smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1[N-]C(=O)c2c1c1c3ccccc3[nH]c1c1ccc3ccccc3c21	ZINC000013554102	211576902	/nfs/dbraw/zinc/57/69/02/211576902.db2.gz	HVVKFYHINSILFO-UHFFFAOYSA-N	-1	3	336.350	4.511	1	5		EJBFHM
O=[N+]([O-])c1ccc(C2=C(c3ccc(O)cc3)c3ccc([O-])cc3C2)cc1	ZINC000029466396	202187030	/nfs/dbraw/zinc/18/70/30/202187030.db2.gz	CBPWJHMOXKYEGK-UHFFFAOYSA-N	-1	3	345.354	4.521	1	5		EJBFHM
CC1(C)C=Cc2c(cc([O-])c3c(=O)c4cc5ccccc5cc4[nH]c23)O1	ZINC000026480996	202144348	/nfs/dbraw/zinc/14/43/48/202144348.db2.gz	MSGKXWSKKCVRCB-UHFFFAOYSA-N	-1	3	343.382	4.724	1	5		EJBFHM
O=[N+]([O-])c1cccc(C2=C(c3ccc(O)cc3)c3ccc([O-])cc3C2)c1	ZINC000029466399	202186495	/nfs/dbraw/zinc/18/64/95/202186495.db2.gz	QKSBADUJGCJFHF-UHFFFAOYSA-N	-1	3	345.354	4.521	1	5		EJBFHM
O=[N+]([O-])c1ccc2nc(-c3ccc(Oc4ccccc4)cc3)n([O-])c2c1	ZINC000028957191	212646484	/nfs/dbraw/zinc/64/64/84/212646484.db2.gz	UIWDHMBYSYDKGR-UHFFFAOYSA-N	-1	3	347.330	4.641	1	5		EJBFHM
[O-]c1ccc(-c2[nH]c3ccccc3c3ncnc4ncc2-c43)c(Cl)c1	ZINC000045387339	581098908	/nfs/dbraw/zinc/09/89/08/581098908.db2.gz	NXGKHHZHGCQDFN-UHFFFAOYSA-N	-1	3	346.777	4.685	1	5		EJBFHM