688 [0,1,0,1,0,0|0,0,0]=2 6533 B16R2.11302 O=[N+]([O-])c1ccc(c(c1)Cl)OCC2CO2 7a_100000206008_102125554688 [0,1,0,1,0,0|0,0,0]=2 6534 B16R2.11302 O=[N+]([O-])c1ccc(c(c1)Cl)OCC2CS2 7a_100000206008_100000031435 [0,1,0,1,0,0|0,1,0]=3 6535 B16R2.11302 O=[N+]([O-])c1ccc(c(c1)Cl)OC[C@@H]2CO2 7a_100000206008_100000745022 [0,1,0,1,0,0|0,0,0]=2 6536 B16R2.11302 O=[N+]([O-])c1ccc(c(c1)F)NCC2CC2 34a_100000745739_100000742324 [0,1,0,1,0,0|2,0,0]=4 6537 B16R2.11302 O=[N+]([O-])c1ccc(c(c1)F)NCC2CO2 34a_100000745739_102125554688 [0,1,0,1,0,0|1,0,0]=3 6538 B16R2.11302 O=[N+]([O-])c1ccc(c(c1)F)OCC2CC2 34a_100000739697_100000742324 [0,1,0,1,0,0|1,0,0]=3 6539 B16R2.11302 O=[N+]([O-])c1ccc(c(c1)F)OCC2CC2 7a_100000739697_100000742324 [0,1,0,1,0,0|1,0,0]=3 6540 B16R2.11302 O=[N+]([O-])c1ccc(c(c1)F)OCC2CO2 34a_100000739697_102125554688 [0,1,0,1,0,0|0,0,0]=2 6541 B16R2.11302 O=[N+]([O-])c1ccc(c(c1)F)OCC2CO2 7a_100000739697_102125554688 [0,1,0,1,0,0|0,0,0]=2 6542 B16R2.11302 O=[N+]([O-])c1ccc(c(c1)F)OCC2CS2 7a_100000739697_100000031435 [0,1,0,1,0,0|0,1,0]=3 6543 B16R2.11302 O=[N+]([O-])c1ccc(c(c1)F)OC[C@@H]2CO2 7a_100000739697_100000745022 [0,1,0,1,0,0|0,0,0]=2 6544 B16R2.11302 O=[N+]([O-])c1ccc(c(c1)I)OCC2CC2 34a_100012047213_100000742324 [0,1,0,1,0,0|1,0,0]=3 6545 B16R2.11302 O=[N+]([O-])c1ccc(c(c1)I)OCC2CC2 7a_100012047213_100000742324 [0,1,0,1,0,0|1,0,0]=3 6546 B16R2.11302 O=[N+]([O-])c1ccc(c(c1)I)OCC2CO2 34a_100012047213_102125554688 [0,1,0,1,0,0|0,0,0]=2 6547 B16R2.11302 O=[N+]([O-])c1ccc(c(c1)I)OCC2CO2 7a_100012047213_102125554688 [0,1,0,1,0,0|0,0,0]=2 6548 B16R2.11302 O=[N+]([O-])c1ccc(c(c1)I)OCC2CS2 7a_100012047213_100000031435 [0,1,0,1,0,0|0,1,0]=3 6549 B16R2.11302 O=[N+]([O-])c1ccc(c(c1)I)OC[C@@H]2CO2 7a_100012047213_100000745022 [0,1,0,1,0,0|0,0,0]=2 6550 B16R2.11302 O=[N+]([O-])c1cnc(c(c1)F)OCC2CC2 34a_100000100219_100000742324 [0,1,0,1,0,0|2,0,0]=4 6551 B16R2.11302 O=[N+]([O-])c1cnc(c(c1)F)OCC2CO2 34a_100000100219_102125554688 [0,1,0,1,0,0|1,0,0]=3 6552 B16R2.78779 Cc1cc(ccc1NC2CCC2)[N+](=O)[O-] 34a_100000184110_100000749161 [0,1,0,1,0,0|2,0,0]=4 6553 B16R2.78779 Cc1cc(ccc1OC2CCC2)[N+](=O)[O-] 34a_100000744956_100000749161 [0,1,0,1,0,0|1,0,0]=3 6554 B16R2.78779 Cc1cc(ccc1OC2COC2)[N+](=O)[O-] 34a_100000744956_100009818527 [0,1,0,1,0,0|2,0,0]=4 6555 B16R2.78779 Cc1cc(ccc1OC2COC2)[N+](=O)[O-] 7a_100000744956_100009818527 [0,1,0,1,0,0|2,0,0]=4 6556 B16R2.78779 Nc1cc(ccc1OC2CCC2)[N+](=O)[O-] 34a_100000181223_100000749161 [0,1,0,1,0,0|1,0,0]=3 6557 B16R2.78779 Nc1cc(ccc1OC2COC2)[N+](=O)[O-] 34a_100000181223_100009818527 [0,1,0,1,0,0|2,0,0]=4 6558 B16R2.78779 Nc1cc(ccc1OC2COC2)[N+](=O)[O-] 7a_100000181223_100009818527 [0,1,0,1,0,0|2,0,0]=4 6559 B16R2.78779 O=[N+]([O-])c1ccc(c(c1)Br)OC2CCC2 34a_100000756651_100000749161 [0,1,0,1,0,0|1,0,0]=3 6560 B16R2.78779 O=[N+]([O-])c1ccc(c(c1)Br)OC2COC2 34a_100000756651_100009818527 [0,1,0,1,0,0|2,0,0]=4 6561 B16R2.78779 O=[N+]([O-])c1ccc(c(c1)Br)OC2COC2 7a_100000756651_100009818527 [0,1,0,1,0,0|2,0,0]=4 6562 B16R2.78779 O=[N+]([O-])c1ccc(c(c1)Cl)NC2CCC2 34a_100000185723_100000749161 [0,1,0,1,0,0|2,0,0]=4 6563 B16R2.78779 O=[N+]([O-])c1ccc(c(c1)Cl)OC2CCC2 34a_100000206008_100000749161 [0,1,0,1,0,0|1,0,0]=3 6564 B16R2.78779 O=[N+]([O-])c1ccc(c(c1)Cl)OC2COC2 34a_100000206008_100009818527 [0,1,0,1,0,0|2,0,0]=4 6565 B16R2.78779 O=[N+]([O-])c1ccc(c(c1)Cl)OC2COC2 7a_100000206008_100009818527 [0,1,0,1,0,0|2,0,0]=4 6566 B16R2.78779 O=[N+]([O-])c1ccc(c(c1)F)NC2CCC2 34a_100000745739_100000749161 [0,1,0,1,0,0|2,0,0]=4 6567 B16R2.78779 O=[N+]([O-])c1ccc(c(c1)F)OC2CCC2 34a_100000739697_100000749161 [0,1,0,1,0,0|1,0,0]=3 6568 B16R2.78779 O=[N+]([O-])c1ccc(c(c1)F)OC2COC2 34a_100000739697_100009818527 [0,1,0,1,0,0|2,0,0]=4 6569 B16R2.78779 O=[N+]([O-])c1ccc(c(c1)F)OC2COC2 7a_100000739697_100009818527 [0,1,0,1,0,0|2,0,0]=4 6570 B16R2.78779 O=[N+]([O-])c1ccc(c(c1)I)OC2CCC2 34a_100012047213_100000749161 [0,1,0,1,0,0|1,0,0]=3 6571 B16R2.78779 O=[N+]([O-])c1ccc(c(c1)I)OC2COC2 34a_100012047213_100009818527 [0,1,0,1,0,0|2,0,0]=4 6572 B16R2.78779 O=[N+]([O-])c1ccc(c(c1)I)OC2COC2 7a_100012047213_100009818527 [0,1,0,1,0,0|2,0,0]=4 6573 B16R2.78779 O=[N+]([O-])c1cnc(c(c1)F)OC2CCC2 34a_100000100219_100000749161 [0,1,0,1,0,0|2,0,0]=4 6574 B16R2.3287 CC1CCN1Cc2ccc(cc2)[N+](=O)[O-] 269982a_100000755817_100000184243 [0,1,0,1,0,0|2,0,0]=4 6575 B16R2.3287 CC1CCN1Cc2ccc(cc2)[N+](=O)[O-] 26a_100000755817_100000185810 [0,1,0,1,0,0|2,0,0]=4 6576 B16R2.3287 CC1CCN1Cc2ccc(cc2)[N+](=O)[O-] 34a_100000755817_100000181861 [0,1,0,1,0,0|2,0,0]=4 6577 B16R2.3287 O=C1CCC1Nc2ccc(cc2)[N+](=O)[O-] 34a_100015195142_100009892977 [0,1,0,1,0,0|1,0,1]=4 