smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(CCS(=O)(=O)CC[NH+]1CCCCC1)NCNC(=O)CCS(=O)(=O)CC[NH+]1CCCCC1	ZINC000006142586	552543922	/nfs/dbraw/zinc/54/39/22/552543922.db2.gz	JJWLAMGGDNQRSW-UHFFFAOYSA-N	2	2	508.707	-0.242	50	0		KBAALP
CCCC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N(C)CC(N)=O	ZINC000150352599	571462487	/nfs/dbraw/zinc/46/24/87/571462487.db2.gz	NINOPZAAGJJNAR-YDPTYEFTSA-N	2	2	784.923	-0.135	50	0		KBAALP
CCCC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N(C)CC(N)=O	ZINC000150352599	571462485	/nfs/dbraw/zinc/46/24/85/571462485.db2.gz	NINOPZAAGJJNAR-YDPTYEFTSA-N	2	2	784.923	-0.135	50	0		KBAALP
CC(C)[C@H]1NC(=O)[C@H](Cc2ccccc2)N=C2C=C(CCNC(=O)[C@H](C)NC1=O)[NH+]=C(N1CC[NH+](CCO)CC1)N2	ZINC000952856949	1066216719	/nfs/dbraw/zinc/21/67/19/1066216719.db2.gz	JWUQARRCLNJZRG-GRYUFTJMSA-N	2	2	566.707	-0.385	50	0		KBAALP