smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CS(=O)(=O)Nc1ccc(C(=N)NOC(=O)c2ccccc2Cl)cc1	3129668	GFYZFVZMJBIHMN-UHFFFAOYSA-N	367.814	2.398	30	30	FEEC	
N/C(CS(=O)(=O)c1ccc(F)cc1)=N\OC(=O)c1ccc(Cl)cc1	4363246	PQQHRENZAQIELQ-UHFFFAOYSA-N	370.789	2.382	30	30	FEEC	
C=CC[N@+]12CC[C@]34c5c6ccc(OC)c5O[C@H]3C(=O)CC[C@@]4(OC1)[C@H]2C6	2265352244	XQYWDSOEQBHABV-UGTAXJHQSA-N	354.426	2.115	30	30	FEEC	
COC(=O)[C@@H](C=NOCc1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1	254708037	RYBDGPZAUQWHPT-MRXNPFEDSA-N	371.349	2.069	30	30	FEEC	
C=C(C)C(=O)OC[C@@H](O)COc1ccc(C(=O)c2ccccc2)c(O)c1	2521575	FCRMARSNWJWNPW-HNNXBMFYSA-N	356.374	2.482	30	30	FEEC	
C[C@H]1CN(/C(N)=N/S(=O)(=O)c2ccc(Cl)c(Cl)c2)C[C@H](C)O1	35587110	YGUYWXXVROKBPC-IUCAKERBSA-N	366.270	2.106	30	30	FEEC	
C[C@H]1CN(/C(N)=N/S(=O)(=O)c2ccc(Cl)c(Cl)c2)C[C@@H](C)O1	20421156	YGUYWXXVROKBPC-DTORHVGOSA-N	366.270	2.106	30	30	FEEC	
C/C(=N\NC(=S)N[C@@H]1C[C@H]2C=C[C@H]1C2)c1ccccc1OCC(=O)O	100242127	AFCMHIVEJSKNCJ-QYWJXTSOSA-N	359.451	2.303	30	30	FEEC	
COc1cc(/C=N/N=C(/S)NC[C@@H]2CCCO2)cc(OC)c1OC	13658764	JMIKETZXJPBZNZ-BEAUZRKQSA-N	353.444	2.101	30	30	FEEC	
COc1ccc(NN=C(C#N)S(=O)(=O)c2nsc(C)c2C#N)cc1	254515132	ZACZWHZUNJGHST-UHFFFAOYSA-N	361.408	2.055	30	30	FEEC	
COc1cc(/C=N/NC(=S)N[C@@H]2C[C@H]3C=C[C@H]2C3)cc(OC)c1OC	100242556	KTYWYQHDGYWPLM-PSOUNDIXSA-N	361.467	2.475	30	30	FEEC	
N=c1c2cnn(-c3ccccc3)c2ncn1/N=C/c1ccc([N+](=O)[O-])cc1	4334459	ZBYKFSSNPZBHAR-IJXYPBBVSA-N	359.349	2.492	30	30	FEEC	
N#Cc1ccc(N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)nc1	20230279	WVQKAEBGGAMMDB-UHFFFAOYSA-N	362.842	2.118	30	30	FEEC	
Cc1ccc(S(=O)(=O)COS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	32192292	YCZFYEXRDGVUNS-UHFFFAOYSA-N	371.392	2.040	30	30	FEEC	
COc1ccc(C[C@@](C)(C#N)N[C@H](C(N)=O)c2ccccc2)cc1OC	585655972	PZBBUTYGHXSYTE-ICSRJNTNSA-N	353.422	2.345	30	30	FEEC	
Cc1ccc(S(=O)(=O)/N=C(\O)NCCCNC(=O)OC(C)(C)C)cc1	3078872	AYRRWVJVMUGXQC-UHFFFAOYSA-N	371.459	2.102	30	30	FEEC	
COc1cc(/C=N/NC(=S)N[C@H]2C[C@H]3C=C[C@H]2C3)cc(OC)c1OC	100242559	KTYWYQHDGYWPLM-REIYERTRSA-N	361.467	2.475	30	30	FEEC	
