smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@H]1CC[C@@H]2OP(=O)([O-])[O-]	ZINC000006202618	204240792	/nfs/dbraw/zinc/24/07/92/204240792.db2.gz	BBWXLCKRYRQQPL-JCECYMMASA-N	-2	0	352.367	3.726	1	0		FHAFRL
COc1ccc(C(=O)c2coc(-c3ccccc3C(=O)[O-])c2C(=O)[O-])cc1	ZINC000008684322	204338373	/nfs/dbraw/zinc/33/83/73/204338373.db2.gz	KPJYADJFIOTXCR-UHFFFAOYSA-N	-2	0	366.325	3.583	3	0		FHAFRL
O=C(Nc1ccc(Cl)cc1)c1ccc(C(F)(F)P(=O)([O-])[O-])cc1	ZINC000049032869	205167685	/nfs/dbraw/zinc/16/76/85/205167685.db2.gz	GBLFATMXGLLWEJ-UHFFFAOYSA-N	-2	0	361.668	3.819	1	0		FHAFRL
CSCCc1c2ccccc2n(Cc2cccc(C(=O)[O-])c2)c1C(=O)[O-]	ZINC000064559327	205301000	/nfs/dbraw/zinc/30/10/00/205301000.db2.gz	YHIFIQSFUSBKEZ-UHFFFAOYSA-N	-2	0	369.442	3.992	1	0		FHAFRL
CC1(C)OC(=S)[N-]c2ccc([N-]S(=O)(=O)c3cccs3)cc21	ZINC000043131422	205101049	/nfs/dbraw/zinc/10/10/49/205101049.db2.gz	GHXBKNOADUCFQA-UHFFFAOYSA-N	-2	0	354.478	3.511	1	0		FHAFRL
O=C(Nc1cccc(Cl)c1)c1ccc(C(F)(F)P(=O)([O-])[O-])cc1	ZINC000049033829	205167309	/nfs/dbraw/zinc/16/73/09/205167309.db2.gz	XIHUSPVOXMDIBU-UHFFFAOYSA-N	-2	0	361.668	3.819	1	0		FHAFRL
O=C([O-])CCCC/C=C\CC(=O)CC/C=C/C=C\[C@H](O)CCCC(=O)[O-]	ZINC000085588825	571783721	/nfs/dbraw/zinc/78/37/21/571783721.db2.gz	RYMSXFPLTLWXCK-VJNSNPJLSA-N	-2	0	366.454	3.655	1	0	endogenous,in-man	FHAFRL
O=C([O-])c1cccc(Sc2ccc(Br)cc2C(=O)[O-])c1	ZINC000036388410	205014617	/nfs/dbraw/zinc/01/46/17/205014617.db2.gz	ZJBKKFVYDALTJP-UHFFFAOYSA-N	-2	0	353.193	3.997	3	0		FHAFRL
CC(C)(C(=O)[O-])[C@H]1CC[C@@]23C[C@@H](CC[C@@H]2[C@@]1(C)CC(=O)[O-])[C@@]1(C)O[C@H]13	ZINC000100782192	571836984	/nfs/dbraw/zinc/83/69/84/571836984.db2.gz	QGTMYAPGXJWNQR-DXWGQHDXSA-N	-2	0	350.455	3.562	1	0	endogenous,in-man	FHAFRL
O=C([O-])c1cc2c(cc1C[C@H](Cc1ccc3c(c1)CCC3)C(=O)[O-])CCC2	ZINC000006513390	207143368	/nfs/dbraw/zinc/14/33/68/207143368.db2.gz	YAVADTCKKPLTJJ-FQEVSTJZSA-N	-2	0	364.441	3.848	1	0		FHAFRL
C[C@]12CC[C@@H]3c4ccc(OP(=O)([O-])[O-])cc4CC[C@H]3[C@@H]1CCC2=O	ZINC000004683870	560199587	/nfs/dbraw/zinc/19/95/87/560199587.db2.gz	XYNRXDLLYXFCRS-CBZIJGRNSA-N	-2	0	350.351	3.583	1	0	in-vitro	FHAFRL
COc1cc(-c2cc3cc(/C=C/C(=O)[O-])cc(O)c3o2)ccc1N(C)C	ZINC000096934956	209162505	/nfs/dbraw/zinc/16/25/05/209162505.db2.gz	GGUDELIGBWVBQV-QPJJXVBHSA-N	-2	0	353.374	3.978	1	0		FHAFRL
Cc1ncc(C(=O)[O-])nc1-c1ccc([C@H]2CC[C@H](CC(=O)[O-])CC2)cc1	ZINC000103070017	209245044	/nfs/dbraw/zinc/24/50/44/209245044.db2.gz	VRNUGKOLVIVNBO-OKILXGFUSA-N	-2	0	354.406	3.899	1	0		FHAFRL
O=C([O-])/C=C/c1cccc(NC(=O)Nc2cccc(/C=C/C(=O)[O-])c2)c1	ZINC000103246197	209249261	/nfs/dbraw/zinc/24/92/61/209249261.db2.gz	ZQDDNNFESAFMNY-FIFLTTCUSA-N	-2	0	352.346	3.526	1	0		FHAFRL
