smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(CN2C(=O)[N-]C(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4C[C@@H](C)O[C@@H](C)[C@H]43)C2=O)cc(OC)c1	ZINC000009446208	553265481	/nfs/dbraw/zinc/26/54/81/553265481.db2.gz	CVQFWTGDVCKCAV-WQVYOUOASA-N	-1	1	524.530	2.415	40	5		KEBBMM
COc1ccc(CCN2C(=O)[N-]C(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4C[C@@H](C)O[C@@H](C)[C@H]43)C2=O)cc1	ZINC000009510761	553276179	/nfs/dbraw/zinc/27/61/79/553276179.db2.gz	AEPWCAQCZHVLSJ-PMZLIJHKSA-N	-1	1	508.531	2.449	40	5		KEBBMM
COc1cc(CN2C(=O)[N-]C(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4C[C@@H](C)O[C@H](C)[C@@H]43)C2=O)cc(OC)c1	ZINC000102776484	555062858	/nfs/dbraw/zinc/06/28/58/555062858.db2.gz	CVQFWTGDVCKCAV-XMSSHFFXSA-N	-1	1	524.530	2.415	40	5		KEBBMM
COc1cc(CN2C(=O)[N-]C(=O)[C@@]3(Cc4cc([N+](=O)[O-])ccc4N4C[C@@H](C)O[C@H](C)[C@@H]43)C2=O)cc(OC)c1	ZINC000102776486	555062935	/nfs/dbraw/zinc/06/29/35/555062935.db2.gz	CVQFWTGDVCKCAV-MFVHIQRGSA-N	-1	1	524.530	2.415	40	5		KEBBMM
COc1ccc(CCN2C(=O)[N-]C(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4C[C@@H](C)O[C@H](C)[C@@H]43)C2=O)cc1	ZINC000102781640	555066172	/nfs/dbraw/zinc/06/61/72/555066172.db2.gz	AEPWCAQCZHVLSJ-AXCGGZJNSA-N	-1	1	508.531	2.449	40	5		KEBBMM
COc1ccc(CCN2C(=O)[N-]C(=O)[C@@]3(Cc4cc([N+](=O)[O-])ccc4N4C[C@@H](C)O[C@H](C)[C@@H]43)C2=O)cc1	ZINC000102781642	555066264	/nfs/dbraw/zinc/06/62/64/555066264.db2.gz	AEPWCAQCZHVLSJ-HJFHUXPASA-N	-1	1	508.531	2.449	40	5		KEBBMM