smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)[C@H]1CS[C@@H](c2c(CO[P@@](=O)([O-])O)cnc(C)c2O)N1	ZINC000001608321	204014086	/nfs/dbraw/zinc/01/40/86/204014086.db2.gz	OTJUDGXSYPMNAZ-KCJUWKMLSA-N	-1	2	364.316	0.582	40	0		FCABLM
COC(=O)[C@H]1CS[C@@H](c2c(CO[P@](=O)([O-])O)cnc(C)c2O)N1	ZINC000001608321	204014090	/nfs/dbraw/zinc/01/40/90/204014090.db2.gz	OTJUDGXSYPMNAZ-KCJUWKMLSA-N	-1	2	364.316	0.582	40	0		FCABLM
CC1(C)S[C@@H]([C@H](NC(=O)Cc2ccccc2)C(=O)[O-])[NH2+][C@H]1C(=O)[O-]	ZINC000004576926	204148697	/nfs/dbraw/zinc/14/86/97/204148697.db2.gz	HCYWNSXLUZRKJX-AVGNSLFASA-N	-1	2	352.412	0.693	40	0	in-man	FCABLM
NS(=O)(=O)c1ccccc1NS(=O)(=O)c1ccccc1C(=O)[O-]	ZINC000019418227	487604640	/nfs/dbraw/zinc/60/46/40/487604640.db2.gz	JUXRPKFXRPQGLP-UHFFFAOYSA-N	-1	2	356.381	0.833	40	0		FCABLM
COc1nn(C)cc1NS(=O)(=O)c1cc(CC(=O)[O-])ccc1OC	ZINC000473483177	250232358	/nfs/dbraw/zinc/23/23/58/250232358.db2.gz	STGOVVYVDGOWPX-UHFFFAOYSA-N	-1	2	355.372	0.865	40	0		FCABLM
Cn1ncc(NS(=O)(=O)c2cc(C(F)(F)F)nn2C)c1C(=O)[O-]	ZINC000530136859	490890348	/nfs/dbraw/zinc/89/03/48/490890348.db2.gz	IVIFEZIKXQRELQ-UHFFFAOYSA-N	-1	2	353.282	0.671	40	0		FCABLM
CC1(C)S[C@@H]([C@H](NC(=O)COc2ccccc2)C(=O)[O-])[NH2+][C@H]1C(=O)[O-]	ZINC000065748377	221236016	/nfs/dbraw/zinc/23/60/16/221236016.db2.gz	FJTUHYOOCYRLJI-AVGNSLFASA-N	-1	2	368.411	0.529	40	0	in-vitro	FCABLM
O=C([N-]c1[nH][nH]c(=S)[nH+]1)C(=O)C1=S([O-])c2ccccc2NC1=O	ZINC000017214754	211182795	/nfs/dbraw/zinc/18/27/95/211182795.db2.gz	HKGYJZNTRDWZLP-JRSYYBBYSA-N	-1	2	351.369	0.103	40	0		FCABLM
NS(=O)(=O)c1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)cc1	ZINC000223369232	488448566	/nfs/dbraw/zinc/44/85/66/488448566.db2.gz	NKMBNRKUBPFLNA-UHFFFAOYSA-N	-1	2	374.371	0.972	40	0		FCABLM
CC1(C)S[C@@H]([C@H](NC(=O)COc2ccccc2)C(=O)[O-])[NH2+][C@@H]1C(=O)[O-]	ZINC000065748378	221236259	/nfs/dbraw/zinc/23/62/59/221236259.db2.gz	FJTUHYOOCYRLJI-XQQFMLRXSA-N	-1	2	368.411	0.529	40	0	in-vitro	FCABLM
O=C([N-]c1[nH][nH]c(=S)[nH+]1)C(=O)C1=S([O-])c2ccccc2NC1=O	ZINC000017214760	211183603	/nfs/dbraw/zinc/18/36/03/211183603.db2.gz	HKGYJZNTRDWZLP-OTHYDSGKSA-N	-1	2	351.369	0.103	40	0		FCABLM
O=C([N-]c1[nH][nH]c(=S)[nH+]1)C(=O)C1=S([O-])c2ccccc2NC1=O	ZINC000017214757	211182880	/nfs/dbraw/zinc/18/28/80/211182880.db2.gz	HKGYJZNTRDWZLP-FHOATMSYSA-N	-1	2	351.369	0.103	40	0		FCABLM
COC(=O)[C@H]1CS[C@H](c2c(CO[P@@](=O)([O-])O)cnc(C)c2O)N1	ZINC000001608322	210362040	/nfs/dbraw/zinc/36/20/40/210362040.db2.gz	OTJUDGXSYPMNAZ-LDYMZIIASA-N	-1	2	364.316	0.582	40	0		FCABLM
COC(=O)[C@H]1CS[C@H](c2c(CO[P@](=O)([O-])O)cnc(C)c2O)N1	ZINC000001608322	210362044	/nfs/dbraw/zinc/36/20/44/210362044.db2.gz	OTJUDGXSYPMNAZ-LDYMZIIASA-N	-1	2	364.316	0.582	40	0		FCABLM
COC(=O)[C@@H]1CS[C@@H](c2c(CO[P@@](=O)([O-])O)cnc(C)c2O)N1	ZINC000001608323	487470123	/nfs/dbraw/zinc/47/01/23/487470123.db2.gz	OTJUDGXSYPMNAZ-KWQFWETISA-N	-1	2	364.316	0.582	40	0		FCABLM
COC(=O)[C@@H]1CS[C@@H](c2c(CO[P@](=O)([O-])O)cnc(C)c2O)N1	ZINC000001608323	487470124	/nfs/dbraw/zinc/47/01/24/487470124.db2.gz	OTJUDGXSYPMNAZ-KWQFWETISA-N	-1	2	364.316	0.582	40	0		FCABLM
CC1(C)S[C@@H]([C@H](NC(=O)Cc2ccccc2)C(=O)[O-])[NH2+][C@@H]1C(=O)[O-]	ZINC000004576929	219587605	/nfs/dbraw/zinc/58/76/05/219587605.db2.gz	HCYWNSXLUZRKJX-XQQFMLRXSA-N	-1	2	352.412	0.693	40	0	in-man	FCABLM
COC(=O)[C@@H]1CS[C@H](c2c(CO[P@@](=O)([O-])O)cnc(C)c2O)N1	ZINC000001608324	487470094	/nfs/dbraw/zinc/47/00/94/487470094.db2.gz	OTJUDGXSYPMNAZ-GZMMTYOYSA-N	-1	2	364.316	0.582	40	0		FCABLM
COC(=O)[C@@H]1CS[C@H](c2c(CO[P@](=O)([O-])O)cnc(C)c2O)N1	ZINC000001608324	487470095	/nfs/dbraw/zinc/47/00/95/487470095.db2.gz	OTJUDGXSYPMNAZ-GZMMTYOYSA-N	-1	2	364.316	0.582	40	0		FCABLM
O=C([N-]c1[nH][nH]c(=S)[nH+]1)C(=O)C1=S([O-])c2ccccc2NC1=O	ZINC000016958038	220199158	/nfs/dbraw/zinc/19/91/58/220199158.db2.gz	HKGYJZNTRDWZLP-MEFFNOMFSA-N	-1	2	351.369	0.103	40	0		FCABLM