Cc1ccc(-c2cc(C(=O)O)nn2C2CC[SH](=O)(O)C2)cc1 318 Strange valence at S COc1ccc(-c2cc(C(=O)O)nn2C2CC[SH](=O)(O)C2)cc1 319 Strange valence at S Cc1nn(C2CC[SH](=O)(O)C2)c(C)c1CCC(=O)O 320 Strange valence at S Cc1nc2ccccc2n1CC1CCN([SH](=O)(O)c2ccc3c(c2)OCCO3)CC1 324 Strange valence at S COc1ccc(C(=O)Cc2c(CC[NH+](C)[O-])cc3c(c2OC)OCO3)c(C(=O)O)c1OC 204 Strange valence at N O=[N+](N=C1N[N]N=C1c1ccccc1)c1nonc1-c1ccccc1 289 Error in aromatic system CCN1C=CC(=CC=C2C=CC(=[Cl+])C=C2)C=C1 450 Strange valence at Cl C/C(=N\N=C(/C=C/c1ccccc1)/C=C/c1ccccc1)c1nnn(-c2nonc2N)c1C 126 SMILES ERROR - Inconsistent EZ stereo information CC1=C(N=C(O)[NH+]=C2C=CC(=[Br+])C=C2)S[N-]N1C 414 Strange valence at Br Cc1cc(OCC(=O)[NH+]([O-])c2ccc(-c3nc(-c4ccccc4)no3)cc2)ccc1Cl 322 Strange valence at N O=S(=O)(O)c1ccc2cc([SH](=O)([O-])[O-])ccc2c1 328 Strange valence at S Cc1ccc2c(c1)C(N(C)C1CCN(C)CC1)=CC(=C1C=CC(=[Cl+])C=C1)O2 35 Strange valence at Cl CC[N+](=O)C=C1S[N]N=C1c1ccccc1 30 Error in aromatic system CCc1ccc(C(=O)Cn2c(=[Br+])n(C)c3ccccc32)cc1 200 Strange valence at Br O=C(CN1C=CC(=C2C=CC(=[Cl+])C=C2)N=C1)c1ccc(F)cc1 247 Strange valence at Cl O=C(CN1C=CC(=C2C=CC(=[F+])C=C2)N=C1)c1ccccc1 277 Strange valence at F O=C(CN1C=CC(=C2C=CC(=[F+])C=C2)N=C1)c1ccc(F)cc1 278 Strange valence at F O=C(CN1C=CC(=C2C=CC(=[F+])C=C2)N=C1)c1ccc(Cl)cc1 279 Strange valence at F O=C(CN1C=CC(=C2C=CC(=[F+])C=C2)N=C1)c1ccc(Br)cc1 280 Strange valence at F O=C(CN1C=CC(=C2C=CC(=[F+])C=C2)N=C1)c1cccc([N+](=O)[O-])c1 281 Strange valence at F O=C(CN1C=CC(=C2C=CC(=[F+])C=C2)N=C1)c1ccc([N+](=O)[O-])cc1 282 Strange valence at F O=C(CN1C=CC(=C2C=CC(=[Cl+])C=C2)N=C1)c1ccc(Cl)cc1 283 Strange valence at Cl O=C(CN1C=CC(=C2C=CC(=[Cl+])C=C2)N=C1)c1ccc(Br)cc1 284 Strange valence at Cl O=C(CN1C=CC(=C2C=CC(=[Cl+])C=C2)N=C1)c1cccc([N+](=O)[O-])c1 285 Strange valence at Cl O=C(CN1C=CC(=C2C=CC(=[Cl+])C=C2)N=C1)c1ccc([N+](=O)[O-])cc1 286 Strange valence at Cl O=C(CN1C=CC(=C2C=CC(=[Br+])C=C2)N=C1)c1cccc([N+](=O)[O-])c1 293 Strange valence at Br O=C(CN1C=CC(=C2C=CC(=[Br+])C=C2)N=C1)c1ccc(F)cc1 294 Strange valence at Br O=C(CN1C=CC(=C2C=CC(=[F+])C=C2)N=C1)c1cccs1 318 Strange valence at F CN(C)C(Cl)=[Cl+] 119 Strange valence at Cl O=c1/c(=C/c2cccc(Br)c2)sc2nc(=C3C=CC(=[Cl+])C=C3)n(-c3ccc(Cl)cc3)n12 119 Strange valence at Cl COc1cc(/C=c2\sc3nc(=C4C=CC(=[Cl+])C=C4)n(-c4ccc(Cl)cc4)n3c2=O)cc(OC)c1OC 141 Strange valence at Cl Cc1ccsc1/C=c1\sc2nc(=C3C=CC(=[Cl+])C=C3)n(-c3ccc(Cl)cc3)n2c1=O 273 Strange valence at Cl N#C/C(=[NH+]/[O-])c1n[o+][n-]c1N 299 Strange valence at O O=C(CN1C=CC(=C2C=CC(=[F+])C=C2)N=C1)c1ccccc1[N+](=O)[O-] 281 Strange valence at F COc1ccc(C(=O)CN2C=CC(=C3C=CC(=[F+])C=C3)N=C2)cc1 282 Strange valence at F [Cl+]=c1nc(-c2ccccc2)n(-c2ccccc2)s1 318 Strange valence at Cl COc1ccc(N2C=CC(=C3C=CC(=[Cl+])C=C3)S2)cc1 329 Strange valence at Cl [F+]=C1C=CC(=C2C=CN3C=C(Cl)C=CC3=N2)C=C1 406 Strange valence at F COC(=O)N1CC=C(Cl)C2=C[S](C(F)(F)F)C=C21 182 Strange valence at S C[SH](=O)(O)C1=C(O)C(=O)N(CCCC(=O)O)C1c1ccccc1 308 Strange valence at S O=C(OCC/C1=C\C=C/C=C\C=C/1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 75 SMILES ERROR - Inconsistent EZ stereo information O=S(=O)(OCC/C1=C\C=C/C=C\C=C/1)c1ccc(Br)cc1 76 SMILES ERROR - Inconsistent EZ stereo information COC(=O)/C1=C/C2C=CC(\C=C/1)n1c(=O)n(-c3ccccc3)c(=O)n12 138 SMILES ERROR - Inconsistent EZ stereo information COC(=O)/C1=C/C2CC(C\C=C/1)C(C#N)(C#N)C2(C#N)C#N 158 SMILES ERROR - Inconsistent EZ stereo information CO/C1=C/CC2CC(\C=C/1)C(C#N)(C#N)C2(C#N)C#N 162 SMILES ERROR - Inconsistent EZ stereo information CCc1nc(SCC(=O)Nc2ccc([SH](N)(=O)O)cc2)n[nH]1 92 Strange valence at S C/C1=C\C2C=CC(\C=C/1)N(S(=O)(=O)Cl)C2=O 456 SMILES ERROR - Inconsistent EZ stereo information O=[n+]1cc2n(c3ccccc31)[N]N=C2 353 Error in aromatic system FC1=C(F)C(=C2C=C(c3ccccc3)C3=C(O2)C(=CC=CC=CC2=C4OC(c5c(F)c(F)c(F)c(F)c5F)=CC(c5ccccc5)=C4CCC2)CCC3)C(F)=C(F)C1=[F+] 172 Strange valence at F FC1=C(F)C(=C2C=C(c3ccccc3)C3=C(CCCC3)O2)C(F)=C(F)C1=[F+] 173 Strange valence at F C[n+]1nn2c(=O)c3c(nc2c1-c1ccccc1)N(Cc1ccccc1)[N]N=3 49 Error in aromatic system O=c1n(-c2ccccc2)sc(=[Cl+])n1Cc1ccccc1 194 Strange valence at Cl O[B-](O)=C1C=CC=C1 278 Strange valence at B O[B-](O)=C1C=CC=C1 279 Strange valence at B [Cl+]=C1C=CC(=C2N(c3ccccn3)c3ccccc3N2c2ccccn2)C=C1 306 Strange valence at Cl Cc1ccc2c(c1)OC[O+]2 419 Strange valence at O CC(C)(C1=C=[C+]C#C1)C1=C=C=C=[C-]1 284 Strange valence at C CCN1C=CC(=CC=C2C=CC(=[Cl+])C=C2)C=C1 426 Strange valence at Cl O[N-]C1=C2C(=[Cl+])C=CC=C2N=C1O 441 Strange valence