CC1=NC(=N)[N]N1C(=O)CCC(=O)c1ccc2c(c1)OCCO2	254	Error in aromatic system
COCCn1c(C)c(C)c(S(=O)(=O)c2ccccc2)c1[N-]C(O)=C1C=CC(=[F+])C=C1	112	Strange valence at F
CC1CCC2=C(C1)SC(=NC(O)=C1C=CC(=[F+])C=C1)C2=C(O)[N-]C1CCS(=O)(=O)C1	866	Strange valence at F
COc1ccc([N-]C(O)=C2C(=[F+])C(F)=C3C(=C2F)N(CCc2ccc(OC)c(OC)c2)CCS3(=O)=O)cc1	1097	Strange valence at F
C=CCn1c(C)c(C)c(S(=O)(=O)c2ccc(F)cc2)c1[N-]C(O)=C1C=CC(=[F+])C=C1	1591	Strange valence at F
O[N-]C1=C2C(=[Cl+])C=CC=C2N=C1O	1834	Strange valence at Cl
O[N-]C1=C(O)N=C2C(=[Cl+])C=CC=C21	1837	Strange valence at Cl
O[N-]C1=C2C=CC(=[Cl+])C(Cl)=C2N=C1O	1838	Strange valence at Cl
O[N-]C1=C2C=CC(=[Cl+])C=C2N=C1O	1840	Strange valence at Cl
O[N-]C1=C(O)N=C2C=CC(=[Cl+])C=C21	1842	Strange valence at Cl
O[N-]C1=C(O)N=C2C(Cl)=CC(=[Cl+])C=C21	1858	Strange valence at Cl
O[N-]C1=C(O)N=C2C=CC(=[Br+])C=C21	1859	Strange valence at Br
Fc1ccc(C2=C(Cc3ccccc3)C(c3ccccc3)=CC(=C3C=CC(=[F+])C=C3)O2)cc1	456	Strange valence at F
Cc1ccc2c(c1)C(N(C)C1CCN(C)CC1)=CC(=C1C=CC(=[Cl+])C=C1)O2	732	Strange valence at Cl
Error when processing molecule
1717
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	1718	Strange valence at O
COCCCn1c(C)c(C)c(S(=O)(=O)c2ccccc2)c1[N-]C(O)=C1C=CC(=[F+])C=C1	64	Strange valence at F
O=S1(=O)CCC([S+]([O-])(O)=C2C=CC(=C([O-])N=C3C=CC(=[Br+])C=C3)C=C2)C1	227	Strange valence at Br
O=C(N=C1C=CC(=[Cl+])C=C1)c1cccc([S+](=O)(O)C2CCS([O-])([O-])C2)c1	244	Strange valence at Cl
N=c1c(S(=O)(=O)c2ccccc2)c2[nH]c3ccccc3[nH]c-2[n+]1CC[N-]C([O-])=C1C=CC(=[F+])C=C1	594	Strange valence at F
COC(=O)C([N-]C(O)=C1C=CC(=[F+])C=C1)(Nc1nc2ccc(S(C)(=O)=O)cc2s1)C(F)(F)F	727	Strange valence at F
CS(=O)(=O)c1ccc2nc([N-]C(O)=C3C=CC(=[F+])C=C3)sc2c1	1439	Strange valence at F
N#CC(C#N)=[n+]1cc2c(c3cscc31)=CC=[S-]2	1191	Error in aromatic system
CC1=C(CC(O)=NC2CCS(=O)(=O)C2)C(=C2C=CC(=[F+])C=C2)N[N-]1	17	Strange valence at F
CC1=C(CC(O)=NC2CCS(=O)(=O)C2)C(=C2C=CC(=[Cl+])C=C2)N[N-]1	1818	Strange valence at Cl
NC1=C2C(=NP(c3ccccc3)(c3ccccc3)=[N+]=C2c2ccccc2)NN1	663	Strange valence at N
[Br+]=C1C=CC(=C2N(c3ccccn3)c3ccccc3N2c2ccccn2)C=C1	1023	Strange valence at Br
CCOC(=O)c1c(C)n(C)c(=[Br+])n1C	402	Strange valence at Br
O=[N+]1ON=c2c1ccc1c2=CC=N[N]1	1986	Error in aromatic system
CCn1nc(C)c([IH]c2ccccc2)c1C	1310	Strange valence at I
COc1ccc([N-]C(O)=C2C(=[F+])C(F)=C3C(=C2F)N(Cc2cccnc2)CCS3(=O)=O)cc1	1433	Strange valence at F
COc1ccc(-c2cc(=NC(O)=C3C=CC(=[F+])C=C3)n(C3CCS(=O)(=O)C3)[n-]2)cc1	1467	Strange valence at F
CCCCCCC1(O)CC(C)(C)[NH+]([O-])C(C)(C)C1	952	Strange valence at N
CC1(C)CC(=NO)CC(C)(C)[NH+]1[O-]	1734	Strange valence at N
CCCN(CCC)C(=O)c1cc([NH2+][O-])cc2c1-c1ccc([N+](=O)[O-])cc1C2=O	1093	Strange valence at N
CCOC(=O)c1cc([NH2+][O-])cc2c1-c1ccc([N+](=O)[O-])cc1C2=O	1094	Strange valence at N
O=[n+]1c(-c2ccccc2)c2n(c3ccccc31)[N]N=N2	1119	Error in aromatic system
Nc1cnccc1SCCCOC(=O)c1cccc2c1[N]C=C2	1897	Error in aromatic system
COC(=O)C([N-]C(O)=C1C=CC(=[F+])C=C1)(Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1)C(F)(F)F	763	Strange valence at F
