smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(/C=C/c2cc(C(=O)[O-])ccc2C(=O)[O-])cc1	ZINC000039241982	344958718	/nfs/dbraw/zinc/95/87/18/344958718.db2.gz	AWALTSRUMPEPAP-GORDUTHDSA-N	-2	0	298.294	3.262	10	0		CGAERL
Cc1ccc(C(=O)[O-])c(Nc2ccccc2C(=O)[O-])c1	ZINC000039435887	344959831	/nfs/dbraw/zinc/95/98/31/344959831.db2.gz	QFTSYOOBTREBMZ-UHFFFAOYSA-N	-2	0	271.272	3.135	10	0		CGAERL
O=C([O-])CC(CC(=O)[O-])c1c(Cl)cccc1Cl	ZINC000044857515	345017088	/nfs/dbraw/zinc/01/70/88/345017088.db2.gz	ARPVXTGEZBFYLC-UHFFFAOYSA-N	-2	0	277.103	3.026	10	0		CGAERL
O=C([O-])c1c(F)c(C(=O)[O-])c(Cl)c(Cl)c1Cl	ZINC000139163335	346099050	/nfs/dbraw/zinc/09/90/50/346099050.db2.gz	SMPJUVQTXDIHQT-UHFFFAOYSA-N	-2	0	287.457	3.182	10	0		CGAERL
C/C(=C\[C@@H](C)CC[C@@H](C)/C=C(/C)C(=O)[O-])C(=O)[O-]	ZINC000098090159	185686589	/nfs/dbraw/zinc/68/65/89/185686589.db2.gz	SYBVEKRDYSUOSN-XAHJFXSTSA-N	-2	0	254.326	3.101	10	0		CGAERL
O=C([O-])c1ccccc1[C@@H]1Cc2ccccc2N(C(=O)[O-])C1	ZINC000616669662	348861214	/nfs/dbraw/zinc/86/12/14/348861214.db2.gz	JNXUIWOEVNDYLG-GFCCVEGCSA-N	-2	0	297.310	3.209	10	0		CGAERL
O=C([O-])c1ccc(-c2ccc(F)cc2C(=O)[O-])cc1F	ZINC000065354004	304230372	/nfs/dbraw/zinc/23/03/72/304230372.db2.gz	SRLOHQCYTCPHPR-UHFFFAOYSA-N	-2	0	278.210	3.028	10	0		CGAERL
COc1ccc2cc3ccccc3c(C(=O)[O-])c2c1C(=O)[O-]	ZINC000034530409	344940187	/nfs/dbraw/zinc/94/01/87/344940187.db2.gz	NBGHBGAGRYWRMX-UHFFFAOYSA-N	-2	0	296.278	3.398	10	0		CGAERL
Cc1cccc(CCc2cc(C(=O)[O-])ccc2C(=O)[O-])c1	ZINC000584615372	346693637	/nfs/dbraw/zinc/69/36/37/346693637.db2.gz	OVPYPJRXUNXBFP-UHFFFAOYSA-N	-2	0	284.311	3.177	10	0		CGAERL
O=C([O-])c1ccccc1[C@@H]1CN(C(=O)[O-])c2ccccc2N1	ZINC000616686895	348867908	/nfs/dbraw/zinc/86/79/08/348867908.db2.gz	UUYJVWYYDDAUBZ-ZDUSSCGKSA-N	-2	0	298.298	3.036	10	0		CGAERL
O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc(Cl)c(O)c2)c1	ZINC000065343604	304223697	/nfs/dbraw/zinc/22/36/97/304223697.db2.gz	FHIKYRZCWZFFOQ-UHFFFAOYSA-N	-2	0	292.674	3.109	10	0		CGAERL
Cc1ccc(CCc2cc(C(=O)[O-])ccc2C(=O)[O-])cc1	ZINC000584615396	346693934	/nfs/dbraw/zinc/69/39/34/346693934.db2.gz	QXGDYIIKXRCAHS-UHFFFAOYSA-N	-2	0	284.311	3.177	10	0		CGAERL
O=C([O-])CCc1ccccc1Nc1ccccc1C(=O)[O-]	ZINC000196153630	392975446	/nfs/dbraw/zinc/97/54/46/392975446.db2.gz	DPHJSLHLODJXOH-UHFFFAOYSA-N	-2	0	285.299	3.146	10	0		CGAERL
