smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1ncn([C@@H]2O[C@@H](CO[P@](=O)([O-])O)[C@@H](O)[C@H]2O)c2ncnc1-2	ZINC000001560705	374237071	/nfs/dbraw/zinc/23/70/71/374237071.db2.gz	YXKYJBZIZFOEPY-HGOUYRHRSA-N	-1	2	347.224	-1.911	40	0		EAABLM
Nc1ncn([C@@H]2O[C@@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@H]2O)c2ncnc1-2	ZINC000001560705	374237065	/nfs/dbraw/zinc/23/70/65/374237065.db2.gz	YXKYJBZIZFOEPY-HGOUYRHRSA-N	-1	2	347.224	-1.911	40	0		EAABLM
NC(=O)c1csc([C@H]2O[C@@H](CO[P@](=O)([O-])O)[C@@H](O)[C@H]2O)n1	ZINC000001579707	374236965	/nfs/dbraw/zinc/23/69/65/374236965.db2.gz	XDDGVTBJYGSVPM-WNJXEPBRSA-N	-1	2	340.250	-1.487	40	0		EAABLM
NC(=O)c1csc([C@H]2O[C@@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@H]2O)n1	ZINC000001579707	374236957	/nfs/dbraw/zinc/23/69/57/374236957.db2.gz	XDDGVTBJYGSVPM-WNJXEPBRSA-N	-1	2	340.250	-1.487	40	0		EAABLM
NC(=O)c1ncn([C@H]2O[C@@H](CO[P@](=O)([O-])O)[C@@H](O)[C@H]2O)c1N	ZINC000003869390	210080451	/nfs/dbraw/zinc/08/04/51/210080451.db2.gz	NOTGFIUVDGNKRI-PXMDKTAGSA-N	-1	2	338.213	-2.707	40	0	in-vitro,metabolite	EAABLM
NC(=O)c1ncn([C@H]2O[C@@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@H]2O)c1N	ZINC000003869390	210080448	/nfs/dbraw/zinc/08/04/48/210080448.db2.gz	NOTGFIUVDGNKRI-PXMDKTAGSA-N	-1	2	338.213	-2.707	40	0	in-vitro,metabolite	EAABLM
NC(=O)c1ncn([C@@H]2O[C@@H](CO[P@](=O)([O-])O)[C@@H](O)[C@H]2O)c1N	ZINC000003869391	210080598	/nfs/dbraw/zinc/08/05/98/210080598.db2.gz	NOTGFIUVDGNKRI-HAVMAKPUSA-N	-1	2	338.213	-2.707	40	0	in-vitro,metabolite	EAABLM
NC(=O)c1ncn([C@@H]2O[C@@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@H]2O)c1N	ZINC000003869391	210080595	/nfs/dbraw/zinc/08/05/95/210080595.db2.gz	NOTGFIUVDGNKRI-HAVMAKPUSA-N	-1	2	338.213	-2.707	40	0	in-vitro,metabolite	EAABLM
NC(=O)c1ncn([C@H]2O[C@@H](CO[P@](=O)([O-])O)[C@@H](O)[C@@H]2O)c1N	ZINC000003869392	374238954	/nfs/dbraw/zinc/23/89/54/374238954.db2.gz	NOTGFIUVDGNKRI-HFXAWCPLSA-N	-1	2	338.213	-2.707	40	0	in-vitro,metabolite	EAABLM
NC(=O)c1ncn([C@H]2O[C@@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@@H]2O)c1N	ZINC000003869392	374238953	/nfs/dbraw/zinc/23/89/53/374238953.db2.gz	NOTGFIUVDGNKRI-HFXAWCPLSA-N	-1	2	338.213	-2.707	40	0	in-vitro,metabolite	EAABLM
NC(=O)c1ncn([C@@H]2O[C@@H](CO[P@](=O)([O-])O)[C@@H](O)[C@@H]2O)c1N	ZINC000003869393	210080985	/nfs/dbraw/zinc/08/09/85/210080985.db2.gz	NOTGFIUVDGNKRI-FULWYAMNSA-N	-1	2	338.213	-2.707	40	0	in-vitro,metabolite	EAABLM
NC(=O)c1ncn([C@@H]2O[C@@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@@H]2O)c1N	ZINC000003869393	210080982	/nfs/dbraw/zinc/08/09/82/210080982.db2.gz	NOTGFIUVDGNKRI-FULWYAMNSA-N	-1	2	338.213	-2.707	40	0	in-vitro,metabolite	EAABLM