6578 B16R2.3287 O=C1CCC1Oc2ccc(cc2)[N+](=O)[O-] 34a_100000185810_100009892977 [0,1,0,1,0,0|0,0,1]=3 6579 B16R2.3287 O=C1CCC1Oc2ccc(cc2)[N+](=O)[O-] 7a_100000185810_100009892977 [0,1,0,1,0,0|0,0,1]=3 6580 B16R2.3287 O=C1CCC1Oc2ccc(nc2)[N+](=O)[O-] 7a_100000060138_100009892977 [0,1,0,1,0,0|1,0,1]=4 6581 B16R2.4052 O=[N+]([O-])c1ccc(cc1)CN[C@@H]2C[C@@H]2F 2230a_100015190264_100000181861 [0,1,0,1,0,0|2,0,0]=4 6582 B16R2.4052 O=[N+]([O-])c1ccc(cc1)CN[C@@H]2C[C@H]2F 2230a_100025746932_100000181861 [0,1,0,1,0,0|2,0,0]=4 6583 B16R2.4052 O=[N+]([O-])c1ccc(cc1)CN[C@@H]2C[C@H]2F 34a_100025746932_100000181861 [0,1,0,1,0,0|2,0,0]=4 6584 B16R2.27304 CC(=O)c1ccc(cc1)OCC2(CO2)C 34a_100000185113_100000760498 [0,1,0,1,0,0|2,0,0]=4 6585 B16R2.27304 CC1(CO1)CNc2ccc(cc2)[N+](=O)[O-] 34a_100015195142_100000760498 [0,1,0,1,0,0|1,0,0]=3 6586 B16R2.27304 CC1(CO1)COc2ccc(cc2)C(=O)N 34a_100000746352_100000760498 [0,1,0,1,0,0|2,0,0]=4 6587 B16R2.27304 CC1(CO1)COc2ccc(cc2)[N+](=O)[O-] 34a_100000185810_100000760498 [0,1,0,1,0,0|0,0,0]=2 6588 B16R2.27304 CS(=O)c1ccc(cc1)OCC2(CO2)C 34a_200000064373_100000760498 [0,1,0,1,0,0|2,0,0]=4 6589 B16R2.27309 CC(=O)c1ccc(cc1)OCC2CCO2 34a_100000185113_100000103362 [0,1,0,1,0,0|2,0,0]=4 6590 B16R2.27309 CC(=O)c1ccc(cc1)OCC2CCO2 7a_100000185113_100000103362 [0,1,0,1,0,0|2,0,0]=4 6591 B16R2.27309 CC(=O)c1ccc(cc1)OCC2COC2 34a_100000185113_100010264016 [0,1,0,1,0,0|2,0,0]=4 6592 B16R2.27309 CC(=O)c1ccc(cc1)OCC2COC2 7a_100000185113_100010264016 [0,1,0,1,0,0|2,0,0]=4 6593 B16R2.27309 CS(=O)c1ccc(cc1)OCC2CCO2 34a_200000064373_100000103362 [0,1,0,1,0,0|2,0,0]=4 6594 B16R2.27309 CS(=O)c1ccc(cc1)OCC2CCO2 7a_200000064373_100000103362 [0,1,0,1,0,0|2,0,0]=4 6595 B16R2.27309 CS(=O)c1ccc(cc1)OCC2COC2 34a_200000064373_100010264016 [0,1,0,1,0,0|2,0,0]=4 6596 B16R2.27309 CS(=O)c1ccc(cc1)OCC2COC2 7a_200000064373_100010264016 [0,1,0,1,0,0|2,0,0]=4 6597 B16R2.27309 NC(=O)c1ccc(cc1)OCC2CCO2 34a_100000746352_100000103362 [0,1,0,1,0,0|2,0,0]=4 6598 B16R2.27309 NC(=O)c1ccc(cc1)OCC2CCO2 7a_100000746352_100000103362 [0,1,0,1,0,0|2,0,0]=4 6599 B16R2.27309 NC(=O)c1ccc(cc1)OCC2COC2 34a_100000746352_100010264016 [0,1,0,1,0,0|2,0,0]=4 6600 B16R2.27309 NC(=O)c1ccc(cc1)OCC2COC2 7a_100000746352_100010264016 [0,1,0,1,0,0|2,0,0]=4 6601 B16R2.27309 O=[N+]([O-])c1ccc(cc1)CCN2CCC2 269982a_100000754969_100000736421 [0,1,0,1,0,0|2,0,0]=4 6602 B16R2.27309 O=[N+]([O-])c1ccc(cc1)CNC2CCC2 2230a_100000749019_100000181861 [0,1,0,1,0,0|2,0,0]=4 6603 B16R2.27309 O=[N+]([O-])c1ccc(cc1)CNC2CCC2 270004a_100000742766_100000241760 [0,1,0,1,0,0|2,0,0]=4 6604 B16R2.27309 O=[N+]([O-])c1ccc(cc1)CNC2CCC2 34a_100000742766_100000749161 [0,1,0,1,0,0|2,0,0]=4 6605 B16R2.27309 O=[N+]([O-])c1ccc(cc1)CNC2CCC2 34a_100000749019_100000181861 [0,1,0,1,0,0|2,0,0]=4 6606 B16R2.27309 O=[N+]([O-])c1ccc(cc1)CNC2COC2 207a_100016991112_100000189386 [0,1,0,1,0,0|2,0,0]=4 6607 B16R2.27309 O=[N+]([O-])c1ccc(cc1)CNC2COC2 2230a_100016991112_100000181861 [0,1,0,1,0,0|2,0,0]=4 6608 B16R2.27309 O=[N+]([O-])c1ccc(cc1)CNC2COC2 270004a_100016991112_100000189386 [0,1,0,1,0,0|2,0,0]=4 6609 B16R2.27309 O=[N+]([O-])c1ccc(cc1)CNC2COC2 34a_100000742766_100009818527 [0,1,0,1,0,0|2,0,0]=4 6610 B16R2.27309 O=[N+]([O-])c1ccc(cc1)COC2CCC2 34a_100000211695_100000749161 [0,1,0,1,0,0|1,0,0]=3 6611 B16R2.27309 O=[N+]([O-])c1ccc(cc1)COC2CCC2 34a_100000748187_100000181861 [0,1,0,1,0,0|1,0,0]=3 6612 B16R2.27309 O=[N+]([O-])c1ccc(cc1)COC2COC2 34a_100000211695_100009818527 [0,1,0,1,0,0|2,0,0]=4 6613 B16R2.27309 O=[N+]([O-])c1ccc(cc1)COC2CSC2 7a_100000072292_100000181861 [0,1,0,1,0,0|2,0,0]=4 6614 B16R2.27309 O=[N+]([O-])c1ccc(cc1)NCC2CCC2 2230a_100015195142_100000763275 [0,1,0,1,0,0|2,0,0]=4 6615 B16R2.27309 O=[N+]([O-])c1ccc(cc1)NCC2CCC2 34a_100015195142_100000763275 [0,1,0,1,0,0|2,0,0]=4 6616 B16R2.27309 O=[N+]([O-])c1ccc(cc1)NCC2CCO2 2230a_100015195142_100000103362 [0,1,0,1,0,0|1,0,0]=3 6617 B16R2.27309 O=[N+]([O-])c1ccc(cc1)NCC2CCO2 34a_100015195142_100000103362 [0,1,0,1,0,0|1,0,0]=3 6618 B16R2.27309 O=[N+]([O-])c1ccc(cc1)NCC2COC2 2230a_100015195142_100010264016 [0,1,0,1,0,0|1,0,0]=3 6619 B16R2.27309 O=[N+]([O-])c1ccc(cc1)NCC2COC2 34a_100015195142_100010264016 [0,1,0,1,0,0|1,0,0]=3 6620 B16R2.27309 O=[N+]([O-])c1ccc(cc1)OCC2CCC2 34a_100000185810_100000763275 [0,1,0,1,0,0|1,0,0]=3 6621 B16R2.27309 O=[N+]([O-])c1ccc(cc1)OCC2CCC2 7a_100000185810_100000763275 [0,1,0,1,0,0|1,0,0]=3 6622 B16R2.27309 O=[N+]([O-])c1ccc(cc1)OCC2CCO2 34a_100000185810_100000103362 [0,1,0,1,0,0|0,0,0]=2 6623 B16R2.27309 O=[N+]([O-])c1ccc(cc1)OCC2CCO2 7a_100000185810_100000103362 [0,1,0,1,0,0|0,0,0]=2 6624 B16R2.27309 O=[N+]([O-])c1ccc(cc1)OCC2COC2 