CS(=O)(=O)C1=NC(=C(O)[N-]c2ccc(Cl)cc2)C(=[Cl+])C=N1	1275	Strange valence at Cl
O=S1(=O)CCC([N-]C(O)=C2C(=NC(O)=C3C=CC(=[F+])C=C3)SC3=C2CCCC3)C1	1377	Strange valence at F
O=S(=O)(Cc1ccccc1Cl)c1n[n-]c(=NC(O)=C2C=CC(=[F+])C=C2)s1	1546	Strange valence at F
Cn1n[o+]c([N-])c1-c1ccccc1	595	Strange valence at N
CN1C=CC(=CC=C2C=CC(=[F+])C=C2)c2ccccc21	270	Strange valence at F
Cc1c(S(=O)(=O)c2ccc(F)cc2)c([N-]C(O)=C2C=CC(=[F+])C=C2)n(C(C)C)c1C	140	Strange valence at F
COCCCN1CCS(=O)(=O)C2=C(F)C(=[F+])C(=C(O)[N-]c3ccc(Br)cc3)C(F)=C21	260	Strange valence at F
CCCn1c(C)c(C)c(S(=O)(=O)c2ccccc2)c1[N-]C(O)=C1C=CC(=[F+])C=C1	495	Strange valence at F
O=S1(=O)CCN(Cc2ccccc2)C2=C(F)C(=C(O)[N-]c3ccc(Br)cc3)C(=[F+])C(F)=C21	597	Strange valence at F
COc1ccc([N-]C(O)=C2C(=[F+])C(F)=C3C(=C2F)N(CCC2=CCCCC2)CCS3(=O)=O)cc1	847	Strange valence at F
O=S1(=O)CCC([S+]([O-])(O)=C2C=CC(=[F+])C(C([O-])=Nc3ccc(F)cc3)=C2)C1	1206	Strange valence at F
Cc1ccc(S(=O)(=O)c2c3[nH]c4ccccc4[nH]c-3[n+](CC[N-]C([O-])=C3C=CC(=[F+])C=C3)c2=N)cc1	1448	Strange valence at F
N#C/C1=N\Nc2ccccc2OCCCOc2ccccc2/N=N/1	480	SMILES ERROR - Inconsistent EZ stereo information
Error when processing molecule
499
[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)
Cc1nnc(SCC(O)=Nc2ncc([SH](=O)(O)c3ccc([N+](=O)[O-])cc3)s2)s1	1613	Strange valence at S
O=[N+](N=C1N[N]N=C1c1ccccc1)c1nonc1-c1ccccc1	1198	Error in aromatic system
O=c1n([SH](=O)(O)c2ccccc2)c2ccccc2n1[SH](=O)(O)c1ccccc1	1119	Strange valence at S
CC1=CC(=NC(=O)CN2C=CC(=C(O)c3ccccc3)C=C2)C=CC1=[Br+]	1538	Strange valence at Br
Cc1nn(Cc2ccccc2)c(C)c1[IH]c1ccccc1	1137	Strange valence at I
CC1=c2c(ccc3c2=NO[N+]3=O)[N]N=C1	349	Error in aromatic system
C/C(=N\N=C(/C=C/c1ccccc1)/C=C/c1ccccc1)c1nnn(-c2nonc2N)c1C	321	SMILES ERROR - Inconsistent EZ stereo information
COCCN1CCS(=O)(=O)C2=C(F)C(=[F+])C(=C(O)[N-]c3ccc(OC)cc3)C(F)=C21	87	Strange valence at F
COCCn1c(C)c(C)c(S(=O)(=O)c2ccc(F)cc2)c1[N-]C(O)=C1C=CC(=[F+])C=C1	182	Strange valence at F
CCCn1c(C)c(C)c(S(=O)(=O)c2ccc(OC)cc2)c1[N-]C(O)=C1C=CC(=[F+])C=C1	250	Strange valence at F
COc1ccc(S(=O)(=O)c2c(C)c(C)n(C(C)C)c2[N-]C(O)=C2C=CC(=[F+])C=C2)cc1	335	Strange valence at F
C=CCn1c(C)c(C)c(S(=O)(=O)c2ccc(C)cc2)c1[N-]C(O)=C1C=CC(=[F+])C=C1	359	Strange valence at F
CS(=O)(=O)C1=NC(=C(O)[N-]c2ccc(Oc3ccccc3)cc2)C(=[Cl+])C=N1	411	Strange valence at Cl
COc1ccc([N-]C(O)=C2C(=[F+])C(F)=C3C(=C2F)N(CCc2ccccc2)CCS3(=O)=O)cc1	460	Strange valence at F
CS(=O)(=O)C1=NC(=C(O)[N-]c2ccc(Br)cc2)C(=[Cl+])C=N1	800	Strange valence at Cl
COc1ccc([N-]C(O)=C2C(=[F+])C(F)=C3C(=C2F)N(Cc2ccccc2)CCS3(=O)=O)cc1	833	Strange valence at F
CCS(=O)(=O)C1=NC(=C(O)[N-]c2ccc(Oc3ccccc3)cc2)C(=[Cl+])C=N1	960	Strange valence at Cl
O=S1(=O)CCN(Cc2cccnc2)C2=C(F)C(=C(O)[N-]c3ccc(Br)cc3)C(=[F+])C(F)=C21	1191	Strange valence at F
Cc1c(S(=O)(=O)c2ccccc2)c([N-]C(O)=C2C=CC(=[F+])C=C2)n(C(C)C)c1C	1296	Strange valence at F
C=CCn1c(C)c(C)c(S(=O)(=O)c2ccc(OC)cc2)c1[N-]C(O)=C1C=CC(=[F+])C=C1	1644	Strange valence at F