at Cl O[N-]C1=C(O)N=C2C(=[Cl+])C=CC=C21 444 Strange valence at Cl O[N-]C1=C2C=CC(=[Cl+])C(Cl)=C2N=C1O 445 Strange valence at Cl O[N-]C1=C2C=CC(=[Cl+])C=C2N=C1O 447 Strange valence at Cl O[N-]C1=C(O)N=C2C=CC(=[Cl+])C=C21 449 Strange valence at Cl O[N-]C1=C(O)N=C2C(Cl)=CC(=[Cl+])C=C21 465 Strange valence at Cl O[N-]C1=C(O)N=C2C=CC(=[Br+])C=C21 466 Strange valence at Br COC(=O)N1CC=C(Cl)C2=C[S](C(F)(F)F)C=C21 7 Strange valence at S Error when processing molecule 315 [O-]/[NH+]=C/c1ccc(N2CCOCC2)c(F)c1 java.lang.RuntimeException: Bad EZ ref 2057 null at molinspiration.mdk.z.b(Unknown Source) at molinspiration.mdk.z.a(Unknown Source) at molinspiration.mdk.z.a(Unknown Source) at molinspiration.mdk.q.getSmiles(Unknown Source) at molinspiration.mdk.Molecule.getSmiles(Unknown Source) at molinspiration.mdk.mib.b(Unknown Source) at molinspiration.mdk.mib.a(Unknown Source) at molinspiration.mdk.mib.a(Unknown Source) at molinspiration.mdk.mib.main(Unknown Source) CN1C(=C2C=CC(=[Cl+])C=C2)N(C)c2ccccc21 201 Strange valence at Cl O=C(CCN[SH](=O)(O)c1ccc2c(c1)OCCO2)N1CCCCC1 235 Strange valence at S [Cl+]=C(N1CCCCC1)N1CCCCC1 61 Strange valence at Cl CN(C)C(=[F+])N(C)C 96 Strange valence at F CN(C)c1ccc(C2=CC(=C3C=CC(=[Br+])C=C3)OC(c3ccc(Br)cc3)=C2)cc1 444 Strange valence at Br CC1=N[N]c2ccc3c(c2=C1)=NO[N+]3=O 334 Error in aromatic system CCCCCCC1(O)CC(C)(C)[NH+]([O-])C(C)(C)C1 372 Strange valence at N COC(=O)C1=[N+]([O-])c2cc(Cl)c(Cl)cc2[NH+]([O-])C1=O 8 Strange valence at N CCOC(=O)C1=[N+]([O-])c2cc(C)ccc2[NH+]([O-])C1=O 464 Strange valence at N CS(=O)(=O)OC[C@@H]1O[C@H](O[C@@H]2OCC[C@H]3[C@H](OC(=O)c4ccc(OS(C)(=O)=O)cc4)[C@@H]4OC4(COS(C)(=O)=O)[C@@H]23)[C@@H](O[SH](C)(=O)O)[C@H](OS(C)(=O)=O)[C@H]1OS(C)(=O)=O 106 Strange valence at S CS(=O)(=O)OC[C@@H]1O[C@H](O[C@@H]2OC=C[C@H]3[C@H](OC(=O)c4ccc(OS(C)(=O)=O)cc4)[C@@H]4OC4(COS(C)(=O)=O)[C@@H]23)[C@@H](O[SH](C)(=O)O)[C@H](OS(C)(=O)=O)[C@H]1OS(C)(=O)=O 107 Strange valence at S CN1C(=C2C=CC(=[F+])C=C2)N(C)c2ccccc21 391 Strange valence at F COC(=O)N1CC=C(O)C2=C[S](C(F)(F)F)C=C21 458 Strange valence at S CC1=C=C(c2ccccc2-c2ccccc2C2=C=C(C)C(C)=[C-]2)[C+]=C1C 2 Strange valence at C C1=[C+]C(CC[c-]2c#cc3c2CCCC3)=C2CCCCC=12 35 Strange valence at C C1=[C+]C(CC[c-]2c#cc3c2CCCC3)=C2CCCCC=12 36 Strange valence at C CC1=C=C(c2ccccc2-c2ccccc2C2=C=C(C)C(C)=[C-]2)[C+]=C1C 147 Strange valence at C CC1=C=C(C(C)(C)C)[C-]=C1[Si](C)(C)C1=C=C(C(C)(C)C)[C+]=C1C 148 Strange valence at C C1=[C+]C(CC[c-]2c#cc3c2CCCC3)=C2CCCCC=12 199 Strange valence at C C[S](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O 434 Strange valence at S C[S](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O 436 Strange valence at S O=[SH](O)(Cl)Cc1ccc(F)cc1Cl 437 Strange valence at S CCOc1ccc2c(c1)[N+]([O-])=C(C(=O)OC)C(=O)[NH+]2[O-] 202 Strange valence at N CCn1nc(C)c([I]c2ccccc2)c1C 363 Strange valence at I Fc1ccc(C2=CC(=C3C=CC(=[F+])C=C3)OC(c3ccc(F)cc3)=C2)cc1 314 Strange valence at F CCn1c(=[P+]=c2n(C)c3ccccc3n2CC)n(C)c2ccccc21 394 Strange valence at P Cn1c2ccccc2c(=[Cl+])c2ccccc21 447 Strange valence at Cl COc1ccc2c(c1)c(=[Cl+])c1ccc(Cl)cc1n2C 448 Strange valence at Cl Cc1ccc(N(C(=[Cl+])C=CN(C)C)c2ccc(C)cc2)cc1 282 Strange valence at Cl Cc1cccc(N(C(=[Cl+])C=CN(C)C)c2ccccc2)c1 285 Strange valence at Cl COc1cc2[n+](=O)onc-2n2c1N=N[N]2 376 Error in aromatic system CC1=CC(c2ccc(Br)cc2)=CC(=C2C=CC(=[Br+])C=C2)O1 362 Strange valence at Br CCCCn1c(N=C(O)/C=C/c2cccc([N+](=O)[O-])c2)c([SH](=O)(O)c2ccccc2)c2nc3ccccc3nc21 372 Strange valence at S O=[N+]1ON=c2c1ccc1c2=CC=N[N]1 48 Error in aromatic system CN1CCN(C)C1=[Cl+] 372 Strange valence at Cl CN1CCN(C)C1=[F+] 373 Strange valence at F ClC1=CN2C=CC(=C3C=CC(=[Cl+])C=C3)N=C2C=C1 425 Strange valence at Cl ClC1=CN2C=CC(=C3C=CC(=[Br+])C=C3)N=C2C=C1 427 Strange valence at Br Cn1c(=[Cl+])sc2ccccc21 418 Strange valence at Cl CC1=CC(c2ccc(Cl)cc2)=CC(=C2C=CC(=[Cl+])C=C2)O1 450 Strange valence at Cl CCCCn1c(C)c2cccc3c2c1C=CC3=[Cl+] 469 Strange valence at Cl COC(=O)/C1=C(\O)COCCCC\C=C/1C(=O)OC 201 SMILES ERROR - Inconsistent EZ stereo information COC(=O)/C1=C(\N2CCCC2)CCCCCC\C=C/1C(=O)OC 203 SMILES ERROR - Inconsistent EZ stereo information COC(=O)/C1=C(\O)CCCC\C=C/1C(=O)OC 204 SMILES ERROR - Inconsistent EZ stereo information COC(=O)/C1=C(\N2CCCC2)CCCCC\C=C/1C(=O)OC 207 SMILES ERROR - Inconsistent EZ stereo information CS(=O)(=O)/C1=C(\O)CCCC\C(S(C)(=O)=O)=C/1 263 SMILES ERROR - Inconsistent EZ stereo information C1=C\C=C/C(/C2=C/C=C\C=C\C=C/2)=C\C=C/1 310 SMILES ERROR - Inconsistent EZ stereo information