smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)[C@@H]1C([O-])=C(C(=O)NCN2CCCC2)C(=O)[C@@]2(O)C(=O)C3=C([O-])c4c(O)cccc4[C@@](C)(O)[C@H]3C[C@@H]12	ZINC000014880004	553520723	/nfs/dbraw/zinc/52/07/23/553520723.db2.gz	HMEYVGGHISAPJR-IAHYZSEUSA-N	-2	3	527.574	0.470	50	30	world	KCEAHL
CN(C)[C@@H]1C(=O)C(C(=O)NCN2CCCC2)=C([O-])[C@@]2(O)C(=O)C3=C([O-])c4c(O)cccc4[C@@](C)(O)[C@H]3C[C@@H]12	ZINC000014880004	553520721	/nfs/dbraw/zinc/52/07/21/553520721.db2.gz	HMEYVGGHISAPJR-IAHYZSEUSA-N	-2	3	527.574	0.470	50	30	world	KCEAHL
O=C1c2cc(S(=O)(=O)[O-])ccc2[N-]C1=C1[N-]c2c(cc(S(=O)(=O)[O-])cc2S(=O)(=O)[O-])C1=O	ZINC000100078286	554205536	/nfs/dbraw/zinc/20/55/36/554205536.db2.gz	CNNOYTGBYSBIAQ-BUHFOSPRSA-N	-5	3	502.460	0.555	50	30		KCEAHL