CN1C(=NC2=[N+](C)[C-](c3ccccc3)[C@H](c3ccccc3)N2C)[N+](C)=C(c2ccccc2)[C@@H]1c1ccccc1 81 Strange valence at N CC(C)n1c(=CC=C(O)C[C-](O)CC(=O)OC(C)(C)C)c(=C2C=CC(=[F+])C=C2)c2ccccc21 125 Strange valence at F C[N+]1=C2C[C](O)C[C-]1[C@@H]1O[C@H]21 160 Strange valence at N COc1ccc(/C=C/C(=O)c2c(O)cc(O[C@@H]3O[C@H](COC4=[O+][C-](C)[C@H](O)C(O)=C4O)C(O)=C(O)[C]3O)cc2OC)cc1O 460 Strange valence at O CC1=[O+][C-](C)CN2c3c(cc4c(N5C(=O)OC[C@@H]5C)noc4c3F)CC3(C(O)=NC(=O)N=C3O)[C@@H]12 170 Strange valence at O C[C-]1Cc2c([nH]c3ccccc23)C(c2c(F)cc(C=CC(=O)O)cc2F)=[N+]1CC(C)(C)F 311 Strange valence at N C[C-]1Cc2c([nH]c3ccccc23)C(c2c(F)cc(C=CC(=O)O)cc2F)=[N+]1CC(C)(C)F 314 Strange valence at N OC[C-]1[O+]=C(OC[C@H]2[O+]=C(OC3C(O)=C(O)C(O)=[O+][C@@H]3CO)C(O)=C(O)C2O[C@H]2O[C-](CO)[C@@H](O)[C@H](O)[C]2O)[C@@H](O)[C-](O)[C@@H]1O 424 Strange valence at O CC(C)n1c(=CC=C(O)C[C-](O)CC(=O)O)c(=C2C=CC(=[F+])C=C2)c2ccccc21 168 Strange valence at F O=C(O)C[C-](O)CC(O)=CC=c1c(C2CC2)nc2ccccc2c1=C1C=CC(=[F+])C=C1 315 Strange valence at F C[C@]1(F)C(n2ccc(O)nc2=O)=[O+][C-](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@H]1O 17 Strange valence at O N[C-]1CN(c2c(F)cc3c(=O)c(C(=O)O)cn([C@H]4CC4=[F+])c3c2Cl)CC12CC2 110 Strange valence at F CC[C](C)Nc1cc(C(O)=NC2CC3=[N+](c4ccc(C(=O)C5CC5)cn4)[C-](CC3)C2)c(C)cc1C(=N)O 136 Strange valence at N CCC(N)=C1[N]c2cccc(F)c2C(=O)N1c1ccccc1 424 Error in aromatic system C[C@@H]1O[C@@H](O[C@H]2C(Oc3cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc4c3)=[O+][C-](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@@H]2O)[C@H](O)C(O)=C1O 76 Strange valence at O O=c1c(OC2=[O+][C-](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 416 Strange valence at O C1=CC2=S=[C-][CH-]C2=S=1 148 Strange valence at C O=C1C[C-]([O+]=C2O[C@H](CO)[C@@H](O)[C](O)[C@H]2O)CO1 200 Strange valence at O CN1CCc2cc(C(=O)N3CC(=NC(O)=C4C=CC(=[Cl+])S4)CC3=C([O-])N3CCOCC3)ccc2C1 360 Strange valence at Cl Cc1ccc(S([O])([O-])N2CCCC2=C2C=CC(=[F+])C=C2)cc1 382 Strange valence at F C[C-]1[O+]=C(O[C@H]2[C](OC(=O)/C=C/c3ccc(O)c(O)c3)[C@@H](CO[C@@H]3O[C-](CO)[C@@H](O)C(O)=C3O)OC(=[O+]CCc3ccc(O)c(O)c3)[C@@H]2O)C(O)=C(O)[C@H]1O 456 Strange valence at O CC(C)(C)OC([O-])=[N+]1CC(=[F+])CC1=C([O-])O 54 Strange valence at F C[C-]1[O+]=C(OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C](O)C(O)=C2O)C(O)=C(O)[C@H]1O 