COc1ccc(/C2=C/C=C\C=C\C=C/2)cc1 311 SMILES ERROR - Inconsistent EZ stereo information CO/C1=C/C2C=CC(\C=C/1)N=C2O 314 SMILES ERROR - Inconsistent EZ stereo information C/C1=C/C(C)=C/C(C)=C/C(C)=C/1 317 SMILES ERROR - Inconsistent EZ stereo information CO/C1=N/C(C)=C\C(C)=C\C(C)=C/1 324 SMILES ERROR - Inconsistent EZ stereo information CO/C1=N/C(C)C/C(C)=C\C(C)=C/1 326 SMILES ERROR - Inconsistent EZ stereo information CO/C1=N/C(C)C/C(C)=C\C(C)=C/1 327 SMILES ERROR - Inconsistent EZ stereo information CO/C1=N/C(C)=C\C(C)=C\C(C)=C/1 330 SMILES ERROR - Inconsistent EZ stereo information CO/C1=N/C(C)=C/C=C\C=C/1C 365 SMILES ERROR - Inconsistent EZ stereo information CO/C1=N/C2(C)CC2/C=C\C=C/1C 397 SMILES ERROR - Inconsistent EZ stereo information CO/C1=N/C=C\c2ccccc2\C=C/1 398 SMILES ERROR - Inconsistent EZ stereo information CO/C1=N/c2ccccc2/C=C\C=C/1 403 SMILES ERROR - Inconsistent EZ stereo information C/C1=C/C2(C)CC2/C(C)=C/C(C)=C/1 491 SMILES ERROR - Inconsistent EZ stereo information CC(C)(C)C1=CC(=C2NC(=C3C=C(C(C)(C)C)OC(C(C)(C)C)=C3)C(=[Br+])C2=[Br+])C=C(C(C)(C)C)O1 6 Strange valence at Br CC(C)(C)C1=CC(=C2NC(=[Br+])C(c3cc(C(C)(C)C)[o+]c(C(C)(C)C)c3)=C2Br)C=C(C(C)(C)C)O1 18 Strange valence at Br CC(C)(C)C1=CC(=C2NC(=C3C=C(C(C)(C)C)SC(C(C)(C)C)=C3)C(=[Br+])C2=[Br+])C=C(C(C)(C)C)S1 22 Strange valence at Br CC(C)(C)C1=CC(=C2NC(=C3C=C(C(C)(C)C)SC(C(C)(C)C)=C3)C(=[Br+])C2=[Br+])C=C(C(C)(C)C)S1 25 Strange valence at Br Clc1ccc(C2=CC(=C3C=CC(=[Cl+])C=C3)SC(c3ccc(Cl)cc3)=C2)cc1 26 Strange valence at Cl N#C/C1=N\Nc2ccccc2OCCCOc2ccccc2/N=N/1 10 SMILES ERROR - Inconsistent EZ stereo information O=C1C(=N[N-]c2ccccc2)C([S+](=O)([O-])[O-])=Cc2cc(S(=O)(=O)[O-])cc([NH+]=c3nc(Cl)[nH]c(=[Cl+])[nH]3)c21 412 Strange valence at Cl N#CC(C#SN)=C1CCCCC1 452 Strange valence at S [BH-]1B2B3B4B3[B-]124 243 Strange valence at B CCC(C)(C)[Br+] 447 Strange valence at Br CC1=NN(c2ccccc2)C(=[Cl+])C1=CN(C)C 451 Strange valence at Cl Cn1cc(C(F)(F)F)ccc1=[Cl+] 132 Strange valence at Cl CCc1cc(=O)oc2c(CN3CCN([SH](=O)(O)N(C)C)CC3)c(O)c(Cl)cc12 400 Strange valence at S CN(C)[SH](=O)(O)N1CCN(Cc2c(O)ccc3c4c(c(=O)oc23)CCC4)CC1 401 Strange valence at S C[N+]1(CC(c2ccccn2)[SH](=O)(O)c2ccccc2)CCOCC1 113 Strange valence at S [Cl+]=C1C=CC(=C2C3=C(OC4=C2CCc2ccccc24)c2ccccc2CC3)C=C1 348 Strange valence at Cl [Cl+]=C1C=CC(=C2C3=C(OC4=C2CCc2ccccc24)c2ccccc2CC3)C=C1 393 Strange valence at Cl CN(C)C(Cl)=[Cl+] 356 Strange valence at Cl CN(C)C=[Cl+] 357 Strange valence at Cl CC1(C)CC(=O)CC(C)(C)[NH+]1[O-] 269 Strange valence at N Clc1ccc(C2=CC(=C3C=CC(=[Cl+])C=C3)OC=C2)cc1 393 Strange valence at Cl Fc1ccc(C2=CC(=C3C=CC(=[F+])C=C3)OC=C2)cc1 399 Strange valence at F COC(=O)/C1=C(C(=O)OC)\C=C/C=C\C=C/1 180 SMILES ERROR - Inconsistent EZ stereo information [C-]1=CC=CC1 80 Strange valence at C B1=BB=BC2[B+]C([B+]2)[B-]#[B-]B=B1 93 Strange valence at B NC1=N[N]c2ccccc2[N+]1=O 377 Error in aromatic system On1ccc(=[Cl+])cc1 61 Strange valence at Cl CC1(C)CC(=NO)CC(C)(C)[NH+]1[O-] 102 Strange valence at N O=C(c1ccccc1)[NH+]([O-])c1ccc(-c2nc(-c3ccccc3)no2)cc1 175 Strange valence at N Fc1cc(F)cc([S](F)F)c1 66 Strange valence at S CN(C)C=CC(=C1C=CC(=[Cl+])C=C1)N(C)C 8 Strange valence at Cl [Cl+]=C(N1CCCCC1)N1CCCCC1 421 Strange valence at Cl Cn1c2c(c(=O)n(C)c1=O)[N+](=O)C=N[N]2 402 Error in aromatic system Cc1cc(C(=C2C=CC(=[Cl+])C=C2)c2ccc(N(CCO)CCO)c(C)c2)ccc1N(CCO)CCO 4 Strange valence at Cl [F+]=C1C=CC(=C2C=CN3C=CC=CC3=N2)C=C1 182 Strange valence at F Cc1cc(=[Cl+])c2ccccc2n1C 233 Strange valence at Cl Cc1cc(=[Cl+])c2ccccc2n1C 285 Strange valence at Cl CN(C)C=CC(Cl)=C1C=CC(=[Cl+])C=C1 286 Strange valence at Cl [Cl+]=C1C=CC(=C2C=CN3C=CC=CC3=N2)C=C1 343 Strange valence at Cl [Br+]=C1C=CC(=C2C=CN3C=CC=CC3=N2)C=C1 344 Strange valence at Br COC(=O)/C1=C(\N2CCOCC2)CCCC\C=C/1C(=O)OC 263 SMILES ERROR - Inconsistent EZ stereo information CC1=[N+]c2ccccc2S1 170 Error in aromatic system [Cl+]=C(N1CCCC1)N1CCCC1 388 Strange valence at Cl CC[O+]CC 91 Strange valence at O C1=[C-]C#CC=1 102 Strange valence at C [c-]1ccccc1 238 Error in aromatic system C#[Si]CC(C)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 126 Strange valence at Si C#[Si]CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 127 Strange valence at Si c1ccc(/C2=C(c3ccccc3)\N=N/C(c3ccccc3)=C(c3ccccc3)\N=N/2)cc1 420 SMILES ERROR - Inconsistent EZ stereo information [C+]#CCCCCCCCC 222 Strange valence at C Clc1cc[c]s1 235 Error in aromatic system [c]1ccc2cccc3c4cccc5cccc(c1c23)c54 241 Error in aromatic system Clc1cc[c]c2ccccc12 242 Error in aromatic system [c]1ccc(-c2ccccc2)s1 245 Error in aromatic system Cc1c[c]sc1C 248 Error in aromatic system Cc1c[c]n(C)n1 249 Error in aromatic system Cn1[c]ccn1 250 Error in aromatic system Cc1cc[c]c2ccccc12 252 Error in aromatic system ClCC1=CC=CC=[N+]1 268 Error in aromatic system BrCC1=CC=CC=[N+]1 269 Error in aromatic system O=[N+]([O-])c1cc[c]s1 289 Error in aromatic system CC1=CC(c2ccccc2)=CC(=C2C(F)=C(F)C(=[F+])C(F)=C2F)O1 491 Strange valence at F [C]1=CC=CC=CC=C1 297 Error in aromatic system c1ccc2c(c1)[N]c1ccccc1S2 298 Error in aromatic system [c]1ccnc2ccccc12 338 Error in aromatic system CN1CCN(C)C1=[Cl+] 71 Strange valence at Cl Cc1cc(=[Cl+])n(-c2ccccc2)n1C 180 Strange valence at Cl O=C(O)/C1=C(C(=O)O)\C=C/C=C\C=C/1 122 SMILES ERROR - Inconsistent EZ stereo information CCCC[O+]CC 37 Strange valence at O CCCC[O+]C 40 Strange valence at O C[N+]1c2ccccc2Sc2ccccc21 159 Error in aromatic system C[N+]1C(C)(C)CCCC1(C)C 219 Strange valence at N CN(C)C=C1CCN(c2ccccc2Cl)C1=[Cl+] 243 Strange valence at Cl CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1cc(OC)ccc1OC)C(=O)CO2 359 Strange valence at S CCc1ccccc1N=C(O)CN1C(=O)COc2ccc([SH](=O)(O)CC)cc21 360 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(=O)Nc1ccc(Cl)cc1)C(=O)CO2 361 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1cc(C)ccc1C)C(=O)CO2 362 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1ccccc1C(=O)OC)C(=O)CO2 388 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=NCc1ccc(C)cc1)C(=O)CO2 389 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1cc(C(F)(F)F)ccc1Cl)C(=O)CO2 417 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(=O)Nc1ccc(C(C)C)cc1)C(=O)CO2 418 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(=O)Nc1ccc(OC)cc1)C(=O)CO2 446 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(=O)Nc1ccc(F)cc1)C(=O)CO2 447 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1cccc(C(F)(F)F)c1)C(=O)CO2 470 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1ccc(OC)c(Cl)c1)C(=O)CO2 471 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1ccccc1C)C(=O)CO2 472 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=NC1CCCCC1)C(=O)CO2 494 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(=O)Nc1ccc(N(C)C)cc1)C(=O)CO2 495 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1cccc(C)c1)C(=O)CO2 496 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1ccc(Br)cc1F)C(=O)CO2 497 Strange valence at S CCC(=O)O[SH](C)(=O)OCc1ccccc1 458 Strange valence at S COc1ccc([SH](=O)(O)NCc2ccncc2)cc1OC 139 Strange valence at S CN1C=CC(=C2C=CC([N+](=O)[O-])=CC2=[F+])C=C1 451 Strange valence at F Clc1ccc(C2=CC(=C3C=CC(=[Cl+])C=C3)OC(c3ccccc3)=C2c2ccccc2)cc1 364 Strange valence at Cl Brc1ccc(C2=CC(c3ccccc3)=CC(=C3C=CC(=[Br+])C=C3)O2)cc1 375 Strange valence at Br Clc1ccc(C2=CC(=C3C=CC(=[Cl+])C=C3)OC(c3ccc(Cl)cc3)=C2)cc1 417 Strange valence at Cl Clc1ccc(C2=NC(=C3C=CC(=[Cl+])C=C3)OC(c3ccc(Cl)cc3)=N2)cc1 432 Strange valence at Cl C=CCNC([S-])=C(C([O-])=C1C=CC(=[F+])C=C1)[n+]1cccc(C)c1 387 Strange valence at F Clc1ccc(C2=CC=CC(=C3C=CC(=[Cl+])C=C3)O2)cc1 306 Strange valence at Cl Brc1ccc(C2=CC=CC(=C3C=CC(=[Br+])C=C3)O2)cc1 307 Strange valence at Br Ic1ccc(C2=CC=CC(=C3C=CC(=[I+])C=C3)O2)cc1 308 Strange valence at I CC1=CC(c2ccc(Br)cc2)=CC(=C2C=CC(=[Br+])C=C2)O1 338 Strange valence at Br OCCN1C=CC(=C(O)N=NC=C2C=CC(=[Br+])C=C2)C=C1 430 Strange valence at Br O=C(CN1C=CC(=C(O)N=NC=C2C=CC(=[Br+])C=C2)C=C1)c1ccccc1 431 Strange valence at Br CN1C=CC(=C(O)N=NC=C2C=CC(=[Br+])C=C2)C=C1 442 Strange valence at Br OC(N=NC=C1C=CC(=[Br+])C=C1)=C1C=CN(Cc2ccccc2)C=C1 443 Strange valence at Br CN(C)C(=[Cl+])N(C)C 86 Strange valence at Cl CC1CCC(C(C)C)C(OC(=O)CN2C(=C3C=CC(=[Cl+])C=C3)N(C)c3ccccc32)C1 18 Strange valence at Cl CC1CCC(C(C)C)C(OC(=O)CN2C(=C3C=CC(=[F+])C=C3)N(C)c3ccccc32)C1 19 Strange valence at F S=C1C[S](c2ccccc2)N=C1[S-] 378 Strange valence at S CC1CCC(C(C)C)C(OC(=O)CN2C(=C3C=CC(=[Br+])C=C3)N(C)c3ccccc32)C1 100 Strange valence at Br Clc1ccc(C2=CC(c3ccccc3)=CC(=C3C=CC(=[Cl+])C=C3)O2)cc1 9 Strange valence at Cl Brc1ccc(C2=CC(c3ccccc3)=CC(=C3C=CC(=[Br+])C=C3)O2)cc1 10 Strange valence at Br CC1=c2c(ccc3c2=NO[N+]3=O)[N]N=C1 446 Error in aromatic system COC(=O)Cc1ccn(N)c(=[F+])c1F 51 Strange valence at F CO/C1=C/C=C\C=C\C=C/1 336 SMILES ERROR - Inconsistent EZ stereo information C/C1=C(/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])\C=C/C=C\C=C/1 381 SMILES ERROR - Inconsistent EZ stereo information O=C(OCC/C1=C\C=C/C=C\C=C/1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 383 SMILES ERROR - Inconsistent EZ stereo information O=C(OC/C1=C/C=C\C=C\C=C/1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 386 SMILES ERROR - Inconsistent EZ stereo information O=[N+]([O-])c1ccc(NN=C/C2=C/C=C\C=C\C=C/2)c([N+](=O)[O-])c1 390 SMILES ERROR - Inconsistent EZ stereo information C=CCn1c(=[Cl+])n(CC(=O)c2ccc(C)cc2)c2ccccc21 20 Strange valence at Cl COc1ccc(C(=O)CN2C=CC(=C3C=CC(=[Cl+])C=C3)N=C2)cc1 364 Strange valence at Cl COc1ccc(C(=O)CN2C=CC(=C3C=CC(=[Br+])C=C3)N=C2)cc1 366 Strange valence at Br O=C(CN1C=CC(=C2C=CC(=[F+])C=C2)N=C1)c1cccc2ccccc12 417 Strange valence at F O=C(CN1C=CC(=C2C=CC(=[Br+])C=C2)N=C1)c1cccc2ccccc12 419 Strange valence at Br O=C(CN1C=CC(=C2C=CC(=[Br+])C=C2)N=C1)c1ccc2ccccc2c1 420 Strange valence at Br [CH2+]C1=[C-]CCC1 50 Strange valence at C C[S](C)Br 148 Strange valence at S C[S](C)Cl 149 Strange valence at S CCn1c(=[I+])ccc2cc(OC)ccc21 385 Strange valence at I COC(=O)N1CC=C(O)C2=C[S](C(F)(F)F)C=C21 473 Strange valence at S C[Si](C)=C1C=CC(=[O+][C-]2C=CC(=[Si](C)C)C=C2)C=C1 309 Strange valence at O CN(C)C=[Cl+] 98 Strange valence at Cl Nc1cc(Cl)c(S(=O)[O-])cc1S(=O)#[O+] 165 Strange valence at S C[SH]=C([N-][C-]=[N-])[SH+]C 389 Strange valence at C COC(=O)/C1=C(\O)c2ccccc2CC\C(C(=O)OC)=C/1 444 SMILES ERROR - Inconsistent EZ stereo information O=C(O)/C1=C/C=C\C=C\C=C/1 242 SMILES ERROR - Inconsistent EZ stereo information CO[S](NC(=NCCS)NC[C@H](O)c1ccc(O)cc1)OC 96 Strange valence at S O=C1/C2=N/CCC([N+](=O)[O-])([N+](=O)[O-])CC\N=C/2c2ccccc21 203 SMILES ERROR - Inconsistent EZ stereo information Cc1ccc([SH](=O)(O)NC(=N)O)cc1 469 Strange valence at S Fn1c(Cl)cccc1=[Cl+] 336 Strange valence at Cl Cc1cc(C)[n+](C2=[NH+][N]C(=S)S2)c(C)c1 155 Error in aromatic system Cc1cc(-c2ccccc2)cc(C)[n+]1C1=[NH+][N]C(=S)S1 156 Error in aromatic system S=C1[N][NH+]=C([n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)S1 157 Error in aromatic system Cc1cc(-c2ccccc2)[n+](C2=[NH+][N]C(=S)S2)c(-c2ccccc2)c1 158 Error in aromatic system Cc1c(C)c(C)[n+](C2=[NH+][N]C(=S)S2)c(C)c1C 159 Error in aromatic system CCOc1ccc(NC(=O)CN2C(=O)COc3ccc([SH](=O)(O)CC)cc32)cc1 21 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=NCc1ccco1)C(=O)CO2 22 Strange valence at S CCOc1ccccc1N=C(O)CN1C(=O)COc2ccc([SH](=O)(O)CC)cc21 23 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=NCc1ccccc1Cl)C(=O)CO2 48 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(=O)N1CCCc3ccccc31)C(=O)CO2 49 Strange valence at S CCOC(=O)c1ccccc1N=C(O)CN1C(=O)COc2ccc([SH](=O)(O)CC)cc21 50 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1c(C)cc(C)cc1C)C(=O)CO2 51 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=NCCc1ccc(OC)c(OC)c1)C(=O)CO2 73 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1cccc(OC)c1)C(=O)CO2 74 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1cc(Cl)ccc1C)C(=O)CO2 75 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1ccc(C)cc1C)C(=O)CO2 76 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1ccccc1Cl)C(=O)CO2 98 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(=O)Nc1ccc(C)cc1)C(=O)CO2 99 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1ccc(C)cc1Cl)C(=O)CO2 100 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1c(C)cccc1C)C(=O)CO2 101 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1ccc(OC)cc1OC)C(=O)CO2 124 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1ccc(C)c(Cl)c1)C(=O)CO2 125 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1ccc(F)cc1F)C(=O)CO2 126 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1ccccc1F)C(=O)CO2 127 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1ccccc1C(F)(F)F)C(=O)CO2 150 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1ccccc1OC)C(=O)CO2 151 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(=O)N(C)c1ccccc1)C(=O)CO2 152 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1ccc(Cl)cc1F)C(=O)CO2 153 Strange valence at S CCOC(=O)c1ccc(NC(=O)CN2C(=O)COc3ccc([SH](=O)(O)CC)cc32)cc1 176 Strange valence at S CCN(C(=O)CN1C(=O)COc2ccc([SH](=O)(O)CC)cc21)c1cccc(C)c1 177 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(=O)Nc1ccc(Br)cc1)C(=O)CO2 178 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(=O)N=c1cc(C)o[nH]1)C(=O)CO2 200 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(=O)N1CCN(c3ccccc3OC)CC1)C(=O)CO2 201 Strange valence at S CCc1cccc(N=C(O)CN2C(=O)COc3ccc([SH](=O)(O)CC)cc32)c1 202 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1ccc(F)c(Cl)c1)C(=O)CO2 203 Strange valence at S CCN(C(=O)CN1C(=O)COc2ccc([SH](=O)(O)CC)cc21)c1ccccc1 228 