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m_4__388124__10542472 [1,0,0,0,0,0|0,1,1]=3 76 B7R0.1 CSCCCCC#N m_62__875850__7206752 [1,0,0,0,0,0|1,0,1]=3 77 B7R0.1 CSCCCCCF m_62__9984632__876088 [1,0,0,0,0,0|1,0,1]=3 78 B7R0.1 CSCCCCCN m_34__20871474__7119628 [1,0,0,0,0,0|1,0,1]=3 79 B7R0.1 CSCCNCCN m_34__20871452__7119628 [1,0,0,0,0,0|2,0,1]=4 80 B7R0.1 CSCCOCCF m_7__22988070__5046 [1,0,0,0,0,0|2,0,1]=4 81 B7R0.1 CSCCOCCN m_34__20871476__7119628 [1,0,0,0,0,0|2,0,1]=4 82 B7R0.1 CSCCOCCO m_62__875850__8799516 [1,0,0,0,0,0|1,1,1]=4 83 B7R0.1 CSCCSCCN m_7__20871276__7912552 [1,0,0,0,0,0|2,0,1]=4 84 B7R0.1 CSCCSCCO m_7__128807__7912552 [1,0,0,0,0,0|1,1,1]=4 85 B7R0.1 CSCSCCCO m_7__10972294__10542644 [1,0,0,0,0,0|1,1,1]=4 86 B9R0.2 CSCCCCCC(=O)N m_22__58357__18053612 [0,1,0,0,0,0|1,1,1]=4 87 B9R0.2 CSCCCCNC(=N)N m_58668__5136690__2227896 [0,1,0,0,0,0|1,0,2]=4 88 B9R0.2 CSCCCCNC(=O)C m_270062__7618782__15585492 [0,1,0,0,0,0|0,1,2]=4 89 B9R0.2 CSCCCCNC(=O)N m_2554__5136682__788524 [0,1,0,0,0,0|0,1,2]=4 90 B9R0.2 CSCCCCNC(C)C 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CON=C1CCCSC1 m_4__461206__10543650 [0,0,0,1,0,0|2,0,1]=4 162 B9R1.8 CSCC1C=CCCC1 m_62__875850__14592770 [0,0,0,1,0,0|2,0,1]=4 163 B9R1.8 CSCC1CCCCC1 m_62__875850__5821482 [0,0,0,1,0,0|2,0,1]=4 164 B9R1.8 CSCC1CCCCO1 m_62__875850__524424 [0,0,0,1,0,0|1,1,1]=4 165 B9R1.8 CSCC1CCCOC1 m_62__875850__7425144 [0,0,0,1,0,0|3,0,0]=4 166 B9R1.8 CSCC1CCNCC1 m_7__22986844__5046 [0,0,0,1,0,0|1,0,2]=4 167 B9R1.8 CSCC1CCOCC1 m_62__875850__5128030 [0,0,0,1,0,0|2,0,1]=4 168 B9R1.8 CSC[C@@H]1CC=CCC1 m_62__875850__23045122 [0,0,0,1,0,0|2,0,1]=4 169 B9R1.8 CSC[C@@H]1CCCNC1 m_7__22987726__5046 [0,0,0,1,0,0|3,0,0]=4 170 B9R1.8 ON=CC1CCCSC1 m_4__388124__10118192 [0,0,0,1,0,0|2,1,0]=4 171 B9R1.12 CCNCC1CCSC1 m_207__121480__9438738 [0,0,0,1,0,0|1,0,2]=4 172 B9R1.12 CON=CC1CCSC1 m_4__461206__9438736 [0,0,0,1,0,0|2,0,1]=4 173 B9R1.12 CSCCC1CCCC1 m_62__875850__5819056 [0,0,0,1,0,0|2,0,1]=4 174 B9R1.12 CSCCC1CCCO1 m_62__875850__9194610 [0,0,0,1,0,0|1,1,1]=4 175 B9R1.12 CSCCC1CCOC1 m_62__875850__10689340 [0,0,0,1,0,0|2,0,1]=4 176 B9R1.14 CNC1CCCC1SC m_2230__10117192__2463448 [0,0,0,1,0,0|3,0,0]=4 177 B9R1.15 CSC1CCCNC1=O