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[0,0,0,0,0,1|2,0,0]=3 44 B20R3.30215 C1=CSC(=C1)C2(CCCCC2)NC3CCSCC3 m_270004__8296850__8157340 [0,0,0,0,0,1|2,0,0]=3 45 B20R3.30215 C1=CSC(=C1)C2(CCCCC2)NC3CSCSC3 m_270004__8296850__17507836 [0,0,0,0,0,1|3,0,0]=4 46 B20R3.30215 C1=CSC(=N1)C2(CCCCC2)NC3CCCCC3 m_270004__23853916__8157310 [0,0,0,0,0,1|2,0,0]=3 47 B20R3.30215 C1=CSC(=N1)C2(CCCCC2)NC3CCCOC3 m_270004__23853916__8157396 [0,0,0,0,0,1|3,0,0]=4 48 B20R3.30215 C1=CSC(=N1)C2(CCCCC2)NC3CCCSC3 m_270004__23853916__8157390 [0,0,0,0,0,1|3,0,0]=4 49 B20R3.30215 C1=CSC(=N1)C2(CCCCC2)NC3CCOCC3 m_270004__23853916__7676532 [0,0,0,0,0,1|3,0,0]=4 50 B20R3.30215 C1=CSC(=N1)C2(CCCCC2)NC3CCSCC3 m_270004__23853916__8157340 [0,0,0,0,0,1|3,0,0]=4 51 B20R3.30215 C1=CSC(=N1)C2(CCOCC2)NC3CCCCC3 m_270004__16724720__8157310 [0,0,0,0,0,1|3,0,0]=4 52 B17R2.42 CCNCC(C1=CC=CO1)N2CCCCC2 m_270004__8288686__24715004 [1,0,1,0,0,0|1,1,0]=4 53 B17R2.42 CCNCC(C1=CC=CS1)N2CCOCC2 m_270004__8288678__24715004 [1,0,1,0,0,0|2,0,0]=4 54 B17R2.74044 C#CCCNC1(CCCCC1)C2=CC=CS2 m_2230__7463836__9864532 [1,0,1,0,0,0|0,0,2]=4 55 B17R2.74044 C=CCCNC1(CCCCC1)C2=CC=CS2 m_2230__7463836__8929530 [1,0,1,0,0,0|0,0,2]=4 56 B17R2.74044 CC#CCNC1(CCCCC1)C2=CC=CS2 m_2230__7463836__5581034 [1,0,1,0,0,0|0,0,2]=4 57 B17R2.74044 CCCCNC1(CCCCC1)C2=CC=CS2 m_2230__7463836__22993830 [1,0,1,0,0,0|0,0,0]=2 58 B17R2.74044 CCCCNC1(CCCCC1)C2=NC=CS2 m_2230__22393462__22993830 [1,0,1,0,0,0|1,0,0]=3 59 B17R2.74044 CCCCNC1(CCOCC1)C2=NC=CS2 m_2230__16724714__22993830 [1,0,1,0,0,0|2,0,0]=4 60 B17R2.74044 COCCNC1(CCCCC1)C2=CC=CS2 m_2230__7463836__666874 [1,0,1,0,0,0|1,0,0]=3 61 B17R2.74044 COCCNC1(CCCCC1)C2=NC=CS2 m_2230__22393462__666874 [1,0,1,0,0,0|2,0,0]=4 62 B17R2.74044 CSCCNC1(CCCCC1)C2=CC=CS2 m_2230__7463836__681390 [1,0,1,0,0,0|1,0,0]=3 63 B17R2.74044 CSCCNC1(CCCCC1)C2=NC=CS2 m_2230__22393462__681390 [1,0,1,0,0,0|2,0,0]=4 64 B17R2.74044 FCCCNC1(CCCCC1)C2=CC=CS2 m_2230__7463836__16896936 [1,0,1,0,0,0|1,0,0]=3 65 B17R2.74044 FCCCNC1(CCCCC1)C2=NC=CS2 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m_269862__7192636__9967566 [0,1,1,0,0,0|2,0,0]=4 77 B19R2.15506 CCCCNC(=O)C1(CCCCC1)C2=CC=CS2 m_1626__513532__22108898 [0,1,1,0,0,0|2,0,0]=4 78 B19R2.15506 CCCCOC(=O)C1(CCCCC1)C2=CC=CS2 m_276436__14076536__14099570 [0,1,1,0,0,0|2,0,0]=4 79 B19R2.57794 CCCCCNC1(CCOCC1)C2=NC(=CS2)C m_2230__8992722__5063396 [0,1,1,0,0,0|2,0,0]=4 80 B19R2.1020234 C=C(Br)CCCNC1(CCCCC1)C2=CC=CS2 m_2230__7463836__22489516 [0,1,1,0,0,0|0,0,2]=4 81 B19R2.1020234 C=C(C)CCCNC1(CCCCC1)C2=CC=CS2 m_2230__7463836__13608166 [0,1,1,0,0,0|0,0,1]=3 82 B19R2.1020234 C=C(C)CCCNC1(CCCCC1)C2=NC=CS2 m_2230__22393462__13608166 [0,1,1,0,0,0|1,0,1]=4 83 B19R2.1020234 C=C(Cl)CCCNC1(CCCCC1)C2=CC=CS2 m_2230__7463836__14423964 [0,1,1,0,0,0|0,0,2]=4 84 B19R2.1020234 CC(=CCCNC1(CCCCC1)C2=CC=CS2)C m_2230__7463836__12121626 [0,1,1,0,0,0|0,0,2]=4 85 B19R2.1020234 CC(=O)OCCNC1(CCCCC1)C2=CC=CS2 m_2230__7463836__22601256 [0,1,1,0,0,0|1,0,1]=4 