smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=C1C(=O)c2c([O-])c(CC=C(C)C)c([O-])cc2C(=O)C1OC	ZINC000014815265	560226573	/nfs/dbraw/zinc/22/65/73/560226573.db2.gz	DZMXLHINHRMDEG-UHFFFAOYSA-N	-2	3	302.326	2.906	1	30	in-vitro	DFEFHL
CN(O)C(=O)CC[C@@H](c1cccc2ccccc21)P(=O)([O-])[O-]	ZINC000072118576	191038751	/nfs/dbraw/zinc/03/87/51/191038751.db2.gz	GVYNITXGUQLLHI-AWEZNQCLSA-N	-2	3	323.285	2.686	1	30		DFEFHL
O=C(/C=C/c1cc(=O)oc2cc([O-])ccc12)c1ccc([O-])c(O)c1	ZINC000064548978	184299860	/nfs/dbraw/zinc/29/98/60/184299860.db2.gz	CBCLWNLIMXPSBR-ORCRQEGFSA-N	-2	3	324.288	2.806	1	30		DFEFHL
CN(O)C(=O)CC[C@H](c1cccc2ccccc21)P(=O)([O-])[O-]	ZINC000072118577	191039295	/nfs/dbraw/zinc/03/92/95/191039295.db2.gz	GVYNITXGUQLLHI-CQSZACIVSA-N	-2	3	323.285	2.686	1	30		DFEFHL
COc1cc([O-])cc([O-])c1C(=O)/C=C/c1ccc2c(c1)OCO2	ZINC000040952947	183150522	/nfs/dbraw/zinc/15/05/22/183150522.db2.gz	DWJXJHGWGVIVBQ-DUXPYHPUSA-N	-2	3	314.293	2.731	1	30		DFEFHL
CCCCCCCCCC(P(=O)([O-])[O-])P(=O)([O-])[O-]	ZINC000043352271	183356766	/nfs/dbraw/zinc/35/67/66/183356766.db2.gz	GGTJYTBKZNEKOD-UHFFFAOYSA-N	-4	3	302.244	2.809	1	30		DFEFHL