smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])c1ccc(O)cc1-n1c(=O)c2ccc3c(=O)n(-c4cc(O)ccc4C(=O)[O-])c(=O)c4ccc(c1=O)c2c34	ZINC000002819989	1066205907	/nfs/dbraw/zinc/20/59/07/1066205907.db2.gz	WCUQPHFJDUOUCU-UHFFFAOYSA-N	-2	0	538.424	1.852	50	5		KDBARL
O=c1[n-]n2cc(-c3n[nH]c(-c4cnc5c(Br)c(=O)[n-]n5c4)c3[N+](=O)[O-])cnc2c1Br	ZINC000003178361	552300105	/nfs/dbraw/zinc/30/01/05/552300105.db2.gz	ZXUYYFPIPVTPJS-UHFFFAOYSA-N	-2	0	537.088	1.849	50	5		KDBARL
O=S(=O)([O-])c1cc(S(=O)(=O)[O-])c2ccc3c4c(ccc1c24)c(S(=O)(=O)[O-])cc3S(=O)(=O)[O-]	ZINC000004262432	552454398	/nfs/dbraw/zinc/45/43/98/552454398.db2.gz	CZLSHVQVNDDHDQ-UHFFFAOYSA-N	-4	0	522.512	1.571	50	5	in-vitro	KDBARL
O=C([O-])c1cc(C(=O)[O-])cc(-n2c(=O)c3ccc4c(=O)n(-c5cc(C(=O)[O-])cc(C(=O)[O-])c5)c(=O)c5ccc(c2=O)c3c45)c1	ZINC000008386292	552991900	/nfs/dbraw/zinc/99/19/00/552991900.db2.gz	RYFYCPDCRKHALS-UHFFFAOYSA-N	-4	0	594.444	1.837	50	5		KDBARL
O=C([O-])c1cc(NS(=O)(=O)c2ccc(NCCCN3CCOCC3)c([N+](=O)[O-])c2)cc(C(=O)[O-])c1	ZINC000013610576	553477799	/nfs/dbraw/zinc/47/77/99/553477799.db2.gz	NKLFADDSQYYDKV-UHFFFAOYSA-N	-2	0	508.509	1.926	50	5		KDBARL
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]NC(=S)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)cc1	ZINC000020534559	553670952	/nfs/dbraw/zinc/67/09/52/553670952.db2.gz	OZADCHNIYIKNNH-UHFFFAOYSA-N	-2	0	509.551	1.366	50	5		KDBARL
C[C@H](O[P@@](=O)([O-])O[P@@](=O)([O-])O[P@@](=O)([O-])OC[C@H]1O[C@@H](n2cnc3c2ncnc3N)[C@H](O)[C@@H]1O)c1ccccc1[N+](=O)[O-]	ZINC000098208638	554176811	/nfs/dbraw/zinc/17/68/11/554176811.db2.gz	UOLVQBSMMHANLG-YBGGAFRISA-N	-3	0	656.331	1.065	50	5	in-vitro	KDBARL