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[0,0,1,0,0,0|2,0,0]=3 16 B5R0.2 CCCSCC m_62__875778__6469026 [0,0,1,0,0,0|1,1,0]=3 17 B5R0.2 CCNCCO m_270004__8349608__24715004 [0,0,1,0,0,0|1,0,0]=2 18 B5R0.2 CCSCC#N m_7__22987770__5055 [0,0,1,0,0,0|1,1,1]=4 19 B5R0.2 CCSCCF m_7__22987770__22320828 [0,0,1,0,0,0|1,1,0]=3 20 B5R0.2 CCSCCN m_7__20871276__5047 [0,0,1,0,0,0|1,1,0]=3 21 B5R0.2 CCSCCO m_7__22987770__102708 [0,0,1,0,0,0|0,1,0]=2 22 B5R0.2 CCSCOC m_7__22987770__6762 [0,0,1,0,0,0|2,0,0]=3 23 B5R0.2 CCSCSC m_7__22987770__10542644 [0,0,1,0,0,0|2,1,0]=4 24 B5R0.2 CNCCSC m_7__22986920__5046 [0,0,1,0,0,0|1,1,0]=3 25 B5R0.2 COCCSC m_62__524272__876088 [0,0,1,0,0,0|0,1,0]=2 26 B5R0.2 CSCCC#N m_7__10953802__5046 [0,0,1,0,0,0|2,1,0]=4 27 B5R0.2 CSCCCN m_7__20871288__5046 [0,0,1,0,0,0|2,1,0]=4 28 B5R0.2 CSCCCO m_7__10972294__5046 [0,0,1,0,0,0|2,0,0]=3 29 B5R0.2 CSCCSC m_62__875850__8268572 [0,0,1,0,0,0|0,2,0]=3 30 B4R0.2 CCCSC m_62__875778__876088 [1,0,1,0,0,0|0,1,0]=3 31 B4R0.2 CCNCC m_270004__8160850__24715004 [1,0,1,0,0,0|1,0,0]=3 32 B4R0.2 CCSCC m_62__875846__6469026 [1,0,1,0,0,0|0,1,0]=3 33 B4R0.2 CSCCN m_7__20871276__5046 [1,0,1,0,0,0|1,1,0]=4 34 B4R0.2 CSCCO m_62__875850__10178562 [1,0,1,0,0,0|0,1,0]=3 35 B6R0.1 CCC(C)CNC m_207__134027__7687310 [0,1,1,0,0,0|2,0,0]=4 36 B6R0.1 CCC(C)CSC m_62__10709932__876088 [0,1,1,0,0,0|1,1,0]=4 37 B6R0.1 CCC(F)CSC m_62__9787600__876088 [0,1,1,0,0,0|1,1,0]=4 38 B6R0.1 CCC(O)CSC m_7__22988104__5046 [0,1,1,0,0,0|1,1,0]=4 39 B6R0.1 CCCC(=O)OC m_276436__14076652__14088342 [0,1,1,0,0,0|1,0,1]=4 40 B6R0.1 CCCC(C)NC m_269862__7193148__7200560 [0,1,1,0,0,0|2,0,0]=4 41 B6R0.1 CCCC(C)SC m_62__875850__10638528 [0,1,1,0,0,0|1,1,0]=4 42 B6R0.1 CCCN(C)CC m_2230__2261920__22383854 [0,1,1,0,0,0|2,0,0]=4 43 B6R0.1 CCCN(C)OC m_2230__679026__13271112 [0,1,1,0,0,0|2,0,0]=4 44 B6R0.1 CCN(C)CCF m_2230__17607486__2463448 [0,1,1,0,0,0|2,0,0]=4 45 B6R0.1 CCN(C)CCN m_269982__10894792__7393392 [0,1,1,0,0,0|2,0,0]=4 46 B6R0.1 CCN(C)CCO m_2230__3225026__2463448 [0,1,1,0,0,0|1,0,0]=3 47 B6R0.1 CCNC(=O)CO m_22__57815__7941800 [0,1,1,0,0,0|1,0,1]=4 48 B6R0.1 CCNC(C)CC m_269862__7865270__7200134 [0,1,1,0,0,0|2,0,0]=4 49 B6R0.1 CCNC(C)CCl m_2230__22399894__22383854 [0,1,1,0,0,0|2,0,0]=4 50 B6R0.1 CCNC(C)CF m_270004__10214060__24715004 [0,1,1,0,0,0|2,0,0]=4 51 B6R0.1 CCNC(C)CO m_269862__7865270__15157990 [0,1,1,0,0,0|1,0,0]=3 52 B6R0.1 CCN[C@H](C)CF m_270004__13811084__24715004 [0,1,1,0,0,0|2,0,0]=4 53 B6R0.1 CCN[C@H](C)CN m_269982__22505378__7393392 [0,1,1,0,0,0|2,0,0]=4 54 B6R0.1 CCN[C@H](C)CO m_2230__22399532__22383854 [0,1,1,0,0,0|1,0,0]=3 55 B6R0.1 CCOC(=O)CC m_1458__473508__1327610 [0,1,1,0,0,0|1,0,1]=4 56 B6R0.1 CCS(=O)CCO m_265282__7088216__4273536 [0,1,1,0,0,0|0,1,0]=3 57 B6R0.1 CCSC(C)CC m_7__22987770__14247828 [0,1,1,0,0,0|1,1,0]=4 58 B6R0.1 CCSC(C)CO m_7__6338928__5047 [0,1,1,0,0,0|0,1,0]=3 59 B6R0.1 CCS[C@@H](C)CN m_7__20871330__5047 [0,1,1,0,0,0|1,1,0]=4 60 B6R0.1 CC[C@H](N)CSC m_7__20871354__5046 [0,1,1,0,0,0|1,1,0]=4 61 B6R0.1 CNC(=O)CCO m_487__150425__12879784 [0,1,1,0,0,0|2,0,0]=4 62 B6R0.1 CNC(=O)COC m_270062__7630660__15529360 [0,1,1,0,0,0|1,0,1]=4 63 B6R0.1 CNC(C)CCO m_2230__22400640__2463448 [0,1,1,0,0,0|2,0,0]=4 64 B6R0.1 CNC(C)CSC m_269862__7193148__16464016 [0,1,1,0,0,0|1,1,0]=4 65 B6R0.1 CNCC(C)NC m_269982__22505308__14064228 [0,1,1,0,0,0|2,0,0]=4 66 B6R0.1 CN[C@H](C)COC m_2230__22399844__2463448 [0,1,1,0,0,0|1,0,0]=3 67 B6R0.1 COC(=O)CSC m_7__29561__5046 [0,1,1,0,0,0|0,1,1]=4 68 B6R0.1 COC(C)CSC m_62__8635200__876088 [0,1,1,0,0,0|0,1,0]=3 69 B6R0.1 COCC(=O)OC m_1458__473580__483916 [0,1,1,0,0,0|0,0,1]=3 70 B6R0.1 COCC(C)SC m_62__6339274__876088 [0,1,1,0,0,0|0,1,0]=3 71 B6R0.1 CON(C)CCO m_2230__9111768__2463448 [0,1,1,0,0,0|2,0,0]=4 72 B6R0.1 CSC(C)CCO m_7__5819074__5046 [0,1,1,0,0,0|2,0,0]=4 73 B6R0.1 CSCC(C)CO m_7__6078536__5046 [0,1,1,0,0,0|2,0,0]=4 74 B6R0.1 CSCC(O)CO m_7__6554250__5046 [0,1,1,0,0,0|2,0,0]=4 75 B6R0.4 C=C(C)CCSC m_62__10158742__876088 [0,1,1,0,0,0|1,1,0]=4 76 B6R0.4 CC(=O)NCCO m_270062__7594790__15585492 [0,1,1,0,0,0|1,0,1]=4 77 B6R0.4 CC(=O)OCCF m_276436__14078274__14088324 [0,1,1,0,0,0|1,0,1]=4 78 B6R0.4 CC(=O)OCCO