smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)c1ccc(C=[NH+][N-]c2nc3c(c([O-])nc(=O)n3C)n2Cc2ccc([N+](=O)[O-])cc2)cc1	ZINC000033335092	522134870	/nfs/dbraw/zinc/13/48/70/522134870.db2.gz	HVENDNPZOUKWAC-FMCGGJTJSA-N	-1	3	462.470	1.892	10	30		JDEEHM
CN(C/C=C/C#CC(C)(C)CO[C@H]1O[C@@H](C(=O)[O-])[C@H](O)[C@@H](O)[C@@H]1O)Cc1cccc2ccccc21	ZINC000044020931	522404112	/nfs/dbraw/zinc/40/41/12/522404112.db2.gz	XWKOYVRIRYSRSH-DSRSGAICSA-N	-1	3	483.561	1.766	10	30	in-vitro	JDEEHM
C[C@H]1O[C@@H]2CC(=O)O[C@@H]2C2=C1C(=O)c1c([O-])c([C@H]3C[C@@H](N(C)C)[C@H](O)[C@@H](C)O3)ccc1C2=O	ZINC000005760159	562934808	/nfs/dbraw/zinc/93/48/08/562934808.db2.gz	NYJGMJFBEVSQNN-CNRHASOASA-N	-1	3	457.479	1.312	10	30	in-vitro	JDEEHM