C[N+]1C=CC(=CC=C2C=CC=C2)C=C1 154 Error in aromatic system CN(C)C=[Cl+] 52 Strange valence at Cl Brc1ccc(N(c2ccc(Br)cc2)c2ccc([Br+])cc2)cc1 137 Strange valence at Br Exception in thread "main" java.lang.NullPointerException at molinspiration.util.MolReader.e(Unknown Source) at molinspiration.util.MolReader.(Unknown Source) at molinspiration.util.MolReader.(Unknown Source) at molinspiration.mdk.mib.a(Unknown Source) at molinspiration.mdk.mib.main(Unknown Source) CN(C)C(=[F+])N(C)C 68 Strange valence at F CN1CCN(C)C1=[Cl+] 439 Strange valence at Cl Exception in thread "main" java.lang.NullPointerException at molinspiration.util.MolReader.e(Unknown Source) at molinspiration.util.MolReader.(Unknown Source) at molinspiration.util.MolReader.(Unknown Source) at molinspiration.mdk.mib.a(Unknown Source) at molinspiration.mdk.mib.main(Unknown Source) Exception in thread "main" java.lang.NullPointerException at molinspiration.util.MolReader.e(Unknown Source) at molinspiration.util.MolReader.(Unknown Source) at molinspiration.util.MolReader.(Unknown Source) at molinspiration.mdk.mib.a(Unknown Source) at molinspiration.mdk.mib.main(Unknown Source) C[C@@H]1[C@@H](C)[C@@](C)(O)C(=O)OCC2=CCN3(~O)CC[C@@H](OC(=O)[C@@]1(O)CO)[C@@H]23 6 SMILES ERROR '~' bond allowed only in SMARTS C/C=C(/C)C(=O)O[C@H]1CCN2(~O)CC=C(COC(=O)[C@](O)([C@H](C)O)C(C)(C)O)[C@H]12 328 SMILES ERROR '~' bond allowed only in SMARTS CC(C)[C@@](O)(C(=O)OCC1=CCN2(~O)CC[C@H](O)[C@@H]12)[C@H](C)O 329 SMILES ERROR '~' bond allowed only in SMARTS C=C1C/C(=C/C)C(=O)O[C@@H]2CCN3(~O)CC=C(COC(=O)[C@@]1(O)CO)[C@H]23 336 SMILES ERROR '~' bond allowed only in SMARTS CN1(~O)C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 342 SMILES ERROR '~' bond allowed only in SMARTS CC(C)[C@@](O)(C(=O)OCC1=CCN2(~O)CC[C@H](O)[C@@H]12)[C@@H](C)O 349 SMILES ERROR '~' bond allowed only in SMARTS C/C=C(/C)C(=O)O[C@@H]1CCN2(~O)CC=C(COC(=O)[C@](O)(C(C)C)[C@@H](C)O)[C@H]12 350 SMILES ERROR '~' bond allowed only in SMARTS CC(=O)O[C@@H]1CCN2(~O)CC=C(COC(=O)[C@](O)(C(C)C)[C@H](C)O)[C@H]12 479 SMILES ERROR '~' bond allowed only in SMARTS Exception in thread "main" java.lang.NullPointerException at molinspiration.util.MolReader.e(Unknown Source) at molinspiration.util.MolReader.(Unknown Source) at molinspiration.util.MolReader.(Unknown Source) at molinspiration.mdk.mib.a(Unknown Source) at molinspiration.mdk.mib.main(Unknown Source) Exception in thread "main" java.lang.NullPointerException at molinspiration.util.MolReader.e(Unknown Source) at molinspiration.util.MolReader.(Unknown Source) at molinspiration.util.MolReader.(Unknown Source) at molinspiration.mdk.mib.a(Unknown Source) at molinspiration.mdk.mib.main(Unknown Source) Exception in thread "main" java.lang.NullPointerException at molinspiration.util.MolReader.e(Unknown Source) at molinspiration.util.MolReader.(Unknown Source) at molinspiration.util.MolReader.(Unknown Source) at molinspiration.mdk.mib.a(Unknown Source) at molinspiration.mdk.mib.main(Unknown Source) Fn1c(Cl)cccc1=[Cl+] 296 Strange valence at Cl Exception in thread "main" java.lang.NullPointerException at molinspiration.util.MolReader.e(Unknown Source) at molinspiration.util.MolReader.(Unknown Source) at molinspiration.util.MolReader.(Unknown Source) at molinspiration.mdk.mib.a(Unknown Source) at molinspiration.mdk.mib.main(Unknown Source) Exception in thread "main" java.lang.NullPointerException at molinspiration.util.MolReader.e(Unknown Source) at molinspiration.util.MolReader.(Unknown Source) at molinspiration.util.MolReader.(Unknown Source) at molinspiration.mdk.mib.a(Unknown Source) at molinspiration.mdk.mib.main(Unknown Source) Exception in thread "main" java.lang.NullPointerException at molinspiration.util.MolReader.e(Unknown Source) at molinspiration.util.MolReader.(Unknown Source) at molinspiration.util.MolReader.