m_1458__473186__485506 [0,1,1,0,0,0|0,0,1]=3 79 B6R0.4 CC(C)NCCF m_269862__9706110__7204804 [0,1,1,0,0,0|2,0,0]=4 80 B6R0.4 CC(C)NCCO m_269862__7193048__7204804 [0,1,1,0,0,0|1,0,0]=3 81 B6R0.4 CC(C)SCCN m_7__20871276__5048 [0,1,1,0,0,0|1,1,0]=4 82 B6R0.4 CC(C)SCCO m_62__2390328__10178562 [0,1,1,0,0,0|0,1,0]=3 83 B6R0.4 CCCCN(C)C m_2230__665312__2463448 [0,1,1,0,0,0|2,0,0]=4 84 B6R0.4 CCCCS(=O)C m_265282__10638440__4273530 [0,1,1,0,0,0|1,1,0]=4 85 B6R0.4 CCCOC(=O)C m_276436__14076550__14088324 [0,1,1,0,0,0|1,0,1]=4 86 B6R0.4 CCCSC(C)C m_62__2390328__875868 [0,1,1,0,0,0|1,1,0]=4 87 B6R0.4 CCNCC(C)C m_207__121480__121216 [0,1,1,0,0,0|2,0,0]=4 88 B6R0.4 CCNCC(C)F m_270004__13461138__24715004 [0,1,1,0,0,0|2,0,0]=4 89 B6R0.4 CCNCC(C)O m_270004__8288774__24715004 [0,1,1,0,0,0|1,0,0]=3 90 B6R0.4 CCNCC(F)Br m_270004__23851146__24715004 [0,1,1,0,0,0|2,0,0]=4 91 B6R0.4 CCNCC(F)Cl m_270004__21631482__24715004 [0,1,1,0,0,0|2,0,0]=4 92 B6R0.4 CCNCC(F)F m_270004__10150310__24715004 [0,1,1,0,0,0|2,0,0]=4 93 B6R0.4 CCOCC(=O)N m_22__58357__59118 [0,1,1,0,0,0|0,0,2]=4 94 B6R0.4 CCSCC(=O)O m_7__26823__5047 [0,1,1,0,0,0|0,1,1]=4 95 B6R0.4 CCSCC(C)C m_62__1010136__6469026 [0,1,1,0,0,0|1,1,0]=4 96 B6R0.4 CCSCC(C)F m_62__875846__16913488 [0,1,1,0,0,0|1,1,0]=4 97 B6R0.4 CCSCC(C)O m_7__10953796__5047 [0,1,1,0,0,0|0,1,0]=3 98 B6R0.4 CCSCC(F)F m_7__22987770__16886816 [0,1,1,0,0,0|1,1,0]=4 99 B6R0.4 CCSC[C@H](C)N m_7__20871336__5047 [0,1,1,0,0,0|1,1,0]=4 100 B6R0.4 CN(C)CCCO m_2230__9787816__2463448 [0,1,1,0,0,0|2,0,0]=4 101 B6R0.4 CNCCC(C)C m_207__134027__134014 [0,1,1,0,0,0|2,0,0]=4 102 B6R0.4 CNCCN(C)C m_269982__10880304__14064228 [0,1,1,0,0,0|2,0,0]=4 103 B6R0.4 COCCC(=O)N m_22__58357__2909590 [0,1,1,0,0,0|2,0,0]=4 104 B6R0.4 COCCN(C)C m_2230__2013888__2463448 [0,1,1,0,0,0|1,0,0]=3 105 B6R0.4 COCOC(=O)C m_1458__473186__484704 [0,1,1,0,0,0|2,0,0]=4 106 B6R0.4 CS(=O)CCCO m_265282__10972298__4273530 [0,1,1,0,0,0|2,0,0]=4 107 B6R0.4 CSCCC(C)C m_62__7021584__876088 [0,1,1,0,0,0|1,1,0]=4 108 B6R0.4 CSCCC(C)F m_62__13165346__876088 [0,1,1,0,0,0|1,1,0]=4 109 B6R0.4 CSCCC(C)N