183 Strange valence at O C[C-](O[C@H]1OCCN(Cc2nc(=O)n(P(=O)(O)O)[nH]2)C1=C1C=CC(=[F+])C=C1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 344 Strange valence at F O=C(CCCCCCC(O)=NO)Nc1ccc(C2=[O+][C-](CSc3nc(-c4ccccc4)c(-c4ccccc4)o3)C[C@@H](c3ccc(CO)cc3)O2)cc1 346 Strange valence at O C[C@]1(F)C(n2ccc(O)nc2=O)=[O+][C-](CO)[C@H]1O 465 Strange valence at O CC[C-]1OC(=O)[C@H](C)[C@@H](OC2=[O+][C-](C)[C@H](O)[C@](C)(OC)C2)[C@H](C)C(=[O+]C2=C(O)[C@@H](N(C)C)C[C@@H](C)O2)[C@](C)(O)C[C@@H](C)C(=O)C(C)=C(O)[C@]1(C)O 272 Strange valence at O COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C]1C[C-]2C(=C(C)O1)OC1=[N+]2CCO[C@@H]1OC 426 Error in aromatic system C[N+]1(C)[C-]2CC[C@H]1C[C@@H](OC(=[O+])C(O)c1ccccc1)C2 437 Strange valence at O CC(Cn1ccc(-c2ccc(C#N)c(Cl)c2)n1)=NC(O)=C1C=C(C(C)O)[N]N1 43 Error in aromatic system COc1cc(C2=[O+]C[C@@H]3[C@H]2CO[C@H]3c2cc(OC)c(OC3=[O+][C-](CO)[C@@H](O)[C-](O)[C@H]3O)c(OC)c2)cc(OC)c1OC1=[O+][C-](CO)[C@@H](O)[C](O)[C@H]1O 174 Strange valence at O CNCC(=O)OCc1cccnc1N(C)C(=O)OC(C)[n+]1cnn(C[C@@](O)(C(C)=C2[N]C(c3ccc(C#N)cc3)=CS2)c2cc(F)ccc2F)c1 232 Error in aromatic system NCC[C@H](O)C(=O)N[C]1CC(N)=C(OC2=[O+][C-](CN)[C@@H](O)C(O)=C2O)[C@H](O)[C@H]1OC1=[O+][C-](CO)[C@@H](O)C(N)=C1O 21 Strange valence at O COC(O)=N[C@](C(=O)N1CCC[C@H]1C(=N)O)(c1ccc(C2=[N+](c3ccc(C(C)(C)C)cc3)[C-](c3ccc([C@](N=C(O)OC)(C(=O)N4CCC[C@H]4C(=N)O)C(C)C)cc3)CC2)cc1)C(C)C 389 Strange valence at N CC(C)(C)C(=O)OC[C@H]1OC(=[Br+])[C@H](OC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C-]1OC(=O)C(C)(C)C 393 Strange valence at Br C[O+]=C1C=CO[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c(c4c3=C2[O-])[N-][C-]2C=C(C)C=C[N+]=52)N=C(O)C(C)=CC=CC(C)=C(O)[C@@H](C)[C@@H](O)[C@@H](C)C(=[O+]C(C)=O)[C@H]1C 48 Error in aromatic system N=c1ccn(C2=[O+][C-](CO)[C@@H](O)C2(F)F)c(O)n1 136 Strange valence at O N=c1nc(OCc2cc(Br)cs2)c2ncn(CCCCCCCCOC3=[O+][C-](CO)[C@@H](O)C(O)=C3O)c2[nH]1 150 Strange valence at O COc1ccc(-c2cc(=O)c3c(O)cc(O[C@@H]4O[C](COC5=[O+][C-](C)[C@H](O)C(O)=C5O)[C@@H](O)C(O)=C4O)cc3o2)cc1O 352 Strange valence at O C[C-]([O+]=C1OCCN(Cc2nc(O)n[nH]2)[C@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 134 Strange valence at O CN1[N]C(=C(O)N=C2CC3=[N+](C)[C-](CCC3)C2)c2ccccc21 285 Error in aromatic system