smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)C[C@H](O)c1coc2cc(O)cc(C(=O)[O-])c2c1=O	ZINC000096911628	185129523	/nfs/dbraw/zinc/12/95/23/185129523.db2.gz	PEKVXUBDORIMOH-JTQLQIEISA-N	-1	2	292.243	1.209	1	0		CDAFLM
COc1ccc(/C=C/[N+](=O)[O-])cc1O[P@@](=O)([O-])O	ZINC000045353112	175361662	/nfs/dbraw/zinc/36/16/62/175361662.db2.gz	AEWNOOFMOXCCKI-SNAWJCMRSA-N	-1	2	275.153	1.414	1	0		CDAFLM
COc1ccc(/C=C/[N+](=O)[O-])cc1O[P@](=O)([O-])O	ZINC000045353112	175361663	/nfs/dbraw/zinc/36/16/63/175361663.db2.gz	AEWNOOFMOXCCKI-SNAWJCMRSA-N	-1	2	275.153	1.414	1	0		CDAFLM
Nc1nc2c(s1)CCc1cc(O[P@@](=O)([O-])O)ccc1-2	ZINC000045245553	175336259	/nfs/dbraw/zinc/33/62/59/175336259.db2.gz	KHWQDCPHOYRCNM-UHFFFAOYSA-N	-1	2	298.260	1.962	1	0		CDAFLM
Nc1nc2c(s1)CCc1cc(O[P@](=O)([O-])O)ccc1-2	ZINC000045245553	175336260	/nfs/dbraw/zinc/33/62/60/175336260.db2.gz	KHWQDCPHOYRCNM-UHFFFAOYSA-N	-1	2	298.260	1.962	1	0		CDAFLM
CCn1cc(C(=O)O)c(=O)c2cc(F)c(C(=O)[O-])cc21	ZINC000028250201	171554316	/nfs/dbraw/zinc/55/43/16/171554316.db2.gz	ZHUBQPAWRWQXNU-UHFFFAOYSA-N	-1	2	279.223	1.557	1	0		CDAFLM
Nc1nc2c(s1)CCc1cc([P@@](=O)([O-])O)ccc1-2	ZINC000045245881	175336453	/nfs/dbraw/zinc/33/64/53/175336453.db2.gz	GRIRMGUBHXHKDF-UHFFFAOYSA-N	-1	2	282.261	1.294	1	0		CDAFLM
Nc1nc2c(s1)CCc1cc([P@](=O)([O-])O)ccc1-2	ZINC000045245881	175336454	/nfs/dbraw/zinc/33/64/54/175336454.db2.gz	GRIRMGUBHXHKDF-UHFFFAOYSA-N	-1	2	282.261	1.294	1	0		CDAFLM
Nc1nc2c(s1)CCc1cccc(O[P@@](=O)([O-])O)c1-2	ZINC000045299699	175355002	/nfs/dbraw/zinc/35/50/02/175355002.db2.gz	FYWJSXDKISWQDJ-UHFFFAOYSA-N	-1	2	298.260	1.962	1	0		CDAFLM
Nc1nc2c(s1)CCc1cccc(O[P@](=O)([O-])O)c1-2	ZINC000045299699	175355005	/nfs/dbraw/zinc/35/50/05/175355005.db2.gz	FYWJSXDKISWQDJ-UHFFFAOYSA-N	-1	2	298.260	1.962	1	0		CDAFLM
Nc1nc2c(s1)CCc1ccc([P@@](=O)([O-])O)cc1-2	ZINC000045245882	175336521	/nfs/dbraw/zinc/33/65/21/175336521.db2.gz	BDWFRPBDHXHMRF-UHFFFAOYSA-N	-1	2	282.261	1.294	1	0		CDAFLM
Nc1nc2c(s1)CCc1ccc([P@](=O)([O-])O)cc1-2	ZINC000045245882	175336522	/nfs/dbraw/zinc/33/65/22/175336522.db2.gz	BDWFRPBDHXHMRF-UHFFFAOYSA-N	-1	2	282.261	1.294	1	0		CDAFLM
