smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1c(C(=O)[O-])cc(OC)c(OC)c1OC	ZINC000013032834	569307365	/nfs/dbraw/zinc/30/73/65/569307365.db2.gz	CAPFUWMDVDWPPU-UHFFFAOYSA-N	-1	2	442.402	2.128	50	5		IEBALM
COc1cnnc([N-]S(=O)(=O)c2ccc(Nc3ncc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)c1	ZINC000009556274	569546816	/nfs/dbraw/zinc/54/68/16/569546816.db2.gz	QFPSBIDJANVNKL-UHFFFAOYSA-N	-1	2	447.389	2.241	50	5		IEBALM
COc1nccnc1[N-]S(=O)(=O)c1ccc(Nc2ncc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	ZINC000033397015	557326400	/nfs/dbraw/zinc/32/64/00/557326400.db2.gz	QXSWEEUICBIZMO-UHFFFAOYSA-N	-1	2	447.389	2.241	50	5		IEBALM
COc1nccnc1NS(=O)(=O)c1ccc([N-]c2ncc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	ZINC000033397015	557326403	/nfs/dbraw/zinc/32/64/03/557326403.db2.gz	QXSWEEUICBIZMO-UHFFFAOYSA-N	-1	2	447.389	2.241	50	5		IEBALM