smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COCC[N@@H+](Cc1cc(OC)ccc1O)CC1CCN(Cc2ccccc2F)CC1	ZINC000011753907	558272849	/nfs/dbraw/zinc/27/28/49/558272849.db2.gz	ZNKMPALUMUDSRZ-UHFFFAOYSA-N	1	3	416.537	3.901	50	10		HHCAHO
COCC[N@H+](Cc1cc(OC)ccc1O)CC1CCN(Cc2ccccc2F)CC1	ZINC000011753907	558272851	/nfs/dbraw/zinc/27/28/51/558272851.db2.gz	ZNKMPALUMUDSRZ-UHFFFAOYSA-N	1	3	416.537	3.901	50	10		HHCAHO
CN1CCC([NH+]2CCC(C[N@H+](Cc3ccncc3)Cc3ccccc3[O-])CC2)CC1	ZINC000012304617	558373850	/nfs/dbraw/zinc/37/38/50/558373850.db2.gz	LCBPKZMRZLHAPP-UHFFFAOYSA-N	1	3	408.590	3.596	50	10		HHCAHO
CN1CCC([NH+]2CCC(C[N@@H+](Cc3ccncc3)Cc3ccccc3[O-])CC2)CC1	ZINC000012304617	558373852	/nfs/dbraw/zinc/37/38/52/558373852.db2.gz	LCBPKZMRZLHAPP-UHFFFAOYSA-N	1	3	408.590	3.596	50	10		HHCAHO