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m_2230__22400136__2463448 [0,1,0,0,0,0|2,0,1]=4 33 B6R0.1 C=C(CC)CSC m_62__8265146__876088 [0,1,0,0,0,0|1,0,1]=3 34 B6R0.1 C=CC(C)CSC m_62__23815404__876088 [0,1,0,0,0,0|1,0,1]=3 35 B6R0.1 C=CCC(C)NC m_2230__22399836__2463448 [0,1,0,0,0,0|2,0,1]=4 36 B6R0.1 CC#CC(C)SC m_62__875850__22381654 [0,1,0,0,0,0|1,0,2]=4 37 B6R0.1 CCC(C)CNC m_207__134027__7687310 [0,1,0,0,0,0|2,0,0]=3 38 B6R0.1 CCC(C)CSC m_62__10709932__876088 [0,1,0,0,0,0|1,0,0]=2 39 B6R0.1 CCC(F)CSC m_62__9787600__876088 [0,1,0,0,0,0|1,0,0]=2 40 B6R0.1 CCC(O)CSC m_7__22988104__5046 [0,1,0,0,0,0|1,0,0]=2 41 B6R0.1 CCCC(=O)NC m_270062__7630660__17814498 [0,1,0,0,0,0|2,0,1]=4 42 B6R0.1 CCCC(=O)NN m_240690__7868478__7404578 [0,1,0,0,0,0|2,0,1]=4 43 B6R0.1 CCCC(=O)OC m_276436__14076652__14088342 [0,1,0,0,0,0|1,1,1]=4 44 B6R0.1 CCCC(C)NC m_269862__7193148__7200560 [0,1,0,0,0,0|2,0,0]=3 45 B6R0.1 CCCC(C)SC m_62__875850__10638528 [0,1,0,0,0,0|1,0,0]=2 46 B6R0.1 CCCN(C)CC m_2230__2261920__22383854 [0,1,0,0,0,0|3,0,0]=4 47 B6R0.1 CCCN(C)OC m_2230__679026__13271112 [0,1,0,0,0,0|2,1,0]=4 48 B6R0.1 CCN(C)CCF m_2230__17607486__2463448 [0,1,0,0,0,0|3,0,0]=4 49 B6R0.1 CCN(C)CCN m_269982__10894792__7393392 [0,1,0,0,0,0|2,0,0]=3 50 B6R0.1 CCN(C)CCO m_2230__3225026__2463448 [0,1,0,0,0,0|3,0,0]=4 51 B6R0.1 CCNC(=O)CN m_270006__8379230__10128098 [0,1,0,0,0,0|2,0,1]=4 52 B6R0.1 CCNC(C)CC m_269862__7865270__7200134 [0,1,0,0,0,0|3,0,0]=4 53 B6R0.1 CCNC(C)CCl m_2230__22399894__22383854 [0,1,0,0,0,0|3,0,0]=4 54 B6R0.1 CCNC(C)CF m_270004__10214060__24715004 [0,1,0,0,0,0|3,0,0]=4 55 B6R0.1 CCNC(C)CO m_269862__7865270__15157990 [0,1,0,0,0,0|3,0,0]=4 56 B6R0.1 CCN[C@H](C)CF m_270004__13811084__24715004 [0,1,0,0,0,0|3,0,0]=4 57 B6R0.1 CCN[C@H](C)CN m_269982__22505378__7393392 [0,1,0,0,0,0|2,0,0]=3 58 B6R0.1 CCN[C@H](C)CO m_2230__22399532__22383854 [0,1,0,0,0,0|3,0,0]=4 59 B6R0.1 CCS(=O)CCO m_265282__7088216__4273536 [0,1,0,0,0,0|3,0,0]=4 60 B6R0.1 CCSC(C)CC m_7__22987770__14247828 [0,1,0,0,0,0|3,0,0]=4 61 B6R0.1 CCSC(C)CO m_7__6338928__5047 [0,1,0,0,0,0|3,0,0]=4 62 B6R0.1 CCS[C@@H](C)CN m_7__20871330__5047 [0,1,0,0,0,0|2,0,0]=3 63 B6R0.1 CC[C@H](N)CSC m_7__20871354__5046 [0,1,0,0,0,0|1,0,0]=2 64 B6R0.1 CNC(=O)CCBr m_270062__7630660__20844442 [0,1,0,0,0,0|2,0,1]=4 65 B6R0.1 CNC(=O)CCN m_270006__8382028__10478302 [0,1,0,0,0,0|1,0,1]=3 66 B6R0.1 CNC(=O)CCO m_487__150425__12879784 [0,1,0,0,0,0|2,0,1]=4 67 B6R0.1 CNC(=O)CON m_240690__7355834__13151248 [0,1,0,0,0,0|2,0,1]=4 68 B6R0.1 CNC(=O)CSC m_62__875850__81300 [0,1,0,0,0,0|2,0,1]=4 69 B6R0.1 CNC(C)CC#N m_2230__11757170__2463448 [0,1,0,0,0,0|1,0,2]=4 70 B6R0.1 CNC(C)CCN m_269982__22505446__14064228 [0,1,0,0,0,0|1,0,0]=2 71 B6R0.1 CNC(C)CCO m_2230__22400640__2463448 [0,1,0,0,0,0|2,0,0]=3 72 B6R0.1 CNC(C)CSC m_269862__7193148__16464016 [0,1,0,0,0,0|2,0,0]=3 73 B6R0.1 CNCC(=O)NN m_240690__7868478__7368582 [0,1,0,0,0,0|2,0,1]=4 74 B6R0.1 CNCC(C)NC m_269982__22505308__14064228 [0,1,0,0,0,0|3,0,0]=4 75 B6R0.1 CNNC(=O)CN m_240690__21584010__3025698 [0,1,0,0,0,0|2,0,1]=4 76 B6R0.1 CN[C@H](C)CCF m_2230__22404666__2463448 [0,1,0,0,0,0|2,0,0]=3 77 B6R0.1 CN[C@H](C)COC m_2230__22399844__2463448 [0,1,0,0,0,0|2,1,0]=4 78 B6R0.1 COC(=O)CCF m_276436__14076652__14107760 [0,1,0,0,0,0|1,1,1]=4 79 B6R0.1 COC(=O)CSC m_7__29561__5046 [0,1,0,0,0,0|2,0,1]=4 80 B6R0.1 COC(C)CSC m_62__8635200__876088 [0,1,0,0,0,0|2,0,0]=3 81 B6R0.1 COCC(=O)NN m_240690__7868478__7404894 [0,1,0,0,0,0|1,1,1]=4 82 B6R0.1 COCC(C)SC m_62__6339274__876088 [0,1,0,0,0,0|2,0,0]=3 83 B6R0.1 CON(C)CCF m_2230__679026__22320836 [0,1,0,0,0,0|2,1,0]=4 84 B6R0.1 CON(C)CCO m_2230__9111768__2463448 [0,1,0,0,0,0|2,1,0]=4 85 B6R0.1 CONC(=O)CN m_240690__7368532__3025698 [0,1,0,0,0,0|1,1,1]=4 86 B6R0.1 CSC(C)CCO m_7__5819074__5046 [0,1,0,0,0,0|1,0,0]=2 87 B6R0.1 CSCC(=CCl)C m_7__9703826__5046 [0,1,0,0,0,0|1,0,2]=4 88 B6R0.1 CSCC(=NO)C m_4__388124__15781872 [0,1,0,0,0,0|2,0,1]=4 89 B6R0.1 CSCC(=O)NN m_240690__7868478__7407272 [0,1,0,0,0,0|1,0,1]=3 90 B6R0.1 CSCC(=O)NO m_527__388132__237535 [0,1,0,0,0,0|2,0,1]=4 91 B6R0.1 CSCC(C)CO m_7__6078536__5046 [0,1,0,0,0,0|1,0,0]=2 92 B6R0.1 CSCC(O)CO m_7__6554250__5046 [0,1,0,0,0,0|1,0,0]=2 93 B6R0.1 NCCC(=O)NN m_240690__7868478__3025680 [0,1,0,0,0,0|2,0,1]=4 94 B6R0.4 C#CCCC(=O)N m_22__58357__9276178 [0,1,0,0,0,0|1,0,2]=4 95 B6R0.4 C#CCCN(C)C m_2230__15161984__2463448 [0,1,0,0,0,0|2,0,1]=4 96 B6R0.4 C=C(Br)CCSC m_62__15782476__876088 [0,1,0,0,0,0|1,0,1]=3 97 B6R0.4 C=C(C)CCSC m_62__10158742__876088 [0,1,0,0,0,0|1,0,1]=3 98 B6R0.4 C=C(C)CSCC m_62__6464432__6469026 [0,1,0,0,0,0|3,0,0]=4 99 B6R0.4 C=CCCC(=O)N m_22__58357__2757558 [0,1,0,0,0,0|1,0,2]=4 100 B6R0.4 CC(=O)NCCF m_270062__12127092__15585492 [0,1,0,0,0,0|3,0,0]=4 101 B6R0.4 CC(=O)NCCN m_270006__11615266__8404996 [0,1,0,0,0,0|2,0,0]=3 102 B6R0.4 CC(=O)NCCO m_270062__7594790__15585492 [0,1,0,0,0,0|3,0,0]=4 103 B6R0.4 CC(=O)OCCF m_276436__14078274__14088324 [0,1,0,0,0,0|3,0,0]=4 104 B6R0.4 CC(=O)OCCO m_1458__473186__485506 [0,1,0,0,0,0|3,0,0]=4 105 B6R0.4 CC(C)NCCF m_269862__9706110__7204804 [0,1,0,0,0,0|3,0,0]=4 106 B6R0.4 CC(C)NCCO m_269862__7193048__7204804 [0,1,0,0,0,0|3,0,0]=4 107 B6R0.4 CC(C)SCCN m_7__20871276__5048 [0,1,0,0,0,0|2,0,0]=3 108 B6R0.4 CC(C)SCCO m_62__2390328__10178562 [0,1,0,0,0,0|3,0,0]=4 109 B6R0.4 CC=CCC(=O)N m_22__58357__21288486 [0,1,0,0,0,0|1,0,2]=4 110 B6R0.4 CCCCC(=O)N m_22__58357__303718 [0,1,0,0,0,0|1,0,1]=3 111 B6R0.4 CCCCN(C)C m_2230__665312__2463448 [0,1,0,0,0,0|2,0,0]=3 112 B6R0.4 CCCCS(=O)C m_265282__10638440__4273530 [0,1,0,0,0,0|1,0,1]=3 113 B6R0.4 CCCNC(=N)N m_58668__2550924__2227896 [0,1,0,0,0,0|2,0,1]=4 114 B6R0.4 CCCNC(=O)C m_270062__7595096__15585492 [0,1,0,0,0,0|3,0,0]=4 115 B6R0.4 CCCNC(=O)N m_2554__826792__788524 [0,1,0,0,0,0|2,0,1]=4 116 B6R0.4 CCCOC(=O)C