smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[C@@H](NC(=O)Cc1ccc([O-])c(Cl)c1)c1nc(C)c(C)s1	ZINC000218179666	535788079	/nfs/dbraw/zinc/78/80/79/535788079.db2.gz	NFNNTDVGEDMXRJ-CYBMUJFWSA-N	-1	1	338.860	3.929	50	70		EHIAMM
O=C1C[C@@H](c2ccc([O-])c(Cl)c2)c2c(=O)oc3ccccc3c2O1	ZINC000217843275	241279492	/nfs/dbraw/zinc/27/94/92/241279492.db2.gz	HVBZCVDEAYTKIE-NSHDSACASA-N	-1	1	342.734	3.593	50	70	biogenic	EHIAMM
COC(=O)C[C@H](c1cccc2ccccc21)c1c([O-])cc(C)oc1=O	ZINC000217973946	241288083	/nfs/dbraw/zinc/28/80/83/241288083.db2.gz	ODQQYIFGCCCACJ-MRXNPFEDSA-N	-1	1	338.359	3.502	50	70	biogenic	EHIAMM
CC[C@H](NC(=O)Cc1ccc([O-])c(Cl)c1)c1nc(C)c(C)s1	ZINC000218179755	241304595	/nfs/dbraw/zinc/30/45/95/241304595.db2.gz	NFNNTDVGEDMXRJ-ZDUSSCGKSA-N	-1	1	338.860	3.929	50	70		EHIAMM
O=C1C[C@H](c2ccc([O-])c(Cl)c2)c2c(=O)oc3ccccc3c2O1	ZINC000217843371	241279248	/nfs/dbraw/zinc/27/92/48/241279248.db2.gz	HVBZCVDEAYTKIE-LLVKDONJSA-N	-1	1	342.734	3.593	50	70	biogenic	EHIAMM
COC(=O)C[C@@H](c1cccc2ccccc21)c1c([O-])cc(C)oc1=O	ZINC000217973851	536313340	/nfs/dbraw/zinc/31/33/40/536313340.db2.gz	ODQQYIFGCCCACJ-INIZCTEOSA-N	-1	1	338.359	3.502	50	70	biogenic	EHIAMM
CN(Cc1ccc2ncccc2c1)C(=O)Cc1ccc([O-])c(Cl)c1	ZINC000217706048	536474172	/nfs/dbraw/zinc/47/41/72/536474172.db2.gz	JOFDILMIBPZZPO-UHFFFAOYSA-N	-1	1	340.810	3.795	50	70		EHIAMM