O=S1(=O)CCC([S+]([O-])(O)=C2C=CC(=C([O-])N=C3C=CC(=[F+])C=C3)C=C2)C1	101	Strange valence at F
O=C(N=C1C=CC(=[Br+])C=C1)c1cccc([S+](=O)(O)C2CCS([O-])([O-])C2)c1	495	Strange valence at Br
C=CCn1c(C)c(C)c(S(=O)(=O)c2ccccc2)c1[N-]C(O)=C1C=CC(=[F+])C=C1	1753	Strange valence at F
CCc1cc(=O)oc2c(CN3CCN([SH](=O)(O)N(C)C)CC3)c(O)c(Cl)cc12	460	Strange valence at S
CN(C)[SH](=O)(O)N1CCN(Cc2c(O)ccc3c4c(c(=O)oc23)CCC4)CC1	461	Strange valence at S
CCOc1ccc2c(c1)[N+]([O-])=C(C(=O)OC)C(=O)[NH+]2[O-]	1936	Strange valence at N
c1ccc(-c2nn(-c3ccccc3)[n+](C3=N[N]N=N3)n2)cc1	120	Error in aromatic system
Cc1ccc(-n2nc(-c3ccccc3)n[n+]2C2=N[N]N=N2)cc1	121	Error in aromatic system
COc1ccc(-c2nn(-c3ccccc3)[n+](C3=N[N]N=N3)n2)cc1OC	122	Error in aromatic system
COC(=O)C1=[N+]([O-])c2cc(OC)ccc2[NH+]([O-])C1=O	473	Strange valence at N
Cc1cc(OCC(=O)[NH+]([O-])c2ccc(-c3nc(-c4ccccc4)no3)cc2)ccc1Cl	565	Strange valence at N
O=C(c1ccccc1)[NH+]([O-])c1ccc(-c2nc(-c3ccccc3)no2)cc1	567	Strange valence at N
O=C(CS)N1C(=C2C=CC(=[Cl+])C=C2)N(C(=O)CS)c2ccccc21	1877	Strange valence at Cl
OC(CSC1=NN(CC(O)=Nc2c(Cl)cccc2Cl)C(=C2C=CC(=[Br+])C=C2)O1)=Nc1c(Cl)cccc1Cl	1968	Strange valence at Br
N=c1nc(SCc2ccccc2)c2c([nH]1)=C[N+](=O)[N]N=2	1512	Error in aromatic system
CC1=CC(c2ccccc2)=CC(=C2C(F)=C(F)C(=[F+])C(F)=C2F)O1	1419	Strange valence at F
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+]	1437	Strange valence at F
FC1=C(F)C(=C2C=C(c3ccccc3)C3=C(CCCC3)O2)C(F)=C(F)C1=[F+]	1443	Strange valence at F
N#CC(C#SN)=C1CCCCC1	475	Strange valence at S
Cc1cc(=[Cl+])n(-c2ccccc2)n1C	447	Strange valence at Cl
c1ccc(Cn2c[n+]3[cH-]c(-c4ccccc4)nc3n2)cc1	402	Error in aromatic system
O=C(CN1C=CC(=C(O)N=NC=C2C=CC(=[Br+])C=C2)C=C1)c1ccccc1	796	Strange valence at Br
CN1C=CC(=C(O)N=NC=C2C=CC(=[Br+])C=C2)C=C1	361	Strange valence at Br
O=C1[N+]=C(C=Cc2ccccc2O)Oc2ccccc21	837	Error in aromatic system
O=C(N=C1C=CC(=[F+])C=C1)c1cccc([S+](=O)(O)C2CCS([O-])([O-])C2)c1	701	Strange valence at F
COCCn1c(C)c(C)c(S(=O)(=O)c2ccc(C)cc2)c1[N-]C(O)=C1C=CC(=[F+])C=C1	1163	Strange valence at F
O=S(=O)(Cc1ccc(Cl)cc1)c1n[n-]c(=NC(O)=C2C=CC(=[F+])C=C2)s1	1734	Strange valence at F
O=S1(=O)CCC(n2[n-]c(-c3ccccc3)cc2=NC(O)=C2C=CC(=[F+])C=C2)C1	1783	Strange valence at F
CC1=CC2=NCC(CNCc3c(C)noc3C)CN2[N]1	213	Error in aromatic system
Brc1ccc(-n2nc(-c3ccccc3)n[n+]2C2=N[N]N=N2)cc1	472	Error in aromatic system
[Cl+]=C1C=CC(=C2CN3C=C(c4ccccc4)N4CCCCC2=C34)C=C1	482	Strange valence at Cl
CCn1c(C)cc(=[Cl+])c2ccccc21	1068	Strange valence at Cl
O=[N+]1C(c2ccccc2)=N[N]C(c2ccccc2)=C1N1CCCCC1	1866	Error in aromatic system
CCCCn1c(C)c2cccc3c2c1C=CC3=[Cl+]	98	Strange valence at Cl
CCCS(=O)(=O)C1=C([n+]2cc(C)cc(C)c2)C(=C2C=CC(=[F+])C=C2)OC1=S(=O)([O-])CCC	326	Strange valence at F
F[Si](F)(F)(F)(F)F	1110	Strange valence at Si
CCS(=O)(=O)c1ccc2c(c1)[N-]C(=CC(O)=C1C=CC(=[F+])C=C1)C(=O)O2	1467	Strange valence at F
O=[N+]([O-])c1ccc(S(=O)(=O)c2cnc([N-]C(O)=C3C=CC(=[F+])C=C3)s2)cc1	1713	Strange valence at F
