smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1c(=O)[nH]c(=O)[nH]c1NC[C@H](O)[C@@H](O)[C@H](O)CO[P@](=O)([O-])O	ZINC000003869497	574412098	/nfs/dbraw/zinc/41/20/98/574412098.db2.gz	RQRINYISXYAZKL-MRKVFDINSA-N	-1	2	356.228	-3.751	1	0	endogenous,in-man	FAAFLM
Nc1c(=O)[nH]c(=O)[nH]c1NC[C@H](O)[C@@H](O)[C@H](O)CO[P@@](=O)([O-])O	ZINC000003869497	574412097	/nfs/dbraw/zinc/41/20/97/574412097.db2.gz	RQRINYISXYAZKL-MRKVFDINSA-N	-1	2	356.228	-3.751	1	0	endogenous,in-man	FAAFLM
NC(=O)c1ncn([C@H]2O[C@@H](CO[P@](=O)([O-])O)[C@@H](O)[C@H]2O)c1NC=O	ZINC000003870158	560190762	/nfs/dbraw/zinc/19/07/62/560190762.db2.gz	ABCOOORLYAOBOZ-WDHZHIADSA-N	-1	2	366.223	-2.721	1	0	in-vitro	FAAFLM
NC(=O)c1ncn([C@H]2O[C@@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@H]2O)c1NC=O	ZINC000003870158	560190761	/nfs/dbraw/zinc/19/07/61/560190761.db2.gz	ABCOOORLYAOBOZ-WDHZHIADSA-N	-1	2	366.223	-2.721	1	0	in-vitro	FAAFLM
NC(=O)c1ncn([C@@H]2O[C@@H](CO[P@](=O)([O-])O)[C@@H](O)[C@H]2O)c1NC=O	ZINC000003870159	560190730	/nfs/dbraw/zinc/19/07/30/560190730.db2.gz	ABCOOORLYAOBOZ-HGOUYRHRSA-N	-1	2	366.223	-2.721	1	0	in-vitro	FAAFLM
NC(=O)c1ncn([C@@H]2O[C@@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@H]2O)c1NC=O	ZINC000003870159	560190729	/nfs/dbraw/zinc/19/07/29/560190729.db2.gz	ABCOOORLYAOBOZ-HGOUYRHRSA-N	-1	2	366.223	-2.721	1	0	in-vitro	FAAFLM
NC(=O)c1ncn([C@H]2O[C@@H](CO[P@](=O)([O-])O)[C@@H](O)[C@@H]2O)c1NC=O	ZINC000003870160	560190773	/nfs/dbraw/zinc/19/07/73/560190773.db2.gz	ABCOOORLYAOBOZ-HUEBKHCJSA-N	-1	2	366.223	-2.721	1	0	in-vitro	FAAFLM
NC(=O)c1ncn([C@H]2O[C@@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@@H]2O)c1NC=O	ZINC000003870160	560190772	/nfs/dbraw/zinc/19/07/72/560190772.db2.gz	ABCOOORLYAOBOZ-HUEBKHCJSA-N	-1	2	366.223	-2.721	1	0	in-vitro	FAAFLM
NC(=O)c1ncn([C@@H]2O[C@@H](CO[P@](=O)([O-])O)[C@@H](O)[C@@H]2O)c1NC=O	ZINC000003870161	560190751	/nfs/dbraw/zinc/19/07/51/560190751.db2.gz	ABCOOORLYAOBOZ-PERBPWGJSA-N	-1	2	366.223	-2.721	1	0	in-vitro	FAAFLM
NC(=O)c1ncn([C@@H]2O[C@@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@@H]2O)c1NC=O	ZINC000003870161	560190750	/nfs/dbraw/zinc/19/07/50/560190750.db2.gz	ABCOOORLYAOBOZ-PERBPWGJSA-N	-1	2	366.223	-2.721	1	0	in-vitro	FAAFLM
Nc1c(=O)[nH]c(=O)[nH]c1NC[C@@H](O)[C@@H](O)[C@@H](O)CO[P@](=O)([O-])O	ZINC000008551686	560209377	/nfs/dbraw/zinc/20/93/77/560209377.db2.gz	RQRINYISXYAZKL-ALEPSDHESA-N	-1	2	356.228	-3.751	1	0	endogenous,in-vitro	FAAFLM
