CCOc1ccc2c(c1)[N+]([O-])=C(C(=O)OC)C(=O)[NH+]2[O-] 412 Strange valence at N Error when processing molecule 30 C/C(=[NH+]/[O-])c1conc1/C(C)=[NH+]/[O-] java.lang.RuntimeException: Bad EZ ref 2056null 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) N#C/C(=[NH+]/[O-])c1n[o+][n-]c1N 31 Strange valence at O Cc1nn(Cc2ccccc2)c(C)c1[IH]c1ccccc1 168 Strange valence at I CCCCn1c(N=C(O)/C=C/c2cccc([N+](=O)[O-])c2)c([SH](=O)(O)c2ccccc2)c2nc3ccccc3nc21 237 Strange valence at S [O-][NH+]1C(CO)=C(CO)[NH+]([O-])c2ccccc21 257 Strange valence at N O[N-]C1=C2C(=[Cl+])C=CC=C2N=C1O 246 Strange valence at Cl O[N-]C1=C(O)N=C2C(=[Cl+])C=CC=C21 249 Strange valence at Cl O[N-]C1=C2C=CC(=[Cl+])C(Cl)=C2N=C1O 250 Strange valence at Cl O[N-]C1=C2C=CC(=[Cl+])C=C2N=C1O 252 Strange valence at Cl O[N-]C1=C(O)N=C2C=CC(=[Cl+])C=C21 254 Strange valence at Cl O[N-]C1=C(O)N=C2C(Cl)=CC(=[Cl+])C=C21 293 Strange valence at Cl O[N-]C1=C(O)N=C2C=CC(=[Br+])C=C21 294 Strange valence at Br N#CC(C#SN)=C1CCCCC1 294 Strange valence at S CN1C(=C2C=CC(=[F+])C=C2)N(C)c2ccccc21 328 Strange valence at F CC(C)c1cnc(CN(C)C(=O)N[C@H](C(=O)NC(C[C@@H](O)C(~Cc2ccccc2)NC(=O)OCc2cncs2)~Cc2ccccc2)C(C)C)s1 325 SMILES ERROR '~' bond allowed only in SMARTS CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1cccc(C(F)(F)F)c1)C(=O)CO2 36 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=NC1CCCCC1)C(=O)CO2 37 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(=O)Nc1ccc(N(C)C)cc1)C(=O)CO2 38 Strange valence at S CCOc1ccc(NC(=O)CN2C(=O)COc3ccc([SH](=O)(O)CC)cc32)cc1 39 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=NCc1ccco1)C(=O)CO2 40 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=NCc1ccccc1Cl)C(=O)CO2 41 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(=O)N1CCCc3ccccc31)C(=O)CO2 42 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=NCCc1ccc(OC)c(OC)c1)C(=O)CO2 43 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1cccc(OC)c1)C(=O)CO2 44 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1ccccc1Cl)C(=O)CO2 45 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(=O)Nc1ccc(C)cc1)C(=O)CO2 46 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1ccc(OC)cc1OC)C(=O)CO2 47 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1ccc(C)c(Cl)c1)C(=O)CO2 48 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1ccccc1C(F)(F)F)C(=O)CO2 49 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1ccccc1OC)C(=O)CO2 50 Strange valence at S CCOC(=O)c1ccc(NC(=O)CN2C(=O)COc3ccc([SH](=O)(O)CC)cc32)cc1 51 Strange valence at S CCN(C(=O)CN1C(=O)COc2ccc([SH](=O)(O)CC)cc21)c1cccc(C)c1 52 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(=O)N=c1cc(C)o[nH]1)C(=O)CO2 53 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(=O)N1CCN(c3ccccc3OC)CC1)C(=O)CO2 54 Strange valence at S CCN(C(=O)CN1C(=O)COc2ccc([SH](=O)(O)CC)cc21)c1ccccc1 55 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=NCCC1=CCCCC1)C(=O)CO2 56 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=NC1CCCC1)C(=O)CO2 57 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1cc(OC)ccc1OC)C(=O)CO2 58 Strange valence at S CCc1ccccc1N=C(O)CN1C(=O)COc2ccc([SH](=O)(O)CC)cc21 59 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1ccccc1C(=O)OC)C(=O)CO2 60 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=NCc1ccc(C)cc1)C(=O)CO2 