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(=O)NCN2CCN(CCO)CC2)C(=O)[C@@]2(O)C(=O)C3=C([O-])c4c(O)cccc4[C@@](C)(O)[C@H]3C[C@@H]12	ZINC000022463289	561759437	/nfs/dbraw/zinc/75/94/37/561759437.db2.gz	XATZHCXBMKRRDO-REHNUXHNSA-N	-1	0	586.642	-1.016	10	30	in-man	KAEERM
CC(C)[C@H](NC(=O)[C@H](CC(=O)[O-])NC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@@H]([NH3+])CCCNC(N)=[NH2+])C(=O)[O-]	ZINC000038385224	554274731	/nfs/dbraw/zinc/27/47/31/554274731.db2.gz	WMOHCDYSWGUDJC-ASHKBJFXSA-N	-1	0	517.540	-3.098	10	30		KAEERM
NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H]([NH3+])CC(=O)[O-])C(=O)NCC(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](CO)C(=O)[O-]	ZINC000059191457	554384063	/nfs/dbraw/zinc/38/40/63/554384063.db2.gz	VXYAWCJCNZVGPR-NAKRPEOUSA-N	-1	0	548.510	-6.036	10	30		KAEERM