m_62__7348062__876088 [0,0,0,1,0,0|0,1,2]=4 178 B9R1.16 CSCCCC1CC1C m_62__17055834__876088 [0,0,0,1,0,0|2,0,1]=4 179 B9R1.17 C=C=CCSC1CSC1 m_7__20064714__22839656 [0,0,0,1,0,0|3,0,0]=4 180 B9R1.17 CSCCCC1CCC1 m_62__875850__12056162 [0,0,0,1,0,0|2,0,1]=4 181 B9R1.33 CSCC1CCCN1C m_2230__7345896__2463448 [0,0,0,1,0,0|3,0,0]=4 182 B9R1.33 CSCC1CCOC1C m_62__875850__12365544 [0,0,0,1,0,0|2,0,1]=4 183 B9R1.33 CSC[C@@H]1CCC[C@H]1C m_62__875850__13911862 [0,0,0,1,0,0|2,0,1]=4 184 B9R1.83 CSCCCCC1CC1 m_62__875850__13763132 [0,0,0,1,0,0|2,0,1]=4 185 B9R1.89 CSC1CCCCCC1 m_7__17653480__5046 [0,0,0,1,0,0|2,0,1]=4 186 B9R1.89 CSC1CCCNCC1 m_7__22988076__5046 [0,0,0,1,0,0|1,0,2]=4 187 B6R0.6 C#CCCCSC m_62__875850__17850946 [2,0,0,0,0,0|0,0,2]=4 188 B6R0.6 C=CCCCSC m_62__875850__16929012 [2,0,0,0,0,0|0,0,2]=4 189 B6R0.6 CCCCC=NO m_4__388124__7831600 [2,0,0,0,0,0|0,1,1]=4 190 B6R0.6 CCCCCSC m_62__5063390__876088 [2,0,0,0,0,0|0,0,1]=3 191 B6R0.6 CCCSCSC m_7__22986886__10542644 [2,0,0,0,0,0|1,0,1]=4 192 B6R0.6 CCNCCSC m_7__22986872__5046 [2,0,0,0,0,0|1,0,1]=4 193 B6R0.6 CCOCCSC m_62__204255__876088 [2,0,0,0,0,0|1,0,1]=4 194 B6R0.6 CCSCCSC m_7__8765656__5046 [2,0,0,0,0,0|1,0,1]=4 195 B6R0.6 COCCCSC m_62__9108898__876088 [2,0,0,0,0,0|1,0,1]=4 196 B6R0.6 CSCCC=NO m_4__388124__7831604 [2,0,0,0,0,0|0,1,1]=4 197 B6R0.6 CSCCCC#N m_62__875850__9273958 [2,0,0,0,0,0|0,0,2]=4 198 B6R0.6 CSCCCCF m_62__10157914__876088 [2,0,0,0,0,0|1,0,0]=3 199 B6R0.6 CSCCCCN m_34__20871448__7119628 [2,0,0,0,0,0|0,0,1]=3 200 B6R0.6 CSCCCCO m_7__22849690__5046 [2,0,0,0,0,0|0,1,0]=3 201 B6R0.6 CSCCCON m_7__22987730__5046 [2,0,0,0,0,0|1,0,1]=4 202 B6R0.6 CSCCCSC m_7__10890048__5046 [2,0,0,0,0,0|1,0,1]=4 203 B6R0.6 CSCSCCO m_7__128807__10542644 [2,0,0,0,0,0|1,1,0]=4 204 B8R0.7 CSCCCCC(=O)N m_22__58357__5454066 [1,1,0,0,0,0|0,1,1]=4 205 B10R0.74 CNC(=NCCCCSC)N m_264822__6669452__3499590 [0,2,0,0,0,0|1,0,1]=4 206 B10R0.74 CNC(=S)NCCCCSC m_8__5136650__83693 [0,2,0,0,0,0|0,0,2]=4 207 B10R0.1 C=C=CCCNC(C)CSC m_2230__22400632__17309924 [0,2,0,0,0,0|2,0,0]=4 208 B10R0.1 CSCC(C)NCCN=[N+]=[N-] m_2230__22400632__22376436 [0,2,0,0,0,0|2,0,0]=4 209 B10R0.91 C=C=CCCN(C)CCSC m_2230__7207368__17309924 [0,2,0,0,0,0|2,0,0]=4 210 B10R0.91 C=C=CCN(C)CCCSC