86 B19R2.1020234 CC(C)CCCNC1(CCCCC1)C2=CC=CS2 m_270004__8296850__9139706 [0,1,1,0,0,0|0,0,0]=2 87 B19R2.1020234 CC(C)CCCNC1(CCCCC1)C2=NC=CS2 m_270004__23853916__9139706 [0,1,1,0,0,0|1,0,0]=3 88 B19R2.1020234 CC(C)CCCNC1(CCOCC1)C2=NC=CS2 m_270004__16724720__9139706 [0,1,1,0,0,0|2,0,0]=4 89 B19R2.1020234 CC(C)CCNCC1(CCCCC1)C2=CC=CS2 m_207__5454156__134014 [0,1,1,0,0,0|2,0,0]=4 90 B19R2.1020234 CC(C)OCCNC1(CCCCC1)C2=CC=CS2 m_2230__7463836__666928 [0,1,1,0,0,0|1,0,0]=3 91 B19R2.1020234 CC(C)OCCNC1(CCCCC1)C2=NC=CS2 m_2230__22393462__666928 [0,1,1,0,0,0|2,0,0]=4 92 B19R2.1020234 CC(C)SCCNC1(CCCCC1)C2=CC=CS2 m_2230__7463836__9870384 [0,1,1,0,0,0|1,0,0]=3 93 B19R2.1020234 CC(C)SCCNC1(CCCCC1)C2=NC=CS2 m_2230__22393462__9870384 [0,1,1,0,0,0|2,0,0]=4 94 B19R2.1020234 CC(O)CCCNC1(CCCCC1)C2=CC=CS2 m_2230__7463836__10688176 [0,1,1,0,0,0|0,0,0]=2 95 B19R2.1020234 CC(O)CCCNC1(CCCCC1)C2=NC=CS2 m_2230__22393462__10688176 [0,1,1,0,0,0|1,0,0]=3 96 B19R2.1020234 CC(O)CCCNC1(CCOCC1)C2=NC=CS2 m_2230__16724714__10688176 [0,1,1,0,0,0|2,0,0]=4 97 B19R2.1020234 CN(C)CCCNC1(CCCCC1)C2=CC=CS2 m_2230__7463836__16914126 [0,1,1,0,0,0|1,0,0]=3 98 B19R2.1020234 CN(C)CCCNC1(CCCCC1)C2=NC=CS2 m_2230__22393462__16914126 [0,1,1,0,0,0|2,0,0]=4 99 B19R2.1020234 ClC(Cl)CCCNC1(CCCCC1)C2=CC=CS2 m_2230__7463836__23915484 [0,1,1,0,0,0|1,0,0]=3 100 B19R2.1020234 ClC(Cl)CCCNC1(CCCCC1)C2=NC=CS2 m_2230__22393462__23915484 [0,1,1,0,0,0|2,0,0]=4 101 B19R2.1020234 FC(F)CCCNC1(CCCCC1)C2=CC=CS2 m_2230__7463836__18239802 [0,1,1,0,0,0|1,0,0]=3 102 B19R2.1020234 FC(F)CCCNC1(CCCCC1)C2=NC=CS2 m_2230__22393462__18239802 [0,1,1,0,0,0|2,0,0]=4 103 B19R2.1020234 FC(F)OCCNC1(CCCCC1)C2=CC=CS2 m_2230__7463836__13445088 [0,1,1,0,0,0|2,0,0]=4 104 B19R2.1020234 NC(=O)CCCNC1(CCCCC1)C2=CC=CS2 m_2230__7463836__22374870 [0,1,1,0,0,0|1,0,1]=4 105 B19R2.1150540 C=CCC(C)CNC1(CCCCC1)C2=CC=CS2 m_270004__8296850__23914646 [0,1,1,0,0,0|0,0,2]=4 106 B19R2.1150540 CCCC(C)CNC1(CCCCC1)C2=CC=CS2 m_270004__8296850__8300564 [0,1,1,0,0,0|0,0,0]=2 107 B19R2.1150540 CCCC(C)CNC1(CCCCC1)C2=NC=CS2 m_270004__23853916__8300564 [0,1,1,0,0,0|1,0,0]=3 108 B19R2.1150540 CCCC(C)CNC1(CCOCC1)C2=NC=CS2 m_270004__16724720__8300564 [0,1,1,0,0,0|2,0,0]=4 109 B19R2.1150540 CCCC(C)NCC1(CCCCC1)C2=CC=CS2 m_269862__7198500__7200560 [0,1,1,0,0,0|2,0,0]=4 110 B19R2.1150540 CCCC(O)CNC1(CCCCC1)C2=CC=CS2 m_2230__7463836__15745982 [0,1,1,0,0,0|0,0,0]=2 111 B19R2.1150540 CCCC(O)CNC1(CCCCC1)C2=NC=CS2 m_2230__22393462__15745982 [0,1,1,0,0,0|1,0,0]=3 112 B19R2.1150540 CCCC(O)CNC1(CCOCC1)C2=NC=CS2 m_2230__16724714__15745982 [0,1,1,0,0,0|2,0,0]=4 113 B19R2.1150540 CCNC(=O)CNC1(CCCCC1)C2=CC=CS2 m_2230__7463836__666694 [0,1,1,0,0,0|1,0,1]=4 114 B19R2.1150540 CCOC(=O)CNC1(CCCCC1)C2=CC=CS2 m_2230__7463836__680858 [0,1,1,0,0,0|1,0,1]=4 115 B19R2.1150540 COCC(C)CNC1(CCCCC1)C2=CC=CS2 m_2230__7463836__22384272 [0,1,1,0,0,0|1,0,0]=3 116 B19R2.1150540 COCC(C)CNC1(CCCCC1)C2=NC=CS2 m_2230__22393462__22384272 [0,1,1,0,0,0|2,0,0]=4 117 