smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1nc2c(c(=O)[n-]1)N[C@@H](CNc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1)CN2	ZINC000013511671	556510627	/nfs/dbraw/zinc/51/06/27/556510627.db2.gz	GTHBYNYDVOUIBB-SGMGOOAPSA-N	-3	3	445.436	-1.670	10	0	in-vitro	IAAEHL
Nc1nc2c(c(=O)[n-]1)N[C@@H](CNc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1)CN2	ZINC000013511674	556510603	/nfs/dbraw/zinc/51/06/03/556510603.db2.gz	GTHBYNYDVOUIBB-OBJOEFQTSA-N	-3	3	445.436	-1.670	10	0	in-vitro	IAAEHL
Nc1nc2c(ncn2[C@@H]2O[C@H](CO[P@](=O)([O-])CP(=O)([O-])[O-])[C@@H](O)[C@H]2O)c(=O)[nH]1	ZINC000013549556	562992820	/nfs/dbraw/zinc/99/28/20/562992820.db2.gz	OCJWYBKRHNXUME-KQYNXXCUSA-N	-3	3	441.230	-2.342	10	0	in-vivo	IAAEHL
[NH3+]CCNC(=O)CN(CCN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])CC(=O)[O-]	ZINC000028000757	563049299	/nfs/dbraw/zinc/04/92/99/563049299.db2.gz	FWRJFRXIMFEPLI-UHFFFAOYSA-N	-3	3	435.434	-3.694	10	0		IAAEHL
O=c1[n-]cnc2c1nc(Br)n2[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O	ZINC000048999975	563135166	/nfs/dbraw/zinc/13/51/66/563135166.db2.gz	DAKIWOGVDCFLAA-UUOKFMHZSA-N	-3	3	427.104	-1.389	10	0		IAAEHL
O=C([O-])C[P@@](=O)([O-])OC[C@H]1O[C@@H](n2cc(Br)c(=O)[n-]c2=O)[C@@H](O)[C@@H]1O	ZINC000049020397	563135603	/nfs/dbraw/zinc/13/56/03/563135603.db2.gz	HWMHOKNUWQKHAI-PJGXCUNHSA-N	-3	3	445.115	-1.795	10	0		IAAEHL