smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#CCSc1nc2c3ccccc3sc2c(=O)n1CCC[NH+]1CCOCC1	ZINC000020640983	526478419	/nfs/dbraw/zinc/47/84/19/526478419.db2.gz	KLSWIQZMFATCNT-UHFFFAOYSA-N	1	2	400.529	2.949	1	30		HFEFLO
Cn1c[nH+]cc1[C@H](OCc1ccc(C#N)nc1N1CCOCC1)c1ccc(C#N)cc1	ZINC000013489625	581099841	/nfs/dbraw/zinc/09/98/41/581099841.db2.gz	CPXJZBUXLKGBDP-JOCHJYFZSA-N	1	2	414.469	2.701	1	30		HFEFLO
Cn1c[nH+]cc1[C@@H](OCc1ccc(C#N)nc1N1CCOCC1)c1ccc(C#N)cc1	ZINC000013489624	581099969	/nfs/dbraw/zinc/09/99/69/581099969.db2.gz	CPXJZBUXLKGBDP-QFIPXVFZSA-N	1	2	414.469	2.701	1	30		HFEFLO