smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C#CCN1CCC[C@@]1(CS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)N[O-]	ZINC000049836552	581095317	/nfs/dbraw/zinc/09/53/17/581095317.db2.gz	BHBGOKVZFAQJAD-OAQYLSRUSA-N	-1	3	414.483	2.226	1	30		HEEFHM
O=C(N[O-])[C@@]1(NS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CCOC1	ZINC000000590143	581099790	/nfs/dbraw/zinc/09/97/90/581099790.db2.gz	MEDAEECOIUAMSO-QGZVFWFLSA-N	-1	3	412.851	2.075	1	30		HEEFHM
C#CCN1CCC[C@]1(CS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)N[O-]	ZINC000049836553	581095343	/nfs/dbraw/zinc/09/53/43/581095343.db2.gz	BHBGOKVZFAQJAD-NRFANRHFSA-N	-1	3	414.483	2.226	1	30		HEEFHM
CC#CCOc1ccc(S(=O)(=O)N2CCSC3(CCCC3)[C@@H]2C(=O)N[O-])cc1	ZINC000028527679	581093805	/nfs/dbraw/zinc/09/38/05/581093805.db2.gz	LMASIGSKSCEZDY-KRWDZBQOSA-N	-1	3	424.544	2.013	1	30		HEEFHM
COc1ccc(S(=O)(=O)N2CCCCCSC(C)(C)[C@@H]2C(=O)N[O-])cc1	ZINC000013801754	581097620	/nfs/dbraw/zinc/09/76/20/581097620.db2.gz	AKNDZTHCJLFZCF-HNNXBMFYSA-N	-1	3	402.538	2.256	1	30		HEEFHM
CC#CCOc1ccc(S(=O)(=O)N2CCSC3(CCCC3)[C@H]2C(=O)N[O-])cc1	ZINC000028527681	581093754	/nfs/dbraw/zinc/09/37/54/581093754.db2.gz	LMASIGSKSCEZDY-QGZVFWFLSA-N	-1	3	424.544	2.013	1	30		HEEFHM
COc1ccc(-c2ccc(S(=O)(=O)N(CC(=O)N[O-])OC(C)C)s2)cc1	ZINC000043074503	581097419	/nfs/dbraw/zinc/09/74/19/581097419.db2.gz	JSQUVSOHRBZSNW-UHFFFAOYSA-N	-1	3	400.478	2.260	1	30		HEEFHM
CC1(C)SCCN(S(=O)(=O)c2ccc(Oc3cccnc3)cc2)[C@H]1C(=O)N[O-]	ZINC000026739271	581091658	/nfs/dbraw/zinc/09/16/58/581091658.db2.gz	YTRMRJDVKQXSIU-INIZCTEOSA-N	-1	3	423.516	2.264	1	30		HEEFHM