smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1nc(N)c2cn([C@H]3O[C@@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]3O)c3ncnc1c23	ZINC000005385243	557649880	/nfs/dbraw/zinc/64/98/80/557649880.db2.gz	URLYINUFLXOMHP-BUGNERGVSA-N	-2	3	400.288	-1.371	40	0		HAABHL
Cn1nc(N)c2cn([C@@H]3O[C@@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]3O)c3ncnc1c23	ZINC000005385244	557649889	/nfs/dbraw/zinc/64/98/89/557649889.db2.gz	URLYINUFLXOMHP-FCCZHNFCSA-N	-2	3	400.288	-1.371	40	0		HAABHL
Cn1nc(N)c2cn([C@H]3O[C@@H](COP(=O)([O-])[O-])[C@@H](O)[C@@H]3O)c3ncnc1c23	ZINC000005385245	557650124	/nfs/dbraw/zinc/65/01/24/557650124.db2.gz	URLYINUFLXOMHP-DUWABBFASA-N	-2	3	400.288	-1.371	40	0		HAABHL
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	ZINC000006142275	557690506	/nfs/dbraw/zinc/69/05/06/557690506.db2.gz	YIARQZNWUTYCAO-SMFQZBTLSA-N	-2	3	411.356	-3.346	40	0		HAABHL
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	ZINC000006142277	560739649	/nfs/dbraw/zinc/73/96/49/560739649.db2.gz	YIARQZNWUTYCAO-NZPVLBTQSA-N	-2	3	411.356	-3.346	40	0		HAABHL
O=c1[n-]c(=O)n([C@H]2O[C@@H](CO[P@@](=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]2O)cc1F	ZINC000008617535	557797206	/nfs/dbraw/zinc/79/72/06/557797206.db2.gz	FOZCNVFQOJRHFF-FJDLHZNMSA-N	-4	3	422.151	-2.479	40	0		HAABHL
O=c1[n-]c(=O)n([C@@H]2O[C@@H](CO[P@@](=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]2O)cc1F	ZINC000008617536	557797181	/nfs/dbraw/zinc/79/71/81/557797181.db2.gz	FOZCNVFQOJRHFF-LENIQADQSA-N	-4	3	422.151	-2.479	40	0		HAABHL
O=c1[n-]c(=O)n([C@H]2O[C@@H](CO[P@@](=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@@H]2O)cc1F	ZINC000008617537	557797202	/nfs/dbraw/zinc/79/72/02/557797202.db2.gz	FOZCNVFQOJRHFF-GCJQMDKQSA-N	-4	3	422.151	-2.479	40	0		HAABHL
O=c1[n-]c(=O)n([C@@H]2O[C@@H](CO[P@@](=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@@H]2O)cc1F	ZINC000008617538	557797129	/nfs/dbraw/zinc/79/71/29/557797129.db2.gz	FOZCNVFQOJRHFF-SKHQTKALSA-N	-4	3	422.151	-2.479	40	0		HAABHL
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	ZINC000011582476	560772335	/nfs/dbraw/zinc/77/23/35/560772335.db2.gz	YIARQZNWUTYCAO-IPQUBLOASA-N	-2	3	411.356	-3.346	40	0		HAABHL
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	ZINC000011582477	560772367	/nfs/dbraw/zinc/77/23/67/560772367.db2.gz	YIARQZNWUTYCAO-DWENXGQPSA-N	-2	3	411.356	-3.346	40	0		HAABHL
N[C@@H](CCC(=O)[O-])C(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-]	ZINC000013535643	560218915	/nfs/dbraw/zinc/21/89/15/560218915.db2.gz	BUZMZDDKFCSKOT-CIUDSAMLSA-N	-4	3	405.360	-2.038	40	0	in-vitro	HAABHL
C[C@@H](O)[C@H](NC(=O)[C@@H](N)CCC(=O)[O-])C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-]	ZINC000015721409	558749653	/nfs/dbraw/zinc/74/96/53/558749653.db2.gz	VHPVBPCCWVDGJL-IRIUXVKKSA-N	-2	3	411.411	-1.438	40	0		HAABHL
CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-]	ZINC000015721454	558749636	/nfs/dbraw/zinc/74/96/36/558749636.db2.gz	UNOPRHLQSPTPBF-RVBZMBCESA-N	-3	3	418.403	-2.520	40	0		HAABHL
Cn1nc(N)c2cn([C@@H]3O[C@@H](COP(=O)([O-])[O-])[C@@H](O)[C@@H]3O)c3ncnc1c23	ZINC000017104328	571310868	/nfs/dbraw/zinc/31/08/68/571310868.db2.gz	URLYINUFLXOMHP-VPFIQFBESA-N	-2	3	400.288	-1.371	40	0		HAABHL
O=C([O-])C1=C[C@H](O)[C@@H](O)[C@H](O[C@H]2[C@H](O)[C@@H]([N-]S(=O)(=O)[O-])[C@H](O)O[C@@H]2CO)O1	ZINC000033969763	558772503	/nfs/dbraw/zinc/77/25/03/558772503.db2.gz	BWLVBDNSYNAYLV-VNBYMBLMSA-N	-3	3	417.345	-4.750	40	0		HAABHL
O=C([O-])[C@@H](O)[C@@H]1O[C@H](n2cc(I)c(=O)[n-]c2=O)[C@H](O)[C@@H]1O	ZINC000036644244	558800665	/nfs/dbraw/zinc/80/06/65/558800665.db2.gz	VMFQINVNGDHGDI-ZWGHOWJVSA-N	-2	3	414.108	-2.794	40	0		HAABHL
O=C([O-])[C@@H](O)[C@@H]1O[C@@H](n2cc(I)c(=O)[n-]c2=O)[C@H](O)[C@@H]1O	ZINC000036644245	558800694	/nfs/dbraw/zinc/80/06/94/558800694.db2.gz	VMFQINVNGDHGDI-UXTLFEIASA-N	-2	3	414.108	-2.794	40	0		HAABHL
O=C([O-])[C@@H](O)[C@@H]1O[C@H](n2cc(I)c(=O)[n-]c2=O)[C@@H](O)[C@@H]1O	ZINC000036644246	557849353	/nfs/dbraw/zinc/84/93/53/557849353.db2.gz	VMFQINVNGDHGDI-WBPSRJQOSA-N	-2	3	414.108	-2.794	40	0		HAABHL
O=C([O-])[C@@H](O)[C@@H]1O[C@@H](n2cc(I)c(=O)[n-]c2=O)[C@@H](O)[C@@H]1O	ZINC000036644247	558800725	/nfs/dbraw/zinc/80/07/25/558800725.db2.gz	VMFQINVNGDHGDI-GRJZWZNASA-N	-2	3	414.108	-2.794	40	0		HAABHL
Cc1cc(=O)oc2cc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3[N-]S(=O)(=O)[O-])ccc12	ZINC000044699305	526151449	/nfs/dbraw/zinc/15/14/49/526151449.db2.gz	WTEDCRZHOZSQII-BTAUDXDXSA-N	-2	3	417.392	-1.320	40	0	in-vitro	HAABHL
O=C([O-])C1=C[C@H](O)[C@@H](O)[C@H](O[C@H]2[C@H](O)[C@@H]([N-]S(=O)(=O)[O-])[C@@H](O)O[C@@H]2CO)O1	ZINC000095869698	559088690	/nfs/dbraw/zinc/08/86/90/559088690.db2.gz	BWLVBDNSYNAYLV-GYBHJADLSA-N	-3	3	417.345	-4.750	40	0		HAABHL
N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](OS(=O)(=O)[O-])[C@@H]1OS(=O)(=O)[O-]	ZINC000095921502	559088977	/nfs/dbraw/zinc/08/89/77/559088977.db2.gz	SWLBCCDTGFJBKD-QZABAPFNSA-N	-3	3	419.364	-3.774	40	0		HAABHL
N[C@@H]1[C@@H](OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@@H](COS(=O)(=O)[O-])O[C@@H]1O	ZINC000095921503	559088990	/nfs/dbraw/zinc/08/89/90/559088990.db2.gz	SWLBCCDTGFJBKD-UKFBFLRUSA-N	-3	3	419.364	-3.774	40	0		HAABHL
O=C([O-])[C@H](O)[C@@H]1O[C@H](n2cc(I)c(=O)[n-]c2=O)[C@H](O)[C@@H]1O	ZINC000105729584	559163061	/nfs/dbraw/zinc/16/30/61/559163061.db2.gz	VMFQINVNGDHGDI-IBEJWBKKSA-N	-2	3	414.108	-2.794	40	0		HAABHL
O=C(CCn1[n-]c(=O)ccc1=O)N1CCOC[C@]2(Cc3c([nH]c(=O)[n-]c3=O)O2)C1	ZINC000257245661	568789078	/nfs/dbraw/zinc/78/90/78/568789078.db2.gz	IQMWXWMGQYTYHG-KRWDZBQOSA-N	-2	3	405.367	-1.227	40	0		HAABHL
O=C(CCn1[n-]c(=O)ccc1=O)N1CCOC[C@@]2(Cc3c([nH]c(=O)[n-]c3=O)O2)C1	ZINC000257245662	568789144	/nfs/dbraw/zinc/78/91/44/568789144.db2.gz	IQMWXWMGQYTYHG-QGZVFWFLSA-N	-2	3	405.367	-1.227	40	0		HAABHL