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+]1CCC[C@]2(CC[NH+](C3CCN(c4ccc5c(c4)OCO5)CC3)C2)C1	ZINC000012436059	132359976	/nfs/dbraw/zinc/35/99/76/132359976.db2.gz	OFKQSYHYACMMLH-QHCPKHFHSA-N	2	1	401.551	2.818	10	10		HFCEMP
COCC[N@H+]1CCC[C@]2(CC[NH+](C3CCN(c4ccc5c(c4)OCO5)CC3)C2)C1	ZINC000012436059	132359978	/nfs/dbraw/zinc/35/99/78/132359978.db2.gz	OFKQSYHYACMMLH-QHCPKHFHSA-N	2	1	401.551	2.818	10	10		HFCEMP
COCC[NH+]1CCC[C@]2(CC[N@@H+](C3CCN(c4ccc5c(c4)OCO5)CC3)C2)C1	ZINC000012436059	132359979	/nfs/dbraw/zinc/35/99/79/132359979.db2.gz	OFKQSYHYACMMLH-QHCPKHFHSA-N	2	1	401.551	2.818	10	10		HFCEMP
COCC[NH+]1CCC[C@]2(CC[N@H+](C3CCN(c4ccc5c(c4)OCO5)CC3)C2)C1	ZINC000012436059	132359981	/nfs/dbraw/zinc/35/99/81/132359981.db2.gz	OFKQSYHYACMMLH-QHCPKHFHSA-N	2	1	401.551	2.818	10	10		HFCEMP
COCC[N@@H+]1CCC[C@@]2(CC[NH+](C3CCN(c4ccc5c(c4)OCO5)CC3)C2)C1	ZINC000012436057	132359936	/nfs/dbraw/zinc/35/99/36/132359936.db2.gz	OFKQSYHYACMMLH-HSZRJFAPSA-N	2	1	401.551	2.818	10	10		HFCEMP
COCC[N@H+]1CCC[C@@]2(CC[NH+](C3CCN(c4ccc5c(c4)OCO5)CC3)C2)C1	ZINC000012436057	132359937	/nfs/dbraw/zinc/35/99/37/132359937.db2.gz	OFKQSYHYACMMLH-HSZRJFAPSA-N	2	1	401.551	2.818	10	10		HFCEMP
COCC[NH+]1CCC[C@@]2(CC[N@@H+](C3CCN(c4ccc5c(c4)OCO5)CC3)C2)C1	ZINC000012436057	132359938	/nfs/dbraw/zinc/35/99/38/132359938.db2.gz	OFKQSYHYACMMLH-HSZRJFAPSA-N	2	1	401.551	2.818	10	10		HFCEMP
COCC[NH+]1CCC[C@@]2(CC[N@H+](C3CCN(c4ccc5c(c4)OCO5)CC3)C2)C1	ZINC000012436057	132359939	/nfs/dbraw/zinc/35/99/39/132359939.db2.gz	OFKQSYHYACMMLH-HSZRJFAPSA-N	2	1	401.551	2.818	10	10		HFCEMP