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)Nc1c([O-])nc(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)[n-]c1=O	ZINC000002746415	568806238	/nfs/dbraw/zinc/80/62/38/568806238.db2.gz	PITQUPDYPIREON-UHFFFAOYSA-N	-2	3	413.437	-1.477	50	0		HAAAHL
O=C(NC1C=NC(=O)[N-]C1=O)c1ccc2c(c1)C(=O)N(c1c[nH]c(=O)[n-]c1=O)C2=O	ZINC000002902776	557771180	/nfs/dbraw/zinc/77/11/80/557771180.db2.gz	PNRCAXXQGDCLPX-UHFFFAOYSA-N	-2	3	410.302	-1.507	50	0		HAAAHL
Cn1nc(N)c2cn([C@@H]3O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]3O)c3ncnc1c23	ZINC000003916663	557503398	/nfs/dbraw/zinc/50/33/98/557503398.db2.gz	URLYINUFLXOMHP-HTVVRFAVSA-N	-2	3	400.288	-1.371	50	0	investigational	HAAAHL
O=c1[n-]c(=O)c(Sc2nc3c(nc[n-]c3=O)n2[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)n[nH]1	ZINC000006142274	569014337	/nfs/dbraw/zinc/01/43/37/569014337.db2.gz	YIARQZNWUTYCAO-OVKQFXDSSA-N	-2	3	411.356	-3.346	50	0		HAAAHL
O=c1[n-]c(=O)c(Sc2nc3c(nc[n-]c3=O)n2[C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)n[nH]1	ZINC000006142276	569014382	/nfs/dbraw/zinc/01/43/82/569014382.db2.gz	YIARQZNWUTYCAO-DYJSEYNVSA-N	-2	3	411.356	-3.346	50	0		HAAAHL
CNC(=O)CN(CCN(CCN(CC(=O)[O-])CC(=O)NC)CC(=O)[O-])CC(=O)[O-]	ZINC000021297783	571314906	/nfs/dbraw/zinc/31/49/06/571314906.db2.gz	RZESKRXOCXWCFX-UHFFFAOYSA-N	-3	3	419.435	-3.362	50	0	world	HAAAHL
O=c1[n-]c(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1O[P@@](=O)([O-])OP(=O)([O-])[O-]	ZINC000034323705	569039336	/nfs/dbraw/zinc/03/93/36/569039336.db2.gz	BFCGPYPBXBAJMH-UAKXSSHOSA-N	-4	3	420.160	-3.263	50	0		HAAAHL
O=C([O-])[C@H](O)[C@@H]1O[C@H](n2cc(I)c(=O)[n-]c2=O)[C@@H](O)[C@@H]1O	ZINC000230074940	568716640	/nfs/dbraw/zinc/71/66/40/568716640.db2.gz	VMFQINVNGDHGDI-ZNOPXVRYSA-N	-2	3	414.108	-2.794	50	0		HAAAHL
O=c1[n-]c(=O)c(Sc2nc3c(nc[n-]c3=O)n2[C@H]2O[C@@H](CO)[C@H](O)[C@@H]2O)n[nH]1	ZINC000238950472	569228797	/nfs/dbraw/zinc/22/87/97/569228797.db2.gz	YIARQZNWUTYCAO-IKHMEKARSA-N	-2	3	411.356	-2.109	50	0		HAAAHL
O=c1[n-]c(=O)c(Sc2nc3c(nc[n-]c3=O)n2[C@H]2O[C@@H](CO)[C@H](O)[C@H]2O)n[nH]1	ZINC000238950475	569228791	/nfs/dbraw/zinc/22/87/91/569228791.db2.gz	YIARQZNWUTYCAO-ZCZPFZIZSA-N	-2	3	411.356	-2.109	50	0		HAAAHL
O=C([O-])[C@H](O)[C@@H]1O[C@H](n2cc(I)c(=O)[n-]c2=O)[C@H](O)[C@H]1O	ZINC000253529594	568754165	/nfs/dbraw/zinc/75/41/65/568754165.db2.gz	VMFQINVNGDHGDI-FBXMPTEYSA-N	-2	3	414.108	-2.382	50	0		HAAAHL
O=C([O-])[C@H](O)[C@@H]1O[C@H](n2cc(I)c(=O)[n-]c2=O)[C@@H](O)[C@H]1O	ZINC000253529595	568754182	/nfs/dbraw/zinc/75/41/82/568754182.db2.gz	VMFQINVNGDHGDI-OKTNJRDYSA-N	-2	3	414.108	-2.382	50	0		HAAAHL