[N-]=[N+]=Nc1c(F)c(F)c(CNC(=O)CCN2C(=O)C=CC2=O)c(F)c1F	33753325	QHTHQICZOPOYCT-UHFFFAOYSA-N	371.250	2.116	30	30	FEEC	
C/C(=N\O)c1cccc(OC[C@@H](O)CN2CCN(c3ccccc3)CC2)c1	111370361	YBRZKPVTDONBOC-RWVGPTSPSA-N	369.465	2.447	30	30	FEEC	
CC(=O)C1=C(C)Nc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccc(Cl)cc1	90487018	ZWRBYANSZDSCGG-CQSZACIVSA-N	359.813	2.158	30	30	FEEC	
CC#CC(=O)N[C@@H]1CCCN(c2c(F)cc(C(N)=O)c3[nH]c(C)c(C)c23)C1	1775937825	VJPPLCNBDLZIFG-CYBMUJFWSA-N	370.428	2.131	30	30	FEEC	
COC(=O)c1sccc1N/N=C(\C#N)S(=O)(=O)c1cccs1	2151682	TYAUIXPYQSXZBS-OQLLNIDSSA-N	355.422	2.319	30	30	FEEC	
N#Cc1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)nc1	20230281	HUEGMGSSYHDJHM-UHFFFAOYSA-N	362.842	2.118	30	30	FEEC	
Cc1ccc(O)c(NN=C2C(=O)C=C(S(=O)(=O)O)c3ccccc32)c1	256166458	ASFVMSDYPYMUFL-UHFFFAOYSA-N	358.375	2.328	30	30	FEEC	
C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)CC(=O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12	4744090	SVYCRJXQZUCUND-PQXSVQADSA-N	372.461	2.012	30	30	FEEC	world
C=C(C)[C@@](O)(C(=O)O[C@H]1CN2CCC1CC2)c1ccc(OC)c(OC)c1	5195205	BNBJDLBOPYZXIM-ICSRJNTNSA-N	361.438	2.105	30	30	FEEC	
COc1cc(C=NNC(N)=S)ccc1OCc1ccc(Cl)nc1	254520242	BJPNNELALOCMFI-UHFFFAOYSA-N	350.831	2.490	30	30	FEEC	
C[C@@H](Oc1ccc([N+](=O)[O-])cc1)c1ccnc2nc(N=CN(C)C)nn12	254300298	QGXKHEPKTZTBLE-LLVKDONJSA-N	355.358	2.394	30	30	FEEC	
CC(C)[C@@H]1C[C@@]2(/C=C3/Nc4ccccc4C3=O)NC(=O)[C@@]13CCCN3C2=O	6036025	VUYPQWOUMOQTJW-QYWNKFSKSA-N	365.433	2.084	30	30	FEEC	
CO/N=C(\C(=S)Oc1nc2ccccc2s1)c1nsc(N)n1	45329631	GHDUAGSTTYWNFN-PXNMLYILSA-N	351.438	2.487	30	30	FEEC	
CO/N=C(/C(=S)Oc1nc2ccccc2s1)c1nsc(N)n1	45329628	GHDUAGSTTYWNFN-LZYBPNLTSA-N	351.438	2.487	30	30	FEEC	
C=CC[N@@+]12CC[C@]34c5c6ccc(OC)c5O[C@H]3C(=O)CC[C@@]4(OC1)[C@H]2C6	2265352245	XQYWDSOEQBHABV-WIXLDOGYSA-N	354.426	2.115	30	30	FEEC	
CON=C(C)c1cccc(Oc2nc(OC)cc(OC)n2)c1C(=O)OC	256005139	USSIUIGPBLPCDF-UHFFFAOYSA-N	361.354	2.443	30	30	FEEC	
CC(=O)ON(CC(=O)Nc1ccccc1C(=O)c1ccccc1)C(C)=O	4344458	ICVDZSJAANWVMP-UHFFFAOYSA-N	354.362	2.183	30	30	FEEC	
COC(=O)[C@H](C=NOCc1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1	254708036	RYBDGPZAUQWHPT-INIZCTEOSA-N	371.349	2.069	30	30	FEEC	
CNC(=S)NN=Cc1cc(Br)cc(Br)c1O	254385294	KLONKKLSBDSLRJ-UHFFFAOYSA-N	367.066	2.345	30	30	FEEC	
COC(=O)c1cnn(-c2ccccc2)c1/C=N/NC(=S)NC(C)(C)C	1031801	JIEPSNISSOTRTM-WOJGMQOQSA-N	359.455	2.255	30	30	FEEC	
CO/N=C(/C)c1cccc(Oc2nc(OC)cc(OC)n2)c1C(=O)OC	33985685	USSIUIGPBLPCDF-JMIUGGIZSA-N	361.354	2.443	30	30	FEEC	
CN(C)c1ccc(C2=C(O)/C(=C3\C=CC(=[N+](C)C)C=C3O)C2=O)c(O)c1	72266003	LBEINYOISMBPLS-UHFFFAOYSA-O	353.398	2.331	30	30	FEEC	
Cc1ccc(S(=O)(=O)OC[C@@H]2COc3cc4c(cc3O2)OCO4)cc1	4336622	XPXVMGUMYJQFGF-LBPRGKRZSA-N	364.375	2.269	30	30	FEEC	
CCOC(=O)c1nnn2c1nc(N/N=C/c1ccncc1)c1ccccc12	4335065	GJRADEUDHSDEOG-RGVLZGJSSA-N	361.365	2.295	30	30	FEEC	
O=C1N=C(N/N=C\c2n[nH]cc2Br)S[C@@H]1c1ccccc1	13467824	ICRSSCZXMZQHBY-CRZGJZTJSA-N	364.228	2.466	30	30	FEEC	
N#Cc1cccc(C#N)c1Oc1ccc(S(=O)(=O)N2CCOCC2)cc1	1024229	HJRNPWDDKFBVJO-UHFFFAOYSA-N	369.402	2.243	30	30	FEEC	
Cn1nc2c(c1B1OC(C)(C)C(C)(C)O1)CN(C(=O)OC(C)(C)C)CC2	206064113	OQWACQGJNXGPBO-UHFFFAOYSA-N	363.267	2.013	30	30	FEEC	
CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)ON2C(=O)c3ccccc3C2=O)C1	1772786631	WILLJCBWFCKAFV-GFCCVEGCSA-N	374.393	2.388	30	30	FEEC	
C#CCOCC(=O)N(C)Cc1ccc(C(=O)Nc2ccccc2N)cc1	2265385403	SSZDCLWUFOEEDT-UHFFFAOYSA-N	351.406	2.129	30	30	FEEC	
C=C[C@H]1C[N@@+]2([O-])CC[C@H]1C[C@H]2[C@H](O)c1cc[n+]([O-])c2ccc(OC)cc12	247917754	BTIIQUQYRAFYJP-YAMSMFKTSA-N	356.422	2.424	30	30	FEEC	in-vitro
C[C@H](Oc1ccc([N+](=O)[O-])cc1)c1ccnc2nc(N=CN(C)C)nn12	254300299	QGXKHEPKTZTBLE-NSHDSACASA-N	355.358	2.394	30	30	FEEC	
C=CCO[C@H]1[C@@H]2O[C@@H](c3ccccc3)OC[C@@H]2O[C@@H](N=[N+]=[N-])[C@H]1NC(C)=O	72099125	TUASEOJDNWKJMN-MNWMBMHPSA-N	374.397	2.212	30	30	FEEC	
CC(=NOC(=O)N(C)C)c1ncc(C(F)(F)F)cc1N1CCOCC1	254875090	WHJXDKRNZWWSSU-UHFFFAOYSA-N	360.336	2.359	30	30	FEEC	
C[C@@H]1CN(/C(N)=N\S(=O)(=O)c2ccc(Cl)c(Cl)c2)C[C@@H](C)O1	20421154	YGUYWXXVROKBPC-RKDXNWHRSA-N	366.270	2.106	30	30	FEEC	
C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C(C(=O)O)=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C	4214283	JOFBZBDWOWPUMO-QARKFJNLSA-N	360.450	2.471	30	30	FEEC	biogenic,in-man
