smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(C=O)cc(O)c1[O-]	38338381	571844780	/nfs/dbraw/zinc/84/47/80/571844780.db2.gz	UQGXJTFCHIBNLQ-UHFFFAOYSA-N	-1	1	152.149	1.219	20	10		ADCDMM
Cc1c([N+](=O)[O-])ccc([O-])c1O	82401676	573022356	/nfs/dbraw/zinc/02/23/56/573022356.db2.gz	IDTXJDQVEWSWDD-UHFFFAOYSA-N	-1	1	169.136	1.314	20	10	in-vitro	ADCDMM
CCOC(=O)c1sccc1[O-]	1841396	167377785	/nfs/dbraw/zinc/37/77/85/167377785.db2.gz	CPNCRCBYQSHUPQ-UHFFFAOYSA-N	-1	1	172.205	1.630	20	10		ADCDMM
O=C([O-])C1=CSCC1=O	39241153	169360755	/nfs/dbraw/zinc/36/07/55/169360755.db2.gz	FJQUCWCUMQUSGS-UHFFFAOYSA-N	-1	1	144.151	1.152	20	10		ADCDMM
CCO[N-]C(=O)C1=CC(=O)CS1	307499531	630170346	/nfs/dbraw/zinc/17/03/46/630170346.db2.gz	TXWIJKYDKVVEQF-UHFFFAOYSA-N	-1	1	187.220	1.135	20	10		ADCDMM