smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1c([C@H](O)CC(C)C)ccc(Oc2c(O)cc(C)cc2/C=C/C(C)=O)c1C(=O)[O-]	ZINC000031159016	560090499	/nfs/dbraw/zinc/09/04/99/560090499.db2.gz	NMZWNWHEKBSQRW-IPLHWJFFSA-N	-2	0	428.481	4.881	10	30	biogenic	IJEERL
CN1C(=O)/C(=C\c2ccc(-c3ccc(C(=O)[O-])cc3)o2)S/C1=N/c1ccc(C(=O)[O-])cc1	ZINC000103771131	523675585	/nfs/dbraw/zinc/67/55/85/523675585.db2.gz	DQRXPUILNMMPHE-PHTAUWDTSA-N	-2	0	448.456	4.577	10	30		IJEERL
CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](COP(=O)([O-])[O-])NC(=O)CCC	ZINC000072399567	519986117	/nfs/dbraw/zinc/98/61/17/519986117.db2.gz	BVVVVEVXBZVIFX-CQLAPORSSA-N	-2	0	449.569	4.999	10	30	in-vitro	IJEERL
CCCCCCCCCCCCC/C=C/[C@@H](O)[C@@H](COP(=O)([O-])[O-])NC(=O)CCC	ZINC000077285520	519986553	/nfs/dbraw/zinc/98/65/53/519986553.db2.gz	BVVVVEVXBZVIFX-VLDWQCDLSA-N	-2	0	449.569	4.999	10	30	in-vitro	IJEERL