smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)C[C@H](c1ccc([O-])c(Cl)c1)c1oc(CN2CCOCC2)cc(=O)c1O	ZINC000218305281	568478103	/nfs/dbraw/zinc/47/81/03/568478103.db2.gz	DIEJLDSAAMTPEE-CQSZACIVSA-N	-1	1	423.849	2.232	50	70		HEIAMM
COc1cc(OC)c([C@@H](CC(N)=O)c2c(Cc3ccccc3)[n-][nH]c2=O)cc1OC	ZINC000218552043	568481746	/nfs/dbraw/zinc/48/17/46/568481746.db2.gz	YJDQRMCMVMYXDA-OAHLLOKOSA-N	-1	1	411.458	2.327	50	70		HEIAMM
COc1cc(OC)c([C@H](CC(N)=O)c2c(Cc3ccccc3)[n-][nH]c2=O)cc1OC	ZINC000218551975	568481748	/nfs/dbraw/zinc/48/17/48/568481748.db2.gz	YJDQRMCMVMYXDA-HNNXBMFYSA-N	-1	1	411.458	2.327	50	70		HEIAMM
COC(=O)C[C@@H](c1ccc([O-])c(Cl)c1)c1oc(CN2CCOCC2)cc(=O)c1O	ZINC000218305340	568478115	/nfs/dbraw/zinc/47/81/15/568478115.db2.gz	DIEJLDSAAMTPEE-AWEZNQCLSA-N	-1	1	423.849	2.232	50	70		HEIAMM
COc1cc([C@@H](CC(N)=O)c2c(Cc3ccccc3)[n-][nH]c2=O)cc(OC)c1OC	ZINC000218559886	568481794	/nfs/dbraw/zinc/48/17/94/568481794.db2.gz	DVTNBCBUUIDRQO-OAHLLOKOSA-N	-1	1	411.458	2.327	50	70		HEIAMM
COc1ccc2c(ccn2CCNC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)c1	ZINC000218524529	568481463	/nfs/dbraw/zinc/48/14/63/568481463.db2.gz	VXABIVLQJBQZHN-UHFFFAOYSA-N	-1	1	407.474	2.352	50	70		HEIAMM
COc1ccc([C@@H](CC(N)=O)c2c(Cc3ccc4c(c3)CCO4)[n-][nH]c2=O)cc1OC	ZINC000218441843	568480449	/nfs/dbraw/zinc/48/04/49/568480449.db2.gz	MRQJYFMZVIWJIO-MRXNPFEDSA-N	-1	1	423.469	2.253	50	70		HEIAMM
COc1ccc([C@@H](CC(N)=O)c2c(Cc3ccc4c(c3)CCO4)[n-][nH]c2=O)c(OC)c1	ZINC000218602546	568482394	/nfs/dbraw/zinc/48/23/94/568482394.db2.gz	OBCGCZGQMCAFPM-QGZVFWFLSA-N	-1	1	423.469	2.253	50	70		HEIAMM
COc1ccc([C@H](CC(N)=O)c2c(Cc3ccc4c(c3)CCO4)[n-][nH]c2=O)cc1OC	ZINC000218441767	568480452	/nfs/dbraw/zinc/48/04/52/568480452.db2.gz	MRQJYFMZVIWJIO-INIZCTEOSA-N	-1	1	423.469	2.253	50	70		HEIAMM
COc1ccc([C@H](CC(N)=O)c2c(Cc3ccc4c(c3)CCO4)[n-][nH]c2=O)c(OC)c1	ZINC000218602472	568482407	/nfs/dbraw/zinc/48/24/07/568482407.db2.gz	OBCGCZGQMCAFPM-KRWDZBQOSA-N	-1	1	423.469	2.253	50	70		HEIAMM
COc1cc([C@H](CC(N)=O)c2c(Cc3ccccc3)[n-][nH]c2=O)cc(OC)c1OC	ZINC000218559810	568481733	/nfs/dbraw/zinc/48/17/33/568481733.db2.gz	DVTNBCBUUIDRQO-HNNXBMFYSA-N	-1	1	411.458	2.327	50	70		HEIAMM