B19R2.1150540 COC[C@H](O)CNC1(CCCCC1)C2=CC=CS2 m_2230__7463836__8157512 [0,1,1,0,0,0|1,0,0]=3 118 B19R2.1150540 COC[C@H](O)CNC1(CCCCC1)C2=NC=CS2 m_2230__22393462__8157512 [0,1,1,0,0,0|2,0,0]=4 119 B19R2.1150540 CSCC(O)CNC1(CCCCC1)C2=CC=CS2 m_2230__7463836__9048360 [0,1,1,0,0,0|1,0,0]=3 120 B19R2.1150540 CSCC(O)CNC1(CCCCC1)C2=NC=CS2 m_2230__22393462__9048360 [0,1,1,0,0,0|2,0,0]=4 121 B19R2.1150540 OCCC(O)CNC1(CCCCC1)C2=CC=CS2 m_2230__7463836__16726652 [0,1,1,0,0,0|1,0,0]=3 122 B19R2.1150540 OCCC(O)CNC1(CCCCC1)C2=NC=CS2 m_2230__22393462__16726652 [0,1,1,0,0,0|2,0,0]=4 123 B19R2.1405560 CCC(C)CCNC1(CCCCC1)C2=CC=CS2 m_2230__7463836__20058362 [0,1,1,0,0,0|0,0,0]=2 124 B19R2.1405560 CCC(C)CCNC1(CCCCC1)C2=NC=CS2 m_2230__22393462__20058362 [0,1,1,0,0,0|1,0,0]=3 125 B19R2.1405560 CCC(C)CCNC1(CCOCC1)C2=NC=CS2 m_2230__16724714__20058362 [0,1,1,0,0,0|2,0,0]=4 126 B19R2.1405560 CCC(C)CNCC1(CCCCC1)C2=CC=CS2 m_207__5454156__7687310 [0,1,1,0,0,0|2,0,0]=4 127 B19R2.1405560 CCC(O)CCNC1(CCCCC1)C2=CC=CS2 m_2230__7463836__16640714 [0,1,1,0,0,0|0,0,0]=2 128 B19R2.1405560 CCC(O)CCNC1(CCCCC1)C2=NC=CS2 m_2230__22393462__16640714 [0,1,1,0,0,0|1,0,0]=3 129 B19R2.1405560 CCC(O)CCNC1(CCOCC1)C2=NC=CS2 m_2230__16724714__16640714 [0,1,1,0,0,0|2,0,0]=4 130 B19R2.1405560 CCC(O)CNCC1(CCCCC1)C2=CC=CS2 m_273610__11523486__11516276 [0,1,1,0,0,0|2,0,0]=4 131 B19R2.1405560 CCN(C)CCNC1(CCCCC1)C2=CC=CS2 m_2230__7463836__22379568 [0,1,1,0,0,0|1,0,0]=3 132 B19R2.1405560 CCN(C)CCNC1(CCCCC1)C2=NC=CS2 m_2230__22393462__22379568 [0,1,1,0,0,0|2,0,0]=4 133 B19R2.1405560 CCS(=O)CCNC1(CCCCC1)C2=CC=CS2 m_2230__7463836__22376582 [0,1,1,0,0,0|1,0,0]=3 134 B19R2.1405560 CCS(=O)CCNC1(CCCCC1)C2=NC=CS2 m_2230__22393462__22376582 [0,1,1,0,0,0|2,0,0]=4 135 B19R2.1405560 CNC(=O)CCNC1(CCCCC1)C2=CC=CS2 m_2230__7463836__774850 [0,1,1,0,0,0|1,0,1]=4 136 B19R2.1405560 COC(C)CCNC1(CCCCC1)C2=CC=CS2 m_2230__7463836__22384146 [0,1,1,0,0,0|1,0,0]=3 137 B19R2.1405560 COC(C)CCNC1(CCCCC1)C2=NC=CS2 m_2230__22393462__22384146 [0,1,1,0,0,0|2,0,0]=4 138 B19R2.1405560 CSC(C)CCNC1(CCCCC1)C2=CC=CS2 m_270004__8296850__24721392 [0,1,1,0,0,0|1,0,0]=3 139 B19R2.1405560 CSC(C)CCNC1(CCCCC1)C2=NC=CS2 m_270004__23853916__24721392 [0,1,1,0,0,0|2,0,0]=4 140 B19R2.1655553 C#CCCCCNC1(CCCCC1)C2=CC=CS2 m_270004__8296850__17825424 [0,1,1,0,0,0|0,0,1]=3 141 B19R2.1655553 C#CCCCCNC1(CCCCC1)C2=NC=CS2 m_270004__23853916__17825424 [0,1,1,0,0,0|1,0,1]=4 142 B19R2.1655553 C#CCOCCNC1(CCCCC1)C2=CC=CS2 m_2230__7463836__12131330 [0,1,1,0,0,0|0,0,2]=4 143 B19R2.1655553 C=CCCCCNC1(CCCCC1)C2=CC=CS2 m_2230__7463836__17055504 [0,1,1,0,0,0|0,0,1]=3 144 B19R2.1655553 C=CCCCCNC1(CCCCC1)C2=NC=CS2 m_2230__22393462__17055504 [0,1,1,0,0,0|1,0,1]=4 145 B19R2.1655553 C=CCCCNCC1(CCCCC1)C2=CC=CS2 m_270004__8296726__17507834 [0,1,1,0,0,0|0,0,2]=4 146 B19R2.1655553 C=CCOCCNC1(CCCCC1)C2=CC=CS2 m_2230__7463836__13774604 [0,1,1,0,0,0|0,0,2]=4 147 B19R2.1655553 CC#CCCCNC1(CCCCC1)C2=CC=CS2 m_2230__7463836__18185214 [0,1,1,0,0,0|0,0,1]=3 148 