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)c1ccc(-c2c[n-]n3c2nc(=O)[n-]c3=O)cc1	ZINC000096928229	185132006	/nfs/dbraw/zinc/13/20/06/185132006.db2.gz	KMUINDRDUSAUFR-UHFFFAOYSA-N	-2	1	284.319	2.088	1	0		CEAFML
O=C([O-])CCCCc1cc(=O)oc2cc([O-])ccc12	ZINC000029571595	171604837	/nfs/dbraw/zinc/60/48/37/171604837.db2.gz	QPVYEBKFFJLOCM-UHFFFAOYSA-N	-2	1	262.261	2.296	1	0		CEAFML
O=C([O-])C(=O)CC(=O)C=C([O-])c1cccc2ccccc21	ZINC000101046023	581102017	/nfs/dbraw/zinc/10/20/17/581102017.db2.gz	NEXQHAUMDHNKST-UHFFFAOYSA-N	-2	1	284.267	2.026	1	0		CEAFML
O=P([O-])([O-])COc1cccc2c1-c1ncsc1C2	ZINC000045338071	175360994	/nfs/dbraw/zinc/36/09/94/175360994.db2.gz	SMDILGWFXDZUOB-UHFFFAOYSA-N	-2	1	283.245	2.228	1	0	in-vitro	CEAFML
CC(C)(C)c1ccc(-c2cc3nc(=O)[n-]c(=O)n3[n-]2)cc1	ZINC000096928219	185132017	/nfs/dbraw/zinc/13/20/17/185132017.db2.gz	WXHZKFMJPHNNTF-UHFFFAOYSA-N	-2	1	284.319	2.088	1	0		CEAFML
COc1cc2oc(C)cc(=O)c2c([O-])c1C[C@H](C)C(=O)[O-]	ZINC000013385320	560216158	/nfs/dbraw/zinc/21/61/58/560216158.db2.gz	PGNZZMHLFVIKEG-ZETCQYMHSA-N	-2	1	292.287	2.079	1	0	biogenic,in-vitro	CEAFML
O=C([O-])c1c(O)cccc1CC(=O)c1ccc([O-])cc1	ZINC000072112702	176317394	/nfs/dbraw/zinc/31/73/94/176317394.db2.gz	YIGHIFUVVSYMFG-UHFFFAOYSA-N	-2	1	272.256	2.221	1	0	in-vitro	CEAFML