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)(C#N)c1ccccc1S	687758082	571955759	/nfs/dbraw/zinc/95/57/59/571955759.db2.gz	RAUCHQDHAUTMGA-LLVKDONJSA-N	0	2	191.299	3.167	10	30		AGEELN
CC[C@@](C)(C#N)c1ccccc1S	687758083	571957683	/nfs/dbraw/zinc/95/76/83/571957683.db2.gz	RAUCHQDHAUTMGA-NSHDSACASA-N	0	2	191.299	3.167	10	30		AGEELN
C/[NH+]=C(/SC)c1ccc(C)c(C)c1	714561145	572833901	/nfs/dbraw/zinc/83/39/01/572833901.db2.gz	VNSIIIBYUUHISE-VAWYXSNFSA-N	0	2	193.315	3.043	10	30		AGEELN
O=CC=C(O)c1cccc2ccccc12	110898739	573981378	/nfs/dbraw/zinc/98/13/78/573981378.db2.gz	GJYBBSHDXKCWBS-CMDGGOBGSA-N	0	2	198.221	3.094	10	30		AGEELN
O=CC=C(O)c1ccc2ccccc2c1	110898749	573982756	/nfs/dbraw/zinc/98/27/56/573982756.db2.gz	LTBKJYIGNGUHMZ-BQYQJAHWSA-N	0	2	198.221	3.094	10	30		AGEELN