CC(=O)ON1C(=O)N(C(C)=O)C(c2ccccc2)(c2ccccc2)C1=O	2002325	ZPIUYDNKYPLEMR-UHFFFAOYSA-N	352.346	2.219	30	30	FEEC	
CS(=O)(=O)ON=C1CCCC[C@H]1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	254512987	AOJPYDQDIMVJSV-JTQLQIEISA-N	357.344	2.493	30	30	FEEC	
Cc1ccc(NN=C2C(=O)N(CN3CCOCC3)c3ccccc32)cc1	254671962	XTDPXPKJEZLNQO-UHFFFAOYSA-N	350.422	2.448	30	30	FEEC	
C=C(C)C(=O)OC[C@H](O)COc1ccc(C(=O)c2ccccc2)c(O)c1	5158231	FCRMARSNWJWNPW-OAHLLOKOSA-N	356.374	2.482	30	30	FEEC	
C=C[C@H]1C[N@+]2([O-])CC[C@H]1C[C@H]2[C@H](O)c1cc[n+]([O-])c2ccc(OC)cc12	247917752	BTIIQUQYRAFYJP-CURGQOQWSA-N	356.422	2.424	30	30	FEEC	in-vitro
CS(=O)(=O)ON=C1CCCC[C@@H]1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	254512989	AOJPYDQDIMVJSV-SNVBAGLBSA-N	357.344	2.493	30	30	FEEC	
C=C(C)[C@@](O)(C(=O)O[C@@H]1CN2CCC1CC2)c1ccc(OC)c(OC)c1	5195198	BNBJDLBOPYZXIM-QUCCMNQESA-N	361.438	2.105	30	30	FEEC	
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)/N=C(\N)N1CCOCC1	20421151	YNNAUROFSFOITK-UHFFFAOYSA-N	366.780	2.230	30	30	FEEC	
Cc1ccc(NC(=O)ONC(=N)c2ccc(NS(C)(=O)=O)cc2)cc1	3129670	RGWFUANHUGHNQV-UHFFFAOYSA-N	362.411	2.445	30	30	FEEC	
N#Cc1cccnc1S(=O)(=O)CCOC(=O)c1cccc(Cl)c1	1046950	NMDFABNSDOKRDK-UHFFFAOYSA-N	350.783	2.237	30	30	FEEC	
CCCCCCCCCCCCCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	137238654	IEGRYKCSNXRFCZ-FQBWVUSXSA-N	362.507	2.114	30	30	FEEC	
N/C(Cc1ccc(-c2csnn2)cc1)=N/OC(=O)c1ccc([N+](=O)[O-])o1	12368881	QQKXPAQEXNHFGY-UHFFFAOYSA-N	373.350	2.378	30	30	FEEC	
O=c1c2cnn(-c3ccccc3)c2ncn1/N=C/c1ccc([N+](=O)[O-])cc1	1033656	PECZNELOJBSODG-KEBDBYFISA-N	360.333	2.373	30	30	FEEC	
CN1C(=C(O)Nc2ccccn2)C(=O)c2sc(Cl)cc2S1(=O)=O	2265369611	OXROWJKCGCOJDO-UHFFFAOYSA-N	371.827	2.453	30	30	FEEC	
COCCCNC(=S)N/N=C/c1ccc(OC)c(Br)c1	13658740	KDFYTGRHGWJNFJ-CXUHLZMHSA-N	360.277	2.292	30	30	FEEC	
CC(C)(C)OC(=O)N1CCC[C@H](C(=O)ON2C(=O)c3ccccc3C2=O)C1	1772786633	WILLJCBWFCKAFV-LBPRGKRZSA-N	374.393	2.388	30	30	FEEC	
COc1ccc(NC(C[N+](=O)[O-])=NNC=C2OC(=O)c3ccccc32)cc1	2265276421	PFXNTASTNNYCAL-UHFFFAOYSA-N	368.349	2.456	30	30	FEEC	