m_276436__14076550__14088324 [0,1,0,0,0,0|3,0,0]=4 117 B6R0.4 CCCOC(=O)N m_282070__22187654__22151414 [0,1,0,0,0,0|2,0,1]=4 118 B6R0.4 CCCSC(C)C m_62__2390328__875868 [0,1,0,0,0,0|3,0,0]=4 119 B6R0.4 CCNCC(=O)N m_240690__7368526__7368632 [0,1,0,0,0,0|2,0,1]=4 120 B6R0.4 CCNCC(C)C m_207__121480__121216 [0,1,0,0,0,0|3,0,0]=4 121 B6R0.4 CCNCC(C)F m_270004__13461138__24715004 [0,1,0,0,0,0|3,0,0]=4 122 B6R0.4 CCNCC(C)O m_270004__8288774__24715004 [0,1,0,0,0,0|3,0,0]=4 123 B6R0.4 CCNCC(F)Br m_270004__23851146__24715004 [0,1,0,0,0,0|3,0,0]=4 124 B6R0.4 CCNCC(F)Cl m_270004__21631482__24715004 [0,1,0,0,0,0|3,0,0]=4 125 B6R0.4 CCNCC(F)F m_270004__10150310__24715004 [0,1,0,0,0,0|3,0,0]=4 126 B6R0.4 CCOCC(=O)N m_22__58357__59118 [0,1,0,0,0,0|2,0,1]=4 127 B6R0.4 CCSCC(=O)C m_7__22987770__5065 [0,1,0,0,0,0|3,0,0]=4 128 B6R0.4 CCSCC(=O)N m_7__10975714__5047 [0,1,0,0,0,0|2,0,1]=4 129 B6R0.4 CCSCC(C)C m_62__1010136__6469026 [0,1,0,0,0,0|3,0,0]=4 130 B6R0.4 CCSCC(C)F m_62__875846__16913488 [0,1,0,0,0,0|3,0,0]=4 131 B6R0.4 CCSCC(C)O m_7__10953796__5047 [0,1,0,0,0,0|3,0,0]=4 132 B6R0.4 CCSCC(F)F m_7__22987770__16886816 [0,1,0,0,0,0|3,0,0]=4 133 B6R0.4 CCSC[C@H](C)N m_7__20871336__5047 [0,1,0,0,0,0|2,0,0]=3 134 B6R0.4 CN(C)CCC#N m_2230__6737726__2463448 [0,1,0,0,0,0|1,0,2]=4 135 B6R0.4 CN(C)CCCF m_2230__13040470__2463448 [0,1,0,0,0,0|2,0,0]=3 136 B6R0.4 CN(C)CCCN m_269982__11965286__14064228 [0,1,0,0,0,0|1,0,0]=2 137 B6R0.4 CN(C)CCCO m_2230__9787816__2463448 [0,1,0,0,0,0|2,0,0]=3 138 B6R0.4 CNCCC(=O)N m_270006__8381712__11616072 [0,1,0,0,0,0|1,0,1]=3 139 B6R0.4 CNCCC(C)C m_207__134027__134014 [0,1,0,0,0,0|2,0,0]=3 140 B6R0.4 CNCCN(C)C m_269982__10880304__14064228 [0,1,0,0,0,0|3,0,0]=4 141 B6R0.4 COCCC(=O)N m_22__58357__2909590 [0,1,0,0,0,0|0,1,1]=3 142 B6R0.4 COCCN(C)C m_2230__2013888__2463448 [0,1,0,0,0,0|2,1,0]=4 143 B6R0.4 CS(=O)CCCF m_265282__17315398__4273530 [0,1,0,0,0,0|1,0,1]=3 144 B6R0.4 CS(=O)CCCO m_265282__10972298__4273530 [0,1,0,0,0,0|1,0,1]=3 145 B6R0.4 CSC=CC(=O)N m_22__58357__6739948 [0,1,0,0,0,0|0,0,3]=4 146 B6R0.4 CSCC=C(C)C m_62__12201838__876088 [0,1,0,0,0,0|1,0,2]=4 147 B6R0.4 CSCC=C(Cl)Cl m_62__875850__11985918 [0,1,0,0,0,0|1,0,2]=4 148 B6R0.4 CSCCC(=O)N m_62__875850__593690 [0,1,0,0,0,0|0,0,1]=2 149 B6R0.4 CSCCC(C)C m_62__7021584__876088 [0,1,0,0,0,0|1,0,0]=2 150 B6R0.4 CSCCC(C)F m_62__13165346__876088 [0,1,0,0,0,0|1,0,0]=2 151 B6R0.4 CSCCC(C)N m_34__20871470__7119628 [0,1,0,0,0,0|0,0,0]=1 152 B6R0.4 CSCCC(C)O m_62__12057938__876088 [0,1,0,0,0,0|1,0,0]=2 153 B6R0.4 CSCCC(F)F m_7__22986868__5046 [0,1,0,0,0,0|1,0,0]=2 154 B6R0.4 CSCCN(C)C m_7__6950568__5046 [0,1,0,0,0,0|2,0,0]=3 155 B6R0.4 NC(=O)CCCF m_22__58357__12105272 [0,1,0,0,0,0|2,0,1]=4 156 B6R0.4 NC(=O)CCNO m_240690__7368526__21394576 [0,1,0,0,0,0|2,0,1]=4 157 B6R0.4 NCCCC(=O)N m_240690__7368526__3025682 [0,1,0,0,0,0|2,0,0]=3 158 B6R0.4 NCCNC(=O)N m_273454__11052604__11052394 [0,1,0,0,0,0|3,0,0]=4 159 B6R0.6 C#CCCCSC m_62__875850__17850946 [0,1,0,0,0,0|1,0,0]=2 160 B6R0.6 C#CCCSCC m_62__875846__18060662 [0,1,0,0,0,0|1,0,1]=3 161 B6R0.6 C#CCSCCC m_7__22986886__6266 [0,1,0,0,0,0|2,0,1]=4 162 B6R0.6 C#CCSCCN m_7__20871276__6266 [0,1,0,0,0,0|1,0,1]=3 163 B6R0.6 C#CCSCCO m_7__128807__6266 [0,1,0,0,0,0|2,0,1]=4 164 B6R0.6 C/C=C/CCSC m_62__23858414__876088 [0,1,0,0,0,0|1,0,1]=3 165 B6R0.6 C=C=CCSCC m_7__22987770__22839656 [0,1,0,0,0,0|1,0,2]=4 166 B6R0.6 C=CCCCSC m_62__875850__16929012 [0,1,0,0,0,0|1,0,0]=2 167 B6R0.6 C=CCCNCC m_270004__11969962__24715004 [0,1,0,0,0,0|2,0,1]=4 168 B6R0.6 C=CCCSCC m_62__875846__9875548 [0,1,0,0,0,0|1,0,1]=3 169 B6R0.6 C=CCSCCC m_62__875778__8363982 [0,1,0,0,0,0|2,0,1]=4 170 B6R0.6 C=CCSCCF m_7__22987946__22320828 [0,1,0,0,0,0|2,0,1]=4 171 B6R0.6 C=CCSCCN m_7__20871276__3427024 [0,1,0,0,0,0|1,0,1]=3 172 B6R0.6 C=CCSCCO m_7__22987946__102708 [0,1,0,0,0,0|2,0,1]=4 173 B6R0.6 C=CCSCOC m_7__22987946__6762 [0,1,0,0,0,0|1,1,1]=4 174 B6R0.6 C=CCSCSC m_7__22987946__10542644 [0,1,0,0,0,0|1,0,1]=3 175 B6R0.6 CC#CCSCC m_62__875846__8844818 [0,1,0,0,0,0|1,0,2]=4 176 B6R0.6 CC=CCSCC m_62__4275932__6469026 [0,1,0,0,0,0|1,0,2]=4 177 B6R0.6 CCC#CCSC m_7__20984246__5046 [0,1,0,0,0,0|1,0,1]=3 178 B6R0.6 CCCC=NOC m_4__461206__7831606 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[0,1,0,0,0,0|1,1,0]=3 194 B6R0.6 CCNCCSC m_7__22986872__5046 [0,1,0,0,0,0|1,0,0]=2 195 B6R0.6 CCOCCSC m_62__204255__876088 [0,1,0,0,0,0|1,0,0]=2 196 B6R0.6 CCOCSCC m_7__22987770__10176980 [0,1,0,0,0,0|2,0,0]=3 197 B6R0.6 CCSC/C=C\Br m_7__22544354__5047 [0,1,0,0,0,0|1,0,2]=4 198 B6R0.6 CCSCC=CCl m_7__22987770__5103 [0,1,0,0,0,0|1,0,2]=4 199 B6R0.6 CCSCC=NO m_4__388124__10542484 [0,1,0,0,0,0|2,0,1]=4 200 B6R0.6 CCSCCC#N m_7__10953802__5047 [0,1,0,0,0,0|0,0,2]=3 201 B6R0.6 CCSCCCF m_7__22987770__16896928 [0,1,0,0,0,0|1,0,0]=2 202 B6R0.6 CCSCCCN m_7__20871288__5047 [0,1,0,0,0,0|0,0,0]=1 203 B6R0.6 CCSCCCO m_7__22987770__6354 [0,1,0,0,0,0|1,0,0]=2 204 B6R0.6 CCSCCNC m_7__22986920__5047 [0,1,0,0,0,0|2,0,0]=3 205 B6R0.6 CCSCCOC m_62__875846__8623480 [0,1,0,0,0,0|1,1,0]=3 206 B6R0.6 CCSCCSC m_7__8765656__5046 [0,1,0,0,0,0|1,0,0]=2 207 B6R0.6 CCSCSCC m_7__22987770__9456150 [0,1,0,0,0,0|2,0,0]=3 208 B6R0.6 COCCCSC m_62__9108898__876088 [0,1,0,0,0,0|1,0,0]=2 209 B6R0.6 COCSCCO m_7__128807__6762 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m_2230__678722__2463448 [0,0,0,1,0,0|2,0,0]=3 226 B6R1.2 NC1=NCCN1 m_58668__6894578__2679600 [0,0,0,1,0,0|3,0,0]=4 227 B6R1.3 CCSC1CC1 m_7__22987770__16761930 [0,0,0,1,0,0|3,0,0]=4 228 B6R1.3 CNCC1CC1 m_207__134027__2989440 [0,0,0,1,0,0|2,0,0]=3 229 B6R1.3 CSCC1CC1 m_62__7141820__876088 [0,0,0,1,0,0|1,0,0]=2 230 B6R1.6 CNC1COC1 m_269862__7193148__7931470 [0,0,0,1,0,0|2,1,0]=4 231 B6R1.6 CSC1CCC1 m_7__10684076__5046 [0,0,0,1,0,0|1,0,0]=2 232 B6R1.6 CSC1CNC1 m_7__22987816__5046 [0,0,0,1,0,0|2,0,0]=3 233 B6R1.6 