smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCN1CC[C@@]23c4c5c(OS(=O)(=O)[O-])ccc4C[C@@H]1[C@]2(O)CCC(=O)[C@@H]3O5	ZINC000038175140	518868102	/nfs/dbraw/zinc/86/81/02/518868102.db2.gz	PAJPQFFSQUPZNW-GRGSLBFTSA-N	-1	1	407.444	0.777	10	30	in-vitro	HCEEMM
COC(=O)C([O-])=C(C(=O)C=C(C)C)C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000198718960	569363613	/nfs/dbraw/zinc/36/36/13/569363613.db2.gz	RHFHHKGANYJKEA-ZDUSSCGKSA-N	-1	1	421.318	0.904	10	30		HCEEMM
COC(=O)C(=O)C(C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])=C([O-])C=C(C)C	ZINC000198718960	569363612	/nfs/dbraw/zinc/36/36/12/569363612.db2.gz	RHFHHKGANYJKEA-ZDUSSCGKSA-N	-1	1	421.318	0.904	10	30		HCEEMM
COC(=O)C([O-])=C(C(=O)C=C(C)C)C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000198718978	569363596	/nfs/dbraw/zinc/36/35/96/569363596.db2.gz	RHFHHKGANYJKEA-CYBMUJFWSA-N	-1	1	421.318	0.904	10	30		HCEEMM
COC(=O)C(=O)C(C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])=C([O-])C=C(C)C	ZINC000198718978	569363595	/nfs/dbraw/zinc/36/35/95/569363595.db2.gz	RHFHHKGANYJKEA-CYBMUJFWSA-N	-1	1	421.318	0.904	10	30		HCEEMM