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1cc(OC)cc(OC)c1)C(=O)CO2 229 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=NCCC1=CCCCC1)C(=O)CO2 253 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=NC1CCCC1)C(=O)CO2 254 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1cccc(SC)c1)C(=O)CO2 255 Strange valence at S CCc1cccc(C)c1N=C(O)CN1C(=O)COc2ccc([SH](=O)(O)CC)cc21 256 Strange valence at S CCCCc1ccc(NC(=O)CN2C(=O)COc3ccc([SH](=O)(O)CC)cc32)cc1 266 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(=O)N(C)c1cccc(Cl)c1)C(=O)CO2 267 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1cc(Cl)c(OC)cc1OC)C(=O)CO2 283 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1cccc(Cl)c1C)C(=O)CO2 284 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(=O)Nc1ccc(Oc3ccccc3)cc1)C(=O)CO2 285 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=NCc1ccc(F)cc1)C(=O)CO2 298 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=NC(C)CCc1ccccc1)C(=O)CO2 299 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1ccc(F)c(F)c1)C(=O)CO2 300 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1ccc(OC)c(F)c1)C(=O)CO2 301 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1cccc(Br)c1)C(=O)CO2 311 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1cc(F)ccc1F)C(=O)CO2 312 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1ccc(Cl)c(Cl)c1)C(=O)CO2 313 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1ccc(F)cc1Cl)C(=O)CO2 314 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(=O)N1CCOc3ccc(C)cc31)C(=O)CO2 328 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=NCCCc1ccccc1)C(=O)CO2 329 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1cc(F)ccc1Cl)C(=O)CO2 330 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(=O)Nc1ccc(C(F)(F)F)cc1)C(=O)CO2 331 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=NCc1ccc(OC)cc1)C(=O)CO2 343 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=NCc1ccc(Cl)cc1)C(=O)CO2 344 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(=O)Nc1ccc(C(C)=O)cc1)C(=O)CO2 357 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=NCc1cccc(OC)c1OC)C(=O)CO2 358 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=NCc1ccc(F)cc1Cl)C(=O)CO2 359 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(=O)N1CCN(c3ccc(F)cc3)CC1)C(=O)CO2 373 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1cccc(F)c1)C(=O)CO2 374 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(=O)Nc1ccc(C(=O)OC)cc1)C(=O)CO2 389 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(=O)N1CCN(c3ccccc3F)CC1)C(=O)CO2 390 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=NCc1ccc3c(c1)OCO3)C(=O)CO2 406 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1cccc(C)c1C)C(=O)CO2 407 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(=O)N(C)c1cccc(C)c1)C(=O)CO2 423 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1ccc3c(c1)OCCO3)C(=O)CO2 424 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(=O)N1CCN(c3ccc(OC)cc3)CC1)C(=O)CO2 440 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1cc(C)ccc1OC)C(=O)CO2 441 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1cc(OC)c(OC)c(OC)c1)C(=O)CO2 458 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(=O)N1CCc3ccccc31)C(=O)CO2 459 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1cccc(C(C)C)c1)C(=O)CO2 478 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1cccc(C#N)c1)C(=O)CO2 479 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=NCc1ccc(OC)c(OC)c1)C(=O)CO2 493 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(=O)Nc1ccc(F)cc1C)C(=O)CO2 494 Strange valence at S COC(=O)C1=CN(C)C=CC1=C1C=CC(=[F+])C=C1 40 Strange valence at F CN1CCN(C)C1=[F+] 54 Strange valence at F CN1CCN(C)C1=[F+] 84 Strange valence at F CN1CCN(C)C1=[F+] 139 Strange valence at F CN1CCN(C)C1=[F+] 178 Strange valence at F CN1C(=C2C=CC(=[F+])C=C2)N(C)c2ccccc21 280 Strange valence at F CC(C)c1cccc(C(C)C)c1N1[C-]=[N+](c2c(C(C)C)cccc2C(C)C)CC1 258 Strange valence at N [Cl+]=C(N1CCCC1)N1CCCC1 396 Strange valence at Cl [Cl+]=C(N1CCCC1)N1CCCC1 489 Strange valence at Cl CN1CCN(C)C1=[Cl+] 334 Strange valence at Cl O=C([NH2+][O-])c1cccnc1 357 Strange valence at N CCCS(=O)(=O)C1=C([n+]2cc(C)cc(C)c2)C(=C2C=CC(=[F+])C=C2)OC1=S(=O)([O-])CCC 200 Strange valence at F c1ccc(-c2nn(-c3ccccc3)[n+](C3=N[N]N=N3)n2)cc1 97 Error in aromatic system Cc1ccc(-n2nc(-c3ccccc3)n[n+]2C2=N[N]N=N2)cc1 99 Error in aromatic system COc1ccc(-c2nn(-c3ccccc3)[n+](C3=N[N]N=N3)n2)cc1OC 100 Error in aromatic system CC1=C(C(C)(C)C)[S](O[SiH](C)C)C(=N)N1 71 Strange valence at S C[S](CC(=O)O)C(=O)Nc1ccc(F)cc1 