61 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1cc(C(F)(F)F)ccc1Cl)C(=O)CO2 62 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(=O)Nc1ccc(C(C)C)cc1)C(=O)CO2 63 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(=O)Nc1ccc(OC)cc1)C(=O)CO2 64 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(=O)Nc1ccc(F)cc1)C(=O)CO2 65 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1ccc(OC)c(Cl)c1)C(=O)CO2 66 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1ccccc1C)C(=O)CO2 67 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1cccc(C)c1)C(=O)CO2 68 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1ccc(Br)cc1F)C(=O)CO2 69 Strange valence at S CCOc1ccccc1N=C(O)CN1C(=O)COc2ccc([SH](=O)(O)CC)cc21 70 Strange valence at S CCOC(=O)c1ccccc1N=C(O)CN1C(=O)COc2ccc([SH](=O)(O)CC)cc21 71 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1c(C)cc(C)cc1C)C(=O)CO2 72 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1cc(Cl)ccc1C)C(=O)CO2 73 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1ccc(C)cc1C)C(=O)CO2 74 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1ccc(C)cc1Cl)C(=O)CO2 75 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1c(C)cccc1C)C(=O)CO2 76 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1ccc(F)cc1F)C(=O)CO2 77 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1ccccc1F)C(=O)CO2 78 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(=O)N(C)c1ccccc1)C(=O)CO2 79 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1ccc(Cl)cc1F)C(=O)CO2 80 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(=O)Nc1ccc(Br)cc1)C(=O)CO2 81 Strange valence at S CCc1cccc(N=C(O)CN2C(=O)COc3ccc([SH](=O)(O)CC)cc32)c1 82 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1ccc(F)c(Cl)c1)C(=O)CO2 83 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1cc(OC)cc(OC)c1)C(=O)CO2 84 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1cccc(SC)c1)C(=O)CO2 85 Strange valence at S CCc1cccc(C)c1N=C(O)CN1C(=O)COc2ccc([SH](=O)(O)CC)cc21 86 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(=O)Nc1ccc(Cl)cc1)C(=O)CO2 87 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1cc(C)ccc1C)C(=O)CO2 88 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1cc(Cl)c(OC)cc1OC)C(=O)CO2 89 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=NCc1ccc(F)cc1)C(=O)CO2 90 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=NC(C)CCc1ccccc1)C(=O)CO2 91 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1cccc(Br)c1)C(=O)CO2 92 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1cc(F)ccc1F)C(=O)CO2 93 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(=O)N1CCOc3ccc(C)cc31)C(=O)CO2 94 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=NCCCc1ccccc1)C(=O)CO2 95 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=NCc1ccc(OC)cc1)C(=O)CO2 96 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=NCc1ccc(Cl)cc1)C(=O)CO2 97 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(=O)Nc1ccc(C(C)=O)cc1)C(=O)CO2 98 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=NCc1cccc(OC)c1OC)C(=O)CO2 99 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(=O)N1CCN(c3ccc(F)cc3)CC1)C(=O)CO2 100 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1cccc(F)c1)C(=O)CO2 101 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(=O)Nc1ccc(C(=O)OC)cc1)C(=O)CO2 