smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+](C)[C@@H]1C([O-])=C(C(N)=O)C(=O)[C@@]2(C)C(=O)C3=C(O)c4c(O)cccc4[C@@](C)(O)[C@H]3C[C@@H]12	ZINC000071789609	522034549	/nfs/dbraw/zinc/03/45/49/522034549.db2.gz	XITKXPNIDXEFHU-GMBDQTOASA-N	0	2	442.468	1.061	10	30		IDEELN
C[NH+](C)[C@@H]1C([O-])=C(C(N)=O)C(=O)[C@@]2(C)C(=O)C3=C(O)c4c(O)cccc4[C@@](C)(O)[C@@H]3C[C@@H]12	ZINC000071789610	522034397	/nfs/dbraw/zinc/03/43/97/522034397.db2.gz	XITKXPNIDXEFHU-IOEPHAMKSA-N	0	2	442.468	1.061	10	30		IDEELN