309 Strange valence at S Cc1cccc(N=C(O)[S](C)CC(=O)O)c1C 311 Strange valence at S C[Si-](C)(=C1C#Cc2ccccc21)[C+]1C#Cc2ccccc21 92 Strange valence at Si C[Si-](C)(C1=C2CCCCC2=C=[C+]1)=C1C#CC2=C1CCCC2 94 Strange valence at C C1=C=[C+]C(C(c2ccccc2)(c2ccccc2)c2c3cc[cH-]cc-3c3ccccc23)=C=1 247 Strange valence at C [C-]1=CC=CC1 109 Strange valence at C [N-]=N[N]c1ccc(C(O)=NCCSSCCC(=O)ON2C(=O)CC(S(=O)#[O+])C2=O)c(O)c1 328 Strange valence at S CC1N=C[S](C(C)C)C(C)S1 332 Strange valence at S CC(=O)CN1C(=C2C=CC(=[F+])C=C2)N(C)c2ccccc21 65 Strange valence at F COc1ccc(C2(O)CC(=C3C=CC(=[F+])C=C3)N3CCCCCN32)cc1 81 Strange valence at F OC1(c2ccc(Br)cc2)CC(=C2C=CC(=[F+])C=C2)N2CCCCCN21 83 Strange valence at F COc1ccc(C2(O)CC(=C3C=CC(=[Br+])C=C3)N3CCCCCN32)cc1 86 Strange valence at Br Cc1ccc(C(=O)CN2C=CC(=C3C=CC(=[Cl+])C=C3)N=C2)cc1 128 Strange valence at Cl CCOC(=O)c1sc(N2C(=O)c3cc([NH2+][O-])cc4cc([N+](=O)[O-])cc(c34)C2=O)c(C#N)c1C 365 Strange valence at N CC1(C)C2=CC(=c3ccc(=C4C=CC(=[Cl+])C=C4)o3)C=C(c3ccccc3)N2c2ccccc21 291 Strange valence at Cl CC1(C)C2=CC(=c3ccc(=C4C=CC(=[Br+])C=C4)o3)C=C(c3ccccc3)N2c2ccccc21 298 Strange valence at Br N=c1nc(SCc2ccccc2)c2c([nH]1)=C[N+](=O)[N]N=2 51 Error in aromatic system O[B-](O)=C1C=CC=C1 210 Strange valence at B [BH2-][N+](C)(C)C 399 Strange valence at B FC1=C(F)C(=C2C=C(c3ccccc3)C=C(c3c(F)c(F)c(F)c(F)c3F)O2)C(F)=C(F)C1=[F+] 418 Strange valence at F CCN(CC)CCCN[SH](N)(=O)Cc1ccccc1 35 Strange valence at S O=C(C[NH+]1C=CC=C([N+](=O)[O-])C1=[Cl+])[N-]c1ccc(Br)cc1 351 Strange valence at Cl COC(=O)C1=[N+]([O-])c2cc(OC)ccc2[NH+]([O-])C1=O 101 Strange valence at N CS(=O)(=O)OC[C@@H]1O[C@H](O[C@@H]2OCC[C@H]3[C@H](OS(C)(=O)=O)[C@@H]4OC4(COS(C)(=O)=O)[C@@H]23)[C@@H](O[SH](C)(=O)O)[C@H](OS(C)(=O)=O)[C@H]1OS(C)(=O)=O 361 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1c(C)cccc1Cl)C(=O)CO2 10 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(=O)Nc1ccc(Br)cc1C)C(=O)CO2 11 Strange valence at S CC1([NH2+][O-])CCCCC1=O 248 Strange valence at N N=c1[nH]nnn1NCC1=[O+]C(=C2C=CC(=[Cl+])C=C2)C=C1 185 Strange valence at Cl [O-]C(Sc1ccccc1)=C1C=NC=C[N]1 257 Error in aromatic system COc1ccc([S]2C=Cc3cccn3-c3cccc(O)c32)cc1 286 Strange valence at S CN=C1[N]N(c2cccc(Cl)c2C)N=[O+]1 324 Error in aromatic system [C-]1=C2CCCCC2=CC1CC[c-]1ccc2c1CCCC2 388 Strange valence at C CC(O)=Nc1ccc(S(=O)(=O)N2CCC(C3=NC(=C4C=CC(=[Cl+])C=C4)[N-]N3)CC2)cc1 389 Strange valence at Cl CN(C)C(=[Cl+])N(C)C 408 Strange valence at Cl OC(=C1C=CC(=[Br+])C=C1)C(C([S-])=Nc1ccc(OC(F)F)cc1)=[N+]1C=CC=C[CH-]1 44 Strange valence at Br CC1=CC(=NC(=O)CN2C=CC(=C(O)c3ccccc3)C=C2)C=CC1=[Br+] 271 Strange valence at Br CN(C)C=CC(=C1C=CC(=[F+])C=C1)N(C)C 339 Strange valence at F CN(C)C=CC(=C1C=CC(=[Br+])C=C1)N(C)C 340 Strange valence at Br COc1ccc(C2=CC(c3ccccc3)=CC(=C3C=CC(=[F+])C=C3)O2)cc1 451 Strange valence at F COc1ccc(C2=CC(c3ccccc3)=CC(=C3C=CC(=[Cl+])C=C3)O2)cc1 452 Strange valence at Cl COc1ccc(C2=CC(c3ccccc3)=CC(=C3C=CC(=[Br+])C=C3)O2)cc1 453 Strange valence at Br COc1ccc(C2=CC(c3ccccc3)=CC(=C3C=CC(=[I+])C=C3)O2)cc1 454 Strange valence at I CC1=C(c2ccccc2)OC(=C2C=CC(=[Cl+])C=C2)C=C1c1ccccc1 459 Strange valence at Cl CC1=C(c2ccc(F)cc2)OC(=C2C=CC(=[F+])C=C2)C=C1c1ccccc1 462 Strange valence at F C=CCC1=C(c2ccc(F)cc2)OC(=C2C=CC(=[F+])C=C2)C=C1c1ccccc1 463 Strange valence at F [Cl+]=C1C=CC(=C2C=CC3=C(CCc4ccccc43)O2)C=C1 473 Strange valence at Cl O=[N+]([O-])c1ccc([SH](O)(O)=Nc2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1 98 Strange valence at S CCN1C(=CC=CC=C2CCCC(=CC=CC=C3Sc4ccccc4N3CC)C2=[Cl+])Sc2ccccc21 483 Strange valence at Cl O[B-](O)=C1C=CC=C1 441 Strange valence at B C[Si-](C)(=C1C#Cc2ccccc21)[C+]1C#Cc2ccccc21 228 Strange valence at Si C1=[C+]C(CC[c-]2c#cc3c2CCCC3)=C2CCCCC=12 334 Strange valence at C Fn1c(Cl)cccc1=[Cl+] 31 Strange valence at Cl C[SH](N)(=O)c1ccccc1 151 Strange valence at S Brc1ccc(C2=CC(c3ccccc3)=CC(=C3C=CC(=[Br+])C=C3)S2)cc1 155 Strange valence at Br CCCCn1c(C)c2cccc3c2c1C=CC3=[Cl+] 244 Strange valence at Cl [Br+]=C1C=CC(=C2C=Cc3ccccc3O2)C=C1 457 Strange valence at Br [Cl+]=c1n(Cc2ccccc2)c2ccccc2n1Cc1ccccc1 173 Strange valence at Cl [O-][NH+]1C(CO)=C(CO)[NH+]([O-])c2ccccc21 42 Strange valence at N COc1ccc(S#N)c([N+](=O)[O-])c1 449 Strange valence at S CCOC(=O)[C@@H](N)CC[SH](C)(=O)O 84 Strange valence at S CCCCCCCCCCCC(=O)[NH+]([O-])CCCN(C)C 198 Strange valence at N CN1CCN(C)C1=[Cl+] 221 Strange valence at Cl [Cl+]=C1C(=CC2=C3OC(c4ccccc4)=CC(c4ccccc4)=C3CCC2)CCCC1=CC1=C2OC(c3ccccc3)=CC(c3ccccc3)=C2CCC1 13 Strange valence at Cl