34a_100000185810_100010264016 [0,1,0,1,0,0|0,0,0]=2 6625 B16R2.27309 O=[N+]([O-])c1ccc(cc1)OCC2COC2 7a_100000185810_100010264016 [0,1,0,1,0,0|0,0,0]=2 6626 B16R2.27309 O=[N+]([O-])c1ccc(cn1)OCC2CCC2 7a_100000060138_100000763275 [0,1,0,1,0,0|2,0,0]=4 6627 B16R2.27309 O=[N+]([O-])c1ccc(cn1)OCC2CCO2 7a_100000060138_100000103362 [0,1,0,1,0,0|1,0,0]=3 6628 B16R2.27309 O=[N+]([O-])c1ccc(cn1)OCC2COC2 7a_100000060138_100010264016 [0,1,0,1,0,0|1,0,0]=3 6629 B16R2.481 CC(=O)c1ccc(cc1)OC2CCOC2 34a_100000185113_100000690089 [0,1,0,1,0,0|2,0,0]=4 6630 B16R2.481 CC(=O)c1ccc(cc1)OC2CCOC2 7a_100000185113_100000731011 [0,1,0,1,0,0|2,0,0]=4 6631 B16R2.481 CS(=O)c1ccc(cc1)OC2CCOC2 34a_200000064373_100000690089 [0,1,0,1,0,0|2,0,0]=4 6632 B16R2.481 CS(=O)c1ccc(cc1)OC2CCOC2 7a_200000064373_100000731011 [0,1,0,1,0,0|2,0,0]=4 6633 B16R2.481 NC(=O)c1ccc(cc1)OC2CCOC2 34a_100000746352_100000690089 [0,1,0,1,0,0|2,0,0]=4 6634 B16R2.481 NC(=O)c1ccc(cc1)OC2CCOC2 7a_100000746352_100000731011 [0,1,0,1,0,0|2,0,0]=4 6635 B16R2.481 O=[N+]([O-])c1ccc(cc1)CN2CCCC2 2230a_100000188435_100000181861 [0,1,0,1,0,0|2,0,0]=4 6636 B16R2.481 O=[N+]([O-])c1ccc(cc1)CN2CCCC2 269982a_100000188435_100000184243 [0,1,0,1,0,0|2,0,0]=4 6637 B16R2.481 O=[N+]([O-])c1ccc(cc1)CN2CCCC2 26a_100000188435_100000185810 [0,1,0,1,0,0|2,0,0]=4 6638 B16R2.481 O=[N+]([O-])c1ccc(cc1)CN2CCCC2 270004a_100000188435_100000189386 [0,1,0,1,0,0|2,0,0]=4 6639 B16R2.481 O=[N+]([O-])c1ccc(cc1)NC2CCCC2 2230a_100015195142_100000179811 [0,1,0,1,0,0|2,0,0]=4 6640 B16R2.481 O=[N+]([O-])c1ccc(cc1)NC2CCCC2 34a_100015195142_100000179811 [0,1,0,1,0,0|2,0,0]=4 6641 B16R2.481 O=[N+]([O-])c1ccc(cc1)NC2CCOC2 2230a_100015195142_100000731011 [0,1,0,1,0,0|1,0,0]=3 6642 B16R2.481 O=[N+]([O-])c1ccc(cc1)NC2CCOC2 34a_100015195142_100000690089 [0,1,0,1,0,0|1,0,0]=3 6643 B16R2.481 O=[N+]([O-])c1ccc(cc1)OC2CCCC2 34a_100000185810_100000179811 [0,1,0,1,0,0|1,0,0]=3 6644 B16R2.481 O=[N+]([O-])c1ccc(cc1)OC2CCCC2 7a_100000185810_100000179811 [0,1,0,1,0,0|1,0,0]=3 6645 B16R2.481 O=[N+]([O-])c1ccc(cc1)OC2CCOC2 34a_100000185810_100000690089 [0,1,0,1,0,0|0,0,0]=2 6646 B16R2.481 O=[N+]([O-])c1ccc(cc1)OC2CCOC2 7a_100000185810_100000731011 [0,1,0,1,0,0|0,0,0]=2 6647 B16R2.481 O=[N+]([O-])c1ccc(cn1)OC2CCCC2 7a_100000060138_100000179811 [0,1,0,1,0,0|2,0,0]=4 6648 B16R2.481 O=[N+]([O-])c1ccc(cn1)OC2CCOC2 7a_100000060138_100000731011 [0,1,0,1,0,0|1,0,0]=3 6649 B16R2.27308 CC(=O)c1ccc(cc1)COCC2CO2 7a_100000082505_102125554688 [0,1,0,1,0,0|2,0,0]=4 6650 B16R2.27308 CC(=O)c1ccc(cc1)COC[C@@H]2CO2 34a_100000757423_100000756337 [0,1,0,1,0,0|2,0,0]=4 6651 B16R2.27308 CC(=O)c1ccc(cc1)COC[C@@H]2CO2 7a_100000082505_100000745022 [0,1,0,1,0,0|2,0,0]=4 6652 B16R2.27308 CC(=O)c1ccc(cc1)OCCC2CO2 34a_100000185113_100000732470 [0,1,0,1,0,0|2,0,0]=4 6653 B16R2.27308 CC(=O)c1ccc(cc1)OCCC2CO2 7a_100000185113_100000732470 [0,1,0,1,0,0|2,0,0]=4 6654 B16R2.27308 CS(=O)c1ccc(cc1)OCCC2CO2 34a_200000064373_100000732470 [0,1,0,1,0,0|2,0,0]=4 6655 B16R2.27308 CS(=O)c1ccc(cc1)OCCC2CO2 7a_200000064373_100000732470 [0,1,0,1,0,0|2,0,0]=4 6656 B16R2.27308 NC(=O)c1ccc(cc1)COCC2CO2 34a_100000162016_102125554688 [0,1,0,1,0,0|2,0,0]=4 6657 B16R2.27308 NC(=O)c1ccc(cc1)COCC2CO2 7a_100000162016_102125554688 [0,1,0,1,0,0|2,0,0]=4 6658 B16R2.27308 NC(=O)c1ccc(cc1)COC[C@@H]2CO2 34a_100000757423_100000231043 [0,1,0,1,0,0|2,0,0]=4 6659 B16R2.27308 NC(=O)c1ccc(cc1)COC[C@@H]2CO2 7a_100000162016_100000745022 [0,1,0,1,0,0|2,0,0]=4 6660 B16R2.27308 NC(=O)c1ccc(cc1)OCCC2CO2 34a_100000746352_100000732470 [0,1,0,1,0,0|2,0,0]=4 6661 B16R2.27308 NC(=O)c1ccc(cc1)OCCC2CO2 7a_100000746352_100000732470 [0,1,0,1,0,0|2,0,0]=4 6662 B16R2.27308 O=[N+]([O-])c1ccc(cc1)CCNC2CC2 34a_100000212008_100000736421 [0,1,0,1,0,0|2,0,0]=4 6663 B16R2.27308 O=[N+]([O-])c1ccc(cc1)CCNC2CC2 34a_100000744123_100000211595 [0,1,0,1,0,0|2,0,0]=4 6664 B16R2.27308 O=[N+]([O-])c1ccc(cc1)CCOC2CC2 34a_100000704122_100000211595 [0,1,0,1,0,0|2,0,0]=4 6665 B16R2.27308 O=[N+]([O-])c1ccc(cc1)CNCC2CC2 207a_100000735609_100000189386 [0,1,0,1,0,0|2,0,0]=4 6666 B16R2.27308 O=[N+]([O-])c1ccc(cc1)CNCC2CC2 2230a_100000735609_100000181861 [0,1,0,1,0,0|2,0,0]=4 6667 B16R2.27308 O=[N+]([O-])c1ccc(cc1)CNCC2CC2 2230a_100000742766_100000742324 [0,1,0,1,0,0|2,0,0]=4 6668 B16R2.27308 O=[N+]([O-])c1ccc(cc1)CNCC2CC2 269862a_100000742766_100000741477 [0,1,0,1,0,0|2,0,0]=4 6669 B16R2.27308 O=[N+]([O-])c1ccc(cc1)CNCC2CC2 270004a_100000735609_100000189386 [0,1,0,1,0,0|2,0,0]=4 6670 B16R2.27308 O=[N+]([O-])c1ccc(cc1)CNCC2CC2 34a_100000735609_100000181861 [0,1,0,1,0,0|2,0,0]=4 6671 B16R2.27308 O=[N+]([O-])c1ccc(cc1)CNCC2CC2 34a_100000742766_100000742324 [0,1,0,1,0,0|2,0,0]=4 6672 B16R2.27308 O=[N+]([O-])c1ccc(cc1)CNCC2CO2 2230a_100000742766_100011216344 [0,1,0,1,0,0|1,0,0]=3 6673 B16R2.27308 O=[N+]([O-])c1ccc(cc1)CNCC2CO2 34a_100000742766_102125554688 [0,1,0,1,0,0|1,0,0]=3 6674 B16R2.27308 O=[N+]([O-])c1ccc(cc1)COCC2CC2 34a_100000211283_100000181861 [0,1,0,1,0,0|1,0,0]=3 6675 B16R2.27308 O=[N+]([O-])c1ccc(cc1)COCC2CC2 34a_100000211695_100000742324 [0,1,0,1,0,0|1,0,0]=3 6676 B16R2.27308 O=[N+]([O-])c1ccc(cc1)COCC2CO2 34a_100000211695_102125554688 [0,1,0,1,0,0|0,0,0]=2 6677 B16R2.27308 O=[N+]([O-])c1ccc(cc1)COC[C@@H]2CO2 34a_100000757423_100000181861 [0,1,0,1,0,0|0,0,0]=2 6678 B16R2.27308 O=[N+]([O-])c1ccc(cc1)CSCC2CC2 62a_100000756562_100000184243 [0,1,0,1,0,0|1,1,0]=4 6679 B16R2.27308 O=[N+]([O-])c1ccc(cc1)CSCC2CO2 62a_102125554688_100000184243 [0,1,0,1,0,0|0,1,0]=3 6680 B16R2.27308 O=[N+]([O-])c1ccc(cc1)CSCC2CS2 62a_100000031435_100000184243 [0,1,0,1,0,0|0,2,0]=4 6681 B16R2.27308 O=[N+]([O-])c1ccc(cc1)CSC[C@@H]2CO2 62a_100000745022_100000184243 [0,1,0,1,0,0|0,1,0]=3 6682 B16R2.27308 O=[N+]([O-])c1ccc(cc1)NCCC2CC2 2230a_100015195142_100000694398 [0,1,0,1,0,0|2,0,0]=4 6683 B16R2.27308 O=[N+]([O-])c1ccc(cc1)NCCC2CC2 34a_100015195142_100000694398 [0,1,0,1,0,0|2,0,0]=4 6684 B16R2.27308 O=[N+]([O-])c1ccc(cc1)NCCC2CO2 2230a_100015195142_100000732470 [0,1,0,1,0,0|1,0,0]=3 6685 B16R2.27308 O=[N+]([O-])c1ccc(cc1)NCCC2CO2 34a_100015195142_100000732470 [0,1,0,1,0,0|1,0,0]=3 6686 B16R2.27308 O=[N+]([O-])c1ccc(cc1)OCCC2CC2 34a_100000185810_100000694398 [0,1,0,1,0,0|1,0,0]=3 6687 B16R2.27308 O=[N+]([O-])c1ccc(cc1)OCCC2CC2 7a_100000185810_100000764125 [0,1,0,1,0,0|1,0,0]=3 6688 B16R2.27308 O=[N+]([O-])c1ccc(cc1)OCCC2CO2 34a_100000185810_100000732470 [0,1,0,1,0,0|0,0,0]=2 6689 B16R2.27308 O=[N+]([O-])c1ccc(cc1)OCCC2CO2 7a_100000185810_100000732470 [0,1,0,1,0,0|0,0,0]=2 6690 B16R2.27308 O=[N+]([O-])c1ccc(cn1)OCCC2CC2 7a_100000060138_100000764125 [0,1,0,1,0,0|2,0,0]=4 6691 B16R2.27308 O=[N+]([O-])c1ccc(cn1)OCCC2CO2 7a_100000060138_100000732470 [0,1,0,1,0,0|1,0,0]=3 6692 B16R2.191 O=[N+]([O-])c1ccc(cc1)CN2CC(C2)O 269982a_100000749847_100000184243 [0,1,0,1,0,0|2,0,0]=4 6693 B16R2.191 O=[N+]([O-])c1ccc(cc1)CN2CC(C2)O 26a_100000749847_100000185810 [0,1,0,1,0,0|2,0,0]=4 6694 B16R2.78760 CC(=O)c1ccc(cc1Br)OCC2CO2 34a_100012340537_102125554688 [0,1,0,1,0,0|2,0,0]=4 6695 B16R2.78760 CC(=O)c1ccc(cc1Br)OCC2CO2 7a_100012340537_102125554688 [0,1,0,1,0,0|2,0,0]=4 6696 B16R2.78760 CC(=O)c1ccc(cc1Br)OC[C@@H]2CO2 7a_100012340537_100000745022 [0,1,0,1,0,0|2,0,0]=4 6697 B16R2.78760 CC(=O)c1ccc(cc1C)OCC2CO2 34a_100000702595_102125554688 [0,1,0,1,0,0|2,0,0]=4 6698 B16R2.78760 CC(=O)c1ccc(cc1C)OCC2CO2 7a_100000702595_102125554688 [0,1,0,1,0,0|2,0,0]=4 6699 B16R2.78760 CC(=O)c1ccc(cc1C)OC[C@@H]2CO2 7a_100000702595_100000745022 [0,1,0,1,0,0|2,0,0]=4 6700 B16R2.78760 CC(=O)c1ccc(cc1Cl)OCC2CO2 34a_100011933989_102125554688 [0,1,0,1,0,0|2,0,0]=4 6701 B16R2.78760 CC(=O)c1ccc(cc1Cl)OCC2CO2 7a_100011933989_102125554688 [0,1,0,1,0,0|2,0,0]=4 6702 B16R2.78760 CC(=O)c1ccc(cc1Cl)OC[C@@H]2CO2 7a_100011933989_100000745022 [0,1,0,1,0,0|2,0,0]=4 6703 B16R2.78760 CC(=O)c1ccc(cc1F)OCC2CO2 34a_100000752407_102125554688 [0,1,0,1,0,0|2,0,0]=4 6704 B16R2.78760 CC(=O)c1ccc(cc1F)OCC2CO2 7a_100000752407_102125554688 [0,1,0,1,0,0|2,0,0]=4 6705 B16R2.78760 CC(=O)c1ccc(cc1F)OC[C@@H]2CO2 7a_100000752407_100000745022 [0,1,0,1,0,0|2,0,0]=4 6706 B16R2.78760 Cc1cc(ccc1[N+](=O)[O-])NCC2CC2 34a_100000745639_100000742324 [0,1,0,1,0,0|2,0,0]=4 6707 B16R2.78760 Cc1cc(ccc1[N+](=O)[O-])NCC2CC2 7a_100000745639_100000742324 [0,1,0,1,0,0|2,0,0]=4 6708 B16R2.78760 Cc1cc(ccc1[N+](=O)[O-])NCC2CO2 34a_100000745639_102125554688 [0,1,0,1,0,0|1,0,0]=3 6709 B16R2.78760 Cc1cc(ccc1[N+](=O)[O-])NCC2CO2 7a_100000745639_102125554688 [0,1,0,1,0,0|1,0,0]=3 6710 B16R2.78760 Cc1cc(ccc1[N+](=O)[O-])NCC2CS2 7a_100000745639_100000031435 [0,1,0,1,0,0|1,1,0]=4 6711 B16R2.78760 Cc1cc(ccc1[N+](=O)[O-])NC[C@@H]2CO2 7a_100000745639_100000745022 [0,1,0,1,0,0|1,0,0]=3 6712 B16R2.78760 Cc1cc(ccc1[N+](=O)[O-])OCC2CC2 34a_100000195451_100000742324 [0,1,0,1,0,0|1,0,0]=3 6713 B16R2.78760 Cc1cc(ccc1[N+](=O)[O-])OCC2CC2 7a_100000195451_100000742324 [0,1,0,1,0,0|1,0,0]=3 6714 B16R2.78760 Cc1cc(ccc1[N+](=O)[O-])OCC2CO2 34a_100000195451_102125554688 [0,1,0,1,0,0|0,0,0]=2 6715 B16R2.78760 Cc1cc(ccc1[N+](=O)[O-])OCC2CO2 7a_100000195451_102125554688 [0,1,0,1,0,0|0,0,0]=2 6716 B16R2.78760 Cc1cc(ccc1[N+](=O)[O-])OCC2CS2 7a_100000195451_100000031435 [0,1,0,1,0,0|0,1,0]=3 6717 B16R2.78760 Cc1cc(ccc1[N+](=O)[O-])OC[C@@H]2CO2 7a_100000195451_100000745022 [0,1,0,1,0,0|0,0,0]=2 6718 