CSC1COC1 m_7__13420946__5046 [0,0,0,1,0,0|2,0,0]=3 234 B6R1.6 CSC1CSC1 m_7__20064714__5046 [0,0,0,1,0,0|2,0,0]=3 235 B3R0.1 CCSC m_62__875846__876088 [2,0,0,0,0,0|0,0,0]=2 236 B5R0.1 C=C(Br)CSC m_7__22602174__5046 [1,1,0,0,0,0|0,0,2]=4 237 B5R0.1 C=C(C)CSC m_62__6464432__876088 [1,1,0,0,0,0|0,0,1]=3 238 B5R0.1 C=C(Cl)CSC m_62__875850__11986396 [1,1,0,0,0,0|0,0,2]=4 239 B5R0.1 C=C(F)CSC m_62__17849116__876088 [1,1,0,0,0,0|0,0,2]=4 240 B5R0.1 C=C(I)CSC m_62__875850__18682540 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m_265282__7088216__4273530 [1,1,0,0,0,0|1,0,1]=4 256 B5R0.1 CSCC(=O)N m_7__10975714__5046 [1,1,0,0,0,0|0,0,1]=3 257 B5R0.1 CSCC(=O)O m_7__26823__5046 [1,1,0,0,0,0|1,0,1]=4 258 B5R0.1 CSCC(C)C m_62__1010136__876088 [1,1,0,0,0,0|0,0,0]=2 259 B5R0.1 CSCC(C)F m_62__875850__16913488 [1,1,0,0,0,0|0,0,0]=2 260 B5R0.1 CSCC(C)O m_7__10953796__5046 [1,1,0,0,0,0|0,0,0]=2 261 B5R0.1 CSCC(F)F m_7__22987700__5046 [1,1,0,0,0,0|1,0,0]=3 262 B5R0.1 CSC[C@H](C)N m_7__20871336__5046 [1,1,0,0,0,0|0,0,0]=2 263 B5R0.1 NCCC(=O)N m_270006__8381712__10478302 [1,1,0,0,0,0|0,1,1]=4 264 B5R0.3 CCC(=O)NC m_270062__7630660__22005658 [1,1,0,0,0,0|1,0,1]=4 265 B5R0.3 CCC(=O)NN m_240690__7868478__7404626 [1,1,0,0,0,0|1,0,1]=4 266 B5R0.3 CCC(=O)OC m_276436__14076652__14101862 [1,1,0,0,0,0|0,1,1]=4 267 B5R0.3 CCC(C)NC m_2230__22399526__2463448 [1,1,0,0,0,0|1,0,0]=3 268 B5R0.3 CCN(C)CC m_2230__678602__2463448 [1,1,0,0,0,0|2,0,0]=4 269 B5R0.3 CCN(C)OC m_2230__679026__22383854 [1,1,0,0,0,0|1,1,0]=4 270 B5R0.3 CCS(=O)CC m_1498__7021596__7021598 [1,1,0,0,0,0|2,0,0]=4 271 B5R0.3 CNC(=O)CN m_270006__8382028__10128098 [1,1,0,0,0,0|1,0,1]=4 272 B5R0.3 CNC(C)CCl m_2230__22399894__2463448 [1,1,0,0,0,0|2,0,0]=4 273 B5R0.3 CNC(C)CO m_269862__7193148__15157990 [1,1,0,0,0,0|2,0,0]=4 274 B5R0.3 CN[C@H](C)CF m_2230__22399906__2463448 [1,1,0,0,0,0|2,0,0]=4 275 B5R0.3 CN[C@H](C)CN m_269982__22505378__14064228 [1,1,0,0,0,0|1,0,0]=3 276 B5R0.3 CN[C@H](C)CO m_2230__22399532__2463448 [1,1,0,0,0,0|2,0,0]=4 277 B5R0.3 CSC(C)CO m_7__6338928__5046 [1,1,0,0,0,0|1,0,0]=3 278 B5R0.3 CS[C@@H](C)CN m_7__20871330__5046 [1,1,0,0,0,0|0,0,0]=2 279 B7R0.2 CC(=O)N[C@H](C)CN m_270006__11615546__8404996 [0,2,0,0,0,0|2,0,0]=4 280 B7R0.2 CC(C)N[C@H](C)CN m_269982__22505378__7393356 [0,2,0,0,0,0|2,0,0]=4 281 B7R0.2 CC(C)S[C@@H](C)CN m_7__20871330__5048 [0,2,0,0,0,0|2,0,0]=4 282 B7R0.2 CC(CN)CC(=O)N m_270006__8381712__11615938 [0,2,0,0,0,0|2,0,0]=4 283 B7R0.2 CC(CO)CN(C)C m_2230__5903708__2463448 [0,2,0,0,0,0|2,0,0]=4 284 B7R0.2 CCC(C)CC(=O)N m_22__58357__9278272 [0,2,0,0,0,0|1,0,1]=4 285 B7R0.2 CCC(C)CN(C)C m_2230__4599284__2463448 [0,2,0,0,0,0|2,0,0]=4 286 B7R0.2 CCC(C)CS(=O)C m_265282__7021600__4273530 [0,2,0,0,0,0|1,0,1]=4 287 B7R0.2 CCC(N)CN(C)C m_269982__22504842__14064228 [0,2,0,0,0,0|2,0,0]=4 288 B7R0.2 CCC(O)CN(C)C m_2230__15766958__2463448 [0,2,0,0,0,0|2,0,0]=4 289 B7R0.2 CCN(C)C[C@H](C)N m_269982__22504918__7393392 [0,2,0,0,0,0|2,0,0]=4 290 B7R0.2 CC[C@@H](N)CC(=O)N m_240690__7368526__13458218 [0,2,0,0,0,0|1,0,1]=4 291 B7R0.2 CC[C@H](O)CC(=O)N m_22__58357__24596596 [0,2,0,0,0,0|1,0,1]=4 292 B7R0.2 CN(C)CC(O)CF m_2230__14324520__2463448 [0,2,0,0,0,0|2,0,0]=4 293 B7R0.2 CN(C)CC(O)CN m_269982__10880336__14064228 [0,2,0,0,0,0|1,0,0]=3 294 B7R0.2 CN(C)C[C@@H](O)CO m_2230__22405902__2463448 [0,2,0,0,0,0|2,0,0]=4 295 B7R0.2 CNC(=O)C[C@@H](C)N m_270006__8382028__12625006 [0,2,0,0,0,0|1,0,1]=4 296 B7R0.2 CNC(C)CC(=O)N m_2230__22400102__2463448 [0,2,0,0,0,0|1,0,1]=4 297 B7R0.2 CNC(C)CC(C)C m_2230__22399870__2463448 [0,2,0,0,0,0|2,0,0]=4 298 B7R0.2 CNC(C)CC(C)O m_2230__22399846__2463448 [0,2,0,0,0,0|2,0,0]=4 299 B7R0.2 CNC(C)CC(F)F m_2230__22400820__2463448 [0,2,0,0,0,0|2,0,0]=4 300 B7R0.2 CN[C@H](C)CC(=O)N m_240690__7368526__17648630 [0,2,0,0,0,0|1,0,1]=4 301 B7R0.2 CN[C@H](C)C[C@@H](C)N m_269982__22505384__14064228 [0,2,0,0,0,0|1,0,0]=3 302 B7R0.2 COC(C)CC(=O)N m_22__58357__2501980 [0,2,0,0,0,0|0,1,1]=4 303 B7R0.2 CS(=O)CC(O)CO m_265282__10978846__4273530 [0,2,0,0,0,0|1,0,1]=4 304 B7R0.2 CSC(C)CC(=O)N m_22__58357__7841202 [0,2,0,0,0,0|0,0,1]=3 305 B7R0.2 CSC(C)CC(C)C m_62__875850__10643630 [0,2,0,0,0,0|1,0,0]=3 306 B7R0.2 NCC(O)CC(=O)N m_240690__7368526__12421074 [0,2,0,0,0,0|2,0,0]=4 307 B7R0.3 C#CCS[C@@H](C)CN m_7__20871330__6266 [0,2,0,0,0,0|1,0,1]=4 308 B7R0.3 C=C(CC)CSCC m_62__8265146__6469026 [0,2,0,0,0,0|1,0,1]=4 309 B7R0.3 C=C(CO)CSCC m_7__22987770__15422654 [0,2,0,0,0,0|1,0,1]=4 310 B7R0.3 C=CC(C)CSCC m_62__23815404__6469026 [0,2,0,0,0,0|1,0,1]=4 311 B7R0.3 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m_62__16640708__876088 [0,2,0,0,0,0|1,0,0]=3 326 B7R0.3 CCCCC(=NO)C m_4__388124__66742 [0,2,0,0,0,0|2,0,0]=4 327 B7R0.3 CCCCC(=O)NC m_22__387492__303718 [0,2,0,0,0,0|1,0,1]=4 328 B7R0.3 CCCCC(=O)NN m_240690__7868478__7404576 [0,2,0,0,0,0|1,0,1]=4 329 B7R0.3 CCCCC(=O)NO m_527__388132__156096 [0,2,0,0,0,0|1,0,1]=4 330 B7R0.3 CCCCC(=O)OC m_276436__14076652__14088340 [0,2,0,0,0,0|1,1,0]=4 331 B7R0.3 CCCCC(C)NC m_269862__7193148__7200136 [0,2,0,0,0,0|1,0,0]=3 332 B7R0.3 CCCCN(C)CC m_270004__8127976__24715004 [0,2,0,0,0,0|2,0,0]=4 333 B7R0.3 CCCCN(C)OC m_2230__679026__22993830 [0,2,0,0,0,0|1,1,0]=4 334 B7R0.3 CCCCS(=O)CC m_265282__10638440__4273536 [0,2,0,0,0,0|1,0,1]=4 335 B7R0.3 CCCNC(=O)CN m_270006__8378850__10128098 [0,2,0,0,0,0|1,0,1]=4 336 B7R0.3 CCCNC(C)CC m_2230__22399526__13271112 [0,2,0,0,0,0|2,0,0]=4 337 B7R0.3 CCCNC(C)CCl m_2230__22399894__13271112 [0,2,0,0,0,0|2,0,0]=4 338 B7R0.3 CCCNC(C)CO m_269862__7192572__15157990 [0,2,0,0,0,0|2,0,0]=4 339 B7R0.3 CCCN[C@H](C)CF m_2230__22399906__13271112 [0,2,0,0,0,0|2,0,0]=4 340 B7R0.3 CCCN[C@H](C)CN m_269982__22505378__13271120 [0,2,0,0,0,0|1,0,0]=3 341 B7R0.3 CCCN[C@H](C)CO m_2230__22399532__13271112 [0,2,0,0,0,0|2,0,0]=4 342 B7R0.3 CCCSC(C)CC m_7__22986886__14247828 [0,2,0,0,0,0|2,0,0]=4 343 B7R0.3 CCCSC(C)CO m_7__6338928__14390332 [0,2,0,0,0,0|2,0,0]=4 344 B7R0.3 CCCS[C@@H](C)CN m_7__20871330__14390332 [0,2,0,0,0,0|1,0,0]=3 345 B7R0.3 CCN(C)CCCF m_2230__22407906__2463448 [0,2,0,0,0,0|2,0,0]=4 346 B7R0.3 CCN(C)CCCN m_269982__21673718__14064228 [0,2,0,0,0,0|1,0,0]=3 347 B7R0.3 CCN(C)CCCO m_2230__6287314__2463448 [0,2,0,0,0,0|2,0,0]=4 348 B7R0.3 CCN(C)CCNC m_269982__10880304__7393392 [0,2,0,0,0,0|2,0,0]=4 349 B7R0.3 CCN(C)CCOC m_2230__10176424__2463448 [0,2,0,0,0,0|1,1,0]=4 350 B7R0.3 CCN(C)CCSC m_2230__11620998__2463448 [0,2,0,0,0,0|1,0,0]=3 351 B7R0.3 CCNCC(C)CC m_207__121480__7687310 [0,2,0,0,0,0|2,0,0]=4 352 B7R0.3 CCNCC(C)CO m_270004__8291276__24715004 [0,2,0,0,0,0|2,0,0]=4 353 B7R0.3 CCNCC(C)OC m_270004__9164178__24715004 [0,2,0,0,0,0|1,1,0]=4 354 B7R0.3 CCNCC(C)SC m_270004__8299206__24715004 [0,2,0,0,0,0|1,0,0]=3 355 B7R0.3 CCNCC(F)CO m_270004__17069732__24715004 [0,2,0,0,0,0|2,0,0]=4 356 B7R0.3 CCNCC(O)CC m_270004__24336106__24715004 [0,2,0,0,0,0|2,0,0]=4 357 B7R0.3 CCNCC(O)CF m_270004__13905838__24715004 [0,2,0,0,0,0|2,0,0]=4 358 B7R0.3 CCOCC(C)NC m_2230__22397432__2463448 [0,2,0,0,0,0|2,0,0]=4 359 B7R0.3 CCS(=O)CCCF m_265282__17315398__4273536 [0,2,0,0,0,0|1,0,1]=4 360 B7R0.3 CCS(=O)CCCO m_265282__10972298__4273536 [0,2,0,0,0,0|1,0,1]=4 361 B7R0.3 CCSCC(=O)CC m_7__22987770__2910268 [0,2,0,0,0,0|1,0,1]=4 362 B7R0.3 CCSCC(=O)NN m_240690__7868478__14930402 [0,2,0,0,0,0|1,0,1]=4 363 B7R0.3 CCSCC(=O)SC m_7__22987770__19493736 [0,2,0,0,0,0|1,0,1]=4 364 B7R0.3 CCSCC(Br)C#N m_7__22987770__22787952 [0,2,0,0,0,0|0,0,2]=4 365 B7R0.3 CCSCC(C)C#N m_7__22987770__22787436 [0,2,0,0,0,0|0,0,2]=4 366 B7R0.3 CCSCC(C)CC m_62__10709932__6469026 [0,2,0,0,0,0|1,0,0]=3 367 B7R0.3 CCSCC(C)CO m_7__6078536__5047 [0,2,0,0,0,0|1,0,0]=3 368 B7R0.3 CCSCC(C)OC m_62__875846__8738872 [0,2,0,0,0,0|1,1,0]=4 369 B7R0.3 CCSCC(Cl)C#N m_7__22987770__22787506 [0,2,0,0,0,0|0,0,2]=4 370 B7R0.3 CCSCC(F)CC m_62__9787600__6469026 [0,2,0,0,0,0|1,0,0]=3 371 B7R0.3 CCSCC(O)CC m_7__22988104__5047 [0,2,0,0,0,0|1,0,0]=3 372 B7R0.3 CCSCC(O)CF m_7__22987770__13890448 [0,2,0,0,0,0|1,0,0]=3 373 B7R0.3 CCSCC(O)CO m_7__22987770__3173190 [0,2,0,0,0,0|1,0,0]=3 374 B7R0.3 CCSC[C@@H](N)CC m_7__20871354__5047 [0,2,0,0,0,0|1,0,0]=3 375 B7R0.3 CNC(=O)CCCF m_22__387492__12105272 [0,2,0,0,0,0|2,0,0]=4 376 B7R0.3 CNC(=O)CCCN m_240690__7355834__3025682 [0,2,0,0,0,0|1,0,0]=3 377 B7R0.3 CNC(=O)CCNO m_240690__7355834__21394576 [0,2,0,0,0,0|1,0,1]=4 378 B7R0.3 CNC(=O)CCOC m_22__387492__2909590 [0,2,0,0,0,0|0,1,1]=4 379 B7R0.3 CNC(=O)CCSC m_22__387492__60462 [0,2,0,0,0,0|0,0,1]=3 380 B7R0.3 CNC(=O)NCCN m_273454__11052604__11052384 [0,2,0,0,0,0|1,0,1]=4 381 B7R0.3 CNC(=O)NCSC m_68__1086610__21690130 [0,2,0,0,0,0|1,0,1]=4 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m_240690__7868478__3025682 [0,2,0,0,0,0|2,0,0]=4 411 B7R0.3 NCCNC(=O)CN m_270006__11615266__10128098 [0,2,0,0,0,0|2,0,0]=4 412 B7R0.3 NCCNC(=O)CO m_240690__3025612__17025660 [0,2,0,0,0,0|2,0,0]=4 413 B7R0.5 CC(=O)N(C)CCN m_270006__11615778__8404996 [0,2,0,0,0,0|2,0,0]=4 414 B7R0.5 CC(C)N(C)CCN m_269982__10894792__7393356 [0,2,0,0,0,0|2,0,0]=4 415 B7R0.5 CC(CCN)C(=O)N m_240690__7368526__13757912 [0,2,0,0,0,0|2,0,0]=4 416 B7R0.5 CC(CCO)N(C)C m_2230__11733728__2463448 [0,2,0,0,0,0|2,0,0]=4 417 B7R0.5 CCCC(C)C(=O)N m_22__58357__4836770 [0,2,0,0,0,0|1,0,1]=4 418 B7R0.5 CCCC(C)N(C)C m_2230__679538__2463448 [0,2,0,0,0,0|2,0,0]=4 419 B7R0.5 CCCC(F)C(=O)N m_22__58357__24596600 [0,2,0,0,0,0|1,0,1]=4 420 B7R0.5 CCCC(N)C(=O)N m_270006__8381712__7641744 [0,2,0,0,0,0|1,0,1]=4 421 B7R0.5 CCC[C@@H](N)C(=O)N m_240690__7368526__3025708 [0,2,0,0,0,0|1,0,1]=4 422 B7R0.5 CCC[C@H](O)C(=O)N m_22__58357__13422066 [0,2,0,0,0,0|1,0,1]=4 423 B7R0.5 CCNC(C)C(C)N m_269982__22505178__7393392 [0,2,0,0,0,0|2,0,0]=4 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[0,2,0,0,0,0|2,0,0]=4 452 B7R0.7 CCNC(C)COC m_270004__8160850__8844972 [0,2,0,0,0,0|1,1,0]=4 453 B7R0.7 CCNC(C)CSC m_2230__22400632__22383854 [0,2,0,0,0,0|1,0,0]=3 454 B7R0.7 CCN[C@@H](C)CCO m_270004__13469994__24715004 [0,2,0,0,0,0|2,0,0]=4 455 B7R0.7 CCN[C@@H](C)CSC m_270004__23847226__24715004 [0,2,0,0,0,0|1,0,0]=3 456 B7R0.7 CCN[C@H](C)CCF m_2230__22404666__22383854 [0,2,0,0,0,0|2,0,0]=4 457 B7R0.7 CCN[C@H](C)COC m_2230__22399844__22383854 [0,2,0,0,0,0|1,1,0]=4 458 B7R0.7 CCOC(=O)CSC m_7__27132__5046 [0,2,0,0,0,0|1,0,1]=4 459 B7R0.7 CCOC(C)SCC m_7__22987770__13420948 [0,2,0,0,0,0|2,0,0]=4 460 B7R0.7 CCSC(C)CCO m_7__22987770__14772890 [0,2,0,0,0,0|1,0,0]=3 461 B7R0.7 CCSC(C)COC m_7__22987770__6339266 [0,2,0,0,0,0|1,1,0]=4 462 B7R0.7 CN(CCN)CCF m_269982__10894792__22320816 [0,2,0,0,0,0|2,0,0]=4 463 B7R0.7 CN(CCN)CCN m_269982__10894792__14439794 [0,2,0,0,0,0|2,0,0]=4 464 B7R0.7 CN(CCN)CCO m_269982__22515300__14439794 [0,2,0,0,0,0|2,0,0]=4 465 B7R0.7 CNNC(=O)CCN 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m_269982__22505480__7393392 [0,2,0,0,0,0|2,0,0]=4 508 B7R0.12 CCNC(CN)CN m_269982__10300044__7393392 [0,2,0,0,0,0|2,0,0]=4 509 B7R0.12 CCNC(CN)CO m_269982__22505370__7393392 [0,2,0,0,0,0|2,0,0]=4 510 B7R0.12 CCSC(CC)CN m_7__20871318__5047 [0,2,0,0,0,0|2,0,0]=4 511 B7R0.12 CC[C@@H](CCO)NC m_2230__22403216__2463448 [0,2,0,0,0,0|2,0,0]=4 512 B7R0.12 CC[C@H](COC)NC m_2230__22399910__2463448 [0,2,0,0,0,0|1,1,0]=4 513 B7R0.12 CNC(CO)CCF m_2230__22400124__2463448 [0,2,0,0,0,0|2,0,0]=4 514 B7R0.12 CNC(CO)CCO m_2230__22404146__2463448 [0,2,0,0,0,0|2,0,0]=4 515 B7R0.12 CN[C@@H](CF)COC m_2230__22402942__2463448 [0,2,0,0,0,0|1,1,0]=4 516 B7R0.12 CN[C@@H](CO)COC m_2230__22399896__2463448 [0,2,0,0,0,0|1,1,0]=4 517 B7R0.12 CN[C@@H](CO)CSC m_2230__22400134__2463448 [0,2,0,0,0,0|1,0,0]=3 518 B7R0.12 COC(CSC)OC m_7__14468178__5046 [0,2,0,0,0,0|2,0,0]=4 519 B7R0.4 C#CCCCC(=O)N m_22__58357__9322364 [0,2,0,0,0,0|1,0,1]=4 520 B7R0.4 C#CCCCN(C)C m_2230__21228904__2463448 [0,2,0,0,0,0|1,0,1]=4 521 B7R0.4 C#CCCSC(C)C m_62__2390328__18060662 [0,2,0,0,0,0|1,0,1]=4 522 B7R0.4 C#CCSC[C@H](C)N m_7__20871336__6266 [0,2,0,0,0,0|1,0,1]=4 523 B7R0.4 C=C(Br)CCSCC m_62__15782476__6469026 [0,2,0,0,0,0|1,0,1]=4 524 B7R0.4 C=C(Br)CSCCN m_7__20871276__1199096 [0,2,0,0,0,0|1,0,1]=4 525 B7R0.4 C=C(C)CCCSC m_62__13608160__876088 [0,2,0,0,0,0|1,0,0]=3 526 B7R0.4 C=C(C)CCNCC m_270004__10740086__24715004 [0,2,0,0,0,0|2,0,0]=4 527 B7R0.4 C=C(C)CCSCC m_62__10158742__6469026 [0,2,0,0,0,0|1,0,1]=4 528 B7R0.4 C=C(C)CSCCC m_62__6464432__875868 [0,2,0,0,0,0|2,0,0]=4 529 B7R0.4 C=C(C)CSCCN m_7__20871276__5949 [0,2,0,0,0,0|1,0,0]=3 530 B7R0.4 C=C(C)CSCCO m_62__6464432__10178562 [0,2,0,0,0,0|2,0,0]=4 531 B7R0.4 C=C(Cl)CSCCN m_7__20871276__6562 [0,2,0,0,0,0|1,0,1]=4 532 B7R0.4 C=C(F)CSCCN m_7__20871276__22787510 [0,2,0,0,0,0|1,0,1]=4 533 B7R0.4 C=C(I)CSCCN m_7__20871276__18682532 [0,2,0,0,0,0|1,0,1]=4 534 B7R0.4 C=CCCCC(=O)N m_22__58357__6508188 [0,2,0,0,0,0|1,0,1]=4 535 B7R0.4 C=CCCCN(C)C m_2230__13768422__2463448 [0,2,0,0,0,0|1,0,1]=4 536 B7R0.4 C=CCCSC(C)C m_62__2390328__9875548 [0,2,0,0,0,0|1,0,1]=4 537 B7R0.4 C=CCSC[C@H](C)N m_7__20871336__3427024 [0,2,0,0,0,0|1,0,1]=4 538 B7R0.4 CC#CCCC(=O)N m_22__58357__20826394 [0,2,0,0,0,0|1,0,1]=4 539 B7R0.4 CC(=O)CSCCO m_7__128807__5065 [0,2,0,0,0,0|2,0,0]=4 540 B7R0.4 CC(=O)NCCCCl m_11__22168212__53455 [0,2,0,0,0,0|2,0,0]=4 541 B7R0.4 CC(=O)NCCCF m_270062__17065598__15585492 [0,2,0,0,0,0|2,0,0]=4 542 B7R0.4 CC(=O)NCCCN m_270006__11615278__8404996 [0,2,0,0,0,0|1,0,0]=3 543 B7R0.4 CC(=O)NCCCO m_270062__7600302__15585492 [0,2,0,0,0,0|2,0,0]=4 544 B7R0.4 CC(=O)NCCON m_240690__19116814__7404532 [0,2,0,0,0,0|2,0,0]=4 545 B7R0.4 CC(=O)NOCCN m_240690__13596414__7404532 [0,2,0,0,0,0|2,0,0]=4 546 B7R0.4 CC(=O)OCCCF m_1458__473186__16896934 [0,2,0,0,0,0|1,1,0]=4 547 B7R0.4 CC(=O)OCCCI m_1458__473186__8624952 [0,2,0,0,0,0|1,1,0]=4 548 B7R0.4 CC(=O)OCCCO m_1458__473186__484772 [0,2,0,0,0,0|1,1,0]=4 549 B7R0.4 CC(C)CNCCF m_207__18491578__121216 [0,2,0,0,0,0|2,0,0]=4 550 B7R0.4 CC(C)CNCCO m_207__121484__121216 [0,2,0,0,0,0|2,0,0]=4 551 B7R0.4 CC(C)CSCCF m_7__27301__22320828 [0,2,0,0,0,0|2,0,0]=4 552 B7R0.4 CC(C)CSCCN m_7__20871276__1010132 [0,2,0,0,0,0|1,0,0]=3 553 B7R0.4 CC(C)CSCCO m_7__27301__102708 [0,2,0,0,0,0|2,0,0]=4 554 B7R0.4 CC(C)NCCCF m_269862__17065594__7204804 [0,2,0,0,0,0|2,0,0]=4 555 B7R0.4 CC(C)NCCCO m_269862__7192678__7204804 [0,2,0,0,0,0|2,0,0]=4 556 B7R0.4 CC(C)SCCC#N m_7__10953802__5048 [0,2,0,0,0,0|0,0,2]=4 557 B7R0.4 CC(C)SCCCN m_7__20871288__5048 [0,2,0,0,0,0|0,0,0]=2 558 B7R0.4 CC(C)SCCCO m_7__10972294__5048 [0,2,0,0,0,0|1,0,0]=3 559 B7R0.4 CC(F)CSCCN m_7__20871276__16970746 [0,2,0,0,0,0|1,0,0]=3 560 B7R0.4 CC(F)CSCCO m_7__128807__16970746 [0,2,0,0,0,0|2,0,0]=4 561 B7R0.4 CC(O)CNCCF m_273610__13857118__11516404 [0,2,0,0,0,0|2,0,0]=4 562 B7R0.4 CC(O)CNCCO m_273610__11554104__11516404 [0,2,0,0,0,0|2,0,0]=4 563 B7R0.4 CC(O)CSCCF m_7__10953796__22320828 [0,2,0,0,0,0|2,0,0]=4 564 B7R0.4 CC(O)CSCCN m_7__20871276__10902704 [0,2,0,0,0,0|1,0,0]=3 565 B7R0.4 CC(O)CSCCO m_7__10953796__102708 [0,2,0,0,0,0|2,0,0]=4 566 B7R0.4 CC=CCCC(=O)N m_22__58357__16726278 [0,2,0,0,0,0|1,0,1]=4 567 B7R0.4 CCCCCC(=O)N m_22__58357__294124 [0,2,0,0,0,0|1,0,0]=3 568 B7R0.4 CCCCCN(C)C m_2230__22407254__2463448 [0,2,0,0,0,0|1,0,0]=3 569 B7R0.4 CCCCCS(=O)C m_265282__8271846__4273530 [0,2,0,0,0,0|1,0,1]=4 570 B7R0.4 CCCCNC(=N)N m_58668__2550710__2227896 [0,2,0,0,0,0|1,0,1]=4 571 B7R0.4 CCCCNC(=O)C m_270062__7594820__15585492 [0,2,0,0,0,0|2,0,0]=4 572 B7R0.4 CCCCNC(=O)N m_2554__826702__788524 [0,2,0,0,0,0|1,0,1]=4 573 B7R0.4 CCCCNC(C)C m_269862__7192636__7204804 [0,2,0,0,0,0|2,0,0]=4 574 B7R0.4 CCCCOC(=O)C m_276436__14076536__14088324 [0,2,0,0,0,0|1,1,0]=4 575 B7R0.4 CCCCOC(=O)N m_282070__22187654__22312810 [0,2,0,0,0,0|1,0,1]=4 576 B7R0.4 CCCCSC(C)C m_62__2390328__7021588 [0,2,0,0,0,0|1,0,0]=3 577 B7R0.4 CCCNCC(=O)N m_240690__7368526__21393044 [0,2,0,0,0,0|1,0,1]=4 578 B7R0.4 CCCNCC(C)C m_207__109413__121216 [0,2,0,0,0,0|2,0,0]=4 579 B7R0.4 CCCNCC(C)O m_273610__13857032__11516404 [0,2,0,0,0,0|2,0,0]=4 580 B7R0.4 CCCOCC(=O)N m_22__58357__2009696 [0,2,0,0,0,0|1,0,1]=4 581 B7R0.4 CCCSCC(=O)C m_7__22986886__5065 [0,2,0,0,0,0|2,0,0]=4 582 B7R0.4 CCCSCC(=O)N m_7__10975714__14390332 [0,2,0,0,0,0|1,0,1]=4 583 B7R0.4 CCCSCC(C)C m_62__1010136__875868 [0,2,0,0,0,0|2,0,0]=4 584 B7R0.4 CCCSCC(C)F m_62__875778__16913488 [0,2,0,0,0,0|2,0,0]=4 585 B7R0.4 CCCSCC(C)O m_7__10953796__14390332 [0,2,0,0,0,0|2,0,0]=4 586 B7R0.4 CCCSCC(F)F m_7__22986886__16886816 [0,2,0,0,0,0|2,0,0]=4 587 B7R0.4 CCCSC[C@H](C)N m_7__20871336__14390332 [0,2,0,0,0,0|1,0,0]=3 588 B7R0.4 CCNCCC(=O)N m_240690__7368526__15160658 [0,2,0,0,0,0|1,0,1]=4 589 B7R0.4 CCNCCC(C)C m_207__121480__134014 [0,2,0,0,0,0|2,0,0]=4 590 B7R0.4 CCNCCC(C)F m_270004__10546066__24715004 [0,2,0,0,0,0|2,0,0]=4 591 B7R0.4 CCNCCC(C)O m_270004__8296476__24715004 [0,2,0,0,0,0|2,0,0]=4 592 B7R0.4 CCNCCC(Cl)Cl m_270004__23845876__24715004 [0,2,0,0,0,0|2,0,0]=4 593 B7R0.4 CCNCCC(F)F m_270004__13943058__24715004 [0,2,0,0,0,0|2,0,0]=4 594 B7R0.4 CCNCCN(C)C m_270004__9143630__24715004 [0,2,0,0,0,0|2,0,0]=4 595 B7R0.4 CCNCCS(=O)C m_270004__8296826__24715004 [0,2,0,0,0,0|1,0,1]=4 596 B7R0.4 CCOCCC(=O)N m_22__58357__3124140 [0,2,0,0,0,0|0,1,1]=4 597 B7R0.4 CCOCCN(C)C m_2230__8253658__2463448 [0,2,0,0,0,0|2,0,0]=4 598 B7R0.4 CCSCCC(=O)C m_7__22987770__107330 [0,2,0,0,0,0|1,0,1]=4 599 B7R0.4 CCSCCC(=O)N m_62__875846__593690 [0,2,0,0,0,0|0,0,1]=3 600 B7R0.4 CCSCCC(C)C m_62__7021584__6469026 [0,2,0,0,0,0|1,0,0]=3 601 B7R0.4 CCSCCC(C)F m_62__13165346__6469026 [0,2,0,0,0,0|1,0,0]=3 602 B7R0.4 CCSCCC(C)N m_34__20871470__7791662 [0,2,0,0,0,0|0,0,0]=2 603 B7R0.4 CCSCCC(C)O