CC(C)(C)C1CC2=Cc3c(ccc4ccccc34)OC2=C(C=C2CCCC(=CC3=C4Oc5ccc6ccccc6c5C=C4CC(C(C)(C)C)C3)C2=[Cl+])C1 14 Strange valence at Cl CC(C)(C)C1CC(=CC2=C3Oc4ccc5ccccc5c4C=C3CC(C(C)(C)C)C2)C(=[Cl+])C(=CC2=C3Oc4ccc5ccccc5c4C=C3CC(C(C)(C)C)C2)C1 21 Strange valence at Cl Cc1nnc(SCC(O)=Nc2ncc([SH](=O)(O)c3ccc([N+](=O)[O-])cc3)s2)s1 68 Strange valence at S CN(C)C=CC(=[Cl+])N(c1ccccc1)c1ccccc1 73 Strange valence at Cl COc1ccc(N(C(=[Cl+])C=CN(C)C)c2ccc(OC)cc2)cc1 74 Strange valence at Cl COc1ccc(N(C(=[Cl+])C=CN(C)C)c2ccc(C)cc2)cc1 75 Strange valence at Cl CN(C)C=CC(=[Cl+])N(c1ccccc1)c1cccc2ccccc12 76 Strange valence at Cl CN(C)C=CC(=[Cl+])N(c1ccccc1)c1ccc2ccccc2c1 77 Strange valence at Cl CN(C)C=CC(=[Cl+])N1c2ccccc2Sc2ccccc21 78 Strange valence at Cl CN(C)C=CC(=[Cl+])N(C)C 79 Strange valence at Cl COc1ccc(N(C(=[Cl+])C=CN(C)C)c2cc(N(C(=[Cl+])C=CN(C)C)c3ccc(OC)cc3)cc(N(C(=[Cl+])C=CN(C)C)c3ccc(OC)cc3)c2)cc1 80 Strange valence at Cl Cc1ccc(N(C(=[Cl+])C=CN(C)C)c2cc(N(C(=[Cl+])C=CN(C)C)c3ccc(C)cc3)cc(N(C(=[Cl+])C=CN(C)C)c3ccc(C)cc3)c2)cc1 81 Strange valence at Cl CC1(C)c2nc(N3CCOCC3)sc2C(=C2C=CC(=[Cl+])C=C2)c2sc(N3CCOCC3)nc21 132 Strange valence at Cl CC1[C+]=C(C2=[S+]C(=C3C=CC(C4=[C-]C(C)O[B-](F)(F)O4)=[S+]3)C=C2)O[B-](F)(F)O1 228 Strange valence at C CCCCCN(C)c1ccc(/C=C/C2[C+]=C(c3ccc([N+](=O)[O-])cc3)O[B-](F)(F)O2)cc1 229 Strange valence at C COc1ccc(/C=C/C2[C+]=C(c3ccc([N+](=O)[O-])cc3)O[B-](F)(F)O2)cc1 230 Strange valence at C CCN(CC)c1ccc(/C=C/C2[C+]=C(c3ccc([N+](=O)[O-])cc3)O[B-]3(OC(=O)C(C)(c4ccccc4)O3)O2)c(OC(C)=O)c1 231 Strange valence at C CCCCN(CCCC)c1ccc(/C=C/C2[C+]=C(c3ccc([N+](=O)[O-])cc3)O[B-]3(OC(=O)C(=O)O3)O2)cc1 232 Strange valence at C O=C1CC(=O)O[B-]2(O1)OC(c1ccccc1)=[C+]C(c1ccccc1)O2 234 Strange valence at C Cc1ccc(C2=[C+]C(C)O[B-](F)(F)O2)cc1 252 Strange valence at C CC1[C+]=C(c2ccc(F)cc2)O[B-](F)(F)O1 253 Strange valence at C COc1ccc(C2=[C+]C(c3ccc(OC)cc3)O[B-](F)(F)O2)cc1 254 Strange valence at C CC1[C+]=C(c2ccc([N+](=O)[O-])cc2)O[B-](F)(F)O1 255 Strange valence at C CC1[C+]=C(c2ccc(-c3ccccc3)cc2)O[B-](F)(F)O1 256 Strange valence at C CSc1ccc(C2=[C+]C(C)O[B-](F)(F)O2)cc1 257 Strange valence at C CCSc1ccc(C2=[C+]C(C)O[B-](F)(F)O2)cc1 258 Strange valence at C COc1ccc(C2=[C+]C(C)O[B-](F)(F)O2)cc1 259 Strange valence at C CC1[C+]=C(c2ccc(N(C)C)cc2)O[B-](F)(F)O1 260 Strange valence at C CC1[C+]=C(c2ccc(I)cc2)O[B-](F)(F)O1 261 Strange valence at C COc1ccc(C2=[C+]C(C)O[B-](F)(F)O2)cc1OC 262 Strange valence at C CC1[C+]=C(c2ccc3ccccc3c2)O[B-](F)(F)O1 263 Strange valence at C CC1[C+]=C(c2cccc3ccccc23)O[B-](F)(F)O1 264 Strange valence at C CC1[C+]=C(c2ccc([N+](C)(C)C)cc2)O[B-](F)(F)O1 265 Strange valence at C CC1[C+]=C(c2ccc([N+](C)(C)C)cc2)O[B-](F)(F)O1 266 Strange valence at C F[B-]1(F)OC(c2ccccc2)=[C+]C(c2ccccc2)O1 267 Strange valence at C CC1[C+]=C(c2cccs2)O[B-](F)(F)O1 268 Strange valence at C Cc1ccc(C2=[C+]C(C)O[B-](F)(F)O2)s1 269 Strange valence at C CC1[C+]=C(c2ccc(Br)s2)O[B-](F)(F)O1 270 Strange valence at C CCN(CC)c1ccc2cc(C3=[C+]C(C)O[B-](F)(F)O3)c(=O)oc2c1 271 Strange valence at C CC1[C+]=C(c2ccc(Oc3ccc(C4=[C+]C(C)O[B-](F)(F)O4)cc3)cc2)O[B-](F)(F)O1 273 Strange valence at C CC1[C+]=C(c2ccc(OCCCOc3ccc(C4=[C+]C(C)O[B-](F)(F)O4)cc3)cc2)O[B-](F)(F)O1 274 Strange valence at C O=[N+]([O-])c1ccc(C2=[C+]C(/C=C/c3sc(N4CCOCC4)nc3-c3ccccc3)O[B-](F)(F)O2)cc1 276 Strange valence at C CCCCN(CCCC)c1ccc(/C=C/C2[C+]=C(c3ccc(Br)s3)O[B-](F)(F)O2)cc1 277 Strange valence at C CC1=[C+]C(C)O[B-]2(O1)Oc1ccccc1O2 320 Strange valence at C [C+]1=C(c2ccccc2)O[B-]2(Oc3ccccc3O2)OC1c1ccccc1 321 Strange valence at C CC1O[B-](F)(F)OC(c2ccccc2)C1=[Br+] 322 Strange valence at Br CC1=CC(c2ccc(F)cc2)=CC(=C2C=CC(=[F+])C=C2)O1 327 Strange valence at F CC1=CC(c2ccc(Cl)cc2)=CC(=C2C=CC(=[Cl+])C=C2)O1 329 Strange valence at Cl [Cl+]=C1C(=CC2=C3Oc4ccc5ccccc5c4C=C3CCC2)CCCC1=CC1=C2Oc3ccc4ccccc4c3C=C2CCC1 453 Strange valence at Cl O=C(OCC/C1=C\C=C/C=C\C=C/1)c1ccc([N+](=O)[O-])cc1 21 SMILES ERROR - Inconsistent EZ stereo information CO/C1=N/C=C\C2=CC=CC=C(\C=C/1)C2 148 SMILES ERROR - Inconsistent EZ stereo information COC(=O)/C1=C(\N2CCCC2)CCCCCCCCCC\C=C/1C(=O)OC 232 SMILES ERROR - Inconsistent EZ stereo information CO/C1=N/c2ccccc2C2CC2\C=C/1 261 SMILES ERROR - Inconsistent EZ stereo information O=c1n([SH](=O)(O)c2ccccc2)c2ccccc2n1[SH](=O)(O)c1ccccc1 323 Strange valence at S [N-]=[N+]1ONc2ccccc21 202 Strange valence at N [N-]=[N+]1[N-][N+](=O)c2ccccc21 223 Strange valence at N C/C1=C/C(O)CC(=O)Cc2nc(co2)C(O)=NC(C)C(=O)OC(C(C)C)C(C)/C=C/C(O)=NC/C=C/1 294 SMILES ERROR - Inconsistent EZ stereo information