smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[P@]([O-])(O)OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO	ZINC000002516111	372761745	/nfs/dbraw/zinc/76/17/45/372761745.db2.gz	GACTWZZMVMUKNG-SLPGGIOYSA-N	-1	2	262.151	-3.468	50	0	in-man,metabolite	CAAALM
O=[P@@]([O-])(O)OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO	ZINC000002516111	372761748	/nfs/dbraw/zinc/76/17/48/372761748.db2.gz	GACTWZZMVMUKNG-SLPGGIOYSA-N	-1	2	262.151	-3.468	50	0	in-man,metabolite	CAAALM
O=[P@]([O-])(O)OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O	ZINC000004096690	372767505	/nfs/dbraw/zinc/76/75/05/372767505.db2.gz	BGWGXPAPYGQALX-ARQDHWQXSA-N	-1	2	260.135	-3.103	50	0	endogenous,in-man	CAAALM
O=[P@@]([O-])(O)OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O	ZINC000004096690	372767509	/nfs/dbraw/zinc/76/75/09/372767509.db2.gz	BGWGXPAPYGQALX-ARQDHWQXSA-N	-1	2	260.135	-3.103	50	0	endogenous,in-man	CAAALM
O=[P@]([O-])(O)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000003875374	372767795	/nfs/dbraw/zinc/76/77/95/372767795.db2.gz	NBSCHQHZLSJFNQ-VFUOTHLCSA-N	-1	2	260.135	-3.104	50	0	endogenous,in-man	CAAALM
O=[P@@]([O-])(O)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000003875374	372767800	/nfs/dbraw/zinc/76/78/00/372767800.db2.gz	NBSCHQHZLSJFNQ-VFUOTHLCSA-N	-1	2	260.135	-3.104	50	0	endogenous,in-man	CAAALM
O=C([O-])C[NH+](CC(=O)[O-])C[C@H](O)[C@H](O)[C@@H](O)[C@H](O)CO	ZINC000025625713	372803340	/nfs/dbraw/zinc/80/33/40/372803340.db2.gz	NNJYRENMDXLMEC-KXOWCNOMSA-N	-1	2	297.260	-4.107	50	0		CAAALM
O=C(CO)[C@H](O)[C@H](O)[C@@H](O)CO[P@@](=O)([O-])O	ZINC000100065511	372897631	/nfs/dbraw/zinc/89/76/31/372897631.db2.gz	GSXOAOHZAIYLCY-HCWXCVPCSA-N	-1	2	260.135	-3.260	50	0	in-vitro	CAAALM
O=C(CO)[C@H](O)[C@H](O)[C@@H](O)CO[P@](=O)([O-])O	ZINC000100065511	372897638	/nfs/dbraw/zinc/89/76/38/372897638.db2.gz	GSXOAOHZAIYLCY-HCWXCVPCSA-N	-1	2	260.135	-3.260	50	0	in-vitro	CAAALM
O=[P@]([O-])(O)OC[C@@H]1S[C@H](O)[C@H](O)[C@H](O)[C@H]1O	ZINC000255989523	373308177	/nfs/dbraw/zinc/30/81/77/373308177.db2.gz	NEOSARGPNYBRLE-YJRYQGEOSA-N	-1	2	276.203	-2.388	50	0		CAAALM
O=[P@@]([O-])(O)OC[C@@H]1S[C@H](O)[C@H](O)[C@H](O)[C@H]1O	ZINC000255989523	373308188	/nfs/dbraw/zinc/30/81/88/373308188.db2.gz	NEOSARGPNYBRLE-YJRYQGEOSA-N	-1	2	276.203	-2.388	50	0		CAAALM
O=C([O-])c1ccccc1NC1(O)C(=O)NC(=O)NC1=O	ZINC000004863232	170032003	/nfs/dbraw/zinc/03/20/03/170032003.db2.gz	SVXDJYOKGUOPEY-UHFFFAOYSA-N	-1	2	279.208	-1.149	50	0		CAAALM
