smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)c1cc(C(F)F)n[n-]1	217736436	168126779	/nfs/dbraw/zinc/12/67/79/168126779.db2.gz	OZFNHCBNPWBUOT-UHFFFAOYSA-N	-1	3	176.122	1.134	40	70		ADIBHM
COC(=O)c1cc(C(F)F)[n-]n1	217736436	168126780	/nfs/dbraw/zinc/12/67/80/168126780.db2.gz	OZFNHCBNPWBUOT-UHFFFAOYSA-N	-1	3	176.122	1.134	40	70		ADIBHM
COCC1(c2nc(C)cc(=O)[n-]2)CC1	217795592	168150223	/nfs/dbraw/zinc/15/02/23/168150223.db2.gz	FCGOCRFRLXUFRG-UHFFFAOYSA-N	-1	3	194.234	1.169	40	70		ADIBHM
COCCCc1cc(=O)[n-]c(C)n1	217785508	168158751	/nfs/dbraw/zinc/15/87/51/168158751.db2.gz	KLTVAYFHJKVKQG-UHFFFAOYSA-N	-1	3	182.223	1.070	40	70		ADIBHM
CCc1nc(CCCOC)cc(=O)[n-]1	217785608	344406145	/nfs/dbraw/zinc/40/61/45/344406145.db2.gz	NRSHKSQLBHPMPG-UHFFFAOYSA-N	-1	3	196.250	1.324	40	70		ADIBHM