smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1nc2c(ncn2[C@H]2CC[C@@H](CO[P@@](=O)([O-])O)O2)c(=O)[nH]1	ZINC000013516808	379450287	/nfs/dbraw/zinc/45/02/87/379450287.db2.gz	SDMRBYKCQICSIT-NTSWFWBYSA-N	-1	2	331.225	-0.511	10	0	in-vitro	EBAELM
Nc1nc2c(ncn2[C@H]2CC[C@@H](CO[P@](=O)([O-])O)O2)c(=O)[nH]1	ZINC000013516808	379450293	/nfs/dbraw/zinc/45/02/93/379450293.db2.gz	SDMRBYKCQICSIT-NTSWFWBYSA-N	-1	2	331.225	-0.511	10	0	in-vitro	EBAELM
Cc1cn([C@H]2C[C@@H](N=[N+]=[N-])[C@@H](CO[P@@](=O)([O-])O)O2)c(=O)[nH]c1=O	ZINC000012503815	379872541	/nfs/dbraw/zinc/87/25/41/379872541.db2.gz	OIFWQOKDSPDILA-BWZBUEFSSA-N	-1	2	347.224	-0.079	10	0		EBAELM
Cc1cn([C@H]2C[C@@H](N=[N+]=[N-])[C@@H](CO[P@](=O)([O-])O)O2)c(=O)[nH]c1=O	ZINC000012503815	379872549	/nfs/dbraw/zinc/87/25/49/379872549.db2.gz	OIFWQOKDSPDILA-BWZBUEFSSA-N	-1	2	347.224	-0.079	10	0		EBAELM
Nc1nc2c(ncn2[C@@H]2C=C[C@@H](CO[P@@](=O)([O-])O)C2)c(=O)[nH]1	ZINC000034058931	377154231	/nfs/dbraw/zinc/15/42/31/377154231.db2.gz	OJDRNVIJFVCXOM-RNFRBKRXSA-N	-1	2	327.237	-0.072	10	0		EBAELM
Nc1nc2c(ncn2[C@@H]2C=C[C@@H](CO[P@](=O)([O-])O)C2)c(=O)[nH]1	ZINC000034058931	377154241	/nfs/dbraw/zinc/15/42/41/377154241.db2.gz	OJDRNVIJFVCXOM-RNFRBKRXSA-N	-1	2	327.237	-0.072	10	0		EBAELM
CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1CCC[C@@]2(C1)NC(=O)NC2=O	ZINC000364402005	419778870	/nfs/dbraw/zinc/77/88/70/419778870.db2.gz	WTKYFMRKRKOZJI-WBMJQRKESA-N	-1	2	338.408	-0.312	10	0		EBAELM
Nc1nc2c(ncn2[C@@H]2C=C[C@H](CO[P@@](=O)([O-])O)C2)c(=O)[nH]1	ZINC000006585353	379774581	/nfs/dbraw/zinc/77/45/81/379774581.db2.gz	OJDRNVIJFVCXOM-NKWVEPMBSA-N	-1	2	327.237	-0.072	10	0		EBAELM
Nc1nc2c(ncn2[C@@H]2C=C[C@H](CO[P@](=O)([O-])O)C2)c(=O)[nH]1	ZINC000006585353	379774591	/nfs/dbraw/zinc/77/45/91/379774591.db2.gz	OJDRNVIJFVCXOM-NKWVEPMBSA-N	-1	2	327.237	-0.072	10	0		EBAELM
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)([O-])O)C[C@H]1O	ZINC000013540901	376021780	/nfs/dbraw/zinc/02/17/80/376021780.db2.gz	XKFCKNDXVMFENB-BAJZRUMYSA-N	-1	2	331.225	-0.834	10	0	in-vitro	EBAELM
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)([O-])O)C[C@H]1O	ZINC000013540901	376021784	/nfs/dbraw/zinc/02/17/84/376021784.db2.gz	XKFCKNDXVMFENB-BAJZRUMYSA-N	-1	2	331.225	-0.834	10	0	in-vitro	EBAELM
CCCC[N@@H+]1CCOC[C@H]1C(=O)N1CCC[C@@]2(C1)NC(=O)NC2=O	ZINC000364402003	419778357	/nfs/dbraw/zinc/77/83/57/419778357.db2.gz	WTKYFMRKRKOZJI-LRDDRELGSA-N	-1	2	338.408	-0.312	10	0		EBAELM
CNS(=O)(=O)c1ccc(C(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)cn1	ZINC000365638248	377459925	/nfs/dbraw/zinc/45/99/25/377459925.db2.gz	YQPJKYPURSLDJH-NWDGAFQWSA-N	-1	2	340.405	-0.855	10	0		EBAELM
NC(=O)C1=CN([C@@H]2O[C@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@H]2O)C=CC1	ZINC000013519290	560218315	/nfs/dbraw/zinc/21/83/15/560218315.db2.gz	XQHMUSRSLNRVGA-TURQNECASA-N	-1	2	336.237	-0.819	10	0	in-vitro,metabolite	EBAELM
NC(=O)C1=CN([C@@H]2O[C@H](CO[P@](=O)([O-])O)[C@@H](O)[C@H]2O)C=CC1	ZINC000013519290	560218316	/nfs/dbraw/zinc/21/83/16/560218316.db2.gz	XQHMUSRSLNRVGA-TURQNECASA-N	-1	2	336.237	-0.819	10	0	in-vitro,metabolite	EBAELM
Nc1nc2c(ncn2[C@H]2C=C[C@H](CO[P@@](=O)([O-])O)C2)c(=O)[nH]1	ZINC000034058932	377154978	/nfs/dbraw/zinc/15/49/78/377154978.db2.gz	OJDRNVIJFVCXOM-BQBZGAKWSA-N	-1	2	327.237	-0.072	10	0		EBAELM
Nc1nc2c(ncn2[C@H]2C=C[C@H](CO[P@](=O)([O-])O)C2)c(=O)[nH]1	ZINC000034058932	377154986	/nfs/dbraw/zinc/15/49/86/377154986.db2.gz	OJDRNVIJFVCXOM-BQBZGAKWSA-N	-1	2	327.237	-0.072	10	0		EBAELM