102 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=NCc1ccc3c(c1)OCO3)C(=O)CO2 103 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1cccc(C)c1C)C(=O)CO2 104 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(=O)N(C)c1cccc(C)c1)C(=O)CO2 105 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1ccc3c(c1)OCCO3)C(=O)CO2 106 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(=O)N1CCN(c3ccc(OC)cc3)CC1)C(=O)CO2 107 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1cc(C)ccc1OC)C(=O)CO2 108 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1cc(OC)c(OC)c(OC)c1)C(=O)CO2 109 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(=O)N1CCc3ccccc31)C(=O)CO2 110 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1cccc(C(C)C)c1)C(=O)CO2 111 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1cccc(C#N)c1)C(=O)CO2 112 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=NCc1ccc(OC)c(OC)c1)C(=O)CO2 113 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(=O)Nc1ccc(F)cc1C)C(=O)CO2 114 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1c(C)cccc1Cl)C(=O)CO2 115 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(=O)Nc1ccc(Br)cc1C)C(=O)CO2 116 Strange valence at S CCCCc1ccc(NC(=O)CN2C(=O)COc3ccc([SH](=O)(O)CC)cc32)cc1 117 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(=O)N(C)c1cccc(Cl)c1)C(=O)CO2 118 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(=O)Nc1ccc(Oc3ccccc3)cc1)C(=O)CO2 119 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1ccc(F)c(F)c1)C(=O)CO2 120 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1ccc(OC)c(F)c1)C(=O)CO2 121 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1ccc(Cl)c(Cl)c1)C(=O)CO2 122 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1ccc(F)cc1Cl)C(=O)CO2 123 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1cc(F)ccc1Cl)C(=O)CO2 124 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=NCc1ccc(F)cc1Cl)C(=O)CO2 125 Strange valence at S CCCS(=O)(=O)C1=C([n+]2cc(C)cc(C)c2)C(=C2C=CC(=[F+])C=C2)OC1=S(=O)([O-])CCC 481 Strange valence at F Cc1cc(=[Cl+])n(-c2ccccc2)n1C 189 Strange valence at Cl COC(=O)C1=[N+]([O-])c2cc(OC)ccc2[NH+]([O-])C1=O 196 Strange valence at N O=[N+]1ON=c2c1ccc1c2=CC=N[N]1 415 Error in aromatic system CC1=c2c(ccc3c2=NO[N+]3=O)[N]N=C1 416 Error in aromatic system CC1=N[N]c2ccc3c(c2=C1)=NO[N+]3=O 419 Error in aromatic system CCCCn1c(C)c2cccc3c2c1C=CC3=[Cl+] 166 Strange valence at Cl Cc1c(C)[n+](C)c(C(CC(=O)O)c2ccc(-c3ccc(S(#N)(O)O)cc3)o2)n1O 332 Strange valence at S CCn1c(=[I+])ccc2cc(OC)ccc21 412 Strange valence at I Error when processing molecule 472 [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) CCn1nc(C)c([IH]c2ccccc2)c1C 151 Strange valence at I CN(C)C=C1CCN(c2ccccc2Cl)C1=[Cl+] 484 Strange valence at Cl CC1([NH2+][O-])CCCCC1=O 242 Strange valence at N C/C(=N\N=C(/C=C/c1ccccc1)/C=C/c1ccccc1)c1nnn(-c2nonc2N)c1C 57 SMILES ERROR - Inconsistent EZ stereo information COC(=O)C1=[N+]([O-])c2cc(Cl)c(Cl)cc2[NH+]([O-])C1=O 135 Strange valence at N CCOC(=O)C1=[N+]([O-])c2cc(C)ccc2[NH+]([O-])C1=O 415 Strange valence at N O=[SH](O)(Cl)Cc1ccc(F)cc1Cl 48 Strange valence at S Cc1nnc(SCC(O)=Nc2ncc([SH](=O)(O)c3ccc([N+](=O)[O-])cc3)s2)s1 226 Strange valence at S CCN1N=C(c2ccc(F)cc2)C2C=CC3OC(=C4C=CC(=[F+])C=C4)c4ccc1c2c43 175 Strange valence at F