O=C([O-])CNC(=O)CNC(=O)CCc1cc(=O)[nH]o1	ZINC000217784810	262344503	/nfs/dbraw/zinc/34/45/03/262344503.db2.gz	VXCRQHWRQCYSRV-UHFFFAOYSA-N	-1	2	271.229	-1.370	50	0	biogenic	CAAALM
O=[P@]([O-])(O)OC[C@H]1O[C@](O)(CO)[C@H](O)[C@@H]1O	ZINC000056874962	330368919	/nfs/dbraw/zinc/36/89/19/330368919.db2.gz	BGWGXPAPYGQALX-KVTDHHQDSA-N	-1	2	260.135	-3.103	50	0	in-vitro	CAAALM
O=[P@@]([O-])(O)OC[C@H]1O[C@](O)(CO)[C@H](O)[C@@H]1O	ZINC000056874962	330368920	/nfs/dbraw/zinc/36/89/20/330368920.db2.gz	BGWGXPAPYGQALX-KVTDHHQDSA-N	-1	2	260.135	-3.103	50	0	in-vitro	CAAALM
O=C([O-])C[NH+](CC(=O)[O-])C[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO	ZINC000004825391	304065971	/nfs/dbraw/zinc/06/59/71/304065971.db2.gz	NNJYRENMDXLMEC-FTEGDLIOSA-N	-1	2	297.260	-4.107	50	0		CAAALM
O=[P@]([O-])(O)OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000003875375	372768046	/nfs/dbraw/zinc/76/80/46/372768046.db2.gz	NBSCHQHZLSJFNQ-DVKNGEFBSA-N	-1	2	260.135	-3.104	50	0	endogenous,in-man	CAAALM
O=[P@@]([O-])(O)OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000003875375	372768053	/nfs/dbraw/zinc/76/80/53/372768053.db2.gz	NBSCHQHZLSJFNQ-DVKNGEFBSA-N	-1	2	260.135	-3.104	50	0	endogenous,in-man	CAAALM
O=C([O-])C[NH+](CCN1C(=O)C=CC1=O)CC(=O)[O-]	ZINC000039351117	372821332	/nfs/dbraw/zinc/82/13/32/372821332.db2.gz	YXZKLBWQSVZIDK-UHFFFAOYSA-N	-1	2	256.214	-1.617	50	0		CAAALM
O=C([O-])C[NH+](CC(=O)[O-])C[C@H](O)[C@H](O)[C@H](O)[C@@H](O)CO	ZINC000025625706	372802100	/nfs/dbraw/zinc/80/21/00/372802100.db2.gz	NNJYRENMDXLMEC-AJSHEINVSA-N	-1	2	297.260	-4.107	50	0		CAAALM
O=[P@]([O-])(O)OC[C@@H]1S[C@H](O)[C@H](O)[C@@H](O)[C@H]1O	ZINC000044608494	372832416	/nfs/dbraw/zinc/83/24/16/372832416.db2.gz	NEOSARGPNYBRLE-XKTQNOIPSA-N	-1	2	276.203	-2.388	50	0		CAAALM
O=[P@@]([O-])(O)OC[C@@H]1S[C@H](O)[C@H](O)[C@@H](O)[C@H]1O	ZINC000044608494	372832418	/nfs/dbraw/zinc/83/24/18/372832418.db2.gz	NEOSARGPNYBRLE-XKTQNOIPSA-N	-1	2	276.203	-2.388	50	0		CAAALM
O=C(CO)[C@@H](O)[C@H](O)[C@H](O)CO[P@@](=O)([O-])O	ZINC000085994845	372881490	/nfs/dbraw/zinc/88/14/90/372881490.db2.gz	GSXOAOHZAIYLCY-HSUXUTPPSA-N	-1	2	260.135	-3.260	50	0	endogenous,in-man	CAAALM
O=C(CO)[C@@H](O)[C@H](O)[C@H](O)CO[P@](=O)([O-])O	ZINC000085994845	372881497	/nfs/dbraw/zinc/88/14/97/372881497.db2.gz	GSXOAOHZAIYLCY-HSUXUTPPSA-N	-1	2	260.135	-3.260	50	0	endogenous,in-man	CAAALM
Nc1nccc[n+]1CC(P(=O)([O-])O)[P@@](=O)([O-])O	ZINC000001893819	373674371	/nfs/dbraw/zinc/67/43/71/373674371.db2.gz	AMZNJJFWEKASTC-UHFFFAOYSA-O	-1	2	284.125	-1.367	50	0		CAAALM