B16R2.78760 NC(=O)c1ccc(cc1Cl)OCC2CO2 34a_100011997949_102125554688 [0,1,0,1,0,0|2,0,0]=4 6719 B16R2.78760 NC(=O)c1ccc(cc1Cl)OCC2CO2 7a_100011997949_102125554688 [0,1,0,1,0,0|2,0,0]=4 6720 B16R2.78760 NC(=O)c1ccc(cc1Cl)OC[C@@H]2CO2 7a_100011997949_100000745022 [0,1,0,1,0,0|2,0,0]=4 6721 B16R2.78760 NC(=O)c1ccc(cc1F)OCC2CO2 34a_200012186767_102125554688 [0,1,0,1,0,0|2,0,0]=4 6722 B16R2.78760 NC(=O)c1ccc(cc1F)OCC2CO2 7a_200012186767_102125554688 [0,1,0,1,0,0|2,0,0]=4 6723 B16R2.78760 NC(=O)c1ccc(cc1F)OC[C@@H]2CO2 7a_200012186767_100000745022 [0,1,0,1,0,0|2,0,0]=4 6724 B16R2.78760 NC(=O)c1ccc(cc1N)OCC2CO2 34a_100012186684_102125554688 [0,1,0,1,0,0|2,0,0]=4 6725 B16R2.78760 NC(=O)c1ccc(cc1N)OCC2CO2 7a_100012186684_102125554688 [0,1,0,1,0,0|2,0,0]=4 6726 B16R2.78760 NC(=O)c1ccc(cc1N)OC[C@@H]2CO2 7a_100012186684_100000745022 [0,1,0,1,0,0|2,0,0]=4 6727 B16R2.78760 Nc1cc(ccc1[N+](=O)[O-])OCC2CC2 7a_100000729835_100000742324 [0,1,0,1,0,0|1,0,0]=3 6728 B16R2.78760 Nc1cc(ccc1[N+](=O)[O-])OCC2CO2 7a_100000729835_102125554688 [0,1,0,1,0,0|0,0,0]=2 6729 B16R2.78760 Nc1cc(ccc1[N+](=O)[O-])OCC2CS2 7a_100000729835_100000031435 [0,1,0,1,0,0|0,1,0]=3 6730 B16R2.78760 Nc1cc(ccc1[N+](=O)[O-])OC[C@@H]2CO2 7a_100000729835_100000745022 [0,1,0,1,0,0|0,0,0]=2 6731 B16R2.78760 O=[N+]([O-])c1ccc(cc1Br)NCC2CC2 7a_100000693983_100000742324 [0,1,0,1,0,0|2,0,0]=4 6732 B16R2.78760 O=[N+]([O-])c1ccc(cc1Br)NCC2CO2 7a_100000693983_102125554688 [0,1,0,1,0,0|1,0,0]=3 6733 B16R2.78760 O=[N+]([O-])c1ccc(cc1Br)NCC2CS2 7a_100000693983_100000031435 [0,1,0,1,0,0|1,1,0]=4 6734 B16R2.78760 O=[N+]([O-])c1ccc(cc1Br)NC[C@@H]2CO2 7a_100000693983_100000745022 [0,1,0,1,0,0|1,0,0]=3 6735 B16R2.78760 O=[N+]([O-])c1ccc(cc1Br)OCC2CC2 34a_100012356988_100000742324 [0,1,0,1,0,0|1,0,0]=3 6736 B16R2.78760 O=[N+]([O-])c1ccc(cc1Br)OCC2CC2 7a_100012356988_100000742324 [0,1,0,1,0,0|1,0,0]=3 6737 B16R2.78760 O=[N+]([O-])c1ccc(cc1Br)OCC2CO2 34a_100012356988_102125554688 [0,1,0,1,0,0|0,0,0]=2 6738 B16R2.78760 O=[N+]([O-])c1ccc(cc1Br)OCC2CO2 7a_100012356988_102125554688 [0,1,0,1,0,0|0,0,0]=2 6739 B16R2.78760 O=[N+]([O-])c1ccc(cc1Br)OCC2CS2 7a_100012356988_100000031435 [0,1,0,1,0,0|0,1,0]=3 6740 B16R2.78760 O=[N+]([O-])c1ccc(cc1Br)OC[C@@H]2CO2 7a_100012356988_100000745022 [0,1,0,1,0,0|0,0,0]=2 6741 B16R2.78760 O=[N+]([O-])c1ccc(cc1Cl)OCC2CC2 34a_100000746235_100000742324 [0,1,0,1,0,0|1,0,0]=3 6742 B16R2.78760 O=[N+]([O-])c1ccc(cc1Cl)OCC2CC2 7a_100000746235_100000742324 [0,1,0,1,0,0|1,0,0]=3 6743 B16R2.78760 O=[N+]([O-])c1ccc(cc1Cl)OCC2CO2 34a_100000746235_102125554688 [0,1,0,1,0,0|0,0,0]=2 6744 B16R2.78760 O=[N+]([O-])c1ccc(cc1Cl)OCC2CO2 7a_100000746235_102125554688 [0,1,0,1,0,0|0,0,0]=2 6745 B16R2.78760 O=[N+]([O-])c1ccc(cc1Cl)OCC2CS2 7a_100000746235_100000031435 [0,1,0,1,0,0|0,1,0]=3 6746 B16R2.78760 O=[N+]([O-])c1ccc(cc1Cl)OC[C@@H]2CO2 7a_100000746235_100000745022 [0,1,0,1,0,0|0,0,0]=2 6747 B16R2.78760 O=[N+]([O-])c1ccc(cc1F)NCC2CC2 34a_100000741728_100000742324 [0,1,0,1,0,0|2,0,0]=4 6748 B16R2.78760 O=[N+]([O-])c1ccc(cc1F)NCC2CC2 7a_100000741728_100000742324 [0,1,0,1,0,0|2,0,0]=4 6749 B16R2.78760 O=[N+]([O-])c1ccc(cc1F)NCC2CO2 34a_100000741728_102125554688 [0,1,0,1,0,0|1,0,0]=3 6750 B16R2.78760 O=[N+]([O-])c1ccc(cc1F)NCC2CO2 7a_100000741728_102125554688 [0,1,0,1,0,0|1,0,0]=3 6751 B16R2.78760 O=[N+]([O-])c1ccc(cc1F)NCC2CS2 7a_100000741728_100000031435 [0,1,0,1,0,0|1,1,0]=4 6752 B16R2.78760 O=[N+]([O-])c1ccc(cc1F)NC[C@@H]2CO2 7a_100000741728_100000745022 [0,1,0,1,0,0|1,0,0]=3 6753 B16R2.78760 O=[N+]([O-])c1ccc(cc1F)OCC2CC2 7a_100000745333_100000742324 [0,1,0,1,0,0|1,0,0]=3 6754 B16R2.78760 O=[N+]([O-])c1ccc(cc1F)OCC2CO2 7a_100000745333_102125554688 [0,1,0,1,0,0|0,0,0]=2 6755 B16R2.78760 O=[N+]([O-])c1ccc(cc1F)OCC2CS2 7a_100000745333_100000031435 [0,1,0,1,0,0|0,1,0]=3 6756 B16R2.78760 O=[N+]([O-])c1ccc(cc1F)OC[C@@H]2CO2 7a_100000745333_100000745022 [0,1,0,1,0,0|0,0,0]=2 6757 B16R2.78760 O=[N+]([O-])c1ccc(cc1I)OCC2CC2 7a_100010243554_100000742324 [0,1,0,1,0,0|1,0,0]=3 6758 B16R2.78760 O=[N+]([O-])c1ccc(cc1I)OCC2CO2 7a_100010243554_102125554688 [0,1,0,1,0,0|0,0,0]=2 6759 B16R2.78760 O=[N+]([O-])c1ccc(cc1I)OCC2CS2 7a_100010243554_100000031435 [0,1,0,1,0,0|0,1,0]=3 6760 B16R2.78760 O=[N+]([O-])c1ccc(cc1I)OC[C@@H]2CO2 7a_100010243554_100000745022 [0,1,0,1,0,0|0,0,0]=2 6761 B16R2.78778 Cc1cc(ccc1[N+](=O)[O-])NC2CCC2 34a_100000745639_100000749161 [0,1,0,1,0,0|2,0,0]=4 6762 B16R2.78778 Cc1cc(ccc1[N+](=O)[O-])OC2CCC2 34a_100000195451_100000749161 [0,1,0,1,0,0|1,0,0]=3 6763 B16R2.78778 Cc1cc(ccc1[N+](=O)[O-])OC2COC2 34a_100000195451_100009818527 [0,1,0,1,0,0|2,0,0]=4 6764 B16R2.78778 