smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])c1cccc([O-])c1C(=O)c1c([O-])cc(C(=O)O[C@@H]2CCC[NH2+]C[C@@H]2NC(=O)c2ccc(O)cc2)cc1[O-]	ZINC000003871638	561684238	/nfs/dbraw/zinc/68/42/38/561684238.db2.gz	XYUFCXJZFZPEJD-PGRDOPGGSA-N	-3	3	550.520	2.146	10	0	in-vivo	KEAEHL
O=C([O-])c1cccc([O-])c1C(=O)c1c([O-])cc(C(=O)O[C@H]2CCC[NH2+]C[C@@H]2NC(=O)c2ccc(O)cc2)cc1[O-]	ZINC000003871639	561684271	/nfs/dbraw/zinc/68/42/71/561684271.db2.gz	XYUFCXJZFZPEJD-AVRDEDQJSA-N	-3	3	550.520	2.146	10	0		KEAEHL
O=C([O-])c1cccc([O-])c1C(=O)c1c([O-])cc(C(=O)O[C@H]2CCC[NH2+]C[C@H]2NC(=O)c2ccc(O)cc2)cc1[O-]	ZINC000003871641	561684314	/nfs/dbraw/zinc/68/43/14/561684314.db2.gz	XYUFCXJZFZPEJD-GCJKJVERSA-N	-3	3	550.520	2.146	10	0		KEAEHL
CC(C)C[C@H](NC(=O)c1ccc(N2CCC([NH2+]C[C@H](O)c3ccc([O-])c([N-]S(C)(=O)=O)c3)CC2)cc1)C(=O)[O-]	ZINC000003934238	561688232	/nfs/dbraw/zinc/68/82/32/561688232.db2.gz	UCLMKQWLGHPTKX-ZCYQVOJMSA-N	-2	3	562.689	2.285	10	0		KEAEHL