O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO[P@](=O)([O-])O)O2)cc1F	ZINC000003875881	210082162	/nfs/dbraw/zinc/08/21/62/210082162.db2.gz	HFEKDTCAMMOLQP-RRKCRQDMSA-N	-1	2	326.173	-1.567	40	0	world	EAABLM
O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO[P@@](=O)([O-])O)O2)cc1F	ZINC000003875881	210082160	/nfs/dbraw/zinc/08/21/60/210082160.db2.gz	HFEKDTCAMMOLQP-RRKCRQDMSA-N	-1	2	326.173	-1.567	40	0	world	EAABLM
O=C([O-])c1ccc[n+]([C@@H]2O[C@H](CO[P@](=O)([O-])O)[C@@H](O)[C@H]2O)c1	ZINC000004095572	210119758	/nfs/dbraw/zinc/11/97/58/210119758.db2.gz	JOUIQRNQJGXQDC-ZYUZMQFOSA-O	-1	2	336.213	-1.599	40	0	in-man,metabolite	EAABLM
O=C([O-])c1ccc[n+]([C@@H]2O[C@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@H]2O)c1	ZINC000004095572	210119755	/nfs/dbraw/zinc/11/97/55/210119755.db2.gz	JOUIQRNQJGXQDC-ZYUZMQFOSA-O	-1	2	336.213	-1.599	40	0	in-man,metabolite	EAABLM
O=c1[nH]cnc2c1ncn2[C@@H]1O[C@@H](CO[P@](=O)([O-])O)[C@@H](O)[C@@H]1O	ZINC000004353761	374241236	/nfs/dbraw/zinc/24/12/36/374241236.db2.gz	GRSZFWQUAKGDAV-PERBPWGJSA-N	-1	2	348.208	-2.152	40	0		EAABLM
O=c1[nH]cnc2c1ncn2[C@@H]1O[C@@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@@H]1O	ZINC000004353761	374241226	/nfs/dbraw/zinc/24/12/26/374241226.db2.gz	GRSZFWQUAKGDAV-PERBPWGJSA-N	-1	2	348.208	-2.152	40	0		EAABLM
Nc1ncn([C@H]2O[C@@H](CO[P@](=O)([O-])O)[C@@H](O)[C@H]2O)c2ncnc1-2	ZINC000005250137	374242924	/nfs/dbraw/zinc/24/29/24/374242924.db2.gz	YXKYJBZIZFOEPY-WDHZHIADSA-N	-1	2	347.224	-1.911	40	0		EAABLM
Nc1ncn([C@H]2O[C@@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@H]2O)c2ncnc1-2	ZINC000005250137	374242911	/nfs/dbraw/zinc/24/29/11/374242911.db2.gz	YXKYJBZIZFOEPY-WDHZHIADSA-N	-1	2	347.224	-1.911	40	0		EAABLM
Nc1ncn([C@H]2O[C@@H](CO[P@](=O)([O-])O)[C@@H](O)[C@@H]2O)c2ncnc1-2	ZINC000005250138	374243293	/nfs/dbraw/zinc/24/32/93/374243293.db2.gz	YXKYJBZIZFOEPY-HUEBKHCJSA-N	-1	2	347.224	-1.911	40	0		EAABLM
Nc1ncn([C@H]2O[C@@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@@H]2O)c2ncnc1-2	ZINC000005250138	374243289	/nfs/dbraw/zinc/24/32/89/374243289.db2.gz	YXKYJBZIZFOEPY-HUEBKHCJSA-N	-1	2	347.224	-1.911	40	0		EAABLM
Nc1ncn([C@@H]2O[C@@H](CO[P@](=O)([O-])O)[C@@H](O)[C@@H]2O)c2ncnc1-2	ZINC000005250139	374243464	/nfs/dbraw/zinc/24/34/64/374243464.db2.gz	YXKYJBZIZFOEPY-PERBPWGJSA-N	-1	2	347.224	-1.911	40	0		EAABLM
Nc1ncn([C@@H]2O[C@@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@@H]2O)c2ncnc1-2	ZINC000005250139	374243458	/nfs/dbraw/zinc/24/34/58/374243458.db2.gz	YXKYJBZIZFOEPY-PERBPWGJSA-N	-1	2	347.224	-1.911	40	0		EAABLM
NC(=O)c1csc([C@@H]2O[C@@H](CO[P@](=O)([O-])O)[C@@H](O)[C@H]2O)n1	ZINC000005461003	374242735	/nfs/dbraw/zinc/24/27/35/374242735.db2.gz	XDDGVTBJYGSVPM-BDVNFPICSA-N	-1	2	340.250	-1.487	40	0		EAABLM