m_62__12057938__6469026 [0,2,0,0,0,0|1,0,0]=3 604 B7R0.4 CCSCCC(F)F m_7__22986868__5047 [0,2,0,0,0,0|1,0,0]=3 605 B7R0.4 CCSCCN(C)C m_7__22987770__391100 [0,2,0,0,0,0|2,0,0]=4 606 B7R0.4 CCSCCS(=O)C m_7__22987770__11566584 [0,2,0,0,0,0|1,0,1]=4 607 B7R0.4 CCSCSC(C)C m_7__22987770__12306378 [0,2,0,0,0,0|2,0,0]=4 608 B7R0.4 CN(C)CCCCO m_2230__9209606__2463448 [0,2,0,0,0,0|2,0,0]=4 609 B7R0.4 CNCCCC(=O)N m_270006__8381712__11615860 [0,2,0,0,0,0|1,0,0]=3 610 B7R0.4 CNCCCC(C)C m_207__134027__7912414 [0,2,0,0,0,0|1,0,0]=3 611 B7R0.4 CNCCCN(C)C m_269982__10972426__14064228 [0,2,0,0,0,0|1,0,0]=3 612 B7R0.4 CNCCNC(=O)C m_270006__11615364__8404996 [0,2,0,0,0,0|2,0,0]=4 613 B7R0.4 CNCCNC(=O)N m_273454__11052694__11052394 [0,2,0,0,0,0|1,0,1]=4 614 B7R0.4 CNCCSC(C)C m_7__22986920__5048 [0,2,0,0,0,0|2,0,0]=4 615 B7R0.4 COCCCC(=O)N m_22__58357__872478 [0,2,0,0,0,0|0,1,0]=3 616 B7R0.4 COCCCN(C)C m_2230__2067964__2463448 [0,2,0,0,0,0|0,1,0]=3 617 B7R0.4 COCCCS(=O)C m_265282__14913760__4273530 [0,2,0,0,0,0|1,0,1]=4 618 B7R0.4 COCCNC(=N)N m_58668__2550562__2227896 [0,2,0,0,0,0|0,1,1]=4 619 B7R0.4 COCCNC(=O)N m_2554__826678__788524 [0,2,0,0,0,0|0,1,1]=4 620 B7R0.4 COCCNC(C)C m_269862__7192698__7204804 [0,2,0,0,0,0|1,1,0]=4 621 B7R0.4 COCCOC(=O)N m_282070__22187654__22151574 [0,2,0,0,0,0|0,1,1]=4 622 B7R0.4 COCCSC(C)C m_62__2390328__8623480 [0,2,0,0,0,0|1,1,0]=4 623 B7R0.4 COCSCC(C)C m_7__27301__6762 [0,2,0,0,0,0|1,1,0]=4 624 B7R0.4 COCSCC(C)O m_7__10953796__6762 [0,2,0,0,0,0|1,1,0]=4 625 B7R0.4 COCSCC(F)F m_7__22987700__6762 [0,2,0,0,0,0|1,1,0]=4 626 B7R0.4 CONCCC(=O)N m_240690__7368526__15414628 [0,2,0,0,0,0|0,1,1]=4 627 B7R0.4 CSCCC=C(C)C m_62__12121620__876088 [0,2,0,0,0,0|1,0,1]=4 628 B7R0.4 CSCCCC(=O)N m_22__58357__5135670 [0,2,0,0,0,0|0,0,0]=2 629 B7R0.4 CSCCCC(C)C m_62__10892842__876088 [0,2,0,0,0,0|1,0,0]=3 630 B7R0.4 CSCCCC(Cl)Cl m_62__875850__23915480 [0,2,0,0,0,0|1,0,0]=3 631 B7R0.4 CSCCCC(F)F m_62__875850__18239798 [0,2,0,0,0,0|1,0,0]=3 632 B7R0.4 CSCCCN(C)C m_7__15765946__5046 [0,2,0,0,0,0|0,0,0]=2 633 B7R0.4 CSCCNC(=N)N m_58668__11946702__2227896 [0,2,0,0,0,0|0,0,1]=3 634 B7R0.4 CSCCNC(=O)C m_270062__16414418__15585492 [0,2,0,0,0,0|1,0,1]=4 635 B7R0.4 CSCCNC(=O)N m_2554__11946694__788524 [0,2,0,0,0,0|0,0,1]=3 636 B7R0.4 CSCCNC(C)C m_269862__11963794__7204804 [0,2,0,0,0,0|1,0,0]=3 637 B7R0.4 CSCCOC(=O)C m_276436__14078554__14088324 [0,2,0,0,0,0|1,0,1]=4 638 B7R0.4 CSCCOC(C)C m_62__3569224__876088 [0,2,0,0,0,0|1,0,0]=3 639 B7R0.4 CSCCOC(F)F m_62__13445082__876088 [0,2,0,0,0,0|1,0,0]=3 640 B7R0.4 CSCCSC(C)C m_62__2390328__8268572 [0,2,0,0,0,0|1,0,0]=3 641 B7R0.4 CSCSCC(C)C m_7__27301__10542644 [0,2,0,0,0,0|1,0,0]=3 642 B7R0.4 CSCSCC(C)O m_7__10953796__10542644 [0,2,0,0,0,0|1,0,0]=3 643 B7R0.4 CSCSCC(F)F m_7__22987700__10542644 [0,2,0,0,0,0|1,0,0]=3 644 B7R0.4 C[C@H](N)CSCC#N m_7__20871336__5055 [0,2,0,0,0,0|2,0,0]=4 645 B7R0.4 C[C@H](N)CSCCF m_7__20871336__22320828 [0,2,0,0,0,0|2,0,0]=4 646 B7R0.4 C[C@H](N)CSCCO m_7__20871336__6166114 [0,2,0,0,0,0|2,0,0]=4 647 B7R0.4 N#CCCCC(=O)N m_22__58357__10389864 [0,2,0,0,0,0|2,0,0]=4 648 B7R0.4 NC(=O)CCCCCl m_22__58357__7592952 [0,2,0,0,0,0|1,0,1]=4 649 B7R0.4 NC(=O)CCCCF m_22__58357__15414764 [0,2,0,0,0,0|1,0,1]=4 650 B7R0.4 NCCCCC(=O)N m_270006__8381712__11615982 [0,2,0,0,0,0|1,0,1]=4 651 B7R0.4 NCCCNC(=O)N m_273454__11052616__11052394 [0,2,0,0,0,0|1,0,1]=4 652 B7R0.4 NCCNCC(=O)N m_240690__7368526__10880430 [0,2,0,0,0,0|2,0,0]=4 653 B7R0.4 NCCOCC(=O)N m_270006__8381712__11615886 [0,2,0,0,0,0|2,0,0]=4 654 B7R0.4 NCCSCC(=O)N m_7__20871276__5054 [0,2,0,0,0,0|2,0,0]=4 655 B7R0.4 NCCSCC(F)F m_7__20871276__16886816 [0,2,0,0,0,0|2,0,0]=4 656 B7R0.6 CC(=O)CCC(=O)N m_22__58357__59017 [0,2,0,0,0,0|1,0,1]=4 657 B7R0.6 CC(=O)NCC(C)N m_270006__11615612__8404996 [0,2,0,0,0,0|2,0,0]=4 658 B7R0.6 CC(C)CCC(=O)N m_22__58357__60606 [0,2,0,0,0,0|1,0,1]=4 659 B7R0.6 CC(C)CCS(=O)C m_265282__6201344__4273530 [0,2,0,0,0,0|1,0,1]=4 660 B7R0.6 CC(C)SC[C@H](C)N m_7__20871336__5048 [0,2,0,0,0,0|2,0,0]=4 661 B7R0.6 CC(N)CCC(=O)N m_270006__8381712__11616034 [0,2,0,0,0,0|1,0,1]=4 662 B7R0.6 CN(C)CCC(=O)N m_22__58357__7207492 [0,2,0,0,0,0|1,0,1]=4 663 B7R0.6 C[C@H](O)CCN(C)C m_2230__18186218__2463448 [0,2,0,0,0,0|2,0,0]=4 664 B7R0.8 CC(F)(F)SCCN m_7__20871276__16733592 [0,2,0,0,0,0|2,0,0]=4 665 B7R0.8 CCCCS(=O)(=O)C m_2714__10638524__862380 [0,2,0,0,0,0|1,0,1]=4 666 B7R0.8 CCCCS(=O)(=O)N m_40__79957__6289442 [0,2,0,0,0,0|2,0,0]=4 667 B7R0.8 CCSCC(C)(C)N m_7__22849170__5047 [0,2,0,0,0,0|2,0,0]=4 668 B7R0.8 CNCCC(C)(C)C m_207__134027__2989446 [0,2,0,0,0,0|2,0,0]=4 669 B7R0.8 CNCCS(=O)(=O)N m_270084__8420028__18313592 [0,2,0,0,0,0|2,0,0]=4 670 B7R0.8 COCCS(=O)(=O)N m_40__79957__1731080 [0,2,0,0,0,0|1,1,0]=4 671 B7R0.8 CS(=O)(=O)CCCF m_2714__17315396__862380 [0,2,0,0,0,0|1,0,1]=4 672 B7R0.8 CS(=O)(=O)CCCO m_2714__10972296__862380 [0,2,0,0,0,0|1,0,1]=4 673 B7R0.8 CS(=O)(=O)NCCN m_270084__7650486__7644248 [0,2,0,0,0,0|1,0,1]=4 674 B7R0.8 CSCCC(C)(C)C m_62__9143140__876088 [0,2,0,0,0,0|1,0,0]=3 675 B7R0.8 CSCCC(C)(C)F m_62__16725006__876088 [0,2,0,0,0,0|1,0,0]=3 676 B7R0.8 CSCCC(C)(C)O m_7__11758710__5046 [0,2,0,0,0,0|1,0,0]=3 677 B7R0.8 CSCCC(C)(F)F m_62__16619054__876088 [0,2,0,0,0,0|1,0,0]=3 678 B7R0.8 CSCCC(Cl)(Cl)Cl m_62__875850__8858000 [0,2,0,0,0,0|1,0,0]=3 679 B7R0.8 CSCCC(F)(F)F m_62__9399806__876088 [0,2,0,0,0,0|1,0,0]=3 680 B7R0.8 CSCCS(=O)(=O)C m_62__875850__9458504 [0,2,0,0,0,0|2,0,0]=4 681 B7R0.8 CSCCS(=O)(=O)N m_40__79957__16762038 [0,2,0,0,0,0|1,0,0]=3 682 B7R0.8 NCCCS(=O)(=O)N m_270084__8420028__14432140 [0,2,0,0,0,0|1,0,1]=4 683 B7R0.1 C#CCCCCSC m_62__875850__17318686 [0,2,0,0,0,0|1,0,0]=3 684 B7R0.1 C#CCCCNCC m_270004__9228486__24715004 [0,2,0,0,0,0|1,0,1]=4 685 B7R0.1 C#CCCCSCC m_62__875846__17850946 [0,2,0,0,0,0|1,0,0]=3 686 B7R0.1 C#CCCSCC=C m_62__8363994__18060662 [0,2,0,0,0,0|1,0,1]=4 687 B7R0.1 C#CCCSCCC m_62__875778__18060662 [0,2,0,0,0,0|1,0,1]=4 688 B7R0.1 C#CCCSCCN m_7__20871276__18060656 [0,2,0,0,0,0|1,0,1]=4 689 B7R0.1 C#CCCSCCO m_62__18060672__10178562 [0,2,0,0,0,0|1,0,1]=4 690 B7R0.1 C#CCOCCSC m_62__875850__19973326 [0,2,0,0,0,0|1,0,0]=3 691 B7R0.1 C#CCOCSCC m_7__22987770__10548336 [0,2,0,0,0,0|1,0,1]=4 692 B7R0.1 C#CCSCCC#N m_7__10953802__6266 [0,2,0,0,0,0|0,0,2]=4 693 B7R0.1 C#CCSCCCN m_7__20871288__6266 [0,2,0,0,0,0|0,0,0]=2 694 B7R0.1 C#CCSCCCO m_7__10972294__6266 [0,2,0,0,0,0|1,0,0]=3 695 B7R0.1 C#CCSCCNC m_7__22986920__6266 [0,2,0,0,0,0|1,0,1]=4 696 B7R0.1 C#CCSCCOC m_7__6362310__6266 [0,2,0,0,0,0|1,1,0]=4 697 B7R0.1 C/C=C/CCNCC m_270004__23849830__24715004 [0,2,0,0,0,0|1,0,1]=4 698 B7R0.1 C/C=C/CCSCC m_62__23858414__6469026 [0,2,0,0,0,0|1,0,1]=4 699 B7R0.1 C=C=CCCSCC m_7__22987770__17309916 [0,2,0,0,0,0|1,0,1]=4 700 B7R0.1 C=C=CCSCCN m_7__20871276__22839656 [0,2,0,0,0,0|1,0,1]=4 701 B7R0.1 C=CC=CCCSC m_62__875850__12907968 [0,2,0,0,0,0|1,0,1]=4 702 B7R0.1 C=CCCCCSC m_62__875850__10744420 [0,2,0,0,0,0|1,0,0]=3 703 B7R0.1 C=CCCCNCC m_270004__8160850__17507834 [0,2,0,0,0,0|1,0,1]=4 704 B7R0.1 C=CCCCSCC m_62__875846__16929012 [0,2,0,0,0,0|1,0,0]=3 705 B7R0.1 C=CCCSCC=C m_62__9875552__8363982 [0,2,0,0,0,0|1,0,1]=4 706 B7R0.1 C=CCCSCCC m_62__875778__9875548 [0,2,0,0,0,0|1,0,1]=4 707 B7R0.1 C=CCCSCCN m_7__20871276__8929468 [0,2,0,0,0,0|1,0,1]=4 708 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CCCCCSCC m_62__5063390__6469026 [0,2,0,0,0,0|1,0,0]=3 739 B7R0.1 CCCCSCCC m_7__22986886__770176 [0,2,0,0,0,0|1,0,0]=3 740 B7R0.1 CCCCSCCN m_7__20871276__131272 [0,2,0,0,0,0|1,0,0]=3 741 B7R0.1 CCCCSCCO m_7__128807__770176 [0,2,0,0,0,0|1,0,0]=3 742 B7R0.1 CCCNCCC#N m_273610__13857032__11515974 [0,2,0,0,0,0|1,0,1]=4 743 B7R0.1 CCCOCCSC m_62__875850__15503588 [0,2,0,0,0,0|1,0,0]=3 744 B7R0.1 CCCOCSCC m_7__22987770__12361582 [0,2,0,0,0,0|1,0,0]=3 745 B7R0.1 CCCSCCC#N m_7__10953802__14390332 [0,2,0,0,0,0|0,0,2]=4 746 B7R0.1 CCCSCCCF m_7__22986886__16896928 [0,2,0,0,0,0|1,0,0]=3 747 B7R0.1 CCCSCCCN m_7__20871288__14390332 [0,2,0,0,0,0|0,0,0]=2 748 B7R0.1 CCCSCCCO m_7__22986886__6354 [0,2,0,0,0,0|1,0,0]=3 749 B7R0.1 CCCSCCNC m_7__22986920__14390332 [0,2,0,0,0,0|1,0,0]=3 750 B7R0.1 CCCSCCOC m_62__875778__8623480 [0,2,0,0,0,0|1,1,0]=4 751 B7R0.1 CCCSCCSC m_62__875778__8268572 [0,2,0,0,0,0|1,0,0]=3 752 B7R0.1 CCCSCOCC m_7__22986886__10176980 [0,2,0,0,0,0|1,1,0]=4 753 B7R0.1 CCCSCSCC m_7__22986886__9456150 [0,2,0,0,0,0|1,0,0]=3 754 B7R0.1 CCNCCCC#N m_270004__8685806__24715004 [0,2,0,0,0,0|1,0,1]=4 755 B7R0.1 CCNCCCCCl m_270004__8160850__24721168 [0,2,0,0,0,0|2,0,0]=4 756 B7R0.1 CCNCCCCF m_270004__10390196__24715004 [0,2,0,0,0,0|2,0,0]=4 757 B7R0.1 CCNCCCCO m_270004__9433178__24715004 [0,2,0,0,0,0|2,0,0]=4 758 B7R0.1 CCNCCCOC m_270004__8288582__24715004 [0,2,0,0,0,0|0,1,0]=3 759 B7R0.1 CCNCCCSC m_270004__8296868__24715004 [0,2,0,0,0,0|0,0,0]=2 760 B7R0.1 CCNCCOCC m_270004__8349722__24715004 [0,2,0,0,0,0|1,1,0]=4 761 B7R0.1 CCNCCSCC m_7__22986872__5047 [0,2,0,0,0,0|1,0,0]=3 762 B7R0.1 CCOCCCSC m_62__5730880__876088 [0,2,0,0,0,0|1,0,0]=3 763 B7R0.1 CCOCCSCC m_62__204255__6469026 [0,2,0,0,0,0|1,0,0]=3 764 B7R0.1 CCOCSCCN m_7__20871276__10176980 [0,2,0,0,0,0|0,1,0]=3 765 B7R0.1 CCOCSCCO m_7__128807__10176980 [0,2,0,0,0,0|1,1,0]=4 766 B7R0.1 CCSCC#CCO m_62__875846__15141012 [0,2,0,0,0,0|1,0,1]=4 767 B7R0.1 CCSCC=CCO m_7__22987770__16809272 [0,2,0,0,0,0|1,0,1]=4 768 B7R0.1 CCSCCC=NO m_4__388124__8623944 [0,2,0,0,0,0|0,0,2]=4 769 B7R0.1 CCSCCCC#N m_62__875846__9273958 [0,2,0,0,0,0|0,0,1]=3 770 B7R0.1 CCSCCCCF m_62__875846__10157916 [0,2,0,0,0,0|1,0,0]=3 771 B7R0.1 CCSCCCCN m_34__20871448__7791662 [0,2,0,0,0,0|0,0,0]=2 772 B7R0.1 CCSCCCCO m_7__22987770__3191338 [0,2,0,0,0,0|1,0,0]=3 773 B7R0.1 CCSCCCOC m_62__875846__9108904 [0,2,0,0,0,0|1,0,0]=3 774 B7R0.1 CCSCCCON m_7__22987730__5047 [0,2,0,0,0,0|0,0,0]=2 775 B7R0.1 CCSCCCSC m_7__10890048__5047 [0,2,0,0,0,0|1,0,0]=3 776 B7R0.1 CCSCCSC#N m_7__22987770__15064758 [0,2,0,0,0,0|0,0,2]=4 777 B7R0.1 CCSCCSCC m_7__8765656__5047 [0,2,0,0,0,0|1,0,0]=3 778 B7R0.1 CCSCSCCN m_7__20871276__9456150 [0,2,0,0,0,0|0,0,0]=2 779 B7R0.1 CCSCSCCO m_7__128807__9456150 [0,2,0,0,0,0|1,0,0]=3 780 B7R0.1 CNCCCCC#N m_207__134027__23296152 [0,2,0,0,0,0|1,0,1]=4 781 B7R0.1 CNCCSCC#N m_7__22986920__5055 [0,2,0,0,0,0|1,0,1]=4 782 B7R0.1 CNCCSCCF m_7__22986920__22320828 [0,2,0,0,0,0|2,0,0]=4 783 B7R0.1 CNCCSCCO m_7__22986920__102708 [0,2,0,0,0,0|2,0,0]=4 784 B7R0.1 CNCCSCOC m_7__22986920__6762 [0,2,0,0,0,0|0,1,0]=3 785 B7R0.1 CNCCSCSC m_7__22986920__10542644 [0,2,0,0,0,0|0,0,0]=2 786 B7R0.1 COCCCC=NO m_4__388124__9044572 [0,2,0,0,0,0|0,1,1]=4 787 B7R0.1 COCCCCSC m_62__10159084__876088 [0,2,0,0,0,0|1,0,0]=3 788 B7R0.1 COCCSCC#N m_7__6362310__5055 [0,2,0,0,0,0|0,1,1]=4 789 B7R0.1 COCCSCCF m_7__6362310__22320828 [0,2,0,0,0,0|1,1,0]=4 790 B7R0.1 COCCSCCN m_7__20871276__149891 [0,2,0,0,0,0|0,1,0]=3 791 B7R0.1 COCCSCCO m_7__6362310__102708 [0,2,0,0,0,0|1,1,0]=4 792 B7R0.1 COCCSCOC m_7__6362310__6762 [0,2,0,0,0,0|1,1,0]=4 793 B7R0.1 COCCSCSC m_7__6362310__10542644 [0,2,0,0,0,0|1,0,0]=3 794 B7R0.1 COCSCCCO m_7__10972294__6762 [0,2,0,0,0,0|1,0,0]=3 795 B7R0.1 CON=CCCSC m_4__461206__7831604 [0,2,0,0,0,0|0,0,2]=4 796 B7R0.1 CSCCCC=NO m_4__388124__10542472 [0,2,0,0,0,0|0,0,1]=3 797 B7R0.1 CSCCCCC#N m_62__875850__7206752 [0,2,0,0,0,0|0,0,1]=3 798 B7R0.1 CSCCCCCF m_62__9984632__876088 [0,2,0,0,0,0|1,0,0]=3 799 B7R0.1 CSCCCCCN m_34__20871474__7119628 [0,2,0,0,0,0|0,0,0]=2 800 B7R0.1 CSCCNCCN m_34__20871452__7119628 [0,2,0,0,0,0|0,0,0]=2 801 B7R0.1 CSCCOCCF m_7__22988070__5046 [0,2,0,0,0,0|1,0,0]=3 802 B7R0.1 CSCCOCCN m_34__20871476__7119628 [0,2,0,0,0,0|0,0,0]=2 803 B7R0.1 CSCCOCCO m_62__875850__8799516 [0,2,0,0,0,0|1,0,0]=3 804 B7R0.1 