smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1cnn([C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)c(=O)[nH]1	ZINC000012503861	211394272	/nfs/dbraw/zinc/39/42/72/211394272.db2.gz	LRVZOSYMNMNQFR-SHUUEZRQSA-N	-2	2	325.170	-3.340	10	0	in-vivo	EAAELL
O=c1cnn([C@@H]2O[C@H](COP(=O)([O-])[O-])[C@H](O)[C@H]2O)c(=O)[nH]1	ZINC000012503862	374628396	/nfs/dbraw/zinc/62/83/96/374628396.db2.gz	LRVZOSYMNMNQFR-VYNVVFCLSA-N	-2	2	325.170	-3.340	10	0		EAAELL
O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](COP(=O)([O-])[O-])O2)cc1S	ZINC000013518182	685180183	/nfs/dbraw/zinc/18/01/83/685180183.db2.gz	QMONXJFWUJBENE-HBPOCXIASA-N	-2	2	340.250	-1.417	10	0		EAAELL
O=P([O-])(OC[C@H](O)CO)OC[C@@H](O)CO[P@](=O)([O-])O	ZINC000013551705	560219799	/nfs/dbraw/zinc/21/97/99/560219799.db2.gz	QOLQOWHPTBTMKS-RITPCOANSA-N	-2	2	326.131	-2.057	10	0	in-vitro	EAAELL
O=P([O-])(OC[C@H](O)CO)OC[C@@H](O)CO[P@@](=O)([O-])O	ZINC000013551705	560219798	/nfs/dbraw/zinc/21/97/98/560219798.db2.gz	QOLQOWHPTBTMKS-RITPCOANSA-N	-2	2	326.131	-2.057	10	0	in-vitro	EAAELL
O=P([O-])(O)OC[C@H](O)CO[P@@](=O)([O-])OC[C@H](O)CO	ZINC000013551705	560219796	/nfs/dbraw/zinc/21/97/96/560219796.db2.gz	QOLQOWHPTBTMKS-RITPCOANSA-N	-2	2	326.131	-2.057	10	0	in-vitro	EAAELL
O=P([O-])(O)OC[C@H](O)CO[P@](=O)([O-])OC[C@H](O)CO	ZINC000013551705	560219794	/nfs/dbraw/zinc/21/97/94/560219794.db2.gz	QOLQOWHPTBTMKS-RITPCOANSA-N	-2	2	326.131	-2.057	10	0	in-vitro	EAAELL
O=P([O-])(OC[C@@H](O)CO)OC[C@@H](O)CO[P@](=O)([O-])O	ZINC000013551707	560219823	/nfs/dbraw/zinc/21/98/23/560219823.db2.gz	QOLQOWHPTBTMKS-WDSKDSINSA-N	-2	2	326.131	-2.057	10	0	in-vitro	EAAELL
O=P([O-])(OC[C@@H](O)CO)OC[C@@H](O)CO[P@@](=O)([O-])O	ZINC000013551707	560219822	/nfs/dbraw/zinc/21/98/22/560219822.db2.gz	QOLQOWHPTBTMKS-WDSKDSINSA-N	-2	2	326.131	-2.057	10	0	in-vitro	EAAELL
O=P([O-])(O)OC[C@H](O)CO[P@@](=O)([O-])OC[C@@H](O)CO	ZINC000013551707	560219821	/nfs/dbraw/zinc/21/98/21/560219821.db2.gz	QOLQOWHPTBTMKS-WDSKDSINSA-N	-2	2	326.131	-2.057	10	0	in-vitro	EAAELL
O=P([O-])(O)OC[C@H](O)CO[P@](=O)([O-])OC[C@@H](O)CO	ZINC000013551707	560219819	/nfs/dbraw/zinc/21/98/19/560219819.db2.gz	QOLQOWHPTBTMKS-WDSKDSINSA-N	-2	2	326.131	-2.057	10	0	in-vitro	EAAELL
O=C([O-])[C@@H](CO)O[C@H]1O[C@H](CO[P@](=O)([O-])O)[C@@H](O)[C@H](O)[C@@H]1O	ZINC000030731410	571743191	/nfs/dbraw/zinc/74/31/91/571743191.db2.gz	BOLXAGHGKNGVBE-MTXRGOKVSA-N	-2	2	348.197	-3.635	10	0	endogenous,in-man	EAAELL
O=C([O-])[C@@H](CO)O[C@H]1O[C@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@H](O)[C@@H]1O	ZINC000030731410	571743189	/nfs/dbraw/zinc/74/31/89/571743189.db2.gz	BOLXAGHGKNGVBE-MTXRGOKVSA-N	-2	2	348.197	-3.635	10	0	endogenous,in-man	EAAELL
O=c1[nH]c(=O)n([C@@H]2O[C@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@@H]2O)cc1F	ZINC000033902385	374382383	/nfs/dbraw/zinc/38/23/83/374382383.db2.gz	RNBMPPYRHNWTMA-MNCSTQPFSA-N	-3	2	342.172	-2.596	10	0		EAAELL