CC(Nc1ncc(Cl)c(=Nc2cc(OC(C)C)n[nH]2)[nH]1)=C1C=CC(F)=C[N]1 398 Error in aromatic system CC1(N2CCC(N3C(=C4CCCNC4)[N]c4ccccc43)CC2)CCCCCCC1 403 Error in aromatic system NC(=O)C1=NC(=C(CCCC2CCCCC2)CC(O)=NO)O[N]1 450 Error in aromatic system C[N+]1=C2C[C](OC(=O)[C@H](CO)c3ccccc3)C[C-]1[C@H]1O[C@@H]21 28 Strange valence at N COC(O)=N[C@H](C(O)=NCCCCC(CO)=[N+](CC(C)C)[S-]([O])(=O)c1ccc(N)cc1)C(c1ccccc1)c1ccccc1 289 Strange valence at S CN1[N]C(=C(O)N=C2CC3=[N+](C)[C-](CCC3)C2)c2ccccc21 127 Error in aromatic system CC(=O)N1CCC2(CC1)c1cc(C#C[C-]3[O+]=C(CO)[C@@H](O)[C+](O)[C@@H]3O)ccc1-c1ccc(C#C[C@H]3O[C@H](CO)[C-](O)[C@H](O)[C@@H]3O)cc12 219 Strange valence at O CCC(N=C(O)OC(C)(C)C)=C1[N]c2cccc(F)c2C(=O)N1c1ccccc1 298 Error in aromatic system CC(C)(C)OC(=O)N1CC(=[F+])CC1=C=[N-] 357 Strange valence at F O=C1C(=C2CCC(=C3C=CC(=[Cl+])C=C3)CC2)C(O)=C([O-])c2ccccc21 450 Strange valence at Cl C[C-]1[O+]=C(OC[C]2O[C@@H](Oc3cc(O)c4c(c3)OC(c3ccc(O)c(O)c3)CC4=O)C(O)=C(O)[C@@H]2O)C(O)=C(O)[C@H]1O 33 Strange valence at O Cc1cc(=O)oc2cc(OC3=[O+][C-](CO)[C@@H](O)C(O)=C3O)ccc12 87 Strange valence at O CC(=C(O)N=C1C=CC(=[Cl+])C=C1)C1CCC(=C2C=C[N-]c3ccc(F)cc32)CC1 251 Strange valence at Cl COc1cc2c(cc1O)[C@@H]1Cc3ccc([O+]C)c(O)c3CC1(C)CC2 314 Strange valence at O CC(C)(C)C1=N[C-](C(C)(C)C2=[N+]=C(C(C)(C)C)CO2)OC1 381 Strange valence at N CC(C)(C)C1=N[C-](C(C)(C)C2=[N+]=C(C(C)(C)C)CO2)OC1 385 Strange valence at N Brc1ccc2c(c1)C[C-]1c3ccc(Br)cc3OC(c3ccccc3)=[N+]21 420 Error in aromatic system CCCCC(CC)COc1c2c(c(OCC(CC)CCCC)c3c1=S=C=C3)=S=[C-][CH-]2 39 Strange valence at C COc1ccc(-c2cc(=O)c3c(O)cc(OC4O[C@H](CO)[C@@H](O)[C@H](O)C4OC4=[O+][C-](C)[C@H](O)C(O)=C4O)cc3o2)cc1O 113 Strange valence at O CCCCCCCC/C=C/CCCCCCCC(=O)OC[C-]1[O+]=C(n2ccc(=N)nc2O)C(F)(F)[C@@H]1O 123 Strange valence at O C[N+]1=C2CC[C-]1C[C](OC(=O)c1c[nH]c3ccccc13)C2 393 Strange valence at N C[Si](C)(C)OC(CCC1=C([O-])N(c2ccc(F)cc2)[C@@H]1c1ccc(O[Si](C)(C)C)cc1)=C1C=CC(=[F+])C=C1 22 Strange valence at F CCC(C)(C)c1ccc(CC(C)CN2CC(C)=[O+][C-](C)C2)cc1 155 Strange valence at O NC[C-]1[O+]=C(O[C@@H]2[C@@H](N)C[C@@H](N)[C](OC3=[O+][C-](CO)[C@@H](O)C(N)=C3O)[C@H]2O)C(O)=C(O)[C@@H]1O 168 Strange valence at O CC(C)C1(C)[C@H]2CC[C@@H]1C[C@H](C(=[O+])C(CO)c1ccccc1)C2 268 Strange valence at O CC1(C)SC2=[N+]([C-]([O-])[C@H]2NC(=O)C(=NC(O)=[N+]2CCN=C2O)c2ccccc2)[C@H]1C(=O)[O-] 