smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[S@](=O)CCCCN=C=S	2557133	1331681253	/nfs/dbraw/zinc/68/12/53/1331681253.db2.gz	SUVMJBTUFCVSAD-SNVBAGLBSA-N	0	0	177.294	1.248	50	50	endogenous,investigational	ADGARN
C[S@@](=O)CCCCN=C=S	3875035	1331681293	/nfs/dbraw/zinc/68/12/93/1331681293.db2.gz	SUVMJBTUFCVSAD-JTQLQIEISA-N	0	0	177.294	1.248	50	50	endogenous,in-man	ADGARN
Cc1c(N=C=O)cccc1N=C=O	2012912	1331681397	/nfs/dbraw/zinc/68/13/97/1331681397.db2.gz	RUELTTOHQODFPA-UHFFFAOYSA-N	0	0	174.159	1.930	50	50	in-vitro	ADGARN
C[C@@H](Cl)C(=O)C1CCOCC1	259413633	538290937	/nfs/dbraw/zinc/29/09/37/538290937.db2.gz	SWVNUEQXKRURFU-ZCFIWIBFSA-N	0	0	176.643	1.609	50	50		ADGARN
C[C@H](Cl)C(=O)C1CCOCC1	259413629	538292588	/nfs/dbraw/zinc/29/25/88/538292588.db2.gz	SWVNUEQXKRURFU-LURJTMIESA-N	0	0	176.643	1.609	50	50		ADGARN
N#C/C=C/CBr	38282068	1147754890	/nfs/dbraw/zinc/75/48/90/1147754890.db2.gz	DNQQWHOUZPHKMD-OWOJBTEDSA-N	0	0	145.987	1.461	50	50	in-vitro	ADGARN
CCCC/C=C/C=O	2017189	1148349765	/nfs/dbraw/zinc/34/97/65/1148349765.db2.gz	NDFKTBCGKNOHPJ-AATRIKPKSA-N	0	0	112.172	1.932	50	50	endogenous,in-man	ADGARN
CCCCl	2034871	1349652742	/nfs/dbraw/zinc/65/27/42/1349652742.db2.gz	SNMVRZFUUCLYTO-UHFFFAOYSA-N	0	0	78.542	1.635	50	50	in-vitro	ADGARN
C=CCS[S@@](=O)CC=C	4097409	1415569465	/nfs/dbraw/zinc/56/94/65/1415569465.db2.gz	JDLKFOPOAOFWQN-VIFPVBQESA-N	0	0	162.279	1.755	50	50	endogenous,investigational	ADGARN
O=C/C=C/c1ccccc1	1532777	1193441728	/nfs/dbraw/zinc/44/17/28/1193441728.db2.gz	KJPRLNWUNMBNBZ-QPJJXVBHSA-N	0	0	132.162	1.899	50	50	endogenous,in-man	ADGARN
CCC/C=C/C=O	1531148	1294409459	/nfs/dbraw/zinc/40/94/59/1294409459.db2.gz	MBDOYVRWFFCFHM-SNAWJCMRSA-N	0	0	98.145	1.542	50	50	endogenous,in-man	ADGARN