C[C@@H](c1cc(C(=O)[O-])sc1C(=O)[O-])C1CCC1	ZINC000675057601	543311728	/nfs/dbraw/zinc/31/17/28/543311728.db2.gz	KMVBXOARJPFXNX-ZCFIWIBFSA-N	-2	0	254.307	3.048	10	0		CGAERL
CCCCCCc1cc(C(=O)[O-])sc1C(=O)[O-]	ZINC000675057343	543311770	/nfs/dbraw/zinc/31/17/70/543311770.db2.gz	BZJNRTLFCRNAQG-UHFFFAOYSA-N	-2	0	256.323	3.267	10	0		CGAERL
CCc1c(/C=C/C(=O)[O-])ccc(/C=C/C(=O)[O-])c1CC	ZINC000059870161	345209011	/nfs/dbraw/zinc/20/90/11/345209011.db2.gz	LHUVSTJVLRNXQX-FIFLTTCUSA-N	-2	0	274.316	3.007	10	0		CGAERL
CC(C)(C)OC(=O)N=c1s[n-]c(C(F)F)c1C(=O)[O-]	ZINC000675076565	543313622	/nfs/dbraw/zinc/31/36/22/543313622.db2.gz	OZBPVNYKNRWGFY-UHFFFAOYSA-N	-2	0	294.279	3.126	10	0		CGAERL
Cc1cccc(-c2cc(C(=O)[O-])ccc2F)c1C(=O)[O-]	ZINC000065354022	301935538	/nfs/dbraw/zinc/93/55/38/301935538.db2.gz	GOCFTACAZZXNKV-UHFFFAOYSA-N	-2	0	274.247	3.198	10	0		CGAERL
O=C([O-])CCCCCCc1c2ccccc2[nH]c1C(=O)[O-]	ZINC000216411093	346289987	/nfs/dbraw/zinc/28/99/87/346289987.db2.gz	IKVNKXKSZZQCJW-UHFFFAOYSA-N	-2	0	289.331	3.444	10	0		CGAERL
O=C([O-])c1cccc([C@H]2CCN(C(=O)[O-])c3ccccc32)c1	ZINC000616586021	348837014	/nfs/dbraw/zinc/83/70/14/348837014.db2.gz	AIIYZMDGQGWSMF-CYBMUJFWSA-N	-2	0	297.310	3.405	10	0		CGAERL
O=C([O-])c1cc(-c2cc(Cl)cc(C(=O)[O-])c2)cs1	ZINC000065351245	304218794	/nfs/dbraw/zinc/21/87/94/304218794.db2.gz	ZOOCPOBXSPBURW-UHFFFAOYSA-N	-2	0	282.704	3.465	10	0		CGAERL
COc1ccc(/C=C/c2ccc(C(=O)[O-])cc2C(=O)[O-])cc1	ZINC000039241983	344958748	/nfs/dbraw/zinc/95/87/48/344958748.db2.gz	VQHWIYDWDSQPNI-GORDUTHDSA-N	-2	0	298.294	3.262	10	0		CGAERL
CCc1ccc(Nc2c(C(=O)[O-])cccc2C(=O)[O-])cc1	ZINC000140913070	346107126	/nfs/dbraw/zinc/10/71/26/346107126.db2.gz	SWCHNXWMKCJVRX-UHFFFAOYSA-N	-2	0	285.299	3.389	10	0		CGAERL
CCO[P@@](=O)([O-])CCCCCCCCCC(=O)[O-]	ZINC000141797365	346109237	/nfs/dbraw/zinc/10/92/37/346109237.db2.gz	MTBFIHMQGBTZSJ-UHFFFAOYSA-N	-2	0	280.301	3.414	10	0		CGAERL
O=C([O-])CC1(CC(=O)[O-])CCCC2(CCCCC2)C1	ZINC000048564382	345067963	/nfs/dbraw/zinc/06/79/63/345067963.db2.gz	VHYYCCCPQQYEIA-UHFFFAOYSA-N	-2	0	268.353	3.447	10	0		CGAERL
CC(C)(C)CCc1cc(C(=O)[O-])sc1C(=O)[O-]	ZINC000675058018	543312088	/nfs/dbraw/zinc/31/20/88/543312088.db2.gz	VAZSZQQDOYADJY-UHFFFAOYSA-N	-2	0	256.323	3.123	10	0		CGAERL
O=C([O-])Cc1ccc(C(F)(F)F)c([O-])c1C(F)(F)F	ZINC000575380666	377892720	/nfs/dbraw/zinc/89/27/20/377892720.db2.gz	HBARNDYBZQIJLE-UHFFFAOYSA-N	-2	0	288.143	3.057	10	0		CGAERL