O=C([O-])c1c(C(=O)O)cccc1N1CCC[C@H](O)C1	ZINC000096911037	136521351	/nfs/dbraw/zinc/52/13/51/136521351.db2.gz	ILPPMQMNZFNHOK-QMMMGPOBSA-N	-1	2	265.265	1.044	1	0		CDAFLM
Nc1nc2c(s1)Cc1cc(O[P@@](=O)([O-])O)ccc1-2	ZINC000045245244	175336445	/nfs/dbraw/zinc/33/64/45/175336445.db2.gz	BJUOTBOXMXYYTI-UHFFFAOYSA-N	-1	2	284.233	1.768	1	0		CDAFLM
Nc1nc2c(s1)Cc1cc(O[P@](=O)([O-])O)ccc1-2	ZINC000045245244	175336446	/nfs/dbraw/zinc/33/64/46/175336446.db2.gz	BJUOTBOXMXYYTI-UHFFFAOYSA-N	-1	2	284.233	1.768	1	0		CDAFLM
Cc1ccc[nH+]c1N[C@H]([P@](C)(=O)[O-])[P@@](=O)([O-])O	ZINC000013887233	581092617	/nfs/dbraw/zinc/09/26/17/581092617.db2.gz	VSTKZMZIQPQQSU-MRVPVSSYSA-N	-1	2	280.157	1.163	1	0		CDAFLM
Cc1ccc[nH+]c1N[C@H]([P@](C)(=O)[O-])[P@](=O)([O-])O	ZINC000013887233	581092618	/nfs/dbraw/zinc/09/26/18/581092618.db2.gz	VSTKZMZIQPQQSU-MRVPVSSYSA-N	-1	2	280.157	1.163	1	0		CDAFLM
Nc1nc2c(s1)Cc1cccc(O[P@@](=O)([O-])O)c1-2	ZINC000045300672	175354900	/nfs/dbraw/zinc/35/49/00/175354900.db2.gz	KGPSDZDNZYKNDT-UHFFFAOYSA-N	-1	2	284.233	1.768	1	0		CDAFLM
Nc1nc2c(s1)Cc1cccc(O[P@](=O)([O-])O)c1-2	ZINC000045300672	175354901	/nfs/dbraw/zinc/35/49/01/175354901.db2.gz	KGPSDZDNZYKNDT-UHFFFAOYSA-N	-1	2	284.233	1.768	1	0		CDAFLM
Nc1nc2c(s1)CCCc1ccc([P@@](=O)([O-])O)cc1-2	ZINC000045245243	175336314	/nfs/dbraw/zinc/33/63/14/175336314.db2.gz	UOPUGNSXPYURCF-UHFFFAOYSA-N	-1	2	296.288	1.684	1	0		CDAFLM
Nc1nc2c(s1)CCCc1ccc([P@](=O)([O-])O)cc1-2	ZINC000045245243	175336315	/nfs/dbraw/zinc/33/63/15/175336315.db2.gz	UOPUGNSXPYURCF-UHFFFAOYSA-N	-1	2	296.288	1.684	1	0		CDAFLM
Nc1nc2c(s1)CCc1ccc(O[P@@](=O)([O-])O)cc1-2	ZINC000039035257	174161749	/nfs/dbraw/zinc/16/17/49/174161749.db2.gz	SJPRRARYUZBNAD-UHFFFAOYSA-N	-1	2	298.260	1.962	1	0	in-vitro	CDAFLM
Nc1nc2c(s1)CCc1ccc(O[P@](=O)([O-])O)cc1-2	ZINC000039035257	174161750	/nfs/dbraw/zinc/16/17/50/174161750.db2.gz	SJPRRARYUZBNAD-UHFFFAOYSA-N	-1	2	298.260	1.962	1	0	in-vitro	CDAFLM
Cn1c2cccc(N)c2nc1-c1ccc([P@@](=O)([O-])O)o1	ZINC000045286920	175353935	/nfs/dbraw/zinc/35/39/35/175353935.db2.gz	MYQLBNKTEVZSMJ-UHFFFAOYSA-N	-1	2	293.219	1.219	1	0		CDAFLM
