smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1[n-]c(C=CC2=CO[C@H]3C=CC=C[C@H]3C2=O)nc([O-])c1[N+](=O)[O-]	ZINC000017067428	436098575	/nfs/dbraw/zinc/09/85/75/436098575.db2.gz	PARNJVILFIKCDT-ROSGPLSXSA-N	-2	1	329.268	0.991	40	30		ECEBML
C=CCN1C(=O)/C(=C/c2ccccc2OCC(=O)[O-])C(=O)[N-]C1=S	ZINC000224335176	564036282	/nfs/dbraw/zinc/03/62/82/564036282.db2.gz	CAXCQEZGDPBTMN-DHZHZOJOSA-N	-2	1	346.364	0.963	40	30		ECEBML
Cc1ccc(S(=O)([O-])=NC(=O)N(CC(=O)[O-])CC(=O)[O-])cc1	ZINC000019418232	202007722	/nfs/dbraw/zinc/00/77/22/202007722.db2.gz	CUJCKXLDNARMGN-UHFFFAOYSA-N	-3	1	330.318	0.069	40	30		ECEBML
O=c1[n-]c(C=CC2=CO[C@H]3C=CC=C[C@@H]3C2=O)nc([O-])c1[N+](=O)[O-]	ZINC000017067424	436096723	/nfs/dbraw/zinc/09/67/23/436096723.db2.gz	PARNJVILFIKCDT-QEBMPYFUSA-N	-2	1	329.268	0.991	40	30		ECEBML
C=CCN1C(=O)/C(=C/c2cccc(OCC(=O)[O-])c2)C(=O)[N-]C1=S	ZINC000012379070	211360714	/nfs/dbraw/zinc/36/07/14/211360714.db2.gz	MQVKMHIMJSOCEH-XYOKQWHBSA-N	-2	1	346.364	0.963	40	30		ECEBML
O=c1[n-]c(C=CC2=CO[C@@H]3C=CC=C[C@H]3C2=O)nc([O-])c1[N+](=O)[O-]	ZINC000017067426	436097365	/nfs/dbraw/zinc/09/73/65/436097365.db2.gz	PARNJVILFIKCDT-GMCFVEKCSA-N	-2	1	329.268	0.991	40	30		ECEBML
O=c1[n-]c(C=CC2=CO[C@@H]3C=CC=C[C@@H]3C2=O)nc([O-])c1[N+](=O)[O-]	ZINC000017067422	436098556	/nfs/dbraw/zinc/09/85/56/436098556.db2.gz	PARNJVILFIKCDT-FQNVXPIYSA-N	-2	1	329.268	0.991	40	30		ECEBML