smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(S(=O)(=O)[N-]c2cc3ncsc3c([N+](=O)[O-])c2)cc1	ZINC000028639320	202173976	/nfs/dbraw/zinc/17/39/76/202173976.db2.gz	JATWXQHZWWVKEE-UHFFFAOYSA-N	-1	1	349.393	3.314	1	5		EGBFMM
CCCC1CC(=O)C(=C([O-])c2ccc(Cl)cc2[N+](=O)[O-])C(=O)C1	ZINC000103273300	219279786	/nfs/dbraw/zinc/27/97/86/219279786.db2.gz	WFHVKENIDCKMJJ-UHFFFAOYSA-N	-1	1	337.759	3.395	1	5		EGBFMM
COc1ccc(-c2cc(-c3ccc([N+](=O)[O-])cc3)nc(N)n2)c([O-])c1	ZINC000073292515	216374050	/nfs/dbraw/zinc/37/40/50/216374050.db2.gz	GUDNJXQRCLYNBF-UHFFFAOYSA-N	-1	1	338.323	3.015	1	5		EGBFMM
O=[N+]([O-])c1ccc(SC2CCCCC2)c([C@@H](O)[P@](=O)([O-])O)c1	ZINC000026271392	202141017	/nfs/dbraw/zinc/14/10/17/202141017.db2.gz	KVEXQSADMFRANW-ZDUSSCGKSA-N	-1	1	347.329	3.188	1	5		EGBFMM
COc1cc(O)c2c(=O)c3cccc([O-])c3oc2c1CCC(C)(C)O	ZINC000014819739	560226623	/nfs/dbraw/zinc/22/66/23/560226623.db2.gz	BUVUUTYHRGVEBL-UHFFFAOYSA-N	-1	1	344.363	3.070	1	5	biogenic,in-vitro	EGBFMM