smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCN(CC)c1ccc(C[N@@H+]2CCc3c(C(=O)NCc4ccsc4)c(OC)cc(=O)n3CC2)cc1	ZINC000019739674	556363664	/nfs/dbraw/zinc/36/36/64/556363664.db2.gz	GVJAWKGNTGWUTI-UHFFFAOYSA-N	1	1	494.661	3.753	10	10		JHCEMO
CNC(=O)COc1cccc2c(Nc3ccc(NS(C)(=O)=O)cc3OC)c3ccccc3[nH+]c12	ZINC000026940386	563037669	/nfs/dbraw/zinc/03/76/69/563037669.db2.gz	ZIKCBROVQCAHDF-UHFFFAOYSA-N	1	1	480.546	3.637	10	10		JHCEMO
COCC(=O)N(C[C@H]1C[N@@H+](Cc2ccc(N(C)C)cc2)C[C@@H]1c1ccccc1OC)C(C)C	ZINC000034740900	522733297	/nfs/dbraw/zinc/73/32/97/522733297.db2.gz	IPVAVAPKCVDHPR-RDGATRHJSA-N	1	1	453.627	3.860	10	10		JHCEMO
O=C([C@@H]1C[C@@H](Sc2ccc(F)cc2)C[N@@H+]1Cc1cc(Cl)ccc1O)N1CCOCC1	ZINC000012028614	555886289	/nfs/dbraw/zinc/88/62/89/555886289.db2.gz	WYEURYJOJMCTGB-UXHICEINSA-N	1	1	450.963	3.779	10	10		JHCEMO