CSCCSCCN m_7__20871276__7912552 [0,2,0,0,0,0|0,0,0]=2 805 B7R0.1 CSCCSCCO m_7__128807__7912552 [0,2,0,0,0,0|1,0,0]=3 806 B7R0.1 CSCSCCCO m_7__10972294__10542644 [0,2,0,0,0,0|1,0,0]=3 807 B7R0.1 N#CCCSCC#N m_7__10953802__5055 [0,2,0,0,0,0|0,0,2]=4 808 B7R0.1 N#CCCSCCF m_7__10953802__22320828 [0,2,0,0,0,0|0,0,2]=4 809 B7R0.1 N#CCCSCCN m_7__20871276__5102 [0,2,0,0,0,0|0,0,2]=4 810 B7R0.1 N#CCCSCCO m_7__10953802__6166114 [0,2,0,0,0,0|0,0,2]=4 811 B7R0.1 N#CCSCCCN m_7__20871288__5055 [0,2,0,0,0,0|0,0,0]=2 812 B7R0.1 N#CCSCCCO m_7__10972294__5055 [0,2,0,0,0,0|1,0,0]=3 813 B7R0.1 NCCCSCCF m_7__20871288__22320828 [0,2,0,0,0,0|0,0,0]=2 814 B7R0.1 NCCCSCCO m_7__20871288__6166114 [0,2,0,0,0,0|0,0,0]=2 815 B7R0.1 NCCSCC=CCl m_7__20871276__5103 [0,2,0,0,0,0|1,0,1]=4 816 B7R0.1 NCCSCCCF m_7__20871276__16896928 [0,2,0,0,0,0|1,0,0]=3 817 B7R0.1 NCCSCCCO m_7__20871276__6354 [0,2,0,0,0,0|1,0,0]=3 818 B7R0.1 OCCCSCCF m_7__10972294__22320828 [0,2,0,0,0,0|1,0,0]=3 819 B7R0.1 OCCCSCCO m_7__10972294__102708 [0,2,0,0,0,0|1,0,0]=3 820 B7R0.1 OCCSCCCF m_7__128807__16896928 [0,2,0,0,0,0|1,0,0]=3 821 B5R1.3 CSC1CC1 m_7__22987858__5046 [1,0,0,1,0,0|0,0,0]=2 822 B7R1.1 CCN1CCCC1 m_2230__678722__22383854 [0,1,0,1,0,0|2,0,0]=4 823 B7R1.1 CNC1=NCCN1 m_58668__2550844__2679600 [0,1,0,1,0,0|1,0,1]=4 824 B7R1.1 CNC1CCCC1 m_207__134027__121596 [0,1,0,1,0,0|1,0,0]=3 825 B7R1.1 CSC1CC=CC1 m_62__875850__16736522 [0,1,0,1,0,0|1,0,1]=4 826 B7R1.1 CSC1CCCC1 m_62__875850__10178584 [0,1,0,1,0,0|1,0,0]=3 827 B7R1.1 CSC1CCOC1 m_62__875850__10903820 [0,1,0,1,0,0|1,0,0]=3 828 B7R1.1 CSC1CCSC1 m_7__15266840__5046 [0,1,0,1,0,0|1,0,0]=3 829 B7R1.1 CS[C@H]1CCNC1 m_7__22987620__5046 [0,1,0,1,0,0|0,0,0]=2 830 B7R1.2 CC1CCN(C1)C m_2230__6813990__2463448 [0,1,0,1,0,0|2,0,0]=4 831 B7R1.2 CN1CCC(=O)N1 m_2230__13421152__2463448 [0,1,0,1,0,0|1,0,1]=4 832 B7R1.2 CN1CC[C@@H](C1)F m_2230__10719192__2463448 [0,1,0,1,0,0|2,0,0]=4 833 B7R1.2 CN1CC[C@@H](C1)O m_2230__3351214__2463448 [0,1,0,1,0,0|2,0,0]=4 834 B7R1.2 CN1CC[C@H](C1)F m_2230__10719368__2463448 [0,1,0,1,0,0|2,0,0]=4 835 B7R1.2 CN1CC[C@H](C1)N m_269982__7368756__14064228 [0,1,0,1,0,0|1,0,0]=3 836 B7R1.3 CN1CC=CCC1 m_2230__8375936__2463448 [0,1,0,1,0,0|1,0,1]=4 837 B7R1.3 CN1CCCC=N1 m_2230__22595168__2463448 [0,1,0,1,0,0|1,0,1]=4 838 B7R1.3 CN1CCCCC1 m_2230__679042__2463448 [0,1,0,1,0,0|1,0,0]=3 839 B7R1.3 CN1CCNCC1 m_269982__7368754__14064228 [0,1,0,1,0,0|2,0,0]=4 840 B7R1.3 CN1CCOCC1 m_2230__665308__2463448 [0,1,0,1,0,0|2,0,0]=4 841 B7R1.3 CN1CCSCC1 m_2230__848268__2463448 [0,1,0,1,0,0|2,0,0]=4 842 B7R1.3 N=C1NCCCN1 m_264822__4904404__18981920 [0,1,0,1,0,0|1,0,1]=4 843 B7R1.4 CC1CCCN1C m_2230__6338494__2463448 [0,1,0,1,0,0|1,0,0]=3 844 B7R1.5 CCNC1CC1C m_270004__8294846__24715004 [0,1,0,1,0,0|2,0,0]=4 845 B7R1.5 CSCC1CC1C m_62__12216592__876088 [0,1,0,1,0,0|1,0,0]=3 846 B7R1.5 CSC[C@@H]1C[C@H]1C m_62__875850__23861442 [0,1,0,1,0,0|1,0,0]=3 847 B7R1.6 CCNC1COC1 m_269862__7865270__7931470 [0,1,0,1,0,0|1,1,0]=4 848 B7R1.6 CCNC1CSC1 m_270004__13270386__24715004 [0,1,0,1,0,0|1,0,0]=3 849 B7R1.6 CCSC1CCC1 m_7__10684076__5047 [0,1,0,1,0,0|1,0,0]=3 850 B7R1.6 CCSC1CNC1 m_7__22987816__5047 [0,1,0,1,0,0|2,0,0]=4 851 B7R1.6 CCSC1COC1 m_7__13420946__5047 [0,1,0,1,0,0|1,1,0]=4 852 B7R1.6 CCSC1CSC1 m_7__20064714__5047 [0,1,0,1,0,0|1,0,0]=3 853 B7R1.6 CNCC1COC1 m_207__134027__22332602 [0,1,0,1,0,0|0,1,0]=3 854 B7R1.6 CSCC1CCC1 m_62__6007776__876088 [0,1,0,1,0,0|1,0,0]=3 855 B7R1.6 CSCC1COC1 m_62__875850__16613884 [0,1,0,1,0,0|1,0,0]=3 856 B7R1.8 CCN1CC[C@H]1C m_270004__24224170__24715004 [0,1,0,1,0,0|2,0,0]=4 857 B7R1.8 CN1CCC1CO m_2230__13428546__2463448 [0,1,0,1,0,0|2,0,0]=4 858 B7R1.8 CSC1CCC1O m_7__22986908__5046 [0,1,0,1,0,0|1,0,0]=3 859 B7R1.15 CC1CN(C1C)C m_2230__10547152__2463448 [0,1,0,1,0,0|2,0,0]=4 860 B7R1.21 CNCC1(CC1)C m_207__134027__9439020 [0,1,0,1,0,0|2,0,0]=4 861 B7R1.21 CNCC1(CC1)F m_207__134027__9479524 [0,1,0,1,0,0|2,0,0]=4 862 B7R1.22 CN[C@@H](C)C1CC1 m_2230__22400112__2463448 [0,1,0,1,0,0|2,0,0]=4 863 B7R1.25 CNC1(CCC1)C m_2230__22404308__2463448 [0,1,0,1,0,0|2,0,0]=4 864 B7R1.25 CNC1(CSC1)C m_2230__22397754__2463448 [0,1,0,1,0,0|2,0,0]=4 865 B7R1.27 CNC1(CC1C)C m_2230__22397712__2463448 [0,1,0,1,0,0|2,0,0]=4 866 B7R1.7 CCCSC1CC1 m_7__22986886__16761930 [0,1,0,1,0,0|2,0,0]=4 867 B7R1.7 CCNCC1CC1 m_207__121480__2989440 [0,1,0,1,0,0|2,0,0]=4 868 B7R1.7 CCSCC1CC1 m_62__875846__7141822 [0,1,0,1,0,0|1,0,0]=3 869 B7R1.7 CCSCC1CS1 m_7__22987770__22787476 [0,1,0,1,0,0|1,0,0]=3 870 B7R1.7 COCSC1CC1 m_7__22987858__6762 [0,1,0,1,0,0|1,1,0]=4 871 B7R1.7 CSCCC1CC1 m_62__875850__9143162 [0,1,0,1,0,0|1,0,0]=3 872 B7R1.7 CSCSC1CC1 m_7__22987858__10542644 [0,1,0,1,0,0|1,0,0]=3 873 B7R1.7 FCCSC1CC1 m_7__22987858__22320828 [0,1,0,1,0,0|2,0,0]=4 874 B7R1.7 NCCSC1CC1 m_7__20871276__16761930 [0,1,0,1,0,0|1,0,0]=3 875 B7R1.7 OCCSC1CC1 m_7__22987858__102708 [0,1,0,1,0,0|2,0,0]=4 876 B7R1.12 CC1CC1C(=O)N m_22__58357__59041 [0,1,0,1,0,0|1,0,1]=4 877 B7R1.12 CC1CC1N(C)C m_2230__16770468__2463448 [0,1,0,1,0,0|2,0,0]=4 878 B7R1.12 C[C@H]1C[C@H]1C(=O)N m_22__58357__16716548 [0,1,0,1,0,0|1,0,1]=4 879 B7R1.18 CN(C)C1CCC1 m_2230__6008210__2463448 [0,1,0,1,0,0|2,0,0]=4 880 B7R1.18 CN(C)C1CSC1 m_2230__13465922__2463448 [0,1,0,1,0,0|2,0,0]=4 881 B7R1.18 CS(=O)C1CCC1 m_265282__10638442__4273530 [0,1,0,1,0,0|1,0,1]=4 882 B7R1.18 NC(=O)C1CCC1 m_22__58357__58987 [0,1,0,1,0,0|1,0,1]=4 883 B7R1.18 NC(=O)C1CCN1 m_240690__7368526__17805608 [0,1,0,1,0,0|2,0,0]=4 884 B7R1.18 NC(=O)C1CSC1 m_22__58357__11678504 [0,1,0,1,0,0|0,0,1]=3 885 B7R1.18 NC(=O)[C@H]1CCN1 m_270006__8381712__11616006 [0,1,0,1,0,0|2,0,0]=4 886 B7R1.20 CN(C)CC1CC1 m_2230__1000274__2463448 [0,1,0,1,0,0|2,0,0]=4 887 B7R1.20 CS(=O)CC1CC1 m_265282__10978854__4273530 [0,1,0,1,0,0|1,0,1]=4 888 B7R1.20 NC(=O)CC1CC1 m_22__58357__592954 [0,1,0,1,0,0|1,0,1]=4