Nc1c(=O)[nH]c(=O)[nH]c1NC[C@@H](O)[C@@H](O)[C@@H](O)CO[P@@](=O)([O-])O	ZINC000008551686	560209376	/nfs/dbraw/zinc/20/93/76/560209376.db2.gz	RQRINYISXYAZKL-ALEPSDHESA-N	-1	2	356.228	-3.751	1	0	endogenous,in-vitro	FAAFLM
Nc1c(=O)[nH]c(=O)[nH]c1NC[C@H](O)[C@@H](O)[C@@H](O)CO[P@](=O)([O-])O	ZINC000008551687	560209360	/nfs/dbraw/zinc/20/93/60/560209360.db2.gz	RQRINYISXYAZKL-RVJQKOHUSA-N	-1	2	356.228	-3.751	1	0	endogenous,in-vitro	FAAFLM
Nc1c(=O)[nH]c(=O)[nH]c1NC[C@H](O)[C@@H](O)[C@@H](O)CO[P@@](=O)([O-])O	ZINC000008551687	560209358	/nfs/dbraw/zinc/20/93/58/560209358.db2.gz	RQRINYISXYAZKL-RVJQKOHUSA-N	-1	2	356.228	-3.751	1	0	endogenous,in-vitro	FAAFLM
Nc1c(=O)[nH]c(=O)[nH]c1NC[C@@H](O)[C@H](O)[C@@H](O)CO[P@](=O)([O-])O	ZINC000008551688	560209384	/nfs/dbraw/zinc/20/93/84/560209384.db2.gz	RQRINYISXYAZKL-IWGUZYHVSA-N	-1	2	356.228	-3.751	1	0	endogenous,in-vitro	FAAFLM
Nc1c(=O)[nH]c(=O)[nH]c1NC[C@@H](O)[C@H](O)[C@@H](O)CO[P@@](=O)([O-])O	ZINC000008551688	560209382	/nfs/dbraw/zinc/20/93/82/560209382.db2.gz	RQRINYISXYAZKL-IWGUZYHVSA-N	-1	2	356.228	-3.751	1	0	endogenous,in-vitro	FAAFLM
Nc1c(=O)[nH]c(=O)[nH]c1NC[C@H](O)[C@H](O)[C@@H](O)CO[P@](=O)([O-])O	ZINC000008551689	560209336	/nfs/dbraw/zinc/20/93/36/560209336.db2.gz	RQRINYISXYAZKL-FKZODXBYSA-N	-1	2	356.228	-3.751	1	0	endogenous,in-vitro	FAAFLM
Nc1c(=O)[nH]c(=O)[nH]c1NC[C@H](O)[C@H](O)[C@@H](O)CO[P@@](=O)([O-])O	ZINC000008551689	560209334	/nfs/dbraw/zinc/20/93/34/560209334.db2.gz	RQRINYISXYAZKL-FKZODXBYSA-N	-1	2	356.228	-3.751	1	0	endogenous,in-vitro	FAAFLM
Nc1nc2c(ncn2[C@H]2O[C@H](CO[P@](=O)([O-])O)[C@@H](O)[C@@H]2O)c(=O)[nH]1	ZINC000012501415	263371156	/nfs/dbraw/zinc/37/11/56/263371156.db2.gz	RQFCJASXJCIDSX-ICKFSKTQSA-N	-1	2	363.223	-2.570	1	0		FAAFLM
Nc1nc2c(ncn2[C@H]2O[C@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@@H]2O)c(=O)[nH]1	ZINC000012501415	263371153	/nfs/dbraw/zinc/37/11/53/263371153.db2.gz	RQFCJASXJCIDSX-ICKFSKTQSA-N	-1	2	363.223	-2.570	1	0		FAAFLM
[NH3+][C@H](Cn1ccc(=O)n(Cc2ccc([P@](=O)([O-])O)cc2)c1=O)C(=O)[O-]	ZINC000013686099	211048070	/nfs/dbraw/zinc/04/80/70/211048070.db2.gz	LADIYNLZGUDYMF-LLVKDONJSA-N	-1	2	369.270	-1.727	1	0		FAAFLM
[NH3+][C@H](Cn1ccc(=O)n(Cc2ccc([P@@](=O)([O-])O)cc2)c1=O)C(=O)[O-]	ZINC000013686099	211048068	/nfs/dbraw/zinc/04/80/68/211048068.db2.gz	LADIYNLZGUDYMF-LLVKDONJSA-N	-1	2	369.270	-1.727	1	0		FAAFLM
Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO[P@](=O)([O-])O)[S@]1=O	ZINC000013797201	220094940	/nfs/dbraw/zinc/09/49/40/220094940.db2.gz	XOFMECDXZUZTRD-NXPIZGNHSA-N	-1	2	363.292	-1.102	1	0		FAAFLM
Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO[P@@](=O)([O-])O)[S@]1=O	ZINC000013797201	220094938	/nfs/dbraw/zinc/09/49/38/220094938.db2.gz	XOFMECDXZUZTRD-NXPIZGNHSA-N	-1	2	363.292	-1.102	1	0		FAAFLM
Nc1ncnc2c1ncn2[C@@H]1C[C@H](O)[C@@H](CO[P@](=O)([O-])O)[S@]1=O	ZINC000038963235	208208995	/nfs/dbraw/zinc/20/89/95/208208995.db2.gz	XOFMECDXZUZTRD-YEEWCQIXSA-N	-1	2	363.292	-1.102	1	0		FAAFLM
Nc1ncnc2c1ncn2[C@@H]1C[C@H](O)[C@@H](CO[P@@](=O)([O-])O)[S@]1=O	ZINC000038963235	208208989	/nfs/dbraw/zinc/20/89/89/208208989.db2.gz	XOFMECDXZUZTRD-YEEWCQIXSA-N	-1	2	363.292	-1.102	1	0		FAAFLM
Nc1c(F)c(=O)[nH]c(=O)n1[C@@H]1O[C@H](CO[P@](=O)([O-])O)[C@@H](O)[C@H]1O	ZINC000040406933	208251988	/nfs/dbraw/zinc/25/19/88/208251988.db2.gz	OLBMCLUPWOAIRA-UMMCILCDSA-N	-1	2	357.187	-3.014	1	0	in-vivo	FAAFLM
Nc1c(F)c(=O)[nH]c(=O)n1[C@@H]1O[C@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@H]1O	ZINC000040406933	208251982	/nfs/dbraw/zinc/25/19/82/208251982.db2.gz	OLBMCLUPWOAIRA-UMMCILCDSA-N	-1	2	357.187	-3.014	1	0	in-vivo	FAAFLM
CCc1cn([C@H]2O[C@H](CO[P@](=O)([O-])O)[C@@H](O)[C@@H]2O)c(=O)[nH]c1=O	ZINC000048998988	205167588	/nfs/dbraw/zinc/16/75/88/205167588.db2.gz	SIHFJGHFGIXZKJ-ODXREFDESA-N	-1	2	352.236	-2.173	1	0		FAAFLM
CCc1cn([C@H]2O[C@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@@H]2O)c(=O)[nH]c1=O	ZINC000048998988	205167584	/nfs/dbraw/zinc/16/75/84/205167584.db2.gz	SIHFJGHFGIXZKJ-ODXREFDESA-N	-1	2	352.236	-2.173	1	0		FAAFLM
Nc1nc2c(ncn2[C@H]2O[C@H](CO[P@](=O)([O-])O)[C@@H](O)[C@H]2O)c(N)n1	ZINC000049015497	205166856	/nfs/dbraw/zinc/16/68/56/205166856.db2.gz	KQJMOJABMFAPCE-BDXYJKHTSA-N	-1	2	362.239	-2.281	1	0		FAAFLM
Nc1nc2c(ncn2[C@H]2O[C@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@H]2O)c(N)n1	ZINC000049015497	205166852	/nfs/dbraw/zinc/16/68/52/205166852.db2.gz	KQJMOJABMFAPCE-BDXYJKHTSA-N	-1	2	362.239	-2.281	1	0		FAAFLM
CCc1cn([C@H]2O[C@H](CO[P@](=O)([O-])O)[C@@H](O)[C@H]2O)c(=O)nc1N	ZINC000049018083	205167346	/nfs/dbraw/zinc/16/73/46/205167346.db2.gz	SKGFOLAMDDXPCJ-DQUBFYRCSA-N	-1	2	351.252	-1.884	1	0		FAAFLM
CCc1cn([C@H]2O[C@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@H]2O)c(=O)nc1N	ZINC000049018083	205167343	/nfs/dbraw/zinc/16/73/43/205167343.db2.gz	SKGFOLAMDDXPCJ-DQUBFYRCSA-N	-1	2	351.252	-1.884	1	0		FAAFLM
CNc1ncnc2c1ncn2[C@H]1O[C@H](CO[P@](=O)([O-])O)[C@@H](O)[C@H]1O	ZINC000049089252	205168904	/nfs/dbraw/zinc/16/89/04/205168904.db2.gz	WETVNPRPZIYMAC-FCKMSMMTSA-N	-1	2	361.251	-1.404	1	0		FAAFLM
CNc1ncnc2c1ncn2[C@H]1O[C@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@H]1O	ZINC000049089252	205168900	/nfs/dbraw/zinc/16/89/00/205168900.db2.gz	WETVNPRPZIYMAC-FCKMSMMTSA-N	-1	2	361.251	-1.404	1	0		FAAFLM
