smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)NCC(=O)NCC(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1	ZINC000823994994	608574364	/nfs/dbraw/zinc/57/43/64/608574364.db2.gz	WBABFMWYAWYVAY-UHFFFAOYSA-N	0	2	367.757	-1.390	20	50		FAGDLN
O=C(CN1CC(=O)NC1=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1	ZINC000826409941	608577845	/nfs/dbraw/zinc/57/78/45/608577845.db2.gz	VKNZIBUQSZDKQK-UHFFFAOYSA-N	0	2	351.714	-1.090	20	50		FAGDLN
O=C(COc1ccc(-c2nn[nH]n2)cc1)NNC(=O)C[C@@H]1NC(=O)NC1=O	ZINC000826417515	608290324	/nfs/dbraw/zinc/29/03/24/608290324.db2.gz	TWBYLEZUDSWZHR-VIFPVBQESA-N	0	2	374.317	-2.009	20	50		FAGDLN
O=C([O-])NCC(=O)NNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1	ZINC000834200014	605456639	/nfs/dbraw/zinc/45/66/39/605456639.db2.gz	CBZUCDSKKUSAOP-LLVKDONJSA-N	0	2	371.394	-1.885	20	50		FAGDLN
O=C([O-])NCC(=O)NNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1	ZINC000834200017	605456929	/nfs/dbraw/zinc/45/69/29/605456929.db2.gz	CBZUCDSKKUSAOP-NSHDSACASA-N	0	2	371.394	-1.885	20	50		FAGDLN
O=C([O-])NCC(=O)NNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1	ZINC000834201585	605457720	/nfs/dbraw/zinc/45/77/20/605457720.db2.gz	LPFQSJBAZFMYTP-JTQLQIEISA-N	0	2	357.367	-2.418	20	50		FAGDLN
O=C([O-])NCC(=O)NNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1	ZINC000834201586	605457820	/nfs/dbraw/zinc/45/78/20/605457820.db2.gz	LPFQSJBAZFMYTP-SNVBAGLBSA-N	0	2	357.367	-2.418	20	50		FAGDLN
O=C([O-])NCC(=O)NNC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1	ZINC000834204993	605510230	/nfs/dbraw/zinc/51/02/30/605510230.db2.gz	SICWTQROWHOKAP-CYBMUJFWSA-N	0	2	361.424	-1.208	20	50		FAGDLN
O=C([O-])NCC(=O)NNC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1	ZINC000834204994	605509895	/nfs/dbraw/zinc/50/98/95/605509895.db2.gz	SICWTQROWHOKAP-ZDUSSCGKSA-N	0	2	361.424	-1.208	20	50		FAGDLN