smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@H](CN1CCOCC1)[N-]S(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-]	ZINC000032935728	556678522	/nfs/dbraw/zinc/67/85/22/556678522.db2.gz	DAAFCCGFEJFGGP-LBPRGKRZSA-N	-1	3	436.512	-0.156	50	5		IBBAHM
C[C@H](CN1CCOCC1)[N-]S(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-]	ZINC000032935729	556678557	/nfs/dbraw/zinc/67/85/57/556678557.db2.gz	DAAFCCGFEJFGGP-GFCCVEGCSA-N	-1	3	436.512	-0.156	50	5		IBBAHM
O=C(CN1CCN(C(=O)C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1)NC1CC1	ZINC000253423152	569266963	/nfs/dbraw/zinc/26/69/63/569266963.db2.gz	QOHMJIZDBAESHS-UHFFFAOYSA-N	-1	3	425.467	-0.704	50	5		IBBAHM