m_34__20871470__7119628 [0,1,1,0,0,0|1,1,0]=4 110 B6R0.4 CSCCC(C)O m_62__12057938__876088 [0,1,1,0,0,0|1,1,0]=4 111 B6R0.4 CSCCN(C)C m_7__6950568__5046 [0,1,1,0,0,0|1,1,0]=4 112 B6R0.6 C#CCCSCC m_62__875846__18060662 [0,1,1,0,0,0|1,1,0]=4 113 B6R0.6 C#CCSCCO m_7__128807__6266 [0,1,1,0,0,0|0,1,1]=4 114 B6R0.6 C/C=C/CCSC m_62__23858414__876088 [0,1,1,0,0,0|1,1,0]=4 115 B6R0.6 C=CCCNCC m_270004__11969962__24715004 [0,1,1,0,0,0|2,0,0]=4 116 B6R0.6 C=CCCSCC m_62__875846__9875548 [0,1,1,0,0,0|1,1,0]=4 117 B6R0.6 C=CCSCCO m_7__22987946__102708 [0,1,1,0,0,0|0,1,1]=4 118 B6R0.6 C=CCSCOC m_7__22987946__6762 [0,1,1,0,0,0|1,0,1]=4 119 B6R0.6 CCC=NOCC m_34__17309904__7791662 [0,1,1,0,0,0|1,0,1]=4 120 B6R0.6 CCCC=NOC m_4__461206__7831606 [0,1,1,0,0,0|1,0,1]=4 121 B6R0.6 CCCCC=NO m_4__388124__7831600 [0,1,1,0,0,0|1,0,1]=4 122 B6R0.6 CCCCCSC m_62__5063390__876088 [0,1,1,0,0,0|1,1,0]=4 123 B6R0.6 CCCCNCC m_270004__8289202__24715004 [0,1,1,0,0,0|2,0,0]=4 124 B6R0.6 CCCCSCC m_7__22987770__770176 [0,1,1,0,0,0|1,1,0]=4 125 B6R0.6 CCCSCCC m_62__875778__875868 [0,1,1,0,0,0|1,1,0]=4 126 B6R0.6 CCCSCCF m_7__22986886__22320828 [0,1,1,0,0,0|1,1,0]=4 127 B6R0.6 CCCSCCN m_7__20871276__14390332 [0,1,1,0,0,0|1,1,0]=4 128 B6R0.6 CCCSCCO m_7__22986886__102708 [0,1,1,0,0,0|0,1,0]=3 129 B6R0.6 CCCSCOC m_7__22986886__6762 [0,1,1,0,0,0|1,0,0]=3 130 B6R0.6 CCCSCSC m_7__22986886__10542644 [0,1,1,0,0,0|1,1,0]=4 131 B6R0.6 CCNCCC#N m_270004__23839874__24715004 [0,1,1,0,0,0|2,0,0]=4 132 B6R0.6 CCNCCCF m_270004__17065596__24715004 [0,1,1,0,0,0|2,0,0]=4 133 B6R0.6 CCNCCCO m_270004__8288584__24715004 [0,1,1,0,0,0|1,0,0]=3 134 B6R0.6 CCNCCOC m_270004__8288600__24715004 [0,1,1,0,0,0|1,0,0]=3 135 B6R0.6 CCNCCSC m_7__22986872__5046 [0,1,1,0,0,0|1,1,0]=4 136 B6R0.6 CCOCCSC m_62__204255__876088 [0,1,1,0,0,0|0,1,0]=3 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[0,1,1,0,0,0|1,0,0]=3 153 B6R0.6 CSCCCON m_7__22987730__5046 [0,1,1,0,0,0|1,1,0]=4 154 B6R0.6 CSCCCSC m_7__10890048__5046 [0,1,1,0,0,0|0,2,0]=4 155 B6R0.6 CSCSCCO m_7__128807__10542644 [0,1,1,0,0,0|0,1,0]=3 156 B6R0.6 N#CCSCCO