m_2230__9749472__22993872 [0,2,0,0,0,0|2,0,0]=4 211 B10R0.91 C=C=CCNC(C)CCSC m_2230__22399620__22993872 [0,2,0,0,0,0|2,0,0]=4 212 B10R0.91 CSCCN(C)CCN=[N+]=[N-] m_2230__7207368__22376436 [0,2,0,0,0,0|2,0,0]=4 213 B10R0.91 CSCCNC(C)CN=[N+]=[N-] m_270004__11963796__24719148 [0,2,0,0,0,0|2,0,0]=4 214 B10R0.91 CSCCN[C@H](C)CN=[N+]=[N-] m_2230__22400752__681390 [0,2,0,0,0,0|2,0,0]=4 215 B10R0.71 C=C=CCCNCCSCC m_270004__16969572__8765926 [0,2,0,0,0,0|2,0,0]=4 216 B10R0.71 C=C=CCCSCCCSC m_7__10890048__17309916 [0,2,0,0,0,0|2,0,0]=4 217 B10R0.71 C=C=CCCSCCSCC m_7__8765656__17309916 [0,2,0,0,0,0|2,0,0]=4 218 B10R0.71 CCSCCNCCN=[N+]=[N-] m_270004__23845740__8765926 [0,2,0,0,0,0|2,0,0]=4 219 B8R1.2 CNC1CCCSC1 m_269862__7193148__8157488 [1,0,0,1,0,0|0,0,2]=4 220 B8R1.2 CSC1CCCCC1 m_7__27197__5046 [1,0,0,1,0,0|1,0,1]=4 221 B8R1.2 CSC1CCCNC1 m_7__22871154__5046 [1,0,0,1,0,0|0,0,2]=4 222 B8R1.2 CSC1CCCOC1 m_7__8601826__5046 [1,0,0,1,0,0|1,0,1]=4 223 B8R1.2 ON=C1CCCSC1 m_4__388124__10543650 [1,0,0,1,0,0|0,1,1]=4 224 B8R1.8 CNCC1CCSC1 m_207__134027__9438738 [1,0,0,1,0,0|0,0,2]=4 225 B8R1.8 CSCC1C=CCC1 m_62__875850__14322920 [1,0,0,1,0,0|1,0,1]=4 226 B8R1.8 CSCC1CCCC1 m_62__875850__8766438 [1,0,0,1,0,0|1,0,1]=4 227 B8R1.8 CSCC1CCCN1 m_7__22987948__5046 [1,0,0,1,0,0|1,0,1]=4 228 B8R1.8 CSCC1CCCO1 m_62__875850__9419582 [1,0,0,1,0,0|0,1,1]=4 229 B8R1.8 CSCC1CCOC1 m_62__875850__8794298 [1,0,0,1,0,0|1,0,1]=4 230 B8R1.8 ON=CC1CCSC1 m_4__388124__9438736 [1,0,0,1,0,0|0,1,1]=4 231 B8R1.10 CSCCC1CCC1 m_62__875850__12121634 [1,0,0,1,0,0|1,0,1]=4 232 B8R1.12 CSC1CCC1=NO m_4__388124__11402852 [1,0,0,1,0,0|0,1,1]=4 233 B8R1.13 CSC[C@@H]1CC[C@H]1O m_62__875850__23862058 [1,0,0,1,0,0|0,1,1]=4 234 B8R1.13 CSC[C@H]1CC[C@H]1C m_62__875850__21674492 [1,0,0,1,0,0|1,0,1]=4 235 B8R1.17 CC[C@H]1C[C@@H]1CSC m_62__13155122__876088 [1,0,0,1,0,0|1,0,1]=4 236 B8R1.36 CSCCCC1CC1 m_62__875850__12641598 [1,0,0,1,0,0|1,0,1]=4 237 B10R1.16 CSCC[C@H]1CN=C(N1)N m_276492__14269880__15570190 [0,1,0,1,0,0|1,0,1]=4 238 B10R1.21 C=C=CCSC1CCSC1 m_7__15266840__22839656 [0,1,0,1,0,0|2,0,0]=4 239 B10R1.17 CON=CC1CCCSC1 m_4__461206__10118192 [0,1,0,1,0,0|2,0,0]=4 240 B10R1.57 C=C=CCCSC1CSC1 m_7__20064714__17309916 [0,1,0,1,0,0|2,0,0]=4