Cn1c2cccc(N)c2nc1-c1ccc([P@](=O)([O-])O)o1	ZINC000045286920	175353936	/nfs/dbraw/zinc/35/39/36/175353936.db2.gz	MYQLBNKTEVZSMJ-UHFFFAOYSA-N	-1	2	293.219	1.219	1	0		CDAFLM
O=C([O-])CSc1c(O)[nH]c2ccccc2c1=O	ZINC000006494036	170206713	/nfs/dbraw/zinc/20/67/13/170206713.db2.gz	QFXOENBFOOHHKT-UHFFFAOYSA-N	-1	2	251.263	1.823	3	0		CDAFLM
O=C([O-])CSc1c(=O)[nH]c2ccccc2c1O	ZINC000006494036	170206714	/nfs/dbraw/zinc/20/67/14/170206714.db2.gz	QFXOENBFOOHHKT-UHFFFAOYSA-N	-1	2	251.263	1.823	3	0		CDAFLM
Nc1nc2c(s1)Cc1ccc(O[P@@](=O)([O-])O)cc1-2	ZINC000045254419	175336779	/nfs/dbraw/zinc/33/67/79/175336779.db2.gz	FYLSFWVZTRUVHI-UHFFFAOYSA-N	-1	2	284.233	1.598	1	0		CDAFLM
Nc1nc2c(s1)Cc1ccc(O[P@](=O)([O-])O)cc1-2	ZINC000045254419	175336780	/nfs/dbraw/zinc/33/67/80/175336780.db2.gz	FYLSFWVZTRUVHI-UHFFFAOYSA-N	-1	2	284.233	1.598	1	0		CDAFLM
Cc1ccc[nH+]c1N[C@@H]([P@](C)(=O)[O-])[P@@](=O)([O-])O	ZINC000001551185	581092601	/nfs/dbraw/zinc/09/26/01/581092601.db2.gz	VSTKZMZIQPQQSU-QMMMGPOBSA-N	-1	2	280.157	1.163	1	0		CDAFLM
Cc1ccc[nH+]c1N[C@@H]([P@](C)(=O)[O-])[P@](=O)([O-])O	ZINC000001551185	581092602	/nfs/dbraw/zinc/09/26/02/581092602.db2.gz	VSTKZMZIQPQQSU-QMMMGPOBSA-N	-1	2	280.157	1.163	1	0		CDAFLM
Nc1nc2c(s1)CCc1cccc([P@@](=O)([O-])O)c1-2	ZINC000045289803	175353958	/nfs/dbraw/zinc/35/39/58/175353958.db2.gz	LYGAOQBGUXHANC-UHFFFAOYSA-N	-1	2	282.261	1.124	1	0		CDAFLM
Nc1nc2c(s1)CCc1cccc([P@](=O)([O-])O)c1-2	ZINC000045289803	175353959	/nfs/dbraw/zinc/35/39/59/175353959.db2.gz	LYGAOQBGUXHANC-UHFFFAOYSA-N	-1	2	282.261	1.124	1	0		CDAFLM
CCCNC(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1O	ZINC000095617665	571796273	/nfs/dbraw/zinc/79/62/73/571796273.db2.gz	QRXRPQPWKRLTQX-UHFFFAOYSA-N	-1	2	292.744	1.444	1	0	endogenous,world	CDAFLM
O=C(OCO[P@](=O)([O-])O)OC1Cc2ccccc2C1	ZINC000096928075	185131784	/nfs/dbraw/zinc/13/17/84/185131784.db2.gz	DDUZZMFINYTOMG-UHFFFAOYSA-N	-1	2	288.192	1.374	1	0		CDAFLM
O=C(OCO[P@@](=O)([O-])O)OC1Cc2ccccc2C1	ZINC000096928075	185131785	/nfs/dbraw/zinc/13/17/85/185131785.db2.gz	DDUZZMFINYTOMG-UHFFFAOYSA-N	-1	2	288.192	1.374	1	0		CDAFLM