smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
OCCN1CCN(CCCNc2c3ccccc3[nH+]c3ccccc32)CC1	ZINC000061997400	221138204	/nfs/dbraw/zinc/13/82/04/221138204.db2.gz	RWOHIZRCLKMSKA-UHFFFAOYSA-N	1	3	364.493	2.800	50	10		FFCAHO
COCC[NH+]1CCC(C[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)CC1	ZINC000012707207	220020194	/nfs/dbraw/zinc/02/01/94/220020194.db2.gz	LRHAYJGWAQUGQJ-FQEVSTJZSA-N	1	3	362.514	2.732	50	10		FFCAHO
COCC[NH+]1CCC(C[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)CC1	ZINC000012707207	220020195	/nfs/dbraw/zinc/02/01/95/220020195.db2.gz	LRHAYJGWAQUGQJ-FQEVSTJZSA-N	1	3	362.514	2.732	50	10		FFCAHO
COCC[NH+]1CCC(C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)CC1	ZINC000012707215	220019804	/nfs/dbraw/zinc/01/98/04/220019804.db2.gz	LRHAYJGWAQUGQJ-HXUWFJFHSA-N	1	3	362.514	2.732	50	10		FFCAHO
COCC[NH+]1CCC(C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)CC1	ZINC000012707215	220019806	/nfs/dbraw/zinc/01/98/06/220019806.db2.gz	LRHAYJGWAQUGQJ-HXUWFJFHSA-N	1	3	362.514	2.732	50	10		FFCAHO