Cc1cc(ccc1[N+](=O)[O-])OC2COC2 7a_100000195451_100009818527 [0,1,0,1,0,0|2,0,0]=4 6765 B16R2.78778 Nc1cc(ccc1[N+](=O)[O-])OC2COC2 7a_100000729835_100009818527 [0,1,0,1,0,0|2,0,0]=4 6766 B16R2.78778 O=[N+]([O-])c1ccc(cc1Br)OC2CCC2 34a_100012356988_100000749161 [0,1,0,1,0,0|1,0,0]=3 6767 B16R2.78778 O=[N+]([O-])c1ccc(cc1Br)OC2COC2 34a_100012356988_100009818527 [0,1,0,1,0,0|2,0,0]=4 6768 B16R2.78778 O=[N+]([O-])c1ccc(cc1Br)OC2COC2 7a_100012356988_100009818527 [0,1,0,1,0,0|2,0,0]=4 6769 B16R2.78778 O=[N+]([O-])c1ccc(cc1Cl)OC2CCC2 34a_100000746235_100000749161 [0,1,0,1,0,0|1,0,0]=3 6770 B16R2.78778 O=[N+]([O-])c1ccc(cc1Cl)OC2COC2 34a_100000746235_100009818527 [0,1,0,1,0,0|2,0,0]=4 6771 B16R2.78778 O=[N+]([O-])c1ccc(cc1Cl)OC2COC2 7a_100000746235_100009818527 [0,1,0,1,0,0|2,0,0]=4 6772 B16R2.78778 O=[N+]([O-])c1ccc(cc1F)NC2CCC2 34a_100000741728_100000749161 [0,1,0,1,0,0|2,0,0]=4 6773 B16R2.78778 O=[N+]([O-])c1ccc(cc1F)OC2COC2 7a_100000745333_100009818527 [0,1,0,1,0,0|2,0,0]=4 6774 B16R2.78778 O=[N+]([O-])c1ccc(cc1I)OC2COC2 7a_100010243554_100009818527 [0,1,0,1,0,0|2,0,0]=4 6775 B16R2.27310 CN(CC1CC1)c2ccc(cc2)[N+](=O)[O-] 2230a_100000156523_100000742324 [0,1,0,1,0,0|2,0,0]=4 6776 B16R2.27310 CN(CC1CC1)c2ccc(cc2)[N+](=O)[O-] 269982a_100000156523_100000756562 [0,1,0,1,0,0|2,0,0]=4 6777 B16R2.27310 CN(CC1CC1)c2ccc(cc2)[N+](=O)[O-] 34a_100000156523_100000742324 [0,1,0,1,0,0|2,0,0]=4 6778 B16R2.27310 CN(CC1CO1)c2ccc(cc2)[N+](=O)[O-] 2230a_100000156523_100011216344 [0,1,0,1,0,0|1,0,0]=3 6779 B16R2.27310 CN(CC1CO1)c2ccc(cc2)[N+](=O)[O-] 269982a_100000156523_102125554688 [0,1,0,1,0,0|1,0,0]=3 6780 B16R2.27310 CN(CC1CO1)c2ccc(cc2)[N+](=O)[O-] 34a_100000156523_102125554688 [0,1,0,1,0,0|1,0,0]=3 6781 B16R2.27310 CN(CC1CS1)c2ccc(cc2)[N+](=O)[O-] 269982a_100000156523_100000031435 [0,1,0,1,0,0|1,1,0]=4 6782 B16R2.27310 CN(C[C@@H]1CO1)c2ccc(cc2)[N+](=O)[O-] 269982a_100000156523_100000745022 [0,1,0,1,0,0|1,0,0]=3 6783 B16R2.27310 O=C(CC1CC1)c2ccc(cc2)[N+](=O)[O-] 1458a_100000185811_100000742324 [0,1,0,1,0,0|2,0,0]=4 6784 B16R2.27310 O=C(CC1CO1)c2ccc(cc2)[N+](=O)[O-] 1458a_100000185811_100011216344 [0,1,0,1,0,0|1,0,0]=3 6785 B16R2.27310 O=C(CC1CS1)c2ccc(cc2)[N+](=O)[O-] 1458a_100000185811_100000031435 [0,1,0,1,0,0|1,1,0]=4 6786 B16R2.27310 O=C(C[C@@H]1CO1)c2ccc(cc2)[N+](=O)[O-] 1458a_100000185811_100000745022 [0,1,0,1,0,0|1,0,0]=3 6787 B16R2.144307 CN(c1ccc(cc1)[N+](=O)[O-])C2CCC2 269982a_100000156523_100000749161 [0,1,0,1,0,0|2,0,0]=4 6788 B16R2.144307 CN(c1ccc(cc1)[N+](=O)[O-])C2CCC2 34a_100000156523_100000749161 [0,1,0,1,0,0|2,0,0]=4 6789 B16R2.144307 O=C(c1ccc(cc1)[N+](=O)[O-])C2CCC2 1458a_100000185811_100000749161 [0,1,0,1,0,0|2,0,0]=4 6790 B16R2.27307 O=C(Cc1ccc(cc1)[N+](=O)[O-])C2CO2 1458a_100000701028_100000181861 [0,1,0,1,0,0|1,0,1]=4 6791 B16R2.27307 O=C(Nc1ccc(cc1)[N+](=O)[O-])C2CO2 11a_100015195142_100000701028 [0,1,0,1,0,0|1,0,1]=4 6792 B16R2.27307 O=C(Nc1ccc(cc1)[N+](=O)[O-])C2CO2 1626a_100015195142_100000701028 [0,1,0,1,0,0|1,0,1]=4 6793 B14R1.68 CC(=O)Cc1ccc(cc1)OCCO 34a_100011218180_100000211926 [1,0,0,0,0,1|2,0,0]=4 6794 B14R1.68 CC(=O)Cc1ccc(cc1)OCCO 7a_100011218180_100000211926 [1,0,0,0,0,1|2,0,0]=4 6795 B14R1.68 CC(=O)Nc1ccc(cc1)OCCO 22a_100000754363_100000070787 [1,0,0,0,0,1|2,0,0]=4 6796 B14R1.68 CC(=O)Nc1ccc(cc1)OCCO 34a_100000184395_100000211926 [1,0,0,0,0,1|2,0,0]=4 6797 B14R1.68 CC(=O)Nc1ccc(cc1)OCCO 527a_100000754363_100103153847 [1,0,0,0,0,1|2,0,0]=4 6798 B14R1.68 CC(=O)Nc1ccc(cc1)OCCO 7a_100000184395_100000211926 [1,0,0,0,0,1|2,0,0]=4 6799 B14R1.68 CCCOc1ccc(cc1)CC(=O)C 1458a_100000070787_100000691472 [1,0,0,0,0,1|2,0,0]=4 6800 B14R1.68 CCCOc1ccc(cc1)CC(=O)C 1458a_200000230827_200000210301 [1,0,0,0,0,1|2,0,0]=4 6801 B14R1.68 CCCOc1ccc(cc1)CC(=O)C 34a_100011218180_100000210303 [1,0,0,0,0,1|2,0,0]=4 6802 B14R1.68 CCCOc1ccc(cc1)CC(=O)C 7a_100011218180_100000210303 [1,0,0,0,0,1|2,0,0]=4 6803 B14R1.68 CCCOc1ccc(cc1)CC(=O)N 34a_100000020825_100000210303 [1,0,0,0,0,1|2,0,0]=4 6804 B14R1.68 CCCOc1ccc(cc1)CC(=O)[13CH3] 1458a_200000230827_200025704644 [1,0,0,0,0,1|2,0,0]=4 6805 B14R1.68 CCCOc1ccc(cc1)NC(=O)C 11a_100000748631_100015343762 [1,0,0,0,0,1|2,0,0]=4 6806 B14R1.68 CCCOc1ccc(cc1)NC(=O)C 1626a_100000748631_100015343762 [1,0,0,0,0,1|2,0,0]=4 6807 B14R1.68 CCCOc1ccc(cc1)NC(=O)C 22a_100000748631_100000070787 [1,0,0,0,0,1|2,0,0]=4 6808 B14R1.68 CCCOc1ccc(cc1)NC(=O)C 34a_100000184395_100000210303 [1,0,0,0,0,1|2,0,0]=4 6809 B14R1.68 CCCOc1ccc(cc1)NC(=O)C 527a_100000748631_100103153847 [1,0,0,0,0,1|2,0,0]=4 6810 B14R1.68 CCCOc1ccc(cc1)NC(=O)C 7a_100000184395_100000210303 [1,0,0,0,0,1|2,0,0]=4 6811 B14R1.68 NC(=O)Cc1ccc(cc1)OCCO 