B19R2.1655553 CC#CCCCNC1(CCCCC1)C2=NC=CS2 m_2230__22393462__18185214 [0,1,1,0,0,0|1,0,1]=4 149 B19R2.1655553 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[0,1,1,0,0,0|1,0,0]=3 160 B19R2.1655553 CCCOCCNC1(CCOCC1)C2=NC=CS2 m_2230__16724714__15503596 [0,1,1,0,0,0|2,0,0]=4 161 B19R2.1655553 CCOCCCNC1(CCCCC1)C2=CC=CS2 m_2230__7463836__5730886 [0,1,1,0,0,0|0,0,0]=2 162 B19R2.1655553 CCOCCCNC1(CCCCC1)C2=NC=CS2 m_2230__22393462__5730886 [0,1,1,0,0,0|1,0,0]=3 163 B19R2.1655553 CCOCCCNC1(CCOCC1)C2=NC=CS2 m_2230__16724714__5730886 [0,1,1,0,0,0|2,0,0]=4 164 B19R2.1655553 CCSCCCNC1(CCCCC1)C2=CC=CS2 m_2230__7463836__6165712 [0,1,1,0,0,0|0,0,0]=2 165 B19R2.1655553 CCSCCCNC1(CCCCC1)C2=NC=CS2 m_2230__22393462__6165712 [0,1,1,0,0,0|1,0,0]=3 166 B19R2.1655553 CCSCCCNC1(CCOCC1)C2=NC=CS2 m_2230__16724714__6165712 [0,1,1,0,0,0|2,0,0]=4 167 B19R2.1655553 CCSCCNCC1(CCCCC1)C2=CC=CS2 m_270004__8296726__8765926 [0,1,1,0,0,0|1,0,0]=3 168 B19R2.1655553 CCSCCNCC1(CCOCC1)C2=CC=CS2 m_270004__15725154__8765926 [0,1,1,0,0,0|2,0,0]=4 169 B19R2.1655553 COCC#CCNC1(CCCCC1)C2=CC=CS2 m_2230__7463836__22389076 [0,1,1,0,0,0|0,0,2]=4 170 B19R2.1655553 COCCCCNC1(CCCCC1)C2=CC=CS2 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m_2230__22393462__11974698 [0,1,1,0,0,0|2,0,0]=4 192 B19R2.1655553 [N-]=[N+]=NCCCNC1(CCCCC1)C2=CC=CS2 m_2230__7463836__22384394 [0,1,1,0,0,0|2,0,0]=4 193 B19R2.1695589 C#CCCC(C)NC1(CCCCC1)C2=CC=CS2 m_270004__8296850__24722558 [0,1,1,0,0,0|0,0,2]=4 194 B19R2.1695589 C=CCCC(C)NC1(CCCCC1)C2=CC=CS2 m_270004__8296850__8751924 [0,1,1,0,0,0|0,0,2]=4 195 B19R2.1695589 CC(CCCCl)NC1(CCCCC1)C2=CC=CS2 m_270004__8296850__24722580 [0,1,1,0,0,0|1,0,0]=3 196 B19R2.1695589 CC(CCCCl)NC1(CCCCC1)C2=NC=CS2 m_270004__23853916__24722580 [0,1,1,0,0,0|2,0,0]=4 197 B19R2.1695589 CCCCC(=O)NC1(CCCCC1)C2=CC=CS2 m_1626__22039562__515586 [0,1,1,0,0,0|0,0,1]=3 198 B19R2.1695589 CCCCC(=O)NC1(CCCCC1)C2=NC=CS2 m_22__16712376__303718 [0,1,1,0,0,0|1,0,1]=4 199 B19R2.1695589 CCCCC(C)NC1(CCCCC1)C2=CC=CS2 m_270004__8296850__8844922 [0,1,1,0,0,0|0,0,0]=2 200 B19R2.1695589 CCCCC(C)NC1(CCCCC1)C2=NC=CS2 m_270004__23853916__8844922 [0,1,1,0,0,0|1,0,0]=3 201 B19R2.1695589 CCCCC(C)NC1(CCOCC1)C2=NC=CS2 m_270004__16724720__8844922 [0,1,1,0,0,0|2,0,0]=4 202 B19R2.1695589 CCCNC(=O)NC1(CCCCC1)C2=CC=CS2 m_2708__905712__5350240 [0,1,1,0,0,0|1,0,1]=4 203 B19R2.1695589 CCCOC(=O)NC1(CCCCC1)C2=CC=CS2 m_282070__22280588__22151414 [0,1,1,0,0,0|1,0,1]=4 204 B19R2.1695589 CCNCC(=O)NC1(CCCCC1)C2=CC=CS2 m_240690__7365502__7368632 [0,1,1,0,0,0|1,0,1]=4 205 B19R2.1695589 CCOCC(=O)NC1(CCCCC1)C2=CC=CS2 m_1626__22039562__590238 [0,1,1,0,0,0|1,0,1]=4 206 B19R2.1695589 CCOCC(C)NC1(CCCCC1)C2=CC=CS2 m_270004__8296850__8334522 [0,1,1,0,0,0|1,0,0]=3 207 B19R2.1695589 CCOCC(C)NC1(CCCCC1)C2=NC=CS2 m_270004__23853916__8334522 [0,1,1,0,0,0|2,0,0]=4 208 B19R2.1695589 CCSCC(=O)NC1(CCCCC1)C2=CC=CS2 m_1626__22039562__22122508 [0,1,1,0,0,0|1,0,1]=4 209 B19R2.1695589 CNCCC(=O)NC1(CCCCC1)C2=CC=CS2 