smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)[C@H](NC(=O)[C@H](CC(=O)[O-])NC(=O)CNC(=O)[C@@H](N)CCCNC(N)=[NH2+])C(=O)[O-]	ZINC000003919414	555951247	/nfs/dbraw/zinc/95/12/47/555951247.db2.gz	MDNRBNZIOBQHHK-KWBADKCTSA-N	-1	1	445.477	-3.122	40	0		IAABMM
CC(C)[C@H](NC(=O)[C@@H](CC(=O)[O-])NC(=O)CNC(=O)[C@H](N)CCCNC(N)=[NH2+])C(=O)[O-]	ZINC000083308125	568779463	/nfs/dbraw/zinc/77/94/63/568779463.db2.gz	MDNRBNZIOBQHHK-BREBYQMCSA-N	-1	1	445.477	-3.122	40	0		IAABMM
NC(=[NH2+])NCCC[C@H](N)C(=O)NCC(=O)N[C@H](CC(=O)[O-])C(=O)N[C@H](CO)C(=O)[O-]	ZINC000102181304	569588241	/nfs/dbraw/zinc/58/82/41/569588241.db2.gz	NNRFRJQMBSBXGO-DJLDLDEBSA-N	-1	1	433.422	-4.786	40	0		IAABMM
NC(=[NH2+])NCCC[C@@H](N)C(=O)NCC(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@H](CO)C(=O)[O-]	ZINC000109562014	569285759	/nfs/dbraw/zinc/28/57/59/569285759.db2.gz	NNRFRJQMBSBXGO-HRDYMLBCSA-N	-1	1	433.422	-4.995	40	0		IAABMM
NC(=[NH2+])NCCC[C@H](N)C(=O)NCC(=O)N[C@H](CC(=O)[O-])C(=O)N[C@@H](CS)C(=O)[O-]	ZINC000168001729	557290864	/nfs/dbraw/zinc/29/08/64/557290864.db2.gz	AEGSIYIIMVBZQU-YIZRAAEISA-N	-1	1	449.490	-4.058	40	0		IAABMM
CC(C)[C@H](NC(=O)[C@H](CC(=O)[O-])NC(=O)CNC(=O)[C@H](N)CCCNC(N)=[NH2+])C(=O)[O-]	ZINC000197287955	569304719	/nfs/dbraw/zinc/30/47/19/569304719.db2.gz	MDNRBNZIOBQHHK-NRUUGDAUSA-N	-1	1	445.477	-3.332	40	0		IAABMM
O=c1[nH]cnc2c1nc(N1CC[NH+](C[C@@H](O)CO)CC1)n2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1O	ZINC000253561387	569208815	/nfs/dbraw/zinc/20/88/15/569208815.db2.gz	CBFLAXHZRPKUSN-AVDOMFJMSA-N	-1	1	426.430	-3.381	40	0		IAABMM
O=c1[nH]cnc2c1nc(N1CC[NH+](C[C@@H](O)CO)CC1)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O	ZINC000253561388	569208849	/nfs/dbraw/zinc/20/88/49/569208849.db2.gz	CBFLAXHZRPKUSN-HSEKGRGVSA-N	-1	1	426.430	-3.381	40	0		IAABMM
O=c1[nH]cnc2c1nc(N1CC[NH+](C[C@@H](O)CO)CC1)n2[C@@H]1O[C@H](CO)[C@H](O)[C@@H]1O	ZINC000253561389	569208876	/nfs/dbraw/zinc/20/88/76/569208876.db2.gz	CBFLAXHZRPKUSN-SRCWZXTASA-N	-1	1	426.430	-3.381	40	0		IAABMM
O=c1[nH]cnc2c1nc(N1CC[NH+](C[C@@H](O)CO)CC1)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	ZINC000253561390	569208871	/nfs/dbraw/zinc/20/88/71/569208871.db2.gz	CBFLAXHZRPKUSN-ZGOQAQPGSA-N	-1	1	426.430	-3.381	40	0		IAABMM
CC(C)[C@H](NC(=O)[C@@H](CC(=O)[O-])NC(=O)CNC(=O)[C@@H](N)CCCNC(N)=[NH2+])C(=O)[O-]	ZINC000644163780	557093662	/nfs/dbraw/zinc/09/36/62/557093662.db2.gz	MDNRBNZIOBQHHK-CWSCBRNRSA-N	-1	1	445.477	-3.122	40	0		IAABMM
NC(=[NH2+])NCCC[C@H](N)C(=O)NCC(=O)NC(CC(=O)[O-])C(=O)N[C@@H](CO)C(=O)[O-]	ZINC001560407491	1068648955	/nfs/dbraw/zinc/64/89/55/1068648955.db2.gz	JTUPPBILQBKHLL-CBAPKCEASA-N	-1	1	432.414	-4.622	40	0		IAABMM