smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC1CC[NH+](CCS(=O)(=O)CCC(=O)NCNC(=O)CCS(=O)(=O)CC[NH+]2CCC(C)CC2)CC1	ZINC000006142587	552543993	/nfs/dbraw/zinc/54/39/93/552543993.db2.gz	VQVWHYNVUOWXIH-UHFFFAOYSA-N	2	1	536.761	0.250	50	0		KCAAMP
CC(C)([NH3+])C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCC[NH3+])C(N)=O	ZINC000029562299	553846704	/nfs/dbraw/zinc/84/67/04/553846704.db2.gz	NEHWBYHLYZGBNO-BVEPWEIPSA-N	2	1	711.868	0.882	50	0	investigational	KCAAMP
Cc1[nH+]ccn1C[C@@H](O)CN1C(=O)N(CN2C(=O)N(C[C@H](O)Cn3cc[nH+]c3C)C(=O)C2(C)C)C(C)(C)C1=O	ZINC000100660789	554438539	/nfs/dbraw/zinc/43/85/39/554438539.db2.gz	SPCFEWPWXJVOLB-RTBURBONSA-N	2	1	544.613	0.162	50	0		KCAAMP
Cc1[nH+]ccn1C[C@H](O)CN1C(=O)N(CN2C(=O)N(C[C@@H](O)Cn3cc[nH+]c3C)C(=O)C2(C)C)C(C)(C)C1=O	ZINC000100660792	554438556	/nfs/dbraw/zinc/43/85/56/554438556.db2.gz	SPCFEWPWXJVOLB-OALUTQOASA-N	2	1	544.613	0.162	50	0		KCAAMP
CC[C@@H]1OC(=O)[C@H](C)[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)C[C@H]([NH+](C)C)[C@H]2O)[C@@](C)(O)C[C@@H](C)C[N@@H+](C)[C@@H](C)[C@H](O)[C@]1(C)O	ZINC000257357798	572322059	/nfs/dbraw/zinc/32/20/59/572322059.db2.gz	PXDYILJJHOVNLO-BKDKAUBKSA-N	2	1	590.799	0.976	50	0		KCAAMP
CC[C@@H]1OC(=O)[C@H](C)[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]([NH+](C)C)[C@H]2O)[C@@](C)(O)C[C@@H](C)C[N@@H+](C)[C@@H](C)[C@H](O)[C@]1(C)O	ZINC000257357799	572322054	/nfs/dbraw/zinc/32/20/54/572322054.db2.gz	PXDYILJJHOVNLO-HRHIYBHHSA-N	2	1	590.799	0.976	50	0		KCAAMP
CC[C@@H]1OC(=O)[C@H](C)[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([NH+](C)C)[C@H]2O)[C@@](C)(O)C[C@@H](C)C[N@@H+](C)[C@@H](C)[C@H](O)[C@]1(C)O	ZINC000257357800	572322052	/nfs/dbraw/zinc/32/20/52/572322052.db2.gz	PXDYILJJHOVNLO-OBNRBEPISA-N	2	1	590.799	0.976	50	0		KCAAMP
CC[C@@H]1OC(=O)[C@H](C)[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)C[C@@H]([NH+](C)C)[C@H]2O)[C@@](C)(O)C[C@@H](C)C[N@@H+](C)[C@@H](C)[C@H](O)[C@]1(C)O	ZINC000257357801	572322057	/nfs/dbraw/zinc/32/20/57/572322057.db2.gz	PXDYILJJHOVNLO-WAPWTAKDSA-N	2	1	590.799	0.976	50	0		KCAAMP