C=CCO[C@H]1[C@@H]2O[C@H](c3ccccc3)OC[C@@H]2O[C@@H](N=[N+]=[N-])[C@H]1NC(C)=O	1076446748	TUASEOJDNWKJMN-DWMDIXPDSA-N	374.397	2.212	30	30	FEEC	
CCCCCCCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	137210028	IEGRYKCSNXRFCZ-UJWQCDCRSA-N	362.507	2.114	30	30	FEEC	
CC(=O)C1=C(C)Nc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccc(Cl)cc1	90487013	ZWRBYANSZDSCGG-AWEZNQCLSA-N	359.813	2.158	30	30	FEEC	
CO[C@@]1(C)O[C@@H]2[C@H](OCc3ccccc3)OC[C@@H](C#N)[C@@H]2O[C@]1(C)OC	575627346	HMDRBGPOARVKLO-ATNRFADISA-N	363.410	2.208	30	30	FEEC	in-vitro
C#CCOc1ccc(Cl)cc1C=Nn1c(N)nc(C(F)(F)F)cc1=O	254713290	FAZRIWOZPJZWEH-UHFFFAOYSA-N	370.718	2.392	30	30	FEEC	
Cc1ccc(S(=O)(=O)OC2=CCN(C(=O)OC(C)(C)C)C2=O)cc1	306521361	KVBFEXGIBCFCBN-UHFFFAOYSA-N	353.396	2.362	30	30	FEEC	
CC(C)S(=O)(=O)C/C(N)=N/OC(=O)c1cc(Cl)cc(Cl)c1	4344854	UTDPHCRNYCHXDT-UHFFFAOYSA-N	353.227	2.246	30	30	FEEC	
O=S(=O)(/N=C(\N/N=C/c1ccccc1O)N1CCCC1)c1ccccc1	4322583	SKJHQBZJCNEPRQ-XMHGGMMESA-N	372.450	2.156	30	30	FEEC	
CN(C)c1ccc(C2=C(O)/C(=C3\C=CC(=[N+](C)C)S3)C(=O)C2=O)s1	22007907	GTSALPRZWAXKTH-UHFFFAOYSA-O	361.468	2.463	30	30	FEEC	
Cc1sc2c(c1C)C(=O)/C(=C\Nc1ncccn1)S(=O)(=O)N2C	4697025	OCJYDENOOCAELU-JXMROGBWSA-N	350.425	2.071	30	30	FEEC	
C=C(C)[C@](O)(C(=O)O[C@H]1CN2CCC1CC2)c1ccc(OC)c(OC)c1	2011847	BNBJDLBOPYZXIM-AZUAARDMSA-N	361.438	2.105	30	30	FEEC	
C/C(=N\NC(=S)N[C@H]1C[C@H]2C=C[C@H]1C2)c1ccccc1OCC(=O)O	100242128	AFCMHIVEJSKNCJ-OTPMKWMYSA-N	359.451	2.303	30	30	FEEC	
CCOC(=O)c1c(C)n[nH]c1N/N=C/c1cc(OC)c(OC)c(OC)c1	4337428	KRWVRGBWFIJLQM-GIJQJNRQSA-N	362.386	2.367	30	30	FEEC	
C=C(C)[C@](O)(C(=O)O[C@@H]1CN2CCC1CC2)c1ccc(OC)c(OC)c1	2011849	BNBJDLBOPYZXIM-UYAOXDASSA-N	361.438	2.105	30	30	FEEC	
CCOC(=O)c1nc(Br)ccc1B1OC(C)(C)C(C)(C)O1	309923319	RXBCATQFBFMQCB-UHFFFAOYSA-N	356.025	2.320	30	30	FEEC	
CC(C)(C)OC(=O)NCCCCCCCC(=O)ON1C(=O)CCC1=O	725240053	VWJIIRILMYJMEF-UHFFFAOYSA-N	356.419	2.459	30	30	FEEC	
Cc1ccc(S(=O)(=O)OC2COc3cc4c(cc3OC2)OCO4)cc1	4321893	QGXCKQXTNFNDRP-UHFFFAOYSA-N	364.375	2.269	30	30	FEEC	
