smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1c(C)c(-c2cn([C@H]3C[C@H](O)[C@@H](CO[P@](=O)([O-])O)O3)c(=O)[nH]c2=O)c(OC)c2ccccc21	ZINC000027419266	561857427	/nfs/dbraw/zinc/85/74/27/561857427.db2.gz	GPKLMBQOEQLVIH-GVDBMIGSSA-N	-1	2	508.420	1.440	10	0		KDAELM
COc1c(C)c(-c2cn([C@H]3C[C@H](O)[C@@H](CO[P@@](=O)([O-])O)O3)c(=O)[nH]c2=O)c(OC)c2ccccc21	ZINC000027419266	561857425	/nfs/dbraw/zinc/85/74/25/561857425.db2.gz	GPKLMBQOEQLVIH-GVDBMIGSSA-N	-1	2	508.420	1.440	10	0		KDAELM
CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H]([NH3+])Cc1ccc(O[P@](=O)([O-])O)cc1)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)[O-]	ZINC000027436267	561860075	/nfs/dbraw/zinc/86/00/75/561860075.db2.gz	WDWOYRXCDMLVRA-KEOOTSPTSA-N	-1	2	701.780	1.013	10	0		KDAELM
CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H]([NH3+])Cc1ccc(O[P@@](=O)([O-])O)cc1)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)[O-]	ZINC000027436267	561860074	/nfs/dbraw/zinc/86/00/74/561860074.db2.gz	WDWOYRXCDMLVRA-KEOOTSPTSA-N	-1	2	701.780	1.013	10	0		KDAELM
CCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)([O-])O)[C@H]2O[C@H](/C=C/c3ccccc3)O[C@H]21	ZINC000029124639	561997151	/nfs/dbraw/zinc/99/71/51/561997151.db2.gz	NXHAXEBZOXCDKD-XIXRRVGJSA-N	-1	2	532.450	1.798	10	0	investigational	KDAELM
CCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)([O-])O)[C@H]2O[C@H](/C=C/c3ccccc3)O[C@H]21	ZINC000029124639	561997149	/nfs/dbraw/zinc/99/71/49/561997149.db2.gz	NXHAXEBZOXCDKD-XIXRRVGJSA-N	-1	2	532.450	1.798	10	0	investigational	KDAELM
COC(=O)[C@H]1O[C@@H](Oc2cc(=O)c3c(O)c(-c4ccc(OS(=O)(=O)[O-])cc4)coc-3c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000077293048	553659939	/nfs/dbraw/zinc/65/99/39/553659939.db2.gz	RGMSZZAWXFJQNL-YYDZWWTMSA-N	-1	2	666.566	1.419	10	0	in-vitro	KDAELM
CC(=O)N[C@H](CC(C)C)C(=O)N[C@H](CCC(=O)[O-])C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](CC(=O)[O-])C(=O)Nc1ccc2c(c1)oc(=O)cc2C(F)(F)F	ZINC000097943366	553768556	/nfs/dbraw/zinc/76/85/56/553768556.db2.gz	HULKIXRFKRCRHD-LWSSLDFYSA-N	-1	2	765.699	1.061	10	0		KDAELM
CC(=O)N[C@H](CC(C)C)C(=O)N[C@H](CCC(=O)[O-])C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](CC(=O)[O-])C(=O)Nc1ccc2c(c1)oc(=O)cc2C(F)(F)F	ZINC000097943366	553768555	/nfs/dbraw/zinc/76/85/55/553768555.db2.gz	HULKIXRFKRCRHD-LWSSLDFYSA-N	-1	2	765.699	1.061	10	0		KDAELM