m_7__128807__5055 [0,1,1,0,0,0|0,1,1]=4 157 B6R0.6 NCCSCCF m_7__20871276__22320828 [0,1,1,0,0,0|1,1,0]=4 158 B6R0.6 NCCSCCO m_7__20871276__6166114 [0,1,1,0,0,0|0,1,0]=3 159 B6R0.6 OCCSCCF m_7__128807__22320828 [0,1,1,0,0,0|0,1,0]=3 160 B6R0.6 OCCSCCO m_7__128807__102708 [0,1,1,0,0,0|0,1,0]=3 161 B6R1.2 CN1CCCC1 m_2230__678722__2463448 [0,1,0,0,1,0|1,0,0]=3 162 B8R1.22 CN1CCC=CCC1 m_2230__22406010__2463448 [0,1,0,0,0,1|2,0,0]=4 163 B8R1.22 CN1CCCCCC1 m_2230__678972__2463448 [0,1,0,0,0,1|2,0,0]=4 164 B8R1.22 CN1CCCNCC1 m_269982__7368760__14064228 [0,1,0,0,0,1|2,0,0]=4 165 B8R1.22 CN1CCCOCC1 m_2230__6727026__2463448 [0,1,0,0,0,1|1,0,0]=3 166 B8R1.22 CN1CCCSCC1 m_2230__7912842__2463448 [0,1,0,0,0,1|1,1,0]=4 167 B8R1.22 CN1CCNNCC1 m_269982__13907122__14064228 [0,1,0,0,0,1|2,0,0]=4 168 B8R1.2 CCC1CNCCN1 m_269982__23917336__14064228 [0,2,0,0,0,0|2,0,0]=4 169 B8R1.2 CCN1CCCCC1 m_2230__679042__22383854 [0,2,0,0,0,0|2,0,0]=4 170 B8R1.2 CCN1CCNCC1 m_269982__7368754__7393392 [0,2,0,0,0,0|2,0,0]=4 171 B8R1.2 CCN1CCOCC1 m_2230__665308__22383854 [0,2,0,0,0,0|1,0,0]=3 172 B8R1.2 CCN1CCSCC1 m_2230__848268__22383854 [0,2,0,0,0,0|1,1,0]=4 173 B8R1.2 CNC1CCCCC1 m_269862__7193148__7200184 [0,2,0,0,0,0|2,0,0]=4 174 B8R1.2 CNC1CCCSC1 m_269862__7193148__8157488 [0,2,0,0,0,0|1,1,0]=4 175 B8R1.2 CNC1CCOCC1 m_269862__7193148__7200780 [0,2,0,0,0,0|1,0,0]=3 176 B8R1.2 CNC1CCSCC1 m_269862__7193148__7200570 [0,2,0,0,0,0|1,1,0]=4 177 B8R1.2 CSC1CCCCC1 m_7__27197__5046 [0,2,0,0,0,0|2,0,0]=4 178 B8R1.2 CSC1CCCNC1 m_7__22871154__5046 [0,2,0,0,0,0|2,0,0]=4 179 B8R1.2 CSC1CCCOC1 m_7__8601826__5046 [0,2,0,0,0,0|1,0,0]=3 180 B8R1.2 CSC1CCNCC1 m_7__22986816__5046 [0,2,0,0,0,0|2,0,0]=4 181 B8R1.2 CSC1CCOCC1 m_7__7834816__5046 [0,2,0,0,0,0|1,0,0]=3 182 B8R1.2 CSC1CCSCC1 m_7__15266834__5046 [0,2,0,0,0,0|1,1,0]=4 183 B8R1.2 ON=C1CCCCC1 m_4__388124__66784 [0,2,0,0,0,0|2,0,0]=4 184 B8R1.2 ON=C1CCCOC1 m_4__388124__4990814 [0,2,0,0,0,0|1,0,1]=4 185 B8R1.2 ON=C1CCOCC1 m_4__388124__1010022 [0,2,0,0,0,0|1,0,0]=3 186 B8R1.2 ON=C1CCSCC1 m_4__388124__67633 [0,2,0,0,0,0|1,1,0]=4 187 B8R1.3 C=C1CCN(CC1)C