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(c1ccc2ccccc2c1)[C@H](c1ccccc1)P(=O)([O-])[O-]	ZINC000027879765	202161951	/nfs/dbraw/zinc/16/19/51/202161951.db2.gz	XVXRNTOTXWKEAH-SFHVURJKSA-N	-2	3	326.288	3.942	1	0		EHAFHL
Cc1cc2nc(CP(=O)([O-])[O-])c(-c3ccccc3)nc2cc1C	ZINC000026284031	202141105	/nfs/dbraw/zinc/14/11/05/202141105.db2.gz	XWEHUTJAIUSWQQ-UHFFFAOYSA-N	-2	3	328.308	3.591	1	0		EHAFHL
CC(C)=CCc1cc(C(=O)C=C([O-])c2ccc(O)cc2)c([O-])cc1O	ZINC000102943533	560050740	/nfs/dbraw/zinc/05/07/40/560050740.db2.gz	VAWLLIOUAFRMHN-UHFFFAOYSA-N	-2	3	340.375	3.768	1	0	biogenic,in-vitro	EHAFHL
CC(C)(c1ccccc1)S(=O)(=O)[N-]c1cc(Cl)ccc1[O-]	ZINC000029464953	202187305	/nfs/dbraw/zinc/18/73/05/202187305.db2.gz	UGIFDEQPUPYNBI-UHFFFAOYSA-N	-2	3	325.817	3.723	1	0		EHAFHL
CN1CC=C(c2c([O-])cc([O-])c3c(=O)cc(-c4ccccc4)oc32)CC1	ZINC000025989396	202137682	/nfs/dbraw/zinc/13/76/82/202137682.db2.gz	DFVGFKOVGWBMFZ-UHFFFAOYSA-N	-2	3	349.386	3.590	1	0		EHAFHL
O=c1cc(-c2cccc(Br)c2)oc2cc([O-])cc([O-])c12	ZINC000028364536	202170602	/nfs/dbraw/zinc/17/06/02/202170602.db2.gz	LQUWHSYVFIZOEA-UHFFFAOYSA-N	-2	3	333.137	3.634	1	0		EHAFHL
O=C1[N-]C(=O)C(=Cc2ccc(-c3cc(F)cc(F)c3[O-])s2)S1	ZINC000035962282	213053125	/nfs/dbraw/zinc/05/31/25/213053125.db2.gz	NRUOQMAAFHGBEE-WZUFQYTHSA-N	-2	3	339.344	3.723	1	0		EHAFHL
COc1cc(-c2oc3cc(=O)cc([O-])c-3cc2OC)cc(OC)c1[O-]	ZINC000095913675	291002395	/nfs/dbraw/zinc/00/23/95/291002395.db2.gz	GXYSHDPUDFPNHL-UHFFFAOYSA-O	-2	3	345.327	3.524	1	0	biogenic,in-vitro	EHAFHL
Cc1c(C(=O)[O-])oc2cccc(O[C@H](C(=O)[O-])c3ccccc3)c12	ZINC000098082981	219081179	/nfs/dbraw/zinc/08/11/79/219081179.db2.gz	SYCSYPPEAVXWKB-INIZCTEOSA-N	-2	3	326.304	3.644	1	0		EHAFHL
COc1cc([O-])c(C(=O)c2cccc(O)c2CC=C(C)C)c([O-])c1	ZINC000003630056	291002404	/nfs/dbraw/zinc/00/24/04/291002404.db2.gz	PPLJPJXZLUVDGT-UHFFFAOYSA-N	-2	3	328.364	3.552	1	0	biogenic,in-vitro	EHAFHL
CC(C)CC/C=C/C=C/C(=O)Nc1cc(CCC(=O)[O-])c(O)cc1[O-]	ZINC000169330549	527682501	/nfs/dbraw/zinc/68/25/01/527682501.db2.gz	YNZQGWOIMLILOA-PBOULFJWSA-N	-2	3	347.411	3.602	1	0		EHAFHL
Cc1nc(Cc2cccc3ccccc32)c(CCC(=O)[O-])c(C=O)c1[O-]	ZINC000103242025	219274675	/nfs/dbraw/zinc/27/46/75/219274675.db2.gz	AUWOHRUFVOQPRJ-UHFFFAOYSA-N	-2	3	349.386	3.669	1	0		EHAFHL
CC1(C)C=Cc2cc(C(=O)C=C([O-])c3ccc(O)cc3)c([O-])cc2O1	ZINC000102943558	219242089	/nfs/dbraw/zinc/24/20/89/219242089.db2.gz	KXBWVUQZNQMUBZ-UHFFFAOYSA-N	-2	3	338.359	3.738	1	0		EHAFHL
O=c1cc(-c2ccccc2)oc2c1c([O-])cc([O-])c2-c1cccnc1	ZINC000072118049	216012836	/nfs/dbraw/zinc/01/28/36/216012836.db2.gz	RQGMCSGTLHPVCO-UHFFFAOYSA-N	-2	3	331.327	3.933	1	0		EHAFHL
CCOc1cccc2c1Oc1nc(-c3ccccc3[O-])[n-]c(=O)c1C2	ZINC000004169838	210137774	/nfs/dbraw/zinc/13/77/74/210137774.db2.gz	KOJAKNAMQGXILI-UHFFFAOYSA-N	-2	3	336.347	3.650	1	0		EHAFHL
COc1ccc(-c2snnc2-c2cc(Cl)c([O-])cc2[O-])cc1	ZINC000040380033	213294462	/nfs/dbraw/zinc/29/44/62/213294462.db2.gz	FHKZHOZHULTQJI-UHFFFAOYSA-N	-2	3	334.784	3.945	1	0	in-vitro	EHAFHL
Cc1c(C(=O)[O-])oc2cccc(O[C@@H](C(=O)[O-])c3ccccc3)c12	ZINC000098082982	219080801	/nfs/dbraw/zinc/08/08/01/219080801.db2.gz	SYCSYPPEAVXWKB-MRXNPFEDSA-N	-2	3	326.304	3.644	1	0		EHAFHL
Cc1nc(Cc2cccc3ccccc32)c(/C=C/C(=O)[O-])c(C=O)c1[O-]	ZINC000103242023	219274842	/nfs/dbraw/zinc/27/48/42/219274842.db2.gz	WMQCLIDCYHPNTF-MDZDMXLPSA-N	-2	3	347.370	3.750	1	0		EHAFHL
O=c1cc(-c2ccccc2)oc2c1c([O-])cc([O-])c2-c1ccncc1	ZINC000072119017	216012352	/nfs/dbraw/zinc/01/23/52/216012352.db2.gz	NDRNJMYHGVBPRY-UHFFFAOYSA-N	-2	3	331.327	3.933	1	0		EHAFHL