m_240690__7365502__10126850 [0,1,1,0,0,0|1,0,1]=4 210 B19R2.1695589 COCCC(=O)NC1(CCCCC1)C2=CC=CS2 m_1626__22039562__22013154 [0,1,1,0,0,0|1,0,1]=4 211 B19R2.1695589 COCCC(C)NC1(CCCCC1)C2=CC=CS2 m_270004__8296850__8844978 [0,1,1,0,0,0|1,0,0]=3 212 B19R2.1695589 COCCC(C)NC1(CCCCC1)C2=NC=CS2 m_270004__23853916__8844978 [0,1,1,0,0,0|2,0,0]=4 213 B19R2.1695589 CSCCC(=O)NC1(CCCCC1)C2=CC=CS2 m_1626__22039562__513216 [0,1,1,0,0,0|1,0,1]=4 214 B19R2.1695589 CSCCC(C)NC1(CCCCC1)C2=CC=CS2 m_270004__8296850__24722956 [0,1,1,0,0,0|1,0,0]=3 215 B19R2.1695589 CSCCC(C)NC1(CCCCC1)C2=NC=CS2 m_270004__23853916__24722956 [0,1,1,0,0,0|2,0,0]=4 216 B19R2.1695589 NCCCC(=O)NC1(CCCCC1)C2=CC=CS2 m_240690__7365502__3025682 [0,1,1,0,0,0|1,0,1]=4 217 B19R2.1695589 O=C(CCCF)NC1(CCCCC1)C2=CC=CS2 m_1626__22039562__22116506 [0,1,1,0,0,0|1,0,1]=4 218 B21R3.144751 CC1CCC(CC1)NC2(CCCCC2)C3=CC=CS3 m_270004__8296850__8157298 [0,1,0,0,0,1|1,0,0]=3 219 B21R3.144751 CC1CCC(CC1)NC2(CCCCC2)C3=NC=CS3 m_270004__23853916__8157298 [0,1,0,0,0,1|2,0,0]=4 220 B21R3.144751 CC1CCC(CS1)NC2(CCCCC2)C3=CC=CS3 m_270004__8296850__11759020 [0,1,0,0,0,1|2,0,0]=4 221 B21R3.144751 CN1CCC(CC1)NC2(CCCCC2)C3=CC=CS3 m_270004__8296850__8157304 [0,1,0,0,0,1|2,0,0]=4 222 B21R3.144751 FC1CCC(CC1)NC2(CCCCC2)C3=CC=CS3 m_270004__8296850__24719094 [0,1,0,0,0,1|1,0,0]=3 223 B21R3.144751 FC1CCC(CC1)NC2(CCCCC2)C3=NC=CS3 m_270004__23853916__24719094 [0,1,0,0,0,1|2,0,0]=4 224 B21R3.144751 O=S1CCC(CC1)NC2(CCCCC2)C3=CC=CS3 m_270004__8296850__13397832 [0,1,0,0,0,1|2,0,0]=4 225 B21R3.144751 OC1CCC(CC1)NC2(CCCCC2)C3=CC=CS3 m_270004__8296850__19467784 [0,1,0,0,0,1|1,0,0]=3 226 B21R3.144751 OC1CCC(CC1)NC2(CCCCC2)C3=NC=CS3 m_270004__23853916__19467784 [0,1,0,0,0,1|2,0,0]=4 227 B21R3.150970 CC1CC(CCO1)NC2(CCCCC2)C3=CC=CS3 m_270004__8296850__8331718 [0,1,0,0,0,1|2,0,0]=4 228 B21R3.150970 CC1CCCC(C1)NC2(CCCCC2)C3=CC=CS3 m_270004__8296850__8157332 [0,1,0,0,0,1|1,0,0]=3 229 B21R3.150970 CC1CCCC(C1)NC2(CCCCC2)C3=NC=CS3 m_270004__23853916__8157332 [0,1,0,0,0,1|2,0,0]=4 230 B21R3.217126 F[C@@H]1CCCCC1NC2(CCCCC2)C3=CC=CS3 m_270004__8296850__16655764 [0,1,0,0,0,1|1,0,0]=3 231 B21R3.217126 F[C@@H]1CCCCC1NC2(CCCCC2)C3=NC=CS3 m_270004__23853916__16655764 [0,1,0,0,0,1|2,0,0]=4 232 B21R3.14884912 O=C(N1CC=CCC1)C2(CCCCC2)C3=CC=CS3 m_22__8375916__5343898 [0,1,0,0,0,1|0,0,2]=4 233 B21R3.14884912 O=C(N1CCCC=N1)C2(CCCCC2)C3=CC=CS3 m_22__22595162__5343898 [0,1,0,0,0,1|1,0,1]=4 234 B21R3.14884912 O=C(N1CCCCC1)C2(CCCCC2)C3=CC=CS3 m_22__57669__5343898 [0,1,0,0,0,1|0,0,0]=2 235 B21R3.14884912 O=C(N1CCCCC1)C2(CCOCC2)C3=CC=CS3 m_22__57669__15717114 [0,1,0,0,0,1|1,0,0]=3 236 B21R3.14884912 O=C(N1CCCCN1)C2(CCCCC2)C3=CC=CS3 m_22__10143462__5343898 [0,1,0,0,0,1|1,0,0]=3 237 B21R3.14884912 O=C(N1CCCCN1)C2(CCOCC2)C3=CC=CS3 m_22__10143462__15717114 [0,1,0,0,0,1|2,0,0]=4 238 B21R3.14884912 O=C(N1CCCCO1)C2(CCCCC2)C3=CC=CS3 m_1626__22052140__22108898 [0,1,0,0,0,1|1,0,0]=3 239 B21R3.14884912 O=C(N1CCCCO1)C2(CCOCC2)C3=CC=CS3 m_1626__22052140__22124694 [0,1,0,0,0,1|2,0,0]=4 240 B21R3.14884912 O=C(N1CCCOC1)C2(CCCCC2)C3=CC=CS3 m_11__22166334__5343896 [0,1,0,0,0,1|1,0,0]=3 241 B21R3.14884912 O=C(N1CCCOC1)C2(CCOCC2)C3=CC=CS3 m_11__22166334__15717112 [0,1,0,0,0,1|2,0,0]=4 242 B21R3.14884912 O=C(N1CCCSC1)C2(CCCCC2)C3=CC=CS3 m_11__22168646__5343896 [0,1,0,0,0,1|1,0,0]=3 243 B21R3.14884912 O=C(N1CCCSC1)C2(CCOCC2)C3=CC=CS3 m_11__22168646__15717112 [0,1,0,0,0,1|2,0,0]=4 244 B21R3.14884912 O=C(N1CCNCC1)C2(CCCCC2)C3=CC=CS3 m_240690__7347326__7415812 [0,1,0,0,0,1|1,0,0]=3 245 B21R3.14884912 O=C(N1CCNCC1)C2(CCOCC2)C3=CC=CS3 m_240690__7347326__15717140 [0,1,0,0,0,1|2,0,0]=4 246 B21R3.14884912 O=C(N1CCOCC1)C2(CCCCC2)C3=CC=CS3 m_1626__513334__22108898 [0,1,0,0,0,1|1,0,0]=3 247 B21R3.14884912 O=C(N1CCOCC1)C2(CCOCC2)C3=CC=CS3 m_1626__513334__22124694 [0,1,0,0,0,1|2,0,0]=4 248 B21R3.14884912 O=C(N1CCSCC1)C2(CCCCC2)C3=CC=CS3 m_11__22167434__5343896 [0,1,0,0,0,1|1,0,0]=3 249 B21R3.14884912 O=C(N1CCSCC1)C2(CCOCC2)C3=CC=CS3 m_527__848264__15717116 [0,1,0,0,0,1|2,0,0]=4 250 B19R3.10961 CCCN1CCC2=C(C13CCCCC3)N=CN2 m_2230__13138090__13271112 [0,0,1,1,0,0|2,0,0]=4 251 B19R3.10961 CCCN1CCN2C=CC=C2C13CCCNC3 m_269982__20026004__13271120 [0,0,1,1,0,0|2,0,0]=4 252 B19R3.10961 CCCN1CCN2C=CC=C2C13CCNCC3 m_269982__20026012__13271120 [0,0,1,1,0,0|2,0,0]=4 253 B19R3.10961 CCCN1CCN2C=CC=C2C13CCOCC3 m_2230__22408732__13271112 [0,0,1,1,0,0|2,0,0]=4 254 B19R3.14521 CCN1CCCN2C=CC=C2C13CCOCC3 m_270004__24170220__24715004 [0,0,1,1,0,0|2,0,0]=4 255 B19R3.75377 BrC1CC1CNC2(CCCCC2)C3=CC=CS3 m_2230__7463836__15765426 [0,0,1,1,0,0|1,0,0]=3 256 B19R3.75377 BrC1CC1CNC2(CCCCC2)C3=NC=CS3 m_2230__22393462__15765426 [0,0,1,1,0,0|2,0,0]=4 257 B19R3.75377 CC1CC1CNC2(CCCCC2)C3=CC=CS3 m_2230__7463836__12216598 [0,0,1,1,0,0|0,0,0]=2 258 B19R3.75377 CC1CC1CNC2(CCCCC2)C3=NC=CS3 m_2230__22393462__12216598 [0,0,1,1,0,0|1,0,0]=3 259 B19R3.75377 CC1CC1CNC2(CCOCC2)C3=NC=CS3 m_2230__16724714__12216598 [0,0,1,1,0,0|2,0,0]=4 260 B19R3.75377 C[C@H]1C[C@@H]1CNC2(CCCCC2)C3=CC=CS3 m_2230__7463836__23861446 [0,0,1,1,0,0|0,0,0]=2 261 B19R3.75377 C[C@H]1C[C@@H]1CNC2(CCCCC2)C3=NC=CS3 m_2230__22393462__23861446 [0,0,1,1,0,0|1,0,0]=3 262 B19R3.75377 C[C@H]1C[C@@H]1CNC2(CCOCC2)C3=NC=CS3 m_2230__16724714__23861446 [0,0,1,1,0,0|2,0,0]=4 263 B19R3.75377 ClC1CC1CNC2(CCCCC2)C3=CC=CS3 m_270004__8296850__15344010 [0,0,1,1,0,0|1,0,0]=3 264 B19R3.75377 ClC1CC1CNC2(CCCCC2)C3=NC=CS3 m_270004__23853916__15344010 [0,0,1,1,0,0|2,0,0]=4 265 B19R3.1796121 C1=CSC(=C1)C2(CCCCC2)CNCC3CC3 m_207__5454156__2989440 [0,0,1,1,0,0|2,0,0]=4 266 B19R3.1796121 C1=CSC(=C1)C2(CCCCC2)NCCC3CC3 m_2230__7463836__6109134 [0,0,1,1,0,0|0,0,0]=2 267 B19R3.1796121 C1=CSC(=N1)C2(CCCCC2)NCCC3CC3 m_2230__22393462__6109134 [0,0,1,1,0,0|1,0,0]=3 268 B19R3.1796121 C1=CSC(=N1)C2(CCOCC2)NCCC3CC3 m_2230__16724714__6109134 [0,0,1,1,0,0|2,0,0]=4 269 B19R3.4848624 C1=CSC(=C1)C2(CCCCC2)NCC3CCC3 m_2230__7463836__6007782 [0,0,1,1,0,0|0,0,0]=2 270 B19R3.4848624 C1=CSC(=C1)C2(CCCCC2)NCC3COC3 