(Unknown Source) at molinspiration.mdk.mib.a(Unknown Source) at molinspiration.mdk.mib.main(Unknown Source) CN(C)C=[Br+] 305 Strange valence at Br CC1(C)CC(OS(C)(=O)=O)CC(C)(C)[NH+]1[O-] 354 Strange valence at N [F+]=C(N1CCCC1)N1CCCC1 225 Strange valence at F Exception in thread "main" java.lang.NullPointerException at molinspiration.util.MolReader.e(Unknown Source) at molinspiration.util.MolReader.(Unknown Source) at molinspiration.util.MolReader.(Unknown Source) at molinspiration.mdk.mib.a(Unknown Source) at molinspiration.mdk.mib.main(Unknown Source) CC(C)c1cccc(C(C)C)c1-n1ccn(-c2c(C(C)C)cccc2C(C)C)c1=[F+] 299 Strange valence at F Exception in thread "main" java.lang.NullPointerException at molinspiration.util.MolReader.e(Unknown Source) at molinspiration.util.MolReader.(Unknown Source) at molinspiration.util.MolReader.(Unknown Source) at molinspiration.mdk.mib.a(Unknown Source) at molinspiration.mdk.mib.main(Unknown Source) Exception in thread "main" java.lang.NullPointerException at molinspiration.util.MolReader.e(Unknown Source) at molinspiration.util.MolReader.(Unknown Source) at molinspiration.util.MolReader.(Unknown Source) at molinspiration.mdk.mib.a(Unknown Source) at molinspiration.mdk.mib.main(Unknown Source) Exception in thread "main" java.lang.NullPointerException at molinspiration.util.MolReader.e(Unknown Source) at molinspiration.util.MolReader.(Unknown Source) at molinspiration.util.MolReader.(Unknown Source) at molinspiration.mdk.mib.a(Unknown Source) at molinspiration.mdk.mib.main(Unknown Source) Exception in thread "main" java.lang.NullPointerException at molinspiration.util.MolReader.e(Unknown Source) at molinspiration.util.MolReader.(Unknown Source) at molinspiration.util.MolReader.(Unknown Source) at molinspiration.mdk.mib.a(Unknown Source) at molinspiration.mdk.mib.main(Unknown Source) C/C=C1\C[C@@H](C)[C@](O)(CO)C(=O)OCC2=CCN3(~O)CC[C@@H](OC1=O)[C@@H]23 1 SMILES ERROR '~' bond allowed only in SMARTS CC(C)[C@H]1C(=O)O[C@@H]2CCN3(~O)CC=C(COC(=O)[C@](C)(O)[C@]1(C)O)[C@H]23 2 SMILES ERROR '~' bond allowed only in SMARTS C/N(~O)=N/CO[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O 27 SMILES ERROR '~' bond allowed only in SMARTS Exception in thread "main" java.lang.NullPointerException at molinspiration.util.MolReader.e(Unknown Source) at molinspiration.util.MolReader.(Unknown Source) at molinspiration.util.MolReader.(Unknown Source) at molinspiration.mdk.mib.a(Unknown Source) at molinspiration.mdk.mib.main(Unknown Source) Exception in thread "main" java.lang.NullPointerException at molinspiration.util.MolReader.e(Unknown Source) at molinspiration.util.MolReader.(Unknown Source) at molinspiration.util.MolReader.(Unknown Source) at molinspiration.mdk.mib.a(Unknown Source) at molinspiration.mdk.mib.main(Unknown Source) Exception in thread "main" java.lang.NullPointerException at molinspiration.util.MolReader.e(Unknown Source) at molinspiration.util.MolReader.(Unknown Source) at molinspiration.util.MolReader.(Unknown Source) at molinspiration.mdk.mib.a(Unknown Source) at molinspiration.mdk.mib.main(Unknown Source) CN1CCN(C)C1=[Cl+] 231 Strange valence at Cl Exception in thread "main" java.lang.NullPointerException at molinspiration.util.MolReader.e(Unknown Source) at molinspiration.util.MolReader.(Unknown Source) at molinspiration.util.MolReader.(Unknown Source) at molinspiration.mdk.mib.a(Unknown Source) at molinspiration.mdk.mib.main(Unknown Source) Exception in thread "main" java.lang.NullPointerException at molinspiration.util.MolReader.e(Unknown Source) at molinspiration.util.MolReader.(Unknown Source) at molinspiration.util.MolReader.(Unknown Source) at molinspiration.mdk.mib.a(Unknown Source) at molinspiration.mdk.mib.main(Unknown Source) Fn1c(Cl)cccc1=[Cl+] 191 Strange valence at Cl Exception in thread "main" java.lang.NullPointerException at molinspiration.util.MolReader.e(Unknown Source) at molinspiration.util.MolReader.(Unknown Source) at molinspiration.util.MolReader.