smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOC(=O)c1sc([N-]N=C2C(=O)[N-]C(=S)NC2=O)c(C(=O)OCC)c1C	ZINC000001786832	557287803	/nfs/dbraw/zinc/28/78/03/557287803.db2.gz	RKCJKELTTFWIFE-UHFFFAOYSA-N	-2	3	412.449	0.709	50	30		HCEAHL
CC(=O)Nc1c([O-])nc(SCC(=O)Nc2sc3c(c2C#N)CCCC3)[n-]c1=O	ZINC000002746457	568806104	/nfs/dbraw/zinc/80/61/04/568806104.db2.gz	DWAPSEWIOXUURY-UHFFFAOYSA-N	-2	3	419.488	0.687	50	30		HCEAHL
COc1ccc([N-]S(=O)(=O)c2ccc(NN=C3C(=O)[N-]C(=O)NC3=O)cc2)cc1	ZINC000009546222	571267687	/nfs/dbraw/zinc/26/76/87/571267687.db2.gz	KNIDUHGWXMJZOK-UHFFFAOYSA-N	-2	3	417.403	0.630	50	30		HCEAHL
CN(C)[C@@H]1C([O-])=C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3=C([O-])c4c(O)cccc4C[C@H]3C[C@@H]12	ZINC000022066481	558461343	/nfs/dbraw/zinc/46/13/43/558461343.db2.gz	XDVCLKFLRAWGIT-ADOAZJKMSA-N	-2	3	414.414	0.121	50	30	in-man	HCEAHL
CN(C)[C@@H]1C(=O)C(C(N)=O)=C([O-])[C@@]2(O)C(=O)C3=C([O-])c4c(O)cccc4C[C@H]3C[C@@H]12	ZINC000022066481	558461340	/nfs/dbraw/zinc/46/13/40/558461340.db2.gz	XDVCLKFLRAWGIT-ADOAZJKMSA-N	-2	3	414.414	0.121	50	30	in-man	HCEAHL