34a_100000020825_100000211926 [1,0,0,0,0,1|2,0,0]=4 6812 B14R1.899 C#CCCOc1cccc(c1)[N+](=O)[O-] 34a_100000185994_100000688953 [0,0,0,0,1,1|1,0,1]=4 6813 B14R1.899 C#CCCOc1cccc(c1)[N+](=O)[O-] 7a_100000185994_100000688953 [0,0,0,0,1,1|1,0,1]=4 6814 B14R1.899 C#CCCOc1cncc(c1)[N+](=O)[O-] 34a_100009862860_100000688953 [0,0,0,0,1,1|1,0,1]=4 6815 B14R1.899 C#CCCOc1cncc(c1)[N+](=O)[O-] 7a_100009862860_100000688953 [0,0,0,0,1,1|1,0,1]=4 6816 B14R1.899 C=CCCOc1cccc(c1)[N+](=O)[O-] 34a_100000185994_100000754431 [0,0,0,0,1,1|1,0,1]=4 6817 B14R1.899 C=CCCOc1cccc(c1)[N+](=O)[O-] 7a_100000185994_100000754431 [0,0,0,0,1,1|1,0,1]=4 6818 B14R1.899 C=CCCOc1cncc(c1)[N+](=O)[O-] 34a_100009862860_100000754431 [0,0,0,0,1,1|1,0,1]=4 6819 B14R1.899 C=CCCOc1cncc(c1)[N+](=O)[O-] 7a_100009862860_100000754431 [0,0,0,0,1,1|1,0,1]=4 6820 B14R1.899 CC(=O)c1cccc(c1)OCCCO 34a_100000211620_100000230001 [0,0,0,0,1,1|2,0,0]=4 6821 B14R1.899 CC(=O)c1cccc(c1)OCCCO 7a_100000211620_100011215043 [0,0,0,0,1,1|2,0,0]=4 6822 B14R1.899 CCCCNc1cccc(c1)[N+](=O)[O-] 34a_100000184103_100000210210 [0,0,0,0,1,1|2,0,0]=4 6823 B14R1.899 CCCCOc1cccc(c1)[N+](=O)[O-] 34a_100000185994_100000210210 [0,0,0,0,1,1|1,0,0]=3 6824 B14R1.899 CCCCOc1cccc(c1)[N+](=O)[O-] 7a_100000185994_100000210211 [0,0,0,0,1,1|1,0,0]=3 6825 B14R1.899 CCCCOc1cncc(c1)[N+](=O)[O-] 34a_100009862860_100000210210 [0,0,0,0,1,1|1,0,0]=3 6826 B14R1.899 CCCCOc1cncc(c1)[N+](=O)[O-] 7a_100009862860_100000210211 [0,0,0,0,1,1|1,0,0]=3 6827 B14R1.899 CNCCOc1cccc(c1)[N+](=O)[O-] 2230a_106832991635_100000740009 [0,0,0,0,1,1|2,0,0]=4 6828 B14R1.899 CNCCOc1cccc(c1)[N+](=O)[O-] 2230a_114901603665_200000210301 [0,0,0,0,1,1|2,0,0]=4 6829 B14R1.899 CNCCOc1cccc(c1)[N+](=O)[O-] 34a_100102657272_100000740009 [0,0,0,0,1,1|2,0,0]=4 6830 B14R1.899 CNCCOc1cccc(c1)[N+](=O)[O-] 34a_114901603665_200000210301 [0,0,0,0,1,1|2,0,0]=4 6831 B14R1.899 CNCCOc1cccc(c1)[N+](=O)[O-] 7a_106832991635_100000740009 [0,0,0,0,1,1|2,0,0]=4 6832 B14R1.899 COCCOc1cccc(c1)[N+](=O)[O-] 34a_100000185994_100011201679 [0,0,0,0,1,1|2,0,0]=4 6833 B14R1.899 COCCOc1cccc(c1)[N+](=O)[O-] 34a_100138415774_100000740009 [0,0,0,0,1,1|2,0,0]=4 6834 B14R1.899 COCCOc1cccc(c1)[N+](=O)[O-] 7a_100000185994_100000233755 [0,0,0,0,1,1|2,0,0]=4 6835 B14R1.899 COCCOc1cncc(c1)[N+](=O)[O-] 34a_100009862860_100011201679 [0,0,0,0,1,1|2,0,0]=4 6836 B14R1.899 COCCOc1cncc(c1)[N+](=O)[O-] 7a_100009862860_100000233755 [0,0,0,0,1,1|2,0,0]=4 6837 B14R1.899 CSCCOc1cccc(c1)[N+](=O)[O-] 34a_100000185994_100000212216 [0,0,0,0,1,1|2,0,0]=4 6838 B14R1.899 CSCCOc1cccc(c1)[N+](=O)[O-] 62a_200000210301_100000740009 [0,0,0,0,1,1|2,0,0]=4 6839 B14R1.899 CSCCOc1cccc(c1)[N+](=O)[O-] 7a_100000185994_100000212216 [0,0,0,0,1,1|2,0,0]=4 6840 B14R1.899 CSCCOc1cncc(c1)[N+](=O)[O-] 34a_100009862860_100000212216 [0,0,0,0,1,1|2,0,0]=4 6841 B14R1.899 CSCCOc1cncc(c1)[N+](=O)[O-] 7a_100009862860_100000212216 [0,0,0,0,1,1|2,0,0]=4 6842 B14R1.899 N#CCCOc1cccc(c1)[N+](=O)[O-] 7a_100000185994_100000184422 [0,0,0,0,1,1|1,0,1]=4 6843 B14R1.899 N#CCCOc1cncc(c1)[N+](=O)[O-] 7a_100009862860_100000184422 [0,0,0,0,1,1|1,0,1]=4 6844 B14R1.899 NC(=O)c1cccc(c1)OCCCO 34a_100000162170_100000230001 [0,0,0,0,1,1|2,0,0]=4 6845 B14R1.899 NC(=O)c1cccc(c1)OCCCO 7a_100000162170_100011215043 [0,0,0,0,1,1|2,0,0]=4 6846 B14R1.899 NC(=O)c1cncc(c1)OCCCO 7a_100000698036_100011215043 [0,0,0,0,1,1|2,0,0]=4 6847 B14R1.899 O=[N+]([O-])c1cccc(c1)CNCCO 207a_100000210304_100000185827 [0,0,0,0,1,1|2,0,0]=4 6848 B14R1.899 O=[N+]([O-])c1cccc(c1)CNCCO 2230a_100000755791_100000211926 [0,0,0,0,1,1|2,0,0]=4 6849 B14R1.899 O=[N+]([O-])c1cccc(c1)CNCCO 2230a_100016997473_100000737091 [0,0,0,0,1,1|2,0,0]=4 6850 B14R1.899 O=[N+]([O-])c1cccc(c1)CNCCO 270004a_100000210304_100000185827 [0,0,0,0,1,1|2,0,0]=4 6851 B14R1.899 O=[N+]([O-])c1cccc(c1)CNCCO 34a_100000755791_100000211926 [0,0,0,0,1,1|2,0,0]=4 6852 B14R1.899 O=[N+]([O-])c1cccc(c1)CNCCO 34a_100016990907_100000737091 [0,0,0,0,1,1|2,0,0]=4 6853 B14R1.899 O=[N+]([O-])c1cccc(c1)COCCO 34a_100000238370_100000211926 [0,0,0,0,1,1|2,0,0]=4 6854 B14R1.899 O=[N+]([O-])c1cccc(c1)COCCO 7a_100000238370_100000211926 [0,0,0,0,1,1|2,0,0]=4 6855 B14R1.899 O=[N+]([O-])c1cccc(c1)CSCCO 62a_100000187168_100000211926 [0,0,0,0,1,1|2,0,0]=4 6856 B14R1.899 O=[N+]([O-])c1cccc(c1)CSCCO 62a_100000211926_100000737091 [0,0,0,0,1,1|2,0,0]=4 6857 B14R1.899 O=[N+]([O-])c1cccc(c1)NCCCF 34a_100000184103_100011934791 [0,0,0,0,1,1|2,0,0]=4 6858 B14R1.899 O=[N+]([O-])c1cccc(c1)NCCCO 34a_100000184103_100000230001 [0,0,0,0,1,1|1,0,0]=3 6859 B14R1.899 O=[N+]([O-])c1cccc(c1)OCCCF 34a_100000185994_100011934791 [0,0,0,0,1,1|1,0,0]=3 6860 B14R1.899 