289 Strange valence at N CC[C@H]1OC(=O)C(C)=C(OC2=[O+][C-](C)[C@H](O)[C@](C)(OC)C2)[C@H](C)[C-](OC2=C(O)[C@@H](N(C)C)C[C@@H](C)O2)[C@](C)(O)CC(C)=C2N[C@@H](COCCOC)[O+]=C([C@H]2C)[C@]1(C)O 304 Strange valence at O CC[C]1OC(=O)[C@H](C)[C@@H](OC2=[O+][C-](C)[C@H](O)[C@](C)(OC)C2)[C@H](C)[C@@H](OC2=C(O)[C@@H](N(C)C)C[C@@H](C)O2)[C@](C)(O)C[C@@H](C)C(=O)C(C)=C(O)[C@]1(C)O 308 Strange valence at O C[C@H]1OC1=[P](=O)(O)O 369 Strange valence at P CC1(C)SC2=[N+]([C-]([O-])[C@H]2NC(=O)C(=NC(O)=[N+]2CCN(S(C)(=O)=O)C2=O)c2ccccc2)[C@H]1C(=O)O 381 Strange valence at N CC[C]1OC(=O)[C@H](C)[C@@H](OC2=[O+][C-](C)[C@H](O)[C@](C)(OC)C2)C(C)=C(OC2=C(O)[C@@H](N(C)C)C[C@@H](C)O2)[C@](C)(O)C[C@@H](C)/C(=N/O)[C@H](C)[C@@H](O)[C@]1(C)O 452 Strange valence at O CC1(N2CCC(N3C(=C4CCCNC4)[N]c4ccccc43)CC2)CCCCCCC1 19 Error in aromatic system CCC(C)(C)c1ccc(CC(C)CN2CC(C)=[O+][C-](C)C2)cc1 316 Strange valence at O CCOC(=O)OC[C-]1[O+]=C(Oc2nn(C(C)C)c(C)c2Cc2ccc(OC(C)C)cc2)[C@H](O)[C@@H](O)[C@@H]1O 336 Strange valence at O NC(Cc1ccccc1)=C1[N]C=CS1 343 Error in aromatic system CC(=C1[N]C=NC=C1F)[C@](O)(Cn1cncn1)c1ccc(F)cc1F 38 Error in aromatic system COc1cc([C@@H]2c3cc4c(cc3=C(OC3=[O+][C-]5CO[C-](C)O[C@H]5[C](O)[C@H]3O)[C@H]3COC(=O)[C@@H]32)OC[O+]=4)cc(OC)c1O 367 Strange valence at O Cn1cc(C2=C[N]N3C2=NC(=C2CCCNC2)C(Br)=C3N)cn1 389 Error in aromatic system N=c1nc(O)n([C-]2CSC(CO)=[O+]2)cc1F 455 Strange valence at O 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) N=c1ccn([C-]2CSC(CO)=[O+]2)c(O)n1 47 Strange valence at O CC(C)n1c(=CC=C([O-])C[C-](O)CC(=O)O)c(=C2C=CC(=[F+])C=C2)c2ccccc21 117 Strange valence at F Fn1c(Cl)cccc1=[Cl+] 50 Strange valence at Cl NC[C-]1[O+]=C(O[C@@H]2[C@@H](N)CC(N)=C(O)[C@H]2OC2=C(O)[C@H](O[C]3O[C@@H](CN)[C@@H](O)C(O)=C3N)[C@@H](CO)O2)C(N)=C(O)[C@@H]1O 281 Strange valence at O O=C(O)c1cc(F)c2nc([N+]3=C4CC[C-]3CC(OCc3c(-c5ccccc5OC(F)(F)F)noc3C3CC3)C4)sc2c1 384 Strange valence at N C[C@@H](O)[C@H](NC(O)=NC(CC(=N)O)=C1N=C([C@@H](N)CO)[N]O1)C(=O)O 398 Error in aromatic system CC(C)C1(C)[C@H]2CC[C@@H]1C[C@H](OC(=[O+])C(CO)c1ccccc1)C2 439 Strange valence at O CC(=NC1=NC(=C2C=CC=C(Cl)[N]2)NC(=N[C@H](C)C(F)(F)F)N1)C(F)(F)F 458 Error in aromatic system O=C1Cc2cc(C(=O)NC3CC4=[N+](S(=O)(=O)CC5CCN(CCCC(F)(F)F)CC5)[C-](CC4)C3)c(Cl)cc2N1 461 Strange valence at N