O=C([O-])CC[C@@H](C(=O)[O-])N(CP(=O)([O-])O)C[P@@](=O)([O-])O	ZINC000034744951	374381931	/nfs/dbraw/zinc/38/19/31/374381931.db2.gz	QKYOCTCEIBOKGV-YFKPBYRVSA-N	-4	2	335.142	-1.123	10	0		EAAELL
O=C([O-])CC[C@@H](C(=O)[O-])N(CP(=O)([O-])O)C[P@](=O)([O-])O	ZINC000034744951	374381909	/nfs/dbraw/zinc/38/19/09/374381909.db2.gz	QKYOCTCEIBOKGV-YFKPBYRVSA-N	-6	2	335.142	-1.123	10	0		EAAELL
[NH3+][C@H](CCC(=O)[O-])C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC(=O)[O-]	ZINC000039806640	686421333	/nfs/dbraw/zinc/42/13/33/686421333.db2.gz	XIKYNVKEUINBGL-BDAKNGLRSA-N	-2	2	341.324	-2.170	10	0		EAAELL
[NH3+][C@H](CCC(=O)[O-])C(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC(=O)[O-]	ZINC000039806642	686421361	/nfs/dbraw/zinc/42/13/61/686421361.db2.gz	XIKYNVKEUINBGL-RKDXNWHRSA-N	-2	2	341.324	-2.170	10	0		EAAELL
[NH3+][C@@H](CCC(=O)[O-])C(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC(=O)[O-]	ZINC000039806649	686421350	/nfs/dbraw/zinc/42/13/50/686421350.db2.gz	XIKYNVKEUINBGL-DTWKUNHWSA-N	-2	2	341.324	-2.170	10	0		EAAELL
O=c1cnn([C@@H]2O[C@H](COP(=O)([O-])[O-])[C@H](O)[C@@H]2O)c(=O)[nH]1	ZINC000105055763	685104721	/nfs/dbraw/zinc/10/47/21/685104721.db2.gz	LRVZOSYMNMNQFR-RAZZTCBWSA-N	-2	2	325.170	-3.340	10	0		EAAELL
O=c1ncnc2n([C@H]3O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]3O)[nH]cc1-2	ZINC000138471540	685205794	/nfs/dbraw/zinc/20/57/94/685205794.db2.gz	HTHXSXRMCTWBOC-IBNKKVAHSA-N	-2	2	348.208	-2.200	10	0		EAAELL
O=c1ncnc2n([C@@H]3O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]3O)[nH]cc1-2	ZINC000138471663	685206892	/nfs/dbraw/zinc/20/68/92/685206892.db2.gz	HTHXSXRMCTWBOC-DAGMQNCNSA-N	-2	2	348.208	-2.200	10	0		EAAELL
CN(CC[NH+](CC(=O)[O-])CC(=O)[O-])CC[NH+](CC(=O)[O-])CC(=O)[O-]	ZINC000139842477	685172458	/nfs/dbraw/zinc/17/24/58/685172458.db2.gz	ZFLLKPWERHBOPK-UHFFFAOYSA-N	-2	2	349.340	-2.139	10	0		EAAELL
O=P([O-])(O)C[C@H]1[C@H](O)[C@H](O)[C@H](C[P@](=O)([O-])O)[C@H](O)[C@H]1O	ZINC000514286915	685175633	/nfs/dbraw/zinc/17/56/33/685175633.db2.gz	SCDZBVCBCDLYHO-IHKZFYOVSA-N	-2	2	336.170	-2.969	10	0		EAAELL
O=P([O-])(O)C[C@H]1[C@H](O)[C@H](O)[C@H](C[P@@](=O)([O-])O)[C@H](O)[C@H]1O	ZINC000514286915	685175627	/nfs/dbraw/zinc/17/56/27/685175627.db2.gz	SCDZBVCBCDLYHO-IHKZFYOVSA-N	-2	2	336.170	-2.969	10	0		EAAELL
O=P([O-])(O)C[C@H]1[C@@H](O)[C@@H](O)[C@H](C[P@](=O)([O-])O)[C@H](O)[C@H]1O	ZINC000514286915	685175626	/nfs/dbraw/zinc/17/56/26/685175626.db2.gz	SCDZBVCBCDLYHO-IHKZFYOVSA-N	-2	2	336.170	-2.969	10	0		EAAELL
O=P([O-])(O)C[C@H]1[C@@H](O)[C@@H](O)[C@H](C[P@@](=O)([O-])O)[C@H](O)[C@H]1O	ZINC000514286915	685175615	/nfs/dbraw/zinc/17/56/15/685175615.db2.gz	SCDZBVCBCDLYHO-IHKZFYOVSA-N	-2	2	336.170	-2.969	10	0		EAAELL