NC(=O)c1csc([C@@H]2O[C@@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@H]2O)n1	ZINC000005461003	374242727	/nfs/dbraw/zinc/24/27/27/374242727.db2.gz	XDDGVTBJYGSVPM-BDVNFPICSA-N	-1	2	340.250	-1.487	40	0		EAABLM
NC(=O)c1csc([C@H]2O[C@@H](CO[P@](=O)([O-])O)[C@@H](O)[C@@H]2O)n1	ZINC000005461009	374242542	/nfs/dbraw/zinc/24/25/42/374242542.db2.gz	XDDGVTBJYGSVPM-VZFHVOOUSA-N	-1	2	340.250	-1.487	40	0		EAABLM
NC(=O)c1csc([C@H]2O[C@@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@@H]2O)n1	ZINC000005461009	374242534	/nfs/dbraw/zinc/24/25/34/374242534.db2.gz	XDDGVTBJYGSVPM-VZFHVOOUSA-N	-1	2	340.250	-1.487	40	0		EAABLM
NC(=O)c1csc([C@@H]2O[C@@H](CO[P@](=O)([O-])O)[C@@H](O)[C@@H]2O)n1	ZINC000005461011	374243859	/nfs/dbraw/zinc/24/38/59/374243859.db2.gz	XDDGVTBJYGSVPM-BNHYGAARSA-N	-1	2	340.250	-1.487	40	0		EAABLM
NC(=O)c1csc([C@@H]2O[C@@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@@H]2O)n1	ZINC000005461011	374243854	/nfs/dbraw/zinc/24/38/54/374243854.db2.gz	XDDGVTBJYGSVPM-BNHYGAARSA-N	-1	2	340.250	-1.487	40	0		EAABLM
O=c1[nH]cnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)([O-])O)[C@H](O)[C@H]1O	ZINC000008613164	375184153	/nfs/dbraw/zinc/18/41/53/375184153.db2.gz	GRSZFWQUAKGDAV-GAWUUDPSSA-N	-1	2	348.208	-1.740	40	0		EAABLM
O=c1[nH]cnc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)([O-])O)[C@H](O)[C@H]1O	ZINC000008613164	375184144	/nfs/dbraw/zinc/18/41/44/375184144.db2.gz	GRSZFWQUAKGDAV-GAWUUDPSSA-N	-1	2	348.208	-1.740	40	0		EAABLM
O=c1[nH]cnc2c1ncn2[C@@H]1O[C@@H](CO[P@](=O)([O-])O)[C@@H](O)[C@H]1O	ZINC000008614392	374420011	/nfs/dbraw/zinc/42/00/11/374420011.db2.gz	GRSZFWQUAKGDAV-HGOUYRHRSA-N	-1	2	348.208	-2.152	40	0		EAABLM
O=c1[nH]cnc2c1ncn2[C@@H]1O[C@@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@H]1O	ZINC000008614392	374420005	/nfs/dbraw/zinc/42/00/05/374420005.db2.gz	GRSZFWQUAKGDAV-HGOUYRHRSA-N	-1	2	348.208	-2.152	40	0		EAABLM
Nc1ccn([C@@H]2O[C@H](CO[P@](=O)([O-])O)[C@@H](O)C2(F)F)c(=O)n1	ZINC000013516753	374256279	/nfs/dbraw/zinc/25/62/79/374256279.db2.gz	KNTREFQOVSMROS-QPPQHZFASA-N	-1	2	343.179	-1.172	40	0	in-vitro	EAABLM
Nc1ccn([C@@H]2O[C@H](CO[P@@](=O)([O-])O)[C@@H](O)C2(F)F)c(=O)n1	ZINC000013516753	374256272	/nfs/dbraw/zinc/25/62/72/374256272.db2.gz	KNTREFQOVSMROS-QPPQHZFASA-N	-1	2	343.179	-1.172	40	0	in-vitro	EAABLM
O=c1[nH]cnc2c1ncn2[C@@H]1O[C@@H](CO[P@](=O)([O-])O)[C@H](O)[C@H]1O	ZINC000014951284	374541731	/nfs/dbraw/zinc/54/17/31/374541731.db2.gz	GRSZFWQUAKGDAV-FCIPNVEPSA-N	-1	2	348.208	-2.152	40	0	in-vivo	EAABLM
O=c1[nH]cnc2c1ncn2[C@@H]1O[C@@H](CO[P@@](=O)([O-])O)[C@H](O)[C@H]1O	ZINC000014951284	374541722	/nfs/dbraw/zinc/54/17/22/374541722.db2.gz	GRSZFWQUAKGDAV-FCIPNVEPSA-N	-1	2	348.208	-2.152	40	0	in-vivo	EAABLM