smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCC([NH3+])(CC=C)C1=C[C@@H](CC(=C)C)[NH2+][C@@H](CC(=C)C)C1	ZINC000017030611	182068781	/nfs/dbraw/zinc/06/87/81/182068781.db2.gz	WMHNXNGDBQGNPS-MOPGFXCFSA-N	2	3	300.490	4.425	50	30		DIEAHP