smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NC(=O)c1cc[n+](CC2=C(C(=O)[O-])N3C(=O)[C@H](NC(=O)[C@H](c4ccccc4)S(=O)(=O)[O-])[C@H]3SC2)cc1	ZINC000001542915	551684061	/nfs/dbraw/zinc/68/40/61/551684061.db2.gz	SYLKGLMBLAAGSC-HZUJVAHNSA-O	-1	2	533.564	-0.559	50	0	in-man	KBAALM
Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)Nc1ccc(S(=O)(=O)c2ccc([N-]S(=O)(=O)C3C(=O)NC(=O)N=C3C)cc2)cc1	ZINC000004194744	552447883	/nfs/dbraw/zinc/44/78/83/552447883.db2.gz	DVAIYSZTXVOUQZ-UHFFFAOYSA-N	-1	2	624.635	-0.509	50	0		KBAALM
CC(C)C[C@H](NC(=O)CN1CCOCCOCC[NH+](CC(=O)N[C@@H](CC(C)C)C(=O)[O-])CCOCCOCC1)C(=O)[O-]	ZINC000102015728	554867152	/nfs/dbraw/zinc/86/71/52/554867152.db2.gz	MFQJDIUGRCCYHW-ZEQRLZLVSA-N	-1	2	604.742	-0.099	50	0		KBAALM
CC(C)C[C@@H](NC(=O)CN1CCOCCOCC[NH+](CC(=O)N[C@H](CC(C)C)C(=O)[O-])CCOCCOCC1)C(=O)[O-]	ZINC000102015736	554867197	/nfs/dbraw/zinc/86/71/97/554867197.db2.gz	MFQJDIUGRCCYHW-DNQXCXABSA-N	-1	2	604.742	-0.099	50	0		KBAALM