smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N[C@@H](CCCC[NH3+])C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CCCC[NH3+])C(=O)[O-]	ZINC000015721932	555956288	/nfs/dbraw/zinc/95/62/88/555956288.db2.gz	VSVQDVPQNPGKQE-FHWLQOOXSA-N	1	3	478.594	-1.015	40	0		JAABHO
CC1=C(C(=O)NCCCN(CCO)CCO)CC(C(=O)NCCC[NH+](CCO)CCO)=C(C)N1	ZINC000031852465	556408986	/nfs/dbraw/zinc/40/89/86/556408986.db2.gz	RUARZNSFJTXDKW-UHFFFAOYSA-N	1	3	485.626	-1.887	40	0		JAABHO
Cn1c2ncn([C@@H]3COC4(CCN(C(=O)[C@@H](N)CCCC[NH3+])CC4)C[C@@]3(C)O)c2c(=O)n(C)c1=O	ZINC000585283859	1067026330	/nfs/dbraw/zinc/02/63/30/1067026330.db2.gz	CUYXYOLELVVJMN-WJONJSRFSA-N	1	3	491.593	-1.036	40	0		JAABHO
Cn1c2ncn([C@@H]3COC4(CCN(C(=O)[C@H](N)CCCC[NH3+])CC4)C[C@@]3(C)O)c2c(=O)n(C)c1=O	ZINC000585283870	1067026240	/nfs/dbraw/zinc/02/62/40/1067026240.db2.gz	CUYXYOLELVVJMN-XCGNWRKASA-N	1	3	491.593	-1.036	40	0		JAABHO
Cn1c2ncn([C@H]3CC4(CCN(C(=O)[C@H](N)CCCC[NH3+])CC4)OC[C@]3(C)O)c2c(=O)n(C)c1=O	ZINC000585285729	1067027351	/nfs/dbraw/zinc/02/73/51/1067027351.db2.gz	MHHOIZAQKWWTCN-VVBPWWLESA-N	1	3	491.593	-1.036	40	0		JAABHO
Cn1c2ncn([C@@H]3CN(C(=O)[C@H](N)CCCC[NH3+])C[C@@H](O)C[C@@]3(C)O)c2c(=O)n(C)c1=O	ZINC000585287014	1067026965	/nfs/dbraw/zinc/02/69/65/1067026965.db2.gz	ZPVUDOCYYPIDPV-DIMHRPKISA-N	1	3	451.528	-2.225	40	0		JAABHO
Cn1c2ncn([C@H]3CN(C(=O)[C@@H](N)CCCC[NH3+])C[C@H](O)C[C@]3(C)O)c2c(=O)n(C)c1=O	ZINC000585287019	1067026881	/nfs/dbraw/zinc/02/68/81/1067026881.db2.gz	ZPVUDOCYYPIDPV-HFUQMLBGSA-N	1	3	451.528	-2.225	40	0		JAABHO
Cn1c2ncn([C@@H]3CN(C(=O)[C@@H](N)CCCC[NH3+])C[C@@H](O)C[C@@]3(C)O)c2c(=O)n(C)c1=O	ZINC000585287021	1067026848	/nfs/dbraw/zinc/02/68/48/1067026848.db2.gz	ZPVUDOCYYPIDPV-LKWXMQFFSA-N	1	3	451.528	-2.225	40	0		JAABHO
Cn1c2ncn([C@H]3CN(C(=O)[C@H](N)CCCC[NH3+])C[C@H](O)C[C@]3(C)O)c2c(=O)n(C)c1=O	ZINC000585287022	1067027043	/nfs/dbraw/zinc/02/70/43/1067027043.db2.gz	ZPVUDOCYYPIDPV-VGWCWKRBSA-N	1	3	451.528	-2.225	40	0		JAABHO