CC(C)Oc1ccc(N=C([O-])C2=CC(=[S+]([O-])(O)C3CCS(=O)(=O)C3)C=CC2=[F+])cc1	1751	Strange valence at F
O=S(=O)(Cc1ccccc1F)c1n[n-]c(=NC(O)=C2C=CC(=[F+])C=C2)s1	1980	Strange valence at F
Cn1c(=[I+])ccc2ccccc21	1643	Strange valence at I
CC1([NH2+][O-])CCCCC1=O	1279	Strange valence at N
COc1ccc(N=C([O-])C2=CC(=[S+]([O-])(O)C3CCS(=O)(=O)C3)C=CC2=[F+])cc1	103	Strange valence at F
CS(=O)(=O)c1n[n-]c(=NC(O)=C2C=CC(=[F+])C=C2)s1	134	Strange valence at F
O=S1(=O)CCC(S([O-])(O)C2=CC(=C([O-])N=C3C=CC(=[Cl+])C=C3)C(=[F+])C=C2)C1	451	Strange valence at F
CC(=O)[N-]c1ccc([N-]C(=O)C2=CC(=[S+](O)(O)C3CCS(=O)(=O)C3)C=CC2=[F+])cc1	651	Strange valence at F
O=S1(=O)CCN(Cc2ccco2)C2=C(F)C(=C(O)[N-]c3ccc(Br)cc3)C(=[F+])C(F)=C21	1337	Strange valence at F
COc1ccc([N-]C(O)=C2C(=[F+])C(F)=C3C(=C2F)N(CC2CCCO2)CCS3(=O)=O)cc1	1640	Strange valence at F
[O-][NH+]1C(CO)=C(CO)[NH+]([O-])c2ccccc21	72	Strange valence at N
CCn1c(=[I+])ccc2cc(OC)ccc21	1247	Strange valence at I
[Br+]=C1C=CC(=C2CN3C=C(c4ccccc4)N4CCCCC2=C34)C=C1	1979	Strange valence at Br
CN(C)C=C1CCN(c2ccccc2Cl)C1=[Cl+]	525	Strange valence at Cl
CCOC(=O)C1=[N+]([O-])c2cc(C)ccc2[NH+]([O-])C1=O	1862	Strange valence at N
Cc1cccc(C)c1NC([S-])=C(C([O-])=C1C=CC(=[F+])C=C1)[n+]1ccccc1	708	Strange valence at F
Cc1cc(C)cc(NC([S-])=C(C([O-])=C2C=CC(=[F+])C=C2)[n+]2cccc(C)c2)c1	44	Strange valence at F
COc1cccc(NC([S-])=C(C([O-])=C2C=CC(=[F+])C=C2)[n+]2ccccc2)c1	1615	Strange valence at F
Cc1ccc(C2=[N+][B-](C3CCCCC3)(C3CCCCC3)N3NN=NC3=N2)cc1	607	Strange valence at N
Cc1c(/N=N/c2c(C)n(C)n(-c3ccccc3)c2=[Cl+])c(=[Cl+])n(-c2ccccc2)n1C	1691	Strange valence at Cl
CC1=N[N]c2ccc3c(c2=C1)=NO[N+]3=O	504	Error in aromatic system
CC1=C(CC(O)=NCCS(=O)(=O)c2ccc(F)cc2)C(=C2C=CC(=[Cl+])C=C2)N[N-]1	1136	Strange valence at Cl
COc1ccc(S(=O)(=O)CCN=C(O)CC2=C(C)[N-]NC2=C2C=CC(=[Cl+])C=C2)cc1	1625	Strange valence at Cl
CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1cccc(C(F)(F)F)c1)C(=O)CO2	898	Strange valence at S
CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=NC1CCCCC1)C(=O)CO2	899	Strange valence at S
CC[SH](=O)(O)c1ccc2c(c1)N(CC(=O)Nc1ccc(N(C)C)cc1)C(=O)CO2	900	Strange valence at S
CCOc1ccc(NC(=O)CN2C(=O)COc3ccc([SH](=O)(O)CC)cc32)cc1	901	Strange valence at S
CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=NCc1ccco1)C(=O)CO2	902	Strange valence at S
CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=NCc1ccccc1Cl)C(=O)CO2	903	Strange valence at S
CC[SH](=O)(O)c1ccc2c(c1)N(CC(=O)N1CCCc3ccccc31)C(=O)CO2	904	Strange valence at S
CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=NCCc1ccc(OC)c(OC)c1)C(=O)CO2	905	Strange valence at S
CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1cccc(OC)c1)C(=O)CO2	906	Strange valence at S
CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1ccccc1Cl)C(=O)CO2	907	Strange valence at S
CC[SH](=O)(O)c1ccc2c(c1)N(CC(=O)Nc1ccc(C)cc1)C(=O)CO2	908	Strange valence at S
CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1ccc(OC)cc1OC)C(=O)CO2	909	Strange valence at S
CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1ccc(C)c(Cl)c1)C(=O)CO2	910	Strange valence at S
CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1ccccc1C(F)(F)F)C(=O)CO2	911	Strange valence at S
CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1ccccc1OC)C(=O)CO2	912	Strange valence at S
CCOC(=O)c1ccc(NC(=O)CN2C(=O)COc3ccc([SH](=O)(O)CC)cc32)cc1	913	Strange valence at S
CCN(C(=O)CN1C(=O)COc2ccc([SH](=O)(O)CC)cc21)c1cccc(C)c1	914	Strange valence at S
CC[SH](=O)(O)c1ccc2c(c1)N(CC(=O)N=c1cc(C)o[nH]1)C(=O)CO2	915	Strange valence at S
CC[SH](=O)(O)c1ccc2c(c1)N(CC(=O)N1CCN(c3ccccc3OC)CC1)C(=O)CO2	916	Strange valence at S
CCN(C(=O)CN1C(=O)COc2ccc([SH](=O)(O)CC)cc21)c1ccccc1	917	Strange valence at S
CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=NCCC1=CCCCC1)C(=O)CO2	918	Strange valence at S
CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=NC1CCCC1)C(=O)CO2	919	Strange valence at S
CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1cc(OC)ccc1OC)C(=O)CO2	920	Strange valence at S
CCc1ccccc1N=C(O)CN1C(=O)COc2ccc([SH](=O)(O)CC)cc21	921	Strange valence at S
CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1ccccc1C(=O)OC)C(=O)CO2	922	Strange valence at S
CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=NCc1ccc(C)cc1)C(=O)CO2	923	Strange valence at S
CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1cc(C(F)(F)F)ccc1Cl)C(=O)CO2	924	Strange valence at S
CC[SH](=O)(O)c1ccc2c(c1)N(CC(=O)Nc1ccc(C(C)C)cc1)C(=O)CO2	925	Strange valence at S
CC[SH](=O)(O)c1ccc2c(c1)N(CC(=O)Nc1ccc(OC)cc1)C(=O)CO2	926	Strange valence at S
CC[SH](=O)(O)c1ccc2c(c1)N(CC(=O)Nc1ccc(F)cc1)C(=O)CO2	927	Strange valence at S
CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1ccc(OC)c(Cl)c1)C(=O)CO2	928	Strange valence at S
CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1ccccc1C)C(=O)CO2	929	Strange valence at S
CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1cccc(C)c1)C(=O)CO2	930	Strange valence at S
CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1ccc(Br)cc1F)C(=O)CO2	931	Strange valence at S
CCOc1ccccc1N=C(O)CN1C(=O)COc2ccc([SH](=O)(O)CC)cc21	932	Strange valence at S
CCOC(=O)c1ccccc1N=C(O)CN1C(=O)COc2ccc([SH](=O)(O)CC)cc21	933	Strange valence at S
CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1c(C)cc(C)cc1C)C(=O)CO2	934	Strange valence at S
CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1cc(Cl)ccc1C)C(=O)CO2	935	Strange valence at S
CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1ccc(C)cc1C)C(=O)CO2	936	Strange valence at S
CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1ccc(C)cc1Cl)C(=O)CO2	937	Strange valence at S
CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1c(C)cccc1C)C(=O)CO2	938	Strange valence at S
CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1ccc(F)cc1F)C(=O)CO2	939	Strange valence at S
CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1ccccc1F)C(=O)CO2	940	Strange valence at S
CC[SH](=O)(O)c1ccc2c(c1)N(CC(=O)N(C)c1ccccc1)C(=O)CO2	941	Strange valence at S
CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1ccc(Cl)cc1F)C(=O)CO2	942	Strange valence at S