O=[N+]([O-])c1cccc(c1)OCCCF 7a_100000185994_100011934791 [0,0,0,0,1,1|1,0,0]=3 6861 B14R1.899 O=[N+]([O-])c1cccc(c1)OCCCO 34a_100000185994_100000230001 [0,0,0,0,1,1|0,0,0]=2 6862 B14R1.899 O=[N+]([O-])c1cccc(c1)OCCCO 7a_100000185994_100011215043 [0,0,0,0,1,1|0,0,0]=2 6863 B14R1.899 O=[N+]([O-])c1ccnc(c1)CNCCO 2230a_100016997473_100010177786 [0,0,0,0,1,1|2,0,0]=4 6864 B14R1.899 O=[N+]([O-])c1ccnc(c1)CNCCO 270004a_100000210304_200000085670 [0,0,0,0,1,1|2,0,0]=4 6865 B14R1.899 O=[N+]([O-])c1ccnc(c1)CNCCO 34a_100016990907_100010177786 [0,0,0,0,1,1|2,0,0]=4 6866 B14R1.899 O=[N+]([O-])c1ccnc(c1)CSCCO 62a_100000211926_100010177786 [0,0,0,0,1,1|2,0,0]=4 6867 B14R1.899 O=[N+]([O-])c1ccnc(c1)CSCCO 62a_100010177786_100000211926 [0,0,0,0,1,1|2,0,0]=4 6868 B14R1.899 O=[N+]([O-])c1cncc(c1)OCCCF 34a_100009862860_100011934791 [0,0,0,0,1,1|1,0,0]=3 6869 B14R1.899 O=[N+]([O-])c1cncc(c1)OCCCF 7a_100009862860_100011934791 [0,0,0,0,1,1|1,0,0]=3 6870 B14R1.899 O=[N+]([O-])c1cncc(c1)OCCCO 34a_100009862860_100000230001 [0,0,0,0,1,1|0,0,0]=2 6871 B14R1.899 O=[N+]([O-])c1cncc(c1)OCCCO 7a_100009862860_100011215043 [0,0,0,0,1,1|0,0,0]=2 6872 B14R1.899 [13CH3]NCCOc1cccc(c1)[N+](=O)[O-] 2230a_114901603665_200025704644 [0,0,0,0,1,1|2,0,0]=4 6873 B14R1.899 [13CH3]NCCOc1cccc(c1)[N+](=O)[O-] 34a_114901603665_200025704644 [0,0,0,0,1,1|2,0,0]=4 6874 B14R1.899 [13CH3]SCCOc1cccc(c1)[N+](=O)[O-] 62a_200025704644_100000740009 [0,0,0,0,1,1|2,0,0]=4 6875 B16R1.666 C#CCCOc1ccc(cc1)/C=C/[N+](=O)[O-] 34a_100102610870_100000688953 [0,0,0,0,0,2|1,0,1]=4 6876 B16R1.666 C=CCCOc1ccc(cc1)/C=C/[N+](=O)[O-] 34a_100102610870_100000754431 [0,0,0,0,0,2|1,0,1]=4 6877 B16R1.666 C=CCCOc1ccc(cc1)SC[N+](=O)[O-] 62a_100012049633_100000761209 [0,0,0,0,0,2|1,0,1]=4 6878 B16R1.666 CC(=O)/C=C/c1ccc(cc1)OCCCO 34a_100000189429_100000230001 [0,0,0,0,0,2|2,0,0]=4 6879 B16R1.666 CC(=O)CCc1ccc(cc1)OCCCO 34a_100000198047_100000230001 [0,0,0,0,0,2|2,0,0]=4 6880 B16R1.666 CC(=O)CCc1ccc(cc1)OCCCO 7a_100000198047_100011215043 [0,0,0,0,0,2|2,0,0]=4 6881 B16R1.666 CCCCCc1ccc(cc1)NC[N+](=O)[O-] 34a_100000211775_100000761209 [0,0,0,0,0,2|2,0,0]=4 6882 B16R1.666 CCCCCc1ccc(cc1)OC[N+](=O)[O-] 34a_100000179804_100000761209 [0,0,0,0,0,2|2,0,0]=4 6883 B16R1.666 CCCCCc1ccc(cc1)SC[N+](=O)[O-] 62a_100009813665_100000761209 [0,0,0,0,0,2|2,0,0]=4 6884 B16R1.666 CCCCOc1ccc(cc1)/C=C/[N+](=O)[O-] 34a_100102610870_100000210210 [0,0,0,0,0,2|1,0,0]=3 6885 B16R1.666 CCCCOc1ccc(cc1)NCC(=O)[O-] 34a_100011194258_100020667443 [0,0,0,0,0,2|2,0,0]=4 6886 B16R1.666 CCCCOc1ccc(cc1)NC[N+](=O)[O-] 34a_100011194258_100000761209 [0,0,0,0,0,2|1,0,0]=3 6887 B16R1.666 CCCCOc1ccc(cc1)OCC(=O)[O-] 34a_100011215020_100020667443 [0,0,0,0,0,2|2,0,0]=4 6888 B16R1.666 CCCCOc1ccc(cc1)OC[N+](=O)[O-] 34a_100011215020_100000761209 [0,0,0,0,0,2|1,0,0]=3 6889 B16R1.666 CCCCOc1ccc(cc1)SCC(=O)[O-] 62a_100020667443_100000230682 [0,0,0,0,0,2|2,0,0]=4 6890 B16R1.666 COCCOc1ccc(cc1)/C=C/[N+](=O)[O-] 34a_100102610870_100011201679 [0,0,0,0,0,2|2,0,0]=4 6891 B16R1.666 COCCOc1ccc(cc1)NC[N+](=O)[O-] 34a_100000739146_100000761209 [0,0,0,0,0,2|2,0,0]=4 6892 B16R1.666 COCCOc1ccc(cc1)OC[N+](=O)[O-] 34a_100000726821_100000761209 [0,0,0,0,0,2|2,0,0]=4 6893 B16R1.666 COCCOc1ccc(cc1)SC[N+](=O)[O-] 62a_100000234135_100000761209 [0,0,0,0,0,2|2,0,0]=4 6894 B16R1.666 CSCCOc1ccc(cc1)/C=C/[N+](=O)[O-] 34a_100102610870_100000212216 [0,0,0,0,0,2|2,0,0]=4 6895 B16R1.666 N#CCCOc1ccc(cc1)SC[N+](=O)[O-] 62a_100000172056_100000761209 [0,0,0,0,0,2|1,0,1]=4 6896 B16R1.666 NC(=O)CNc1ccc(cc1)OCCCO 2230a_100000730458_100000747473 [0,0,0,0,0,2|2,0,0]=4 6897 B16R1.666 NC(=O)CNc1ccc(cc1)OCCCO 34a_100000730458_100000187820 [0,0,0,0,0,2|2,0,0]=4 6898 B16R1.666 NC(=O)CSc1ccc(cc1)OCCCO 62a_100000747473_100000756186 [0,0,0,0,0,2|2,0,0]=4 6899 B16R1.666 NC(=O)CSc1ccc(cc1)OCCCO 62a_100000756186_100000747473 [0,0,0,0,0,2|2,0,0]=4 6900 B16R1.666 O=C([O-])CNc1ccc(cc1)OCCCO 34a_100000730458_100020667443 [0,0,0,0,0,2|1,0,0]=3 6901 B16R1.666 O=C([O-])CSc1ccc(cc1)OCCCO 62a_100000756186_100020667443 [0,0,0,0,0,2|1,0,0]=3 6902 B16R1.666 O=C([O-])CSc1ccc(cc1)OCCCO 62a_100020667443_100000756186 [0,0,0,0,0,2|1,0,0]=3 6903 B16R1.666 O=[N+]([O-])/C=C/c1ccc(cc1)OCCCF 34a_100102610870_100011934791 [0,0,0,0,0,2|1,0,0]=3 6904 B16R1.666 O=[N+]([O-])/C=C/c1ccc(cc1)OCCCO 34a_100102610870_100000230001 [0,0,0,0,0,2|0,0,0]=2 6905 B16R1.666 O=[N+]([O-])CNc1ccc(cc1)OCCCO 34a_100000730458_100000761209 [0,0,0,0,0,2|0,0,0]=2 6906 B16R1.666 O=[N+]([O-])CSc1ccc(cc1)CNCCO 62a_100000186819_100000761209 [0,0,0,0,0,2|2,0,0]=4 6907 B16R1.666 O=[N+]([O-])CSc1ccc(cc1)OCCCO 62a_100000756186_100000761209 [0,0,0,0,0,2|0,0,0]=2