C=Cc1nc2c(ncn2[C@@H]2O[C@@H](CO[P@](=O)([O-])O)[C@H](O)[C@@H]2O)c(=O)[nH]1	ZINC000049089277	221019816	/nfs/dbraw/zinc/01/98/16/221019816.db2.gz	GJSWNSHGOOIJLU-GKYFRMCYSA-N	-1	2	374.246	-1.509	1	0		FAAFLM
C=Cc1nc2c(ncn2[C@@H]2O[C@@H](CO[P@@](=O)([O-])O)[C@H](O)[C@@H]2O)c(=O)[nH]1	ZINC000049089277	221019814	/nfs/dbraw/zinc/01/98/14/221019814.db2.gz	GJSWNSHGOOIJLU-GKYFRMCYSA-N	-1	2	374.246	-1.509	1	0		FAAFLM
O=c1[nH]cnc2c1NCN2[C@@H]1O[C@H](CO[P@](=O)([O-])O)[C@@H](O)[C@H]1O	ZINC000062178454	212030105	/nfs/dbraw/zinc/03/01/05/212030105.db2.gz	JTAKDJLNMDBJEP-KQYNXXCUSA-N	-1	2	350.224	-2.485	1	0		FAAFLM
O=c1[nH]cnc2c1NCN2[C@@H]1O[C@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@H]1O	ZINC000062178454	212030101	/nfs/dbraw/zinc/03/01/01/212030101.db2.gz	JTAKDJLNMDBJEP-KQYNXXCUSA-N	-1	2	350.224	-2.485	1	0		FAAFLM
CC(=O)NCc1cn([C@@H]2O[C@H](CO[P@](=O)([O-])O)[C@@H](O)[C@H]2O)nn1	ZINC000066077721	221240000	/nfs/dbraw/zinc/24/00/00/221240000.db2.gz	WKSDLIPBAPRDGN-ZYUZMQFOSA-N	-1	2	352.240	-2.357	1	0		FAAFLM
CC(=O)NCc1cn([C@@H]2O[C@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@H]2O)nn1	ZINC000066077721	221239998	/nfs/dbraw/zinc/23/99/98/221239998.db2.gz	WKSDLIPBAPRDGN-ZYUZMQFOSA-N	-1	2	352.240	-2.357	1	0		FAAFLM
CC(=O)c1cn([C@H]2C[C@H](O)[C@@H](CO[P@](=O)([O-])O)O2)c(=O)[nH]c1=O	ZINC000169343045	206251531	/nfs/dbraw/zinc/25/15/31/206251531.db2.gz	URJLSMVJFJGFSZ-DJLDLDEBSA-N	-1	2	350.220	-1.503	1	0		FAAFLM
CC(=O)c1cn([C@H]2C[C@H](O)[C@@H](CO[P@@](=O)([O-])O)O2)c(=O)[nH]c1=O	ZINC000169343045	206251528	/nfs/dbraw/zinc/25/15/28/206251528.db2.gz	URJLSMVJFJGFSZ-DJLDLDEBSA-N	-1	2	350.220	-1.503	1	0		FAAFLM
Nc1ncnc2c1ncn2[C@@H]1C[C@@H](O)[C@@H](CO[P@](=O)([O-])O)[S@@]1=O	ZINC000169368074	206253550	/nfs/dbraw/zinc/25/35/50/206253550.db2.gz	XOFMECDXZUZTRD-NTUWWLDISA-N	-1	2	363.292	-1.102	1	0		FAAFLM
Nc1ncnc2c1ncn2[C@@H]1C[C@@H](O)[C@@H](CO[P@@](=O)([O-])O)[S@@]1=O	ZINC000169368074	206253546	/nfs/dbraw/zinc/25/35/46/206253546.db2.gz	XOFMECDXZUZTRD-NTUWWLDISA-N	-1	2	363.292	-1.102	1	0		FAAFLM
Nc1nc2c(ncn2[C@H]2O[C@H](CO[P@](=O)([O-])O)[C@@H](O)[C@H]2O)c(=O)[nH]1	ZINC000019418783	220256366	/nfs/dbraw/zinc/25/63/66/220256366.db2.gz	RQFCJASXJCIDSX-BDXYJKHTSA-N	-1	2	363.223	-2.570	2	0		FAAFLM
Nc1nc2c(ncn2[C@H]2O[C@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@H]2O)c(=O)[nH]1	ZINC000019418783	220256363	/nfs/dbraw/zinc/25/63/63/220256363.db2.gz	RQFCJASXJCIDSX-BDXYJKHTSA-N	-1	2	363.223	-2.570	2	0		FAAFLM