CC[SH](=O)(O)c1ccc2c(c1)N(CC(=O)Nc1ccc(Br)cc1)C(=O)CO2	943	Strange valence at S
CCc1cccc(N=C(O)CN2C(=O)COc3ccc([SH](=O)(O)CC)cc32)c1	944	Strange valence at S
CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1ccc(F)c(Cl)c1)C(=O)CO2	945	Strange valence at S
CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1cc(OC)cc(OC)c1)C(=O)CO2	946	Strange valence at S
CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1cccc(SC)c1)C(=O)CO2	947	Strange valence at S
CCc1cccc(C)c1N=C(O)CN1C(=O)COc2ccc([SH](=O)(O)CC)cc21	948	Strange valence at S
CC[SH](=O)(O)c1ccc2c(c1)N(CC(=O)Nc1ccc(Cl)cc1)C(=O)CO2	949	Strange valence at S
CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1cc(C)ccc1C)C(=O)CO2	950	Strange valence at S
CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1cc(Cl)c(OC)cc1OC)C(=O)CO2	951	Strange valence at S
CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1cccc(Cl)c1C)C(=O)CO2	952	Strange valence at S
CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=NCc1ccc(F)cc1)C(=O)CO2	953	Strange valence at S
CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=NC(C)CCc1ccccc1)C(=O)CO2	954	Strange valence at S
CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1cccc(Br)c1)C(=O)CO2	955	Strange valence at S
CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1cc(F)ccc1F)C(=O)CO2	956	Strange valence at S
CC[SH](=O)(O)c1ccc2c(c1)N(CC(=O)N1CCOc3ccc(C)cc31)C(=O)CO2	957	Strange valence at S
CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=NCCCc1ccccc1)C(=O)CO2	958	Strange valence at S
CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=NCc1ccc(OC)cc1)C(=O)CO2	959	Strange valence at S
CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=NCc1ccc(Cl)cc1)C(=O)CO2	960	Strange valence at S
CC[SH](=O)(O)c1ccc2c(c1)N(CC(=O)Nc1ccc(C(C)=O)cc1)C(=O)CO2	961	Strange valence at S
CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=NCc1cccc(OC)c1OC)C(=O)CO2	962	Strange valence at S
CC[SH](=O)(O)c1ccc2c(c1)N(CC(=O)N1CCN(c3ccc(F)cc3)CC1)C(=O)CO2	963	Strange valence at S
CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1cccc(F)c1)C(=O)CO2	964	Strange valence at S
CC[SH](=O)(O)c1ccc2c(c1)N(CC(=O)Nc1ccc(C(=O)OC)cc1)C(=O)CO2	965	Strange valence at S
CC[SH](=O)(O)c1ccc2c(c1)N(CC(=O)N1CCN(c3ccccc3F)CC1)C(=O)CO2	966	Strange valence at S
CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=NCc1ccc3c(c1)OCO3)C(=O)CO2	967	Strange valence at S
CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1cccc(C)c1C)C(=O)CO2	968	Strange valence at S
CC[SH](=O)(O)c1ccc2c(c1)N(CC(=O)N(C)c1cccc(C)c1)C(=O)CO2	969	Strange valence at S
CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1ccc3c(c1)OCCO3)C(=O)CO2	970	Strange valence at S
CC[SH](=O)(O)c1ccc2c(c1)N(CC(=O)N1CCN(c3ccc(OC)cc3)CC1)C(=O)CO2	971	Strange valence at S
CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1cc(C)ccc1OC)C(=O)CO2	972	Strange valence at S
CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1cc(OC)c(OC)c(OC)c1)C(=O)CO2	973	Strange valence at S