COc1ccc(-c2cc3cc(/C=C/C(=O)[O-])cc(O)c3o2)cc1N(C)C	ZINC000096934924	209162609	/nfs/dbraw/zinc/16/26/09/209162609.db2.gz	FKDHFVBIOUVOJL-QPJJXVBHSA-N	-2	0	353.374	3.978	1	0		FHAFRL
CC(C)c1ccc(C(C)C)c(C(=O)C[C@@H](SCC(=O)[O-])C(=O)[O-])c1	ZINC000028472410	207964765	/nfs/dbraw/zinc/96/47/65/207964765.db2.gz	LIYXNOYPTOVXMO-MRXNPFEDSA-N	-2	0	352.452	3.777	1	0		FHAFRL
CC(C)=CCC/C(C)=C/CCC[C@@H]([P@@](=O)([O-])O)[P@](=O)([O-])CO	ZINC000013742084	211055647	/nfs/dbraw/zinc/05/56/47/211055647.db2.gz	MOUIHKXMHOTURX-MAUPQMMJSA-N	-2	0	354.320	3.573	1	0		FHAFRL
Nc1nc(-c2ccc(P(=O)([O-])[O-])o2)c(-c2ccc3ccccc3c2)s1	ZINC000066101316	221242069	/nfs/dbraw/zinc/24/20/69/221242069.db2.gz	NEWRPBLPJFLNQF-UHFFFAOYSA-N	-2	0	372.342	3.609	1	0		FHAFRL
O=C([O-])CCc1c(C(=O)[O-])[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c21	ZINC000103297405	222333642	/nfs/dbraw/zinc/33/36/42/222333642.db2.gz	QBBWSGUOOGKLSA-UHFFFAOYSA-N	-2	0	369.217	3.921	1	0		FHAFRL
Cc1nc(-c2cccc(Oc3ccccc3)c2)c(C(=O)[O-])c(C(=O)[O-])c1O	ZINC000103242006	222327935	/nfs/dbraw/zinc/32/79/35/222327935.db2.gz	CDAIMRKZCYXGTE-UHFFFAOYSA-N	-2	0	365.341	3.951	1	0		FHAFRL
CC(C)=CCC/C(C)=C/CC/C(C)=C/C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-]	ZINC000013742385	220091936	/nfs/dbraw/zinc/09/19/36/220091936.db2.gz	BLLKEMRRIDEHKU-QNKSZLNVSA-N	-2	0	365.470	3.840	1	0		FHAFRL
CCCc1ncc(C(=O)[O-])n1Cc1ccc(-c2ccccc2C(=O)[O-])cc1	ZINC000013745617	220092639	/nfs/dbraw/zinc/09/26/39/220092639.db2.gz	XAANVAVVCXGDGH-UHFFFAOYSA-N	-2	0	364.401	3.947	1	0		FHAFRL
COc1cc(/C=C/C(=O)[O-])ccc1Oc1ccc(/C=C/C(=O)[O-])cc1OC	ZINC000014635115	220128738	/nfs/dbraw/zinc/12/87/38/220128738.db2.gz	BRYJSPGJWTUCLS-NXZHAISVSA-N	-2	0	370.357	3.692	1	0		FHAFRL
CC(C)=CCC/C(C)=C/CCC[C@H]([P@@](=O)([O-])O)[P@](=O)([O-])CO	ZINC000013742085	220092666	/nfs/dbraw/zinc/09/26/66/220092666.db2.gz	MOUIHKXMHOTURX-CZAWJFPGSA-N	-2	0	354.320	3.573	1	0		FHAFRL
CC(C)=CCC/C(=C\CC/C(=C\CCC1=CCOC1=O)C(=O)[O-])C(=O)[O-]	ZINC000014654720	220128362	/nfs/dbraw/zinc/12/83/62/220128362.db2.gz	PNULYALODGNHHJ-FAYHMPLTSA-N	-2	0	362.422	3.798	1	0		FHAFRL
CC(C)=CCC/C(C)=C/CC/C(C)=C/C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-]	ZINC000013742384	220091711	/nfs/dbraw/zinc/09/17/11/220091711.db2.gz	BLLKEMRRIDEHKU-KOCIXHNPSA-N	-2	0	365.470	3.840	1	0		FHAFRL
O=C([O-])c1ccc(C(=O)[O-])c(C(=O)Nc2ccc3c(c2)-c2ccccc2C3)c1	ZINC000040408791	220906021	/nfs/dbraw/zinc/90/60/21/220906021.db2.gz	IQMJGZDTKVHSRN-UHFFFAOYSA-N	-2	0	373.364	3.907	1	0		FHAFRL
CC(C)(C(=O)[O-])[C@@H]1CC[C@@]23C[C@@H](CC[C@@H]2[C@@]1(C)CC(=O)[O-])[C@@]1(C)O[C@H]13	ZINC000100782189	571836963	/nfs/dbraw/zinc/83/69/63/571836963.db2.gz	QGTMYAPGXJWNQR-FYEVZXGNSA-N	-2	0	350.455	3.562	1	0	endogenous,in-man	FHAFRL