Nc1nccc[n+]1CC(P(=O)([O-])O)[P@](=O)([O-])O	ZINC000001893819	373674394	/nfs/dbraw/zinc/67/43/94/373674394.db2.gz	AMZNJJFWEKASTC-UHFFFAOYSA-O	-1	2	284.125	-1.367	50	0		CAAALM
O=[P@]([O-])(O)OC[C@H]1O[C@](O)(CO)[C@H](O)[C@H]1O	ZINC000138814335	373771849	/nfs/dbraw/zinc/77/18/49/373771849.db2.gz	BGWGXPAPYGQALX-JGWLITMVSA-N	-1	2	260.135	-3.103	50	0		CAAALM
O=[P@@]([O-])(O)OC[C@H]1O[C@](O)(CO)[C@H](O)[C@H]1O	ZINC000138814335	373771860	/nfs/dbraw/zinc/77/18/60/373771860.db2.gz	BGWGXPAPYGQALX-JGWLITMVSA-N	-1	2	260.135	-3.103	50	0		CAAALM
O=[P@]([O-])(O)OC[C@@H]1O[C@H](O)[C@@H](O)[C@H](O)[C@H]1O	ZINC000001532533	372754650	/nfs/dbraw/zinc/75/46/50/372754650.db2.gz	NBSCHQHZLSJFNQ-QYESYBIKSA-N	-1	2	260.135	-3.104	50	0	in-vivo	CAAALM
O=[P@@]([O-])(O)OC[C@@H]1O[C@H](O)[C@@H](O)[C@H](O)[C@H]1O	ZINC000001532533	372754655	/nfs/dbraw/zinc/75/46/55/372754655.db2.gz	NBSCHQHZLSJFNQ-QYESYBIKSA-N	-1	2	260.135	-3.104	50	0	in-vivo	CAAALM
O=[P@]([O-])(O)OC[C@@H]1O[C@@H](O)[C@@H](O)[C@H](O)[C@H]1O	ZINC000003581460	372765733	/nfs/dbraw/zinc/76/57/33/372765733.db2.gz	NBSCHQHZLSJFNQ-MDMQIMBFSA-N	-1	2	260.135	-3.104	50	0	in-vitro	CAAALM
O=[P@@]([O-])(O)OC[C@@H]1O[C@@H](O)[C@@H](O)[C@H](O)[C@H]1O	ZINC000003581460	372765743	/nfs/dbraw/zinc/76/57/43/372765743.db2.gz	NBSCHQHZLSJFNQ-MDMQIMBFSA-N	-1	2	260.135	-3.104	50	0	in-vitro	CAAALM
O=C([O-])C[NH+](CC(=O)[O-])C[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO	ZINC000025625721	372801947	/nfs/dbraw/zinc/80/19/47/372801947.db2.gz	NNJYRENMDXLMEC-XYMMMQBSSA-N	-1	2	297.260	-4.107	50	0		CAAALM
O=C(CO)[C@H](O)[C@H](O)[C@H](O)CO[P@@](=O)([O-])O	ZINC000100085043	372896987	/nfs/dbraw/zinc/89/69/87/372896987.db2.gz	GSXOAOHZAIYLCY-NGJCXOISSA-N	-1	2	260.135	-3.260	50	0	in-vitro	CAAALM
O=C(CO)[C@H](O)[C@H](O)[C@H](O)CO[P@](=O)([O-])O	ZINC000100085043	372896996	/nfs/dbraw/zinc/89/69/96/372896996.db2.gz	GSXOAOHZAIYLCY-NGJCXOISSA-N	-1	2	260.135	-3.260	50	0	in-vitro	CAAALM
O=C(CO)[C@H](O)[C@@H](O)[C@@H](O)CO[P@@](=O)([O-])O	ZINC000104869937	372902253	/nfs/dbraw/zinc/90/22/53/372902253.db2.gz	GSXOAOHZAIYLCY-ZLUOBGJFSA-N	-1	2	260.135	-3.260	50	0		CAAALM
O=C(CO)[C@H](O)[C@@H](O)[C@@H](O)CO[P@](=O)([O-])O	ZINC000104869937	372902261	/nfs/dbraw/zinc/90/22/61/372902261.db2.gz	GSXOAOHZAIYLCY-ZLUOBGJFSA-N	-1	2	260.135	-3.260	50	0		CAAALM
O=[P@]([O-])(O)OC[C@@H]1S[C@H](O)[C@H](O)[C@H](O)[C@@H]1O	ZINC000255989522	373309252	/nfs/dbraw/zinc/30/92/52/373309252.db2.gz	NEOSARGPNYBRLE-BSQWINAVSA-N	-1	2	276.203	-2.388	50	0		CAAALM