Cc1nn(C)c(C(=O)O/N=C(\N)c2ccc(C(C)(C)C)cc2)c1[N+](=O)[O-]	15924128	RVHMCOFYKSIFJV-UHFFFAOYSA-N	359.386	2.412	30	30	FEEC	
O=C1N=C(N/N=C\c2n[nH]cc2Br)S[C@H]1c1ccccc1	12368184	ICRSSCZXMZQHBY-FQKZPNAISA-N	364.228	2.466	30	30	FEEC	
COc1ccc(-c2cnc3nc(N=CN(C)C)nn3c2N=CN(C)C)cc1	254735080	STHVRRJPUDSEFZ-UHFFFAOYSA-N	366.429	2.243	30	30	FEEC	
C/C(=N\O)c1cccc(OC[C@H](O)CN2CCN(c3ccccc3)CC2)c1	111370358	YBRZKPVTDONBOC-LCMCWVSWSA-N	369.465	2.447	30	30	FEEC	
CC(C)(C)OC(=O)NC1CC(n2cc(B3OC(C)(C)C(C)(C)O3)cn2)C1	2114849237	BVHSOGNTFGTUJM-UHFFFAOYSA-N	363.267	2.411	30	30	FEEC	
O=C1C(=NNc2ccc(F)cc2)c2ccccc2N1CN1CCOCC1	254820217	SGNFAGGNBZCINO-UHFFFAOYSA-N	354.385	2.278	30	30	FEEC	
N#CCCN(CCc1ccccn1)S(=O)(=O)c1ccc2c(c1)CCO2	4307742	LRGFNAXMVPXIAO-UHFFFAOYSA-N	357.435	2.164	30	30	FEEC	
COc1ccc(S(=O)(=O)N(CCC#N)Cc2ccco2)cc1OC	3046266	FAQXODALVVHLBU-UHFFFAOYSA-N	350.396	2.401	30	30	FEEC	
Cc1nn(C)c(C(=O)O/N=C(\N)c2ccc(C(F)(F)F)cc2)c1[N+](=O)[O-]	15924130	MMSHSNAQLCIPRD-UHFFFAOYSA-N	371.275	2.133	30	30	FEEC	
N#CCCOCCOc1cc(O)c2c(c1N)C(=O)c1ccccc1C2=O	5422005	RTKVEWJRBWDVRC-UHFFFAOYSA-N	352.346	2.059	30	30	FEEC	
COc1cccc(C(=O)ON=C2CCS(=O)(=O)c3sccc32)c1	254706287	OVEGCBXVFMSVCJ-UHFFFAOYSA-N	351.405	2.495	30	30	FEEC	
COc1ccc(C(=O)ON=C2CCS(=O)(=O)c3sccc32)cc1	254381885	YGEOTMZIYIVDOT-UHFFFAOYSA-N	351.405	2.495	30	30	FEEC	
CC(=O)Nc1cccc(OCCCNS(=O)(=O)c2ccc(C#N)cc2)c1	4321599	UESJPJOVARKTPN-UHFFFAOYSA-N	373.434	2.264	30	30	FEEC	
C[C@@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)CC(=O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12	97975464	SVYCRJXQZUCUND-QQVOSXMISA-N	372.461	2.012	30	30	FEEC	
O=C1NC(c2ccccc2)=C(C(=O)Nc2ccc(Br)cc2)C1=O	3129072	ZDBVWVWAEDXEOX-UHFFFAOYSA-N	371.190	2.498	30	30	FEEC	
CS(=O)(=O)Nc1ccc(C(=N)NOC(=O)c2ccc(Cl)cc2)cc1	3129665	TZANGPISUITKAJ-UHFFFAOYSA-N	367.814	2.398	30	30	FEEC	
Cc1cc(C)nc(N/C=C2\C(=O)c3sccc3N(C)S2(=O)=O)n1	13466168	GAMRCBKBGBMKGZ-YRNVUSSQSA-N	350.425	2.071	30	30	FEEC	
Cc1noc(C)c1C(=O)O/N=C(\N)Cc1ccc(-c2csnn2)cc1	4389553	VZCDLTFYDVPNFT-UHFFFAOYSA-N	357.395	2.482	30	30	FEEC	
CCCCCCCC1=NCCN1CCN(CCC(=O)O)CCC(=O)O	103841019	VXWCUMLZBRJYFU-UHFFFAOYSA-N	355.479	2.312	30	30	FEEC