smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])CNc1nc(NCC(=O)[O-])nc(N2CCCCC2)n1	ZINC000000053282	374731312	/nfs/dbraw/zinc/73/13/12/374731312.db2.gz	YCTUVITVEWYIAR-UHFFFAOYSA-N	-2	1	310.314	-0.145	50	0		DBAAML
Cc1[n-][nH]c(=O)c1CC(=O)N1CCc2c(c(C(=O)[O-])nn2C)C1	ZINC000426563459	257246400	/nfs/dbraw/zinc/24/64/00/257246400.db2.gz	OHAUTTZRYUAJTC-UHFFFAOYSA-N	-2	1	319.321	-0.017	50	0		DBAAML
O=C1[N-]C(=O)[C@@](O)(c2c([O-])c3ccccc3oc2=O)C(=O)N1	ZINC000008764859	382667446	/nfs/dbraw/zinc/66/74/46/382667446.db2.gz	DJEQCVNTEYKHSE-UHFFFAOYSA-N	-2	1	304.214	-0.108	50	0	biogenic	DBAAML
C[C@@](O)(CCO[P@](=O)([O-])OP(=O)([O-])[O-])CC(=O)[O-]	ZINC000008216889	374292605	/nfs/dbraw/zinc/29/26/05/374292605.db2.gz	SIGQQUBJQXSAMW-ZCFIWIBFSA-N	-3	1	308.116	-0.172	50	0	endogenous,in-man	DBAAML
C[C@@](O)(CCO[P@@](=O)([O-])OP(=O)([O-])O)CC(=O)[O-]	ZINC000008216889	374292615	/nfs/dbraw/zinc/29/26/15/374292615.db2.gz	SIGQQUBJQXSAMW-ZCFIWIBFSA-N	-3	1	308.116	-0.172	50	0	endogenous,in-man	DBAAML
C[C@@](O)(CCO[P@](=O)([O-])OP(=O)([O-])O)CC(=O)[O-]	ZINC000008216889	374292619	/nfs/dbraw/zinc/29/26/19/374292619.db2.gz	SIGQQUBJQXSAMW-ZCFIWIBFSA-N	-3	1	308.116	-0.172	50	0	endogenous,in-man	DBAAML
C[C@@](O)(CCOP(=O)([O-])O[P@@](=O)([O-])O)CC(=O)[O-]	ZINC000008216889	374292628	/nfs/dbraw/zinc/29/26/28/374292628.db2.gz	SIGQQUBJQXSAMW-ZCFIWIBFSA-N	-3	1	308.116	-0.172	50	0	endogenous,in-man	DBAAML
C[C@@](O)(CCOP(=O)([O-])O[P@](=O)([O-])O)CC(=O)[O-]	ZINC000008216889	374292635	/nfs/dbraw/zinc/29/26/35/374292635.db2.gz	SIGQQUBJQXSAMW-ZCFIWIBFSA-N	-3	1	308.116	-0.172	50	0	endogenous,in-man	DBAAML
C[C@](O)(CCO[P@](=O)([O-])OP(=O)([O-])[O-])CC(=O)[O-]	ZINC000012495398	374343784	/nfs/dbraw/zinc/34/37/84/374343784.db2.gz	SIGQQUBJQXSAMW-LURJTMIESA-N	-4	1	308.116	-0.172	50	0	endogenous,in-man	DBAAML
C[C@](O)(CCO[P@@](=O)([O-])OP(=O)([O-])O)CC(=O)[O-]	ZINC000012495398	374343788	/nfs/dbraw/zinc/34/37/88/374343788.db2.gz	SIGQQUBJQXSAMW-LURJTMIESA-N	-3	1	308.116	-0.172	50	0	endogenous,in-man	DBAAML
C[C@](O)(CCO[P@](=O)([O-])OP(=O)([O-])O)CC(=O)[O-]	ZINC000012495398	374343793	/nfs/dbraw/zinc/34/37/93/374343793.db2.gz	SIGQQUBJQXSAMW-LURJTMIESA-N	-3	1	308.116	-0.172	50	0	endogenous,in-man	DBAAML
C[C@](O)(CCOP(=O)([O-])O[P@@](=O)([O-])O)CC(=O)[O-]	ZINC000012495398	374343794	/nfs/dbraw/zinc/34/37/94/374343794.db2.gz	SIGQQUBJQXSAMW-LURJTMIESA-N	-3	1	308.116	-0.172	50	0	endogenous,in-man	DBAAML
C[C@](O)(CCOP(=O)([O-])O[P@](=O)([O-])O)CC(=O)[O-]	ZINC000012495398	374343797	/nfs/dbraw/zinc/34/37/97/374343797.db2.gz	SIGQQUBJQXSAMW-LURJTMIESA-N	-3	1	308.116	-0.172	50	0	endogenous,in-man	DBAAML
C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2C(=O)[O-])o1	ZINC000262704033	375073747	/nfs/dbraw/zinc/07/37/47/375073747.db2.gz	MABJUFYKEMNJGD-ZETCQYMHSA-N	-2	1	302.308	-0.123	50	0		DBAAML
Cc1ncc(CO)c([C@H]2N[C@H](C(=O)[O-])Cc3nc[nH]c32)c1O	ZINC000002130263	375310020	/nfs/dbraw/zinc/31/00/20/375310020.db2.gz	KLRREKPIQIQROK-JOYOIKCWSA-N	-2	1	304.306	-0.001	50	0		DBAAML
COc1cc2[n-]c([O-])c(C(=O)NCCO)c(=O)c2cc1OC	ZINC000016977136	182067297	/nfs/dbraw/zinc/06/72/97/182067297.db2.gz	FIPZVSKUXNGVOH-UHFFFAOYSA-N	-2	1	308.290	-0.027	50	0	biogenic	DBAAML
Cc1ncc(CO)c([C@@H]2N[C@H](C(=O)[O-])Cc3nc[nH]c32)c1O	ZINC000002130261	375309299	/nfs/dbraw/zinc/30/92/99/375309299.db2.gz	KLRREKPIQIQROK-CABZTGNLSA-N	-2	1	304.306	-0.001	50	0		DBAAML
C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2C(=O)[O-])o1	ZINC000269085146	392411807	/nfs/dbraw/zinc/41/18/07/392411807.db2.gz	MABJUFYKEMNJGD-SSDOTTSWSA-N	-2	1	302.308	-0.123	50	0		DBAAML