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)c1nn(C)c(N2CCOCC2)c1C[NH2+][C@H]1CCCc2sccc21	ZINC000160957058	567841038	/nfs/dbraw/zinc/84/10/38/567841038.db2.gz	ITGVZLMKSBWISN-KRWDZBQOSA-N	1	0	374.554	3.609	10	70		FHIERO
CC(C)(C)c1csc([C@H]2CN(CCC[NH+]3CCCCC3)CCO2)n1	ZINC000161309207	567903064	/nfs/dbraw/zinc/90/30/64/567903064.db2.gz	ANYBRNQJTMCWOB-MRXNPFEDSA-N	1	0	351.560	3.690	10	70		FHIERO
CC(C)c1nn(C)c(N2CCOCC2)c1C[NH2+][C@@H]1CCCc2sccc21	ZINC000160956915	567840834	/nfs/dbraw/zinc/84/08/34/567840834.db2.gz	ITGVZLMKSBWISN-QGZVFWFLSA-N	1	0	374.554	3.609	10	70		FHIERO
CC(C)(C)c1csc([C@@H]2CN(CCC[NH+]3CCCCC3)CCO2)n1	ZINC000161309060	567903084	/nfs/dbraw/zinc/90/30/84/567903084.db2.gz	ANYBRNQJTMCWOB-INIZCTEOSA-N	1	0	351.560	3.690	10	70		FHIERO