smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COCCN1C(=O)C(=CNCCC[NH+]2CCN(C)CC2)C(=O)[N-]C1=S	ZINC000730971390	658050251	/nfs/dbraw/zinc/05/02/51/658050251.db2.gz	WIVOIRBTBDTMNN-OUKQBFOZSA-N	0	3	369.491	-1.013	20	10		FACDHN
COc1ccc(N2CCN(C[C@@H](O)CN[C@@H](CO)C(N)=O)CC2)cc1	ZINC000843073924	658670813	/nfs/dbraw/zinc/67/08/13/658670813.db2.gz	VQYZRUUYZURBBT-HOCLYGCPSA-N	0	3	352.435	-1.386	20	10		FACDHN
COc1ccc(N2CCN(C[C@H](O)CN[C@@H](CO)C(N)=O)CC2)cc1	ZINC000843073932	658671215	/nfs/dbraw/zinc/67/12/15/658671215.db2.gz	VQYZRUUYZURBBT-ZBFHGGJFSA-N	0	3	352.435	-1.386	20	10		FACDHN
COc1ccc(N2CCN(C[C@H](O)CNC[C@@H](O)C(N)=O)CC2)cc1	ZINC000843111328	658671148	/nfs/dbraw/zinc/67/11/48/658671148.db2.gz	LELWWWMTZWKPHA-GDBMZVCRSA-N	0	3	352.435	-1.386	20	10		FACDHN
COc1ccc(N2CCN(C[C@@H](O)CNC[C@@H](O)C(N)=O)CC2)cc1	ZINC000843111329	658670920	/nfs/dbraw/zinc/67/09/20/658670920.db2.gz	LELWWWMTZWKPHA-GOEBONIOSA-N	0	3	352.435	-1.386	20	10		FACDHN
COc1ccc(N2CCN(C[C@@H](O)CNC[C@H](O)C(N)=O)CC2)cc1	ZINC000843111330	658670965	/nfs/dbraw/zinc/67/09/65/658670965.db2.gz	LELWWWMTZWKPHA-HOCLYGCPSA-N	0	3	352.435	-1.386	20	10		FACDHN
COc1ccc(N2CCN(C[C@H](O)CNC[C@H](O)C(N)=O)CC2)cc1	ZINC000843111331	658671113	/nfs/dbraw/zinc/67/11/13/658671113.db2.gz	LELWWWMTZWKPHA-ZBFHGGJFSA-N	0	3	352.435	-1.386	20	10		FACDHN