smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)c(N)c1	ZINC000216934248	201506361	/nfs/dbraw/zinc/50/63/61/201506361.db2.gz	JLEIGSQKDMVMNP-UHFFFAOYSA-N	-1	3	306.387	2.777	40	70		DFIBHM
CCOc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)c(N)c1	ZINC000216934299	426562469	/nfs/dbraw/zinc/56/24/69/426562469.db2.gz	HAIFUDDDUCGUBP-UHFFFAOYSA-N	-1	3	310.350	2.607	40	70		DFIBHM
Cn1cc(-c2c3c[nH]nc3nc3c4ccc([O-])cc4oc32)cn1	ZINC000218276185	426568266	/nfs/dbraw/zinc/56/82/66/426568266.db2.gz	ONHYLRRPIAGCGF-UHFFFAOYSA-N	-1	3	305.297	2.963	40	70		DFIBHM
COc1cc([N+](=O)[O-])ccc1Sc1nnc(C(F)F)[n-]1	ZINC000216903561	426561974	/nfs/dbraw/zinc/56/19/74/426561974.db2.gz	UWFXWANZLPOBLF-UHFFFAOYSA-N	-1	3	302.262	2.810	40	70		DFIBHM
COc1cc([N+](=O)[O-])ccc1Sc1nc(C(F)F)n[n-]1	ZINC000216903561	426561978	/nfs/dbraw/zinc/56/19/78/426561978.db2.gz	UWFXWANZLPOBLF-UHFFFAOYSA-N	-1	3	302.262	2.810	40	70		DFIBHM
COc1cc([N+](=O)[O-])ccc1Sc1n[n-]c(C(F)F)n1	ZINC000216903561	426561982	/nfs/dbraw/zinc/56/19/82/426561982.db2.gz	UWFXWANZLPOBLF-UHFFFAOYSA-N	-1	3	302.262	2.810	40	70		DFIBHM
COc1ccc(Sc2nnc(C(F)F)[n-]2)c([N+](=O)[O-])c1	ZINC000216904026	426562067	/nfs/dbraw/zinc/56/20/67/426562067.db2.gz	WQXUVMSKUYLNKR-UHFFFAOYSA-N	-1	3	302.262	2.810	40	70		DFIBHM
COc1ccc(Sc2nc(C(F)F)n[n-]2)c([N+](=O)[O-])c1	ZINC000216904026	426562073	/nfs/dbraw/zinc/56/20/73/426562073.db2.gz	WQXUVMSKUYLNKR-UHFFFAOYSA-N	-1	3	302.262	2.810	40	70		DFIBHM