smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)O[C@H](CO)[C@@H](OC(C)=O)[C@@H](Cn1c2cc(C)c(C)cc2nc2c(=O)[n-]c(=O)nc1-2)OC(C)=O	ZINC000020356920	553642157	/nfs/dbraw/zinc/64/21/57/553642157.db2.gz	SHJHCYNZBLNVNV-GGPKGHCWSA-N	-1	0	502.480	-0.011	10	5		KBBERM
CC(=O)O[C@H](CO)[C@H](OC(C)=O)[C@@H](Cn1c2cc(C)c(C)cc2nc2c(=O)[n-]c(=O)nc1-2)OC(C)=O	ZINC000020356922	553642267	/nfs/dbraw/zinc/64/22/67/553642267.db2.gz	SHJHCYNZBLNVNV-QWFCFKBJSA-N	-1	0	502.480	-0.011	10	5		KBBERM
CC(=O)O[C@H](CO)[C@@H](OC(C)=O)[C@H](Cn1c2cc(C)c(C)cc2nc2c(=O)[n-]c(=O)nc1-2)OC(C)=O	ZINC000036015067	554135502	/nfs/dbraw/zinc/13/55/02/554135502.db2.gz	SHJHCYNZBLNVNV-NSHGMRRFSA-N	-1	0	502.480	-0.011	10	5		KBBERM
CC(=O)O[C@H](CO)[C@H](OC(C)=O)[C@H](Cn1c2cc(C)c(C)cc2nc2c(=O)[n-]c(=O)nc1-2)OC(C)=O	ZINC000036015070	554135387	/nfs/dbraw/zinc/13/53/87/554135387.db2.gz	SHJHCYNZBLNVNV-NLWGTHIKSA-N	-1	0	502.480	-0.011	10	5		KBBERM
C[N+](C)(C)CCO[P@@](=O)([O-])O[P@@](=O)([O-])OC[C@H]1O[C@@H](n2ccc(N)nc2=O)C(F)(F)[C@H]1O	ZINC000065742747	554527225	/nfs/dbraw/zinc/52/72/25/554527225.db2.gz	WEAJNZCNBIEIHD-ADEWGFFLSA-O	-1	0	509.316	-0.324	10	5	in-vitro	KBBERM
C[N+](C)(C)CCO[P@@](=O)([O-])O[P@@](=O)([O-])OC[C@H]1O[C@@H](n2ccc(N)nc2=O)C(F)(F)[C@@H]1O	ZINC000102210084	717145529	/nfs/dbraw/zinc/14/55/29/717145529.db2.gz	WEAJNZCNBIEIHD-YUSALJHKSA-O	-1	0	509.316	-0.324	10	5		KBBERM
C[N+](C)(C)CCO[P@](=O)([O-])O[P@](=O)([O-])OC[C@@H]1O[C@H](n2ccc(N)nc2=O)C(F)(F)[C@H]1O	ZINC000504105695	717182884	/nfs/dbraw/zinc/18/28/84/717182884.db2.gz	WEAJNZCNBIEIHD-DLOVCJGASA-O	-1	0	509.316	-0.081	10	5		KBBERM
C[N+](C)(C)CCO[P@](=O)([O-])O[P@](=O)([O-])OC[C@@H]1O[C@@H](n2ccc(N)nc2=O)C(F)(F)[C@@H]1O	ZINC000504105698	717182852	/nfs/dbraw/zinc/18/28/52/717182852.db2.gz	WEAJNZCNBIEIHD-MVWJERBFSA-O	-1	0	509.316	-0.081	10	5		KBBERM
C[N+](C)(C)CCO[P@](=O)([O-])O[P@](=O)([O-])OC[C@@H]1O[C@H](n2ccc(N)nc2=O)C(F)(F)[C@@H]1O	ZINC000504105699	717182743	/nfs/dbraw/zinc/18/27/43/717182743.db2.gz	WEAJNZCNBIEIHD-WCQGTBRESA-O	-1	0	509.316	-0.081	10	5		KBBERM
C[N+](C)(C)CCO[P@](=O)([O-])O[P@](=O)([O-])OC[C@@H]1O[C@@H](n2ccc(N)nc2=O)C(F)(F)[C@H]1O	ZINC000504105700	717182667	/nfs/dbraw/zinc/18/26/67/717182667.db2.gz	WEAJNZCNBIEIHD-ZMLRMANQSA-O	-1	0	509.316	-0.081	10	5		KBBERM