smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(S[C@@H]2C[C@@H](C(=O)N3CCN(c4ccccc4F)CC3)[N@H+](Cc3ccccc3O)C2)cc1	ZINC000011912726	553348789	/nfs/dbraw/zinc/34/87/89/553348789.db2.gz	NEVJIIOOKHZDKR-SQHAQQRYSA-N	1	0	521.658	4.624	10	10		KJCERO
Nc1ccc(CCN2CN(c3ccccc3)C3(CC[NH+](CCCC(=O)c4ccc(F)cc4)CC3)C2=O)cc1	ZINC000022048675	553723307	/nfs/dbraw/zinc/72/33/07/553723307.db2.gz	OFOJSVPHSJPGKK-UHFFFAOYSA-N	1	0	514.645	4.754	10	10	in-vitro	KJCERO
C/C=C(\C)c1cc(=O)c2c(C)cc3c(c2o1)C(=O)c1c([O-])c([C@@H]2C[C@](C)([NH+](C)C)[C@H](O)[C@H](C)O2)cc([C@@H]2C[C@H]([NH+](C)C)[C@H](O)[C@H](C)O2)c1C3=O	ZINC000082186464	562742450	/nfs/dbraw/zinc/74/24/50/562742450.db2.gz	MFTJRTUKCOVIMD-RUQNJTLRSA-N	1	0	688.818	4.678	10	10	in-vitro	KJCERO