m_207__5350232__22332602 [0,0,1,1,0,0|1,0,0]=3 271 B19R3.4848624 C1=CSC(=C1)C2(CCCCC2)NC[C@H]3CCO3 m_2230__7463836__17058820 [0,0,1,1,0,0|1,0,0]=3 272 B19R3.4848624 C1=CSC(=N1)C2(CCCCC2)NCC3CCC3 m_2230__22393462__6007782 [0,0,1,1,0,0|1,0,0]=3 273 B19R3.4848624 C1=CSC(=N1)C2(CCCCC2)NCC3COC3 m_2230__22393462__9395418 [0,0,1,1,0,0|2,0,0]=4 274 B19R3.4848624 C1=CSC(=N1)C2(CCCCC2)NC[C@H]3CCO3 m_2230__22393462__17058820 [0,0,1,1,0,0|2,0,0]=4 275 B19R3.4848624 C1=CSC(=N1)C2(CCOCC2)NCC3CCC3 m_2230__16724714__6007782 [0,0,1,1,0,0|2,0,0]=4 276 B19R3.4848625 C1=CSC(=C1)C2(CCCCC2)NC3CCCC3 m_270004__8296850__8157302 [0,0,1,1,0,0|0,0,0]=2 277 B19R3.4848625 C1=CSC(=C1)C2(CCCCC2)NC3CCOC3 m_270004__8296850__8157394 [0,0,1,1,0,0|1,0,0]=3 278 B19R3.4848625 C1=CSC(=C1)C2(CCCCC2)NC3CCSC3 m_270004__8296850__8157326 [0,0,1,1,0,0|1,0,0]=3 279 B19R3.4848625 C1=CSC(=N1)C2(CCCCC2)NC3CCCC3 m_270004__23853916__8157302 [0,0,1,1,0,0|1,0,0]=3 280 B19R3.4848625 C1=CSC(=N1)C2(CCCCC2)NC3CCOC3 m_270004__23853916__8157394 [0,0,1,1,0,0|2,0,0]=4 281 B19R3.4848625 C1=CSC(=N1)C2(CCCCC2)NC3CCSC3 m_270004__23853916__8157326 [0,0,1,1,0,0|2,0,0]=4 282 B19R3.4848625 C1=CSC(=N1)C2(CCOCC2)NC3CCCC3 m_270004__16724720__8157302 [0,0,1,1,0,0|2,0,0]=4 283 B21R4.14958320 C1=CSC(=C1)C2(CCCCC2)NC3CC[C@@H]4[C@H]3C4 m_270004__8296850__24709262 [0,0,0,1,0,1|1,0,0]=3 284 B21R4.14958320 C1=CSC(=N1)C2(CCCCC2)NC3CC[C@@H]4[C@H]3C4 m_270004__23853916__24709262 [0,0,0,1,0,1|2,0,0]=4 285 B21R4.14958336 C1=CSC(=C1)C2(CCCCC2)NC3CC4CC4C3 m_270004__8296850__14423912 [0,0,0,1,0,1|1,0,0]=3 286 B21R4.14958336 C1=CSC(=N1)C2(CCCCC2)NC3CC4CC4C3 m_270004__23853916__14423912 [0,0,0,1,0,1|2,0,0]=4 287 B17R2.8530 CCCCNC(C1=CC=CS1)C2CCCC2 m_2230__19499226__22993830 [0,0,1,0,1,0|2,0,0]=4 288 B17R2.59238 CCCCCNC1(CCCC1)C2=NC=CO2 m_2230__22393830__5063396 [0,0,1,0,1,0|1,1,0]=4 289 B17R2.59238 CCCCCNC1(CCCC1)C2=NC=CS2 m_2230__7463452__5063396 [0,0,1,0,1,0|1,0,0]=3 290 B17R2.59238 CCOCCNC1(CCCC1)C2=NC=CS2 m_2230__7463452__681188 [0,0,1,0,1,0|2,0,0]=4 291 B17R2.59238 CCSCCNC1(CCCC1)C2=NC=CS2 m_2230__7463452__5530594 [0,0,1,0,1,0|2,0,0]=4 292 B17R2.59238 COCCCNC1(CCCC1)C2=NC=CS2 m_2230__7463452__9108922 [0,0,1,0,1,0|2,0,0]=4 293 B17R2.59238 CSCCCNC1(CCCC1)C2=NC=CS2 m_2230__7463452__6165706 [0,0,1,0,1,0|2,0,0]=4 294 B17R2.59238 ClCCCCNC1(CCCC1)C2=NC=CS2 m_270004__8296242__24721168 [0,0,1,0,1,0|2,0,0]=4 295 B17R2.59238 FCCCCNC1(CCCC1)C2=NC=CS2 m_2230__7463452__10157922 [0,0,1,0,1,0|2,0,0]=4 296 B17R2.59238 OCCCCNC1(CCCC1)C2=NC=CS2 m_2230__7463452__3191342 [0,0,1,0,1,0|2,0,0]=4 297 B19R2.542623 CCC(COC)NC1(CCCCC1)C2=CC=CS2 m_270004__8296850__9012870 [0,0,1,0,0,1|2,0,0]=4 298 B19R2.542623 CCC(CSC)NC1(CCCCC1)C2=CC=CS2 m_270004__8296850__24722776 [0,0,1,0,0,1|2,0,0]=4 299 B19R2.542623 CCCC(CC)NC1(CCCCC1)C2=CC=CS2 m_270004__8296850__8798346 [0,0,1,0,0,1|1,0,0]=3 300 B19R2.542623 CCCC(CC)NC1(CCCCC1)C2=NC=CS2 m_270004__23853916__8798346 [0,0,1,0,0,1|2,0,0]=4 301 B19R3.19289 C1=CSC(=N1)C2(CCCC2)NC3CCCCC3 