O=[P@@]([O-])(O)OC[C@@H]1S[C@H](O)[C@H](O)[C@H](O)[C@@H]1O	ZINC000255989522	373309258	/nfs/dbraw/zinc/30/92/58/373309258.db2.gz	NEOSARGPNYBRLE-BSQWINAVSA-N	-1	2	276.203	-2.388	50	0		CAAALM
O=C(CO)[C@H](O)[C@@H](O)[C@H](O)CO[P@@](=O)([O-])O	ZINC000013537943	372789917	/nfs/dbraw/zinc/78/99/17/372789917.db2.gz	GSXOAOHZAIYLCY-SRQIZXRXSA-N	-1	2	260.135	-3.260	50	0		CAAALM
O=C(CO)[C@H](O)[C@@H](O)[C@H](O)CO[P@](=O)([O-])O	ZINC000013537943	372789924	/nfs/dbraw/zinc/78/99/24/372789924.db2.gz	GSXOAOHZAIYLCY-SRQIZXRXSA-N	-1	2	260.135	-3.260	50	0		CAAALM
O=[P@]([O-])(O)OC[C@H]1O[C@@](O)(CO)[C@@H](O)[C@@H]1O	ZINC000003869919	372767551	/nfs/dbraw/zinc/76/75/51/372767551.db2.gz	BGWGXPAPYGQALX-ZXXMMSQZSA-N	-1	2	260.135	-3.103	50	0	in-vitro	CAAALM
O=[P@@]([O-])(O)OC[C@H]1O[C@@](O)(CO)[C@@H](O)[C@@H]1O	ZINC000003869919	372767555	/nfs/dbraw/zinc/76/75/55/372767555.db2.gz	BGWGXPAPYGQALX-ZXXMMSQZSA-N	-1	2	260.135	-3.103	50	0	in-vitro	CAAALM
O=[P@]([O-])(O)OC[C@H]1O[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1O	ZINC000003869397	372768151	/nfs/dbraw/zinc/76/81/51/372768151.db2.gz	NBSCHQHZLSJFNQ-RWOPYEJCSA-N	-1	2	260.135	-3.104	50	0	endogenous,in-man	CAAALM
O=[P@@]([O-])(O)OC[C@H]1O[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1O	ZINC000003869397	372768160	/nfs/dbraw/zinc/76/81/60/372768160.db2.gz	NBSCHQHZLSJFNQ-RWOPYEJCSA-N	-1	2	260.135	-3.104	50	0	endogenous,in-man	CAAALM
O=[P@]([O-])(O)OC[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O	ZINC000004096188	372768258	/nfs/dbraw/zinc/76/82/58/372768258.db2.gz	NBSCHQHZLSJFNQ-PQMKYFCFSA-N	-1	2	260.135	-3.104	50	0	in-vivo,metabolite	CAAALM
O=[P@@]([O-])(O)OC[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O	ZINC000004096188	372768264	/nfs/dbraw/zinc/76/82/64/372768264.db2.gz	NBSCHQHZLSJFNQ-PQMKYFCFSA-N	-1	2	260.135	-3.104	50	0	in-vivo,metabolite	CAAALM
O=[P@]([O-])(O)OC[C@@H]1S[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000255989524	373308867	/nfs/dbraw/zinc/30/88/67/373308867.db2.gz	NEOSARGPNYBRLE-ZSNZIGRDSA-N	-1	2	276.203	-2.388	50	0		CAAALM
O=[P@@]([O-])(O)OC[C@@H]1S[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000255989524	373308876	/nfs/dbraw/zinc/30/88/76/373308876.db2.gz	NEOSARGPNYBRLE-ZSNZIGRDSA-N	-1	2	276.203	-2.388	50	0		CAAALM
COC(=O)c1nc2c(=O)[nH]c(=O)nc-2[n-]c1C(=O)OC	ZINC000006493600	170206414	/nfs/dbraw/zinc/20/64/14/170206414.db2.gz	GXHSPMKMYIKAIA-UHFFFAOYSA-N	-1	2	280.196	-1.420	50	0		CAAALM