CC[SH](=O)(O)c1ccc2c(c1)N(CC(=O)N1CCc3ccccc31)C(=O)CO2	974	Strange valence at S
CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1cccc(C(C)C)c1)C(=O)CO2	975	Strange valence at S
CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1cccc(C#N)c1)C(=O)CO2	976	Strange valence at S
CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=NCc1ccc(OC)c(OC)c1)C(=O)CO2	977	Strange valence at S
CC[SH](=O)(O)c1ccc2c(c1)N(CC(=O)Nc1ccc(F)cc1C)C(=O)CO2	978	Strange valence at S
CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1c(C)cccc1Cl)C(=O)CO2	979	Strange valence at S
CC[SH](=O)(O)c1ccc2c(c1)N(CC(=O)Nc1ccc(Br)cc1C)C(=O)CO2	980	Strange valence at S
CCCCc1ccc(NC(=O)CN2C(=O)COc3ccc([SH](=O)(O)CC)cc32)cc1	981	Strange valence at S
CC[SH](=O)(O)c1ccc2c(c1)N(CC(=O)N(C)c1cccc(Cl)c1)C(=O)CO2	982	Strange valence at S
CC[SH](=O)(O)c1ccc2c(c1)N(CC(=O)Nc1ccc(Oc3ccccc3)cc1)C(=O)CO2	983	Strange valence at S
CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1ccc(F)c(F)c1)C(=O)CO2	984	Strange valence at S
CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1ccc(OC)c(F)c1)C(=O)CO2	985	Strange valence at S
CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1ccc(Cl)c(Cl)c1)C(=O)CO2	986	Strange valence at S
CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1ccc(F)cc1Cl)C(=O)CO2	987	Strange valence at S
CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1cc(F)ccc1Cl)C(=O)CO2	988	Strange valence at S
CC[SH](=O)(O)c1ccc2c(c1)N(CC(=O)Nc1ccc(C(F)(F)F)cc1)C(=O)CO2	989	Strange valence at S
CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=NCc1ccc(F)cc1Cl)C(=O)CO2	990	Strange valence at S
CC1=C[N+](=C(C([S-])=Nc2ccc(OC(F)F)cc2)C(O)=C2C=CC(=[Br+])S2)[CH-]C=C1	987	Strange valence at Br
OC(=C1C=CC(=[Br+])C=C1)C(C([S-])=Nc1ccc(OC(F)F)cc1)=[N+]1C=CC=C[CH-]1	986	Strange valence at Br
CN1C(=C2C=CC(=[F+])C=C2)N(C)c2ccccc21	849	Strange valence at F
CN1CCN2C(=[Br+])C=C(Br)C2=C1c1ccccc1	314	Strange valence at Br
CC(=O)[NH+]=C1C=CC(=C2[CH-][n+]3ccc4ccccc4c3N2C)C=C1	643	Error in aromatic system
CC(=O)[NH+]=C1C=CC(=C2[CH-][n+]3c(ccc4ccccc43)N2C)C=C1	644	Error in aromatic system
CC(=O)[NH+]=C1C=CC(=C2[CH-][n+]3cc(I)ccc3N2C)C=C1	645	Error in aromatic system
CC(=O)[NH+]=C1C=CC(=C2[CH-][n+]3cc(Sc4ccccc4)ccc3N2C)C=C1	646	Error in aromatic system
C=CCn1c(=C2C=CC(=[NH+]C(=O)CC)C=C2)c[n+]2c1=CC=C[CH-]2	647	Error in aromatic system
C=CCn1c(=C2C=CC(=[NH+]C(=O)CCC)C=C2)c[n+]2c1=CC=C[CH-]2	648	Error in aromatic system
C=CCn1c(=C2C=CC(=[NH+]C(=O)COC)C=C2)c[n+]2c1=CC=C[CH-]2	649	Error in aromatic system
CC(=O)[NH+]=C1C=CC(=C2[CH-][n+]3ccsc3N2C)C=C1	653	Error in aromatic system
C=CCn1c(=C2C=CC(=[NH+]C(C)=O)C=C2)c[n+]2c1=CC=C[CH-]2	655	Error in aromatic system
CC(=O)[NH+]=C1C=CC(=C2[CH-][n+]3cc(C)c(C)cc3N2C)C=C1	657	Error in aromatic system
CC(=O)[NH+]=C1C=CC(=C2[CH-][N+](C)=CN2C)C=C1	660	Error in aromatic system
CC(=O)[NH+]=C1C=CC(=C2[CH-][n+]3cc(C)ccc3N2C)C=C1	663	Error in aromatic system
COC(=O)/C1=C(\N2CCOCC2)CCCC\C=C/1C(=O)OC	1308	SMILES ERROR - Inconsistent EZ stereo information
