smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NC1=NC(=O)[N-]C(=O)C1=N[O-]	101172701	169144139	/nfs/dbraw/zinc/14/41/39/169144139.db2.gz	XXVDFSPMXBAMHO-QPIMQUGISA-N	-2	3	156.101	-1.367	40	30		AAEBHL
NC1=NC(=O)[N-]C(=O)C1=N[O-]	104156202	169145365	/nfs/dbraw/zinc/14/53/65/169145365.db2.gz	XXVDFSPMXBAMHO-UNXLUWIOSA-N	-2	3	156.101	-1.367	40	30		AAEBHL
O=Cc1c([O-])[nH]c(=O)[n-]c1=O	100293202	169395955	/nfs/dbraw/zinc/39/59/55/169395955.db2.gz	BGLZMCSABBNRIJ-UHFFFAOYSA-N	-2	3	156.097	-1.833	40	30		AAEBHL
CN1CC(=O)[N-]C1=[NH+]P(=O)([O-])[O-]	4216342	342988647	/nfs/dbraw/zinc/98/86/47/342988647.db2.gz	HIPLEPXPNLWKCQ-UHFFFAOYSA-N	-2	3	193.099	-1.503	40	30	endogenous,in-man	AAEBHL
CN1C(=N)C(=N[O-])C(=O)N=C1[O-]	299888337	344957214	/nfs/dbraw/zinc/95/72/14/344957214.db2.gz	FXTBDNVUTFHTTK-UHFFFAOYSA-N	-2	3	170.128	-1.025	40	30		AAEBHL
O=C([O-])C=NN1CC(=O)[N-]C1=O	34133802	527549992	/nfs/dbraw/zinc/54/99/92/527549992.db2.gz	JLGNBZNUPRFZII-LZCJLJQNSA-N	-2	3	171.112	-1.391	40	30	in-vitro	AAEBHL