smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCC(=O)OC[C@H](O)C[NH2+][C@@H](c1nc(-c2ccc([N+](=O)[O-])cc2)no1)C(C)C	ZINC000036160462	569102825	/nfs/dbraw/zinc/10/28/25/569102825.db2.gz	JHEQIGYNYLZIMP-NVXWUHKLSA-N	1	0	406.439	2.636	10	5		HFBERO
CCCC(=O)OC[C@H](O)C[NH2+][C@H](c1nc(-c2ccc([N+](=O)[O-])cc2)no1)C(C)C	ZINC000036160472	569102831	/nfs/dbraw/zinc/10/28/31/569102831.db2.gz	JHEQIGYNYLZIMP-WBVHZDCISA-N	1	0	406.439	2.636	10	5		HFBERO
CCCC(=O)OC[C@@H](O)C[NH2+][C@@H](c1nc(-c2ccc([N+](=O)[O-])cc2)no1)C(C)C	ZINC000036160468	569102944	/nfs/dbraw/zinc/10/29/44/569102944.db2.gz	JHEQIGYNYLZIMP-DOTOQJQBSA-N	1	0	406.439	2.636	10	5		HFBERO
COC1(c2nc(-c3cnccn3)no2)CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1	ZINC000225839310	568782872	/nfs/dbraw/zinc/78/28/72/568782872.db2.gz	SHVBRNKHSAPBAK-UHFFFAOYSA-N	1	0	410.434	2.615	10	5		HFBERO
CCCC(=O)OC[C@@H](O)C[NH2+][C@H](c1nc(-c2ccc([N+](=O)[O-])cc2)no1)C(C)C	ZINC000036160476	569102815	/nfs/dbraw/zinc/10/28/15/569102815.db2.gz	JHEQIGYNYLZIMP-RDJZCZTQSA-N	1	0	406.439	2.636	10	5		HFBERO