smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc2nc(-c3ccc(/N=C/c4cccc([O-])c4O)cc3)sc2c1	ZINC000001227803	210336788	/nfs/dbraw/zinc/33/67/88/210336788.db2.gz	BJSTUWLAJKAZSO-WSDLNYQXSA-N	-1	3	360.438	5.434	10	30		FKEEHM
CCN(CC)c1ccc(/C=N/c2ccc(Oc3ccccc3)cc2)c([O-])c1	ZINC000001228026	520883170	/nfs/dbraw/zinc/88/31/70/520883170.db2.gz	KLSFIGKLSSGYFN-JJIBRWJFSA-N	-1	3	360.457	5.781	10	30		FKEEHM
[O-]c1ccccc1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@H]3C=CC[C@H]32)cc1	ZINC000004181640	210514515	/nfs/dbraw/zinc/51/45/15/210514515.db2.gz	NEGMCPBIEUXOAG-DSFGOLIASA-N	-1	3	366.464	5.969	10	30		FKEEHM
[O-]c1ccccc1/C=N/c1ccc([C@H]2Nc3ccccc3[C@H]3C=CC[C@@H]32)cc1	ZINC000004181641	204126033	/nfs/dbraw/zinc/12/60/33/204126033.db2.gz	NEGMCPBIEUXOAG-YJBCMRPPSA-N	-1	3	366.464	5.969	10	30		FKEEHM
[O-]c1ccccc1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@H]3C=CC[C@@H]32)cc1	ZINC000004181642	207006316	/nfs/dbraw/zinc/00/63/16/207006316.db2.gz	NEGMCPBIEUXOAG-JBUVYWMZSA-N	-1	3	366.464	5.969	10	30		FKEEHM
CC(=NNc1c(Cl)cc(Cl)cc1Cl)c1cc(Cl)ccc1[O-]	ZINC000004300168	207011533	/nfs/dbraw/zinc/01/15/33/207011533.db2.gz	CYVDGZYJHHYIIU-FBCYGCLPSA-N	-1	3	364.059	5.842	10	30		FKEEHM
CSc1cccc2sc([N-]c3sc4c(c3C#N)CCCC4)nc21	ZINC000005122800	207082265	/nfs/dbraw/zinc/08/22/65/207082265.db2.gz	XYPQMSWPPABXHX-UHFFFAOYSA-N	-1	3	357.529	5.574	10	30		FKEEHM
CC[C@]1(C)C[C@](CC/N=C/c2ccccc2[O-])(c2ccc(F)cc2)CCO1	ZINC000005719070	570633780	/nfs/dbraw/zinc/63/37/80/570633780.db2.gz	TYKGSDXLJOYBRK-NHNPKLJZSA-N	-1	3	369.480	5.257	10	30		FKEEHM
CC[C@@]1(C)C[C@](CC/N=C/c2ccccc2[O-])(c2ccc(F)cc2)CCO1	ZINC000005719179	207113173	/nfs/dbraw/zinc/11/31/73/207113173.db2.gz	TYKGSDXLJOYBRK-UHSPTLNFSA-N	-1	3	369.480	5.257	10	30		FKEEHM
CCOc1cc(/C=N\[O-])cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	ZINC000011799014	210101202	/nfs/dbraw/zinc/10/12/02/210101202.db2.gz	IPGILLIXXLKGPL-ZBKNUEDVSA-N	-1	3	374.651	5.433	10	30		FKEEHM
COc1cc(/C=N/[O-])cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	ZINC000011828810	263368312	/nfs/dbraw/zinc/36/83/12/263368312.db2.gz	DXXSQEUIMGJGHL-FBCYGCLPSA-N	-1	3	360.624	5.043	10	30		FKEEHM
CCN1C(=O)/C(=C/c2cccc3ccccc23)S/C1=N\c1cccc([O-])c1	ZINC000016935834	211173932	/nfs/dbraw/zinc/17/39/32/211173932.db2.gz	GCVMEFSIEZWVIT-JDJFWADASA-N	-1	3	374.465	5.169	10	30		FKEEHM
CCCCCCCCCCC[C@@H]1CC([O-])=C(CCCCCC)C(=O)O1	ZINC000097978723	209200578	/nfs/dbraw/zinc/20/05/78/209200578.db2.gz	TYBPYMSSRRRYRQ-UXHICEINSA-N	-1	3	352.559	6.379	10	30		FKEEHM
[O-]c1ccc(Br)cc1/C=N/c1ccc(Nc2ccccc2)cc1	ZINC000100032133	222233530	/nfs/dbraw/zinc/23/35/30/222233530.db2.gz	GRRPFNIFCLLLOE-FYJGNVAPSA-N	-1	3	367.246	5.649	10	30		FKEEHM
CCCCCCCCCCCCCCC/C(=N/[O-])c1cc(C)ccc1O	ZINC000100166865	519988477	/nfs/dbraw/zinc/98/84/77/519988477.db2.gz	FAAJNIKXSIUEQE-GYHWCHFESA-N	-1	3	361.570	7.360	10	30		FKEEHM
COc1cc(/C=N/c2ccc(Cl)cc2C(=O)c2ccccc2)ccc1[O-]	ZINC000100298327	222240843	/nfs/dbraw/zinc/24/08/43/222240843.db2.gz	GZNVOAGYOMSKDB-YDZHTSKRSA-N	-1	3	365.816	5.036	10	30		FKEEHM
CC[C@]1(C)C[C@@](CC/N=C/c2ccccc2[O-])(c2ccc(F)cc2)CCO1	ZINC000103617178	222339788	/nfs/dbraw/zinc/33/97/88/222339788.db2.gz	TYKGSDXLJOYBRK-WKYWJJLXSA-N	-1	3	369.480	5.257	10	30		FKEEHM
CC[C@@]1(C)C[C@@](CC/N=C/c2ccccc2[O-])(c2ccc(F)cc2)CCO1	ZINC000103617181	209254971	/nfs/dbraw/zinc/25/49/71/209254971.db2.gz	TYKGSDXLJOYBRK-LSQILKJHSA-N	-1	3	369.480	5.257	10	30		FKEEHM
CCCCCCCCCCCCCCCCC/C(=N\[O-])c1ccccc1	ZINC000105011705	519990316	/nfs/dbraw/zinc/99/03/16/519990316.db2.gz	XPKVELNJNRMLPK-OCOZRVBESA-N	-1	3	359.598	8.126	10	30		FKEEHM
[O-]/N=C\c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1	ZINC000226327416	527589117	/nfs/dbraw/zinc/58/91/17/527589117.db2.gz	UDMKVQCAXYCBIK-SWNXQHNESA-N	-1	3	365.043	5.687	10	30		FKEEHM
CC(=NNc1c(Cl)cc(Cl)cc1Cl)c1cc(Cl)ccc1[O-]	ZINC000254882955	519351997	/nfs/dbraw/zinc/35/19/97/519351997.db2.gz	CYVDGZYJHHYIIU-UHFFFAOYSA-N	-1	3	364.059	5.842	10	30		FKEEHM
O=[N+]([O-])c1ccc(C=N[N-]c2nc3c(cc(Cl)cc3Cl)s2)s1	ZINC000263625813	571318507	/nfs/dbraw/zinc/31/85/07/571318507.db2.gz	PMTUGDRYGZSCAB-UHFFFAOYSA-N	-1	3	373.246	5.019	10	30		FKEEHM