CCCCn1c(N=C(O)/C=C/c2cccc([N+](=O)[O-])c2)c([SH](=O)(O)c2ccccc2)c2nc3ccccc3nc21	774	Strange valence at S
O=C(CN1C=CC(=C(O)[N-]Cc2ccccc2)C=C1)[NH+]=C1C=CC(=[Cl+])C=C1	1188	Strange valence at Cl
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	1800	SMILES ERROR - Inconsistent EZ stereo information
O=C(CN1CCCCC1)N1[N+]=C2c3ccccc3CCC2C1c1cccs1	1658	Strange valence at N
O=[SH](O)(Cl)Cc1ccc(F)cc1Cl	942	Strange valence at S
CC1=[N+]=NC(NNC=C2C=CC(c3ccc(Cl)c(C(F)(F)F)c3)=[O+]2)=[N+]1N	332	Strange valence at N
CC1=CC(c2ccc(Br)cc2)=CC(=C2C=CC(=[Br+])C=C2)O1	1248	Strange valence at Br
CN1C(=C2C=CC(=[F+])C=C2)N(C)c2ccccc21	224	Strange valence at F
[F+]=C1C=CC(=C2C=CN3C=C(Cl)C=CC3=N2)C=C1	262	Strange valence at F
CN(C)C=C1CCN(c2ccccc2Cl)C1=[Cl+]	178	Strange valence at Cl
CC1CCC(C(C)C)C(OC(=O)CN2C(=C3C=CC(=[F+])C=C3)N(C)c3ccccc32)C1	1054	Strange valence at F
CC1CCC(C(C)C)C(OC(=O)CN2C(=C3C=CC(=[Cl+])C=C3)N(C)c3ccccc32)C1	1055	Strange valence at Cl
O=[n+]1nc2n(c3ccccc31)[N]N=C2c1ccc(F)cc1	8	Error in aromatic system
COc1ccc(C2=N[N]n3c2n[n+](=O)c2ccccc23)cc1	9	Error in aromatic system
O=[n+]1nc2n(c3ccccc31)[N]N=C2c1c(Cl)cccc1Cl	48	Error in aromatic system
[Cl+]=C1C=CC(=C2C=CN3C=CC=CC3=N2)C=C1	116	Strange valence at Cl
[Br+]=C1C=CC(=C2C=CN3C=CC=CC3=N2)C=C1	118	Strange valence at Br
ClC1=CN2C=CC(=C3C=CC(=[Cl+])C=C3)N=C2C=C1	120	Strange valence at Cl
CC1=CC(c2ccc(Cl)cc2)=CC(=C2C=CC(=[Cl+])C=C2)O1	457	Strange valence at Cl
CCCCn1c(C)c2cccc3c2c1C=CC3=[Cl+]	624	Strange valence at Cl
COc1cc2[n+](=O)onc-2n2c1N=N[N]2	1586	Error in aromatic system
CN1C(=C2C=CC(=[Cl+])C=C2)N(C)c2ccccc21	1406	Strange valence at Cl
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	1275	SMILES ERROR - Inconsistent EZ stereo information
COC(=O)C1=[N+]([O-])c2cc(Cl)c(Cl)cc2[NH+]([O-])C1=O	232	Strange valence at N
CC[S](=O)(O)N1CCC(NC(O)=NCc2cccnc2)CC1	142	Strange valence at S
CC[S](=O)(O)N1CCC(NC(O)=NCc2ccccn2)CC1	143	Strange valence at S
CC1=CC2=NCC(CNCc3ccc(OC4CCCC4)nc3)CN2[N]1	1564	Error in aromatic system
COc1ccc(C)cc1C(C)NCC1CN=C2C=C(C)[N]N2C1	1566	Error in aromatic system
CC1=CC2=NCC(CNCC(c3ccco3)N3CCCCC3)CN2[N]1	1569	Error in aromatic system
CC1=CC2=NCC(CNC3CCN(Cc4ccccn4)CC3)CN2[N]1	1570	Error in aromatic system
CCN(CC)c1ccc(C(=O)N2[N]C(c3ccccn3)=NC2=N)cn1	1648	Error in aromatic system
CC1CCC(C(C)C)C(OC(=O)CN2C(=C3C=CC(=[Br+])C=C3)N(C)c3ccccc32)C1	1390	Strange valence at Br
CC1CCC(C(C)C)C(OC(=O)CN2C(=C3C=CC(=[Cl+])C=C3)N(C)c3ccccc32)C1	1394	Strange valence at Cl
CC1CCC(C(C)C)C(OC(=O)CN2C(=C3C=CC(=[F+])C=C3)N(C)c3ccccc32)C1	1395	Strange valence at F
COC(O)=C1C=C[CH-][N+](CC(=O)N=C2C=CC(=[O+]C(F)F)C=C2)=C1	1683	Error in aromatic system
O=C(C[NH+]1C=CC=CC1=[Cl+])[N-]c1ccc(OC(F)F)cc1	1737	Strange valence at Cl
C=CCNC([S-])=C(C([O-])=C1C=CC(=[F+])C=C1)[n+]1cccc(C)c1	553	Strange valence at F
CCN(C=CC(Cl)=C1C=CC(=[Br+])C=C1)CC	317	Strange valence at Br
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+]	1013	Strange valence at F