smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])[C@H](O)[C@@H](O)[C@@H](O)/C([O-])=N/O	2046851	560186309	/nfs/dbraw/zinc/18/63/09/560186309.db2.gz	DMGBHBFPSRKPBV-ZVHKOUPVSA-N	-2	0	195.127	-2.501	1	30	in-vitro	AAEFRL
NC(=O)[N-]S(=O)(=O)N=C(N)[O-]	5112653	560200557	/nfs/dbraw/zinc/20/05/57/560200557.db2.gz	NRCPVGIMMWPWGT-UHFFFAOYSA-N	-2	0	182.161	-2.228	1	30	in-vitro	AAEFRL