smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)(C)CC(=O)Nc1c(F)cc(C(=O)/N=c2\sccn2CO[P@@](=O)([O-])O)cc1F	ZINC000036517968	563130620	/nfs/dbraw/zinc/13/06/20/563130620.db2.gz	MSWIQSFUBYCFJE-PGMHBOJBSA-N	-1	2	463.399	3.010	40	0	in-vitro	JGABLM
CC(C)(C)CC(=O)Nc1c(F)cc(C(=O)/N=c2\sccn2CO[P@](=O)([O-])O)cc1F	ZINC000036517968	563130622	/nfs/dbraw/zinc/13/06/22/563130622.db2.gz	MSWIQSFUBYCFJE-PGMHBOJBSA-N	-1	2	463.399	3.010	40	0	in-vitro	JGABLM
Cc1nnc(SC(=Cc2cc(Br)c(O)c(I)c2)C(=O)[O-])[nH]1	ZINC000409196024	570163585	/nfs/dbraw/zinc/16/35/85/570163585.db2.gz	YGXDYLPAPWMMQP-WTKPLQERSA-N	-1	2	482.097	3.404	40	0		JGABLM
Cc1n[nH]c(SC(=Cc2cc(Br)c(O)c(I)c2)C(=O)[O-])n1	ZINC000409196024	570163586	/nfs/dbraw/zinc/16/35/86/570163586.db2.gz	YGXDYLPAPWMMQP-WTKPLQERSA-N	-1	2	482.097	3.404	40	0		JGABLM
Cc1ccc(C(=O)N[C@@H](c2nnc(-c3cc(-c4ccc(C)cc4O)n[nH]3)o2)[P@@](=O)([O-])O)cc1	ZINC000041154260	526198572	/nfs/dbraw/zinc/19/85/72/526198572.db2.gz	JYDVGPMRSVIVOR-OAQYLSRUSA-N	-1	2	469.394	3.055	40	0		JGABLM
Cc1ccc(C(=O)N[C@@H](c2nnc(-c3cc(-c4ccc(C)cc4O)n[nH]3)o2)[P@](=O)([O-])O)cc1	ZINC000041154260	526198584	/nfs/dbraw/zinc/19/85/84/526198584.db2.gz	JYDVGPMRSVIVOR-OAQYLSRUSA-N	-1	2	469.394	3.055	40	0		JGABLM
Cc1ccc(C(=O)N[C@H](c2nnc(-c3cc(-c4ccc(C)cc4O)n[nH]3)o2)[P@@](=O)([O-])O)cc1	ZINC000041154263	526211236	/nfs/dbraw/zinc/21/12/36/526211236.db2.gz	JYDVGPMRSVIVOR-NRFANRHFSA-N	-1	2	469.394	3.055	40	0		JGABLM
Cc1ccc(C(=O)N[C@H](c2nnc(-c3cc(-c4ccc(C)cc4O)n[nH]3)o2)[P@](=O)([O-])O)cc1	ZINC000041154263	526211244	/nfs/dbraw/zinc/21/12/44/526211244.db2.gz	JYDVGPMRSVIVOR-NRFANRHFSA-N	-1	2	469.394	3.055	40	0		JGABLM
O=S(=O)([N-]c1ccc(S(=O)(=O)Nc2nccs2)cc1)c1c(F)c(F)c(F)c(F)c1F	ZINC000016428668	527258371	/nfs/dbraw/zinc/25/83/71/527258371.db2.gz	MJLZHYWLBDHTAT-UHFFFAOYSA-N	-1	2	485.437	3.440	40	0		JGABLM
Cc1nc(SC(=Cc2cc(Br)cc(I)c2O)C(=O)[O-])n[nH]1	ZINC000409190122	570161617	/nfs/dbraw/zinc/16/16/17/570161617.db2.gz	KWWBIUXKHAJYIG-OQFOIZHKSA-N	-1	2	482.097	3.404	40	0		JGABLM
Cc1nc2ccc(NC(=O)CCNC(=O)CCCc3ccc(CC(C(=O)[O-])C(=O)O)cc3)cc2s1	ZINC000084690296	569709562	/nfs/dbraw/zinc/70/95/62/569709562.db2.gz	SGFJAJFBGVAOFW-UHFFFAOYSA-N	-1	2	497.573	3.400	40	0	in-vitro	JGABLM
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3F)C2=O)ccc1OCc1ccc(C(=O)[O-])o1	ZINC000108113757	569858669	/nfs/dbraw/zinc/85/86/69/569858669.db2.gz	YJMJQUYEPBZCPG-XNTDXEJSSA-N	-1	2	480.404	3.371	40	0		JGABLM