smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CSCC[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)N1CC[NH+](CCO)CC1	ZINC000514384095	1066205965	/nfs/dbraw/zinc/20/59/65/1066205965.db2.gz	LFCJSEJDNBKLKV-FQEVSTJZSA-N	1	2	514.670	-0.305	20	0		KBADLO
CSCC[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)N1CC[NH+](CCO)CC1	ZINC000514384096	1066206066	/nfs/dbraw/zinc/20/60/66/1066206066.db2.gz	LFCJSEJDNBKLKV-HXUWFJFHSA-N	1	2	514.670	-0.305	20	0		KBADLO
CC(C)Cn1c(N)c(C(=O)C[NH+]2CCC(C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)c(=O)n(C)c1=O	ZINC000514386902	1066205946	/nfs/dbraw/zinc/20/59/46/1066205946.db2.gz	HYTRRTJEQGJVCV-UHFFFAOYSA-N	1	2	520.612	-0.034	20	0		KBADLO
O=C(CC[NH+]1CCN(C(=O)C(=O)N2CCOCC2)CC1)Nc1cccc(S(=O)(=O)N2CCCC2)c1	ZINC000514392229	1066207245	/nfs/dbraw/zinc/20/72/45/1066207245.db2.gz	SRCWXWSXQZZTCY-UHFFFAOYSA-N	1	2	507.613	-0.197	20	0		KBADLO