m_270004__8296242__8157310 [0,0,0,0,1,1|2,0,0]=4 302 B21R3.2154227 C1=CCCC(CC1)NC2(CCCCC2)C3=CC=CS3 m_270004__8296850__17656404 [0,0,0,0,0,2|1,0,1]=4 303 B21R3.2154227 C1=CSC(=C1)C2(CCCCC2)NC3CCCCCC3 m_270004__8296850__8157300 [0,0,0,0,0,2|1,0,0]=3 304 B21R3.2154227 C1=CSC(=C1)C2(CCCCC2)NC3CCCOCC3 m_270004__8296850__8798398 [0,0,0,0,0,2|1,0,0]=3 305 B21R3.2154227 C1=CSC(=C1)C2(CCCCC2)NC3CCCSCC3 m_270004__8296850__11947010 [0,0,0,0,0,2|1,0,0]=3 306 B21R3.2154227 C1=CSC(=C1)C2(CCCCC2)NC3COCCOC3 m_270004__8296850__13287008 [0,0,0,0,0,2|2,0,0]=4 307 B21R3.2154227 C1=CSC(=C1)C2(CCCCC2)NC3CSCCSC3 m_270004__8296850__24722590 [0,0,0,0,0,2|2,0,0]=4 308 B21R3.2154227 C1=CSC(=N1)C2(CCCCC2)NC3CCCCCC3 m_270004__23853916__8157300 [0,0,0,0,0,2|2,0,0]=4 309 B21R3.2154227 C1=CSC(=N1)C2(CCCCC2)NC3CCCOCC3 m_270004__23853916__8798398 [0,0,0,0,0,2|2,0,0]=4 310 B21R3.2154227 C1=CSC(=N1)C2(CCCCC2)NC3CCCSCC3 m_270004__23853916__11947010 [0,0,0,0,0,2|2,0,0]=4 311 B21R3.2429829 C1=C(CCCC1)CNC2(CCCCC2)C3=CC=CS3 m_2230__7463836__10856912 [0,0,0,0,0,2|1,0,1]=4 312 B21R3.2429829 C1=CSC(=C1)C2(CCCCC2)CNC3CCCCC3 m_207__5454156__121598 [0,0,0,0,0,2|1,0,0]=3 313 B21R3.2429829 C1=CSC(=C1)C2(CCCCC2)CNC3CCCOC3 m_270004__8296726__8157396 [0,0,0,0,0,2|2,0,0]=4 314 B21R3.2429829 C1=CSC(=C1)C2(CCCCC2)CNC3CCCSC3 m_207__5454156__9295358 [0,0,0,0,0,2|2,0,0]=4 315 B21R3.2429829 C1=CSC(=C1)C2(CCCCC2)CNC3CCOCC3 m_207__5454156__5624874 [0,0,0,0,0,2|2,0,0]=4 316 B21R3.2429829 C1=CSC(=C1)C2(CCCCC2)CNC3CCSCC3 m_207__5454156__121623 [0,0,0,0,0,2|2,0,0]=4 317 B21R3.2429829 C1=CSC(=C1)C2(CCCCC2)NCC3CCCCC3 m_207__5350232__121242 [0,0,0,0,0,2|1,0,0]=3 318 B21R3.2429829 C1=CSC(=C1)C2(CCCCC2)NCC3CCCCO3 m_2230__7463836__666384 [0,0,0,0,0,2|2,0,0]=4 319 B21R3.2429829 C1=CSC(=C1)C2(CCCCC2)NCC3CCCOC3 m_2230__7463836__7348602 [0,0,0,0,0,2|2,0,0]=4 320 B21R3.2429829 C1=CSC(=C1)C2(CCCCC2)NCC3CCOCC3 m_207__5350232__5726270 [0,0,0,0,0,2|2,0,0]=4 321 B21R3.2429829 C1=CSC(=C1)C2(CCCCC2)NCC3CCSCC3 m_270004__8296850__12100624 [0,0,0,0,0,2|2,0,0]=4 322 B21R3.2429829 C1=CSC(=C1)C2(CCOCC2)CNC3CCCCC3 m_207__15725126__121598 [0,0,0,0,0,2|2,0,0]=4 323 B21R3.2429829 C1=CSC(=N1)C2(CCCCC2)NCC3CCCCC3 m_2230__22393462__666824 [0,0,0,0,0,2|2,0,0]=4 324 B21R3.13902945 C1=COC(=N1)NCC2(CCCCC2)N3CCCCC3 m_27__61840__24798458 [0,0,0,0,0,2|1,1,0]=4 325 B21R3.13902945 C1=CSC(=N1)NCC2(CCCCC2)C3CCCCC3 m_27__7965056__8583932 [0,0,0,0,0,2|2,0,0]=4 326 B21R3.13902945 C1=CSC(=N1)NCC2(CCCCC2)N3CCCCC3 m_27__61840__8583932 [0,0,0,0,0,2|1,0,0]=3 327 B21R3.13902945 C1=CSC(=N1)NCC2(CCCCC2)N3CCOCC3 m_27__61908__8583932 [0,0,0,0,0,2|2,0,0]=4 328 B21R3.13902945 C1=CSC(=N1)NCC2(CCCCC2)N3CCSCC3 m_27__4786304__8583932 [0,0,0,0,0,2|2,0,0]=4 329 B21R3.13902945 C1=CSC(=N1)NCC2(CCOCC2)N3CCCCC3 m_27__5181522__8583932 [0,0,0,0,0,2|2,0,0]=4 330 B21R3.13902945 C1=NN=C(S1)NCC2(CCCCC2)N3CCCCC3 m_27__61840__6894080 [0,0,0,0,0,2|2,0,0]=4 331 B21R3.13902945 C1=NSC(=N1)NCC2(CCCCC2)N3CCCCC3 m_27__61840__7917852 [0,0,0,0,0,2|2,0,0]=4