smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[O-]c1ccc2ccccc2c1CN=Nc1nc(N2CCOCC2)nc(N2CCOCC2)n1	ZINC000059502963	526355058	/nfs/dbraw/zinc/35/50/58/526355058.db2.gz	AMIUSBMWGRYUEF-HAHDFKILSA-N	-1	3	435.488	1.850	10	30		IDEEHM
CN1C(=O)N(C[C@@H](C(=O)N[O-])[C@@H](CC2CCCC2)C(=O)N2CCCCC2)C(=O)C1(C)C	ZINC000000836095	562919346	/nfs/dbraw/zinc/91/93/46/562919346.db2.gz	GFUITADOEPNRML-IAGOWNOFSA-N	-1	3	436.553	1.990	10	30		IDEEHM
CC(C)C[C@H](CC(=O)N[O-])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O	ZINC000003788088	562937860	/nfs/dbraw/zinc/93/78/60/562937860.db2.gz	HLSQLCOADIMQBK-QYZOEREBSA-N	-1	3	448.564	1.288	10	30	in-vitro	IDEEHM
COc1ccc(/C=C/C(=O)N2C[C@@H](NC(=O)c3cccnc3)C[C@H]2C(=O)N[O-])cc1OC	ZINC000040897924	523388048	/nfs/dbraw/zinc/38/80/48/523388048.db2.gz	AKOSAZUQCGCWJD-IWDGFTLQSA-N	-1	3	440.456	1.017	10	30		IDEEHM