(Unknown Source) at molinspiration.mdk.mib.a(Unknown Source) at molinspiration.mdk.mib.main(Unknown Source) Exception in thread "main" java.lang.NullPointerException at molinspiration.util.MolReader.e(Unknown Source) at molinspiration.util.MolReader.(Unknown Source) at molinspiration.util.MolReader.(Unknown Source) at molinspiration.mdk.mib.a(Unknown Source) at molinspiration.mdk.mib.main(Unknown Source) Exception in thread "main" java.lang.NullPointerException at molinspiration.util.MolReader.e(Unknown Source) at molinspiration.util.MolReader.(Unknown Source) at molinspiration.util.MolReader.(Unknown Source) at molinspiration.mdk.mib.a(Unknown Source) at molinspiration.mdk.mib.main(Unknown Source) [Br+]=CN1CCOCC1 125 Strange valence at Br Fc1ccc(C2=CC(=C3C=CC(=[F+])C=C3)OC(c3ccc(F)cc3)=C2)cc1 317 Strange valence at F CC(C)=CCC/C(C)=C/CC/C(C)=C/COP(=O)([NH2+][O-])OP(=O)([O-])[NH2+][O-] 266 Strange valence at N CN(C)C(=[F+])N(C)C 323 Strange valence at F Exception in thread "main" java.lang.NullPointerException at molinspiration.util.MolReader.e(Unknown Source) at molinspiration.util.MolReader.(Unknown Source) at molinspiration.util.MolReader.(Unknown Source) at molinspiration.mdk.mib.a(Unknown Source) at molinspiration.mdk.mib.main(Unknown Source) Exception in thread "main" java.lang.NullPointerException at molinspiration.util.MolReader.e(Unknown Source) at molinspiration.util.MolReader.(Unknown Source) at molinspiration.util.MolReader.(Unknown Source) at molinspiration.mdk.mib.a(Unknown Source) at molinspiration.mdk.mib.main(Unknown Source) Exception in thread "main" java.lang.NullPointerException at molinspiration.util.MolReader.e(Unknown Source) at molinspiration.util.MolReader.(Unknown Source) at molinspiration.util.MolReader.(Unknown Source) at molinspiration.mdk.mib.a(Unknown Source) at molinspiration.mdk.mib.main(Unknown Source) O=C1C=CC[C@@H]2[C@H]3CCCN4(~O)CCC[C@@H](CN12)[C@@H]34 292 SMILES ERROR '~' bond allowed only in SMARTS C/C=C1\C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CCN3(~O)CC[C@@H](OC1=O)[C@@H]23 483 SMILES ERROR '~' bond allowed only in SMARTS [Cl+]=C(N1CCCC1)N1CCCC1 136 Strange valence at Cl CN1CCN(C)C1=[Cl+] 349 Strange valence at Cl CN1CCN(C)C1=[Cl+] 350 Strange valence at Cl Exception in thread "main" java.lang.NullPointerException at molinspiration.util.MolReader.e(Unknown Source) at molinspiration.util.MolReader.(Unknown Source) at molinspiration.util.MolReader.(Unknown Source) at molinspiration.mdk.mib.a(Unknown Source) at molinspiration.mdk.mib.main(Unknown Source) CCC(F)(CC)OC(F)(F)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)[SH](=O)(O)O 80 Strange valence at S CCC(F)(CC)OC(F)(F)C(F)(F)[SH](=O)(O)O 81 Strange valence at S Exception in thread "main" java.lang.NullPointerException at molinspiration.util.MolReader.e(Unknown Source) at molinspiration.util.MolReader.(Unknown Source) at molinspiration.util.MolReader.(Unknown Source) at molinspiration.mdk.mib.a(Unknown Source) at molinspiration.mdk.mib.main(Unknown Source) Exception in thread "main" java.lang.NullPointerException at molinspiration.util.MolReader.e(Unknown Source) at molinspiration.util.MolReader.(Unknown Source) at molinspiration.util.MolReader.(Unknown Source) at molinspiration.mdk.mib.a(Unknown Source) at molinspiration.mdk.mib.main(Unknown Source) Exception in thread "main" java.lang.NullPointerException at molinspiration.util.MolReader.e(Unknown Source) at molinspiration.util.MolReader.(Unknown Source) at molinspiration.util.MolReader.(Unknown Source) at molinspiration.mdk.mib.a(Unknown Source) at molinspiration.mdk.mib.main(Unknown Source) CN(C)C(=[Cl+])N(C)C 137 Strange valence at Cl Exception in thread "main" java.lang.NullPointerException at molinspiration.util.MolReader.e(Unknown Source) at molinspiration.util.MolReader.(Unknown Source) at molinspiration.util.MolReader.(Unknown Source) at molinspiration.mdk.mib.a(Unknown Source) at molinspiration.mdk.mib.main(Unknown Source) CN(C)C(Cl)=[Cl+] 354 Strange valence at Cl