m_2230__4275386__2463448 [0,2,0,0,0,0|2,0,0]=4 188 B8R1.3 CC1CCN(CC1)C m_2230__678746__2463448 [0,2,0,0,0,0|2,0,0]=4 189 B8R1.3 CN1CCC(CC1)F m_2230__12896702__2463448 [0,2,0,0,0,0|2,0,0]=4 190 B8R1.3 CN1CCC(CC1)N m_269982__7368762__14064228 [0,2,0,0,0,0|2,0,0]=4 191 B8R1.3 CN1CCC(CC1)O m_2230__679016__2463448 [0,2,0,0,0,0|2,0,0]=4 192 B8R1.3 CN1CCN(CC1)C m_2230__678974__2463448 [0,2,0,0,0,0|2,0,0]=4 193 B8R1.3 CN1CCS(=O)CC1 m_2230__4595056__2463448 [0,2,0,0,0,0|1,1,0]=4 194 B8R1.4 CC1CCCN(C1)C m_2230__678730__2463448 [0,2,0,0,0,0|2,0,0]=4 195 B8R1.4 CC1CN(CCS1)C m_2230__19177976__2463448 [0,2,0,0,0,0|1,1,0]=4 196 B8R1.4 CN1CCCC(C1)F m_2230__13466020__2463448 [0,2,0,0,0,0|2,0,0]=4 197 B8R1.4 CN1CCCC(C1)O m_2230__678744__2463448 [0,2,0,0,0,0|2,0,0]=4 198 B8R1.4 CN1CCC[C@@H](C1)N m_269982__13151830__14064228 [0,2,0,0,0,0|2,0,0]=4 199 B8R1.4 C[C@@H]1CN(CCN1)C m_269982__10880298__14064228 [0,2,0,0,0,0|2,0,0]=4 200 B8R1.4 C[C@H]1CN(CCO1)C m_2230__17693332__2463448 [0,2,0,0,0,0|1,0,0]=3 201 B8R1.5 CC1CCCCN1C m_2230__678754__2463448 [0,2,0,0,0,0|2,0,0]=4 202 B8R1.5 CC1CNCCN1C m_269982__7368790__14064228 [0,2,0,0,0,0|2,0,0]=4 203 B8R1.5 CC1COCCN1C m_2230__679548__2463448 [0,2,0,0,0,0|1,0,0]=3 204 B8R1.5 CC1CSCCN1C m_2230__5359444__2463448 [0,2,0,0,0,0|1,1,0]=4 205 B8R1.5 C[C@@H]1CCCCN1C m_2230__22409340__2463448 [0,2,0,0,0,0|2,0,0]=4 206 B8R1.5 C[C@H]1COCCN1C m_2230__10745968__2463448 [0,2,0,0,0,0|1,0,0]=3 207 B6R1.3 CCSC1CC1 m_7__22987770__16761930 [0,0,1,1,0,0|1,1,0]=4 208 B6R1.3 CNCC1CC1 m_207__134027__2989440 [0,0,1,1,0,0|2,0,0]=4 209 B6R1.3 CSCC1CC1 m_62__7141820__876088 [0,0,1,1,0,0|1,1,0]=4 210 B6R1.6 CNC1COC1 m_269862__7193148__7931470 [0,0,1,1,0,0|1,0,0]=3 211 B6R1.6 CSC1CCC1 m_7__10684076__5046 [0,0,1,1,0,0|1,1,0]=4 212 B6R1.6 CSC1CNC1 m_7__22987816__5046 [0,0,1,1,0,0|1,1,0]=4 213 B6R1.6 CSC1COC1 m_7__13420946__5046 [0,0,1,1,0,0|0,1,0]=3 214 B6R1.6 CSC1CSC1 m_7__20064714__5046 [0,0,1,1,0,0|0,2,0]=4 215 B8R2.18 CN1CC2CC2C1 m_2230__13022236__2463448 [0,1,0,1,0,0|2,0,0]=4 216 B8R2.38 CN1CCC2C1C2 m_2230__7912980__2463448 [0,1,0,1,0,0|2,0,0]=4