Cc1cc(C(=O)[O-])ccc1-c1csc(C(=O)[O-])c1	ZINC000065351223	301155049	/nfs/dbraw/zinc/15/50/49/301155049.db2.gz	PMDZUWYUOWFTGH-UHFFFAOYSA-N	-2	0	262.286	3.120	10	0		CGAERL
O=C([O-])c1ccc([C@H]2CCN(C(=O)[O-])c3ccccc32)cc1	ZINC000616589958	348837859	/nfs/dbraw/zinc/83/78/59/348837859.db2.gz	QTVVBFRTJBSANW-CYBMUJFWSA-N	-2	0	297.310	3.405	10	0		CGAERL
O=C([O-])c1cc([S-])c(OC(F)F)c(C(F)(F)F)c1	ZINC000575666203	377943033	/nfs/dbraw/zinc/94/30/33/377943033.db2.gz	GFQFATVGLHCTHT-UHFFFAOYSA-N	-2	0	288.193	3.294	10	0		CGAERL
O=C([O-])c1cc(C(F)(F)F)cc(OC(F)F)c1[S-]	ZINC000575666559	377944308	/nfs/dbraw/zinc/94/43/08/377944308.db2.gz	JXDJBZDXBPNDHZ-UHFFFAOYSA-N	-2	0	288.193	3.294	10	0		CGAERL
O=C([O-])c1nc2ccccc2c(C(=O)[O-])c1-c1cccs1	ZINC000035576047	172272741	/nfs/dbraw/zinc/27/27/41/172272741.db2.gz	JSJPRBUVVQWZTN-UHFFFAOYSA-N	-2	0	299.307	3.360	10	0		CGAERL
Cc1cccc(-c2cc(F)cc(C(=O)[O-])c2)c1C(=O)[O-]	ZINC000065353967	301935597	/nfs/dbraw/zinc/93/55/97/301935597.db2.gz	NZYMQAVPRMYFMT-UHFFFAOYSA-N	-2	0	274.247	3.198	10	0		CGAERL
Cc1ccc(Oc2ccccc2CC(=O)[O-])c(C(=O)[O-])c1	ZINC000034309551	344938403	/nfs/dbraw/zinc/93/84/03/344938403.db2.gz	KCMNKJRNBAZDRR-UHFFFAOYSA-N	-2	0	286.283	3.113	10	0		CGAERL
CCCCCCc1ccc([C@@]2(C(=O)[O-])C[C@@H]2C(=O)[O-])cc1	ZINC000584614481	346693275	/nfs/dbraw/zinc/69/32/75/346693275.db2.gz	RBIAXAFEGMLUIF-PBHICJAKSA-N	-2	0	290.359	3.236	10	0		CGAERL
O=C([O-])c1ccccc1[C@H]1c2ccccc2CCN1C(=O)[O-]	ZINC000616677394	348864089	/nfs/dbraw/zinc/86/40/89/348864089.db2.gz	MNZOPMCDOJVBFM-OAHLLOKOSA-N	-2	0	297.310	3.010	10	0		CGAERL
O=C([O-])c1cccc([C@H]2CNc3ccccc3N2C(=O)[O-])c1	ZINC000616685524	348867223	/nfs/dbraw/zinc/86/72/23/348867223.db2.gz	QEEMRYGQJIQYEG-CQSZACIVSA-N	-2	0	298.298	3.036	10	0		CGAERL
O=C([O-])c1cc(F)cc(-c2cc(F)cc(C(=O)[O-])c2)c1	ZINC000065353981	304224789	/nfs/dbraw/zinc/22/47/89/304224789.db2.gz	SZBRQBJDVJSING-UHFFFAOYSA-N	-2	0	278.210	3.028	10	0		CGAERL
O=C([O-])c1ccc(C(=O)[O-])c(-c2nc3ccccc3s2)c1	ZINC000000262140	304239884	/nfs/dbraw/zinc/23/98/84/304239884.db2.gz	DGXLWTWFCBNANR-UHFFFAOYSA-N	-2	0	299.307	3.360	10	0		CGAERL
C#CCC(CCCCCCCCC)(C(=O)[O-])C(=O)[O-]	ZINC000139154536	346099117	/nfs/dbraw/zinc/09/91/17/346099117.db2.gz	ZPEDGUPVNWIIEQ-UHFFFAOYSA-N	-2	0	268.353	3.306	10	0		CGAERL
O=C([O-])c1ccc(C(=O)[O-])c(SCc2ccccc2)c1	ZINC000139071742	346099299	/nfs/dbraw/zinc/09/92/99/346099299.db2.gz	YMDCGVVDZQFCPH-UHFFFAOYSA-N	-2	0	288.324	3.375	10	0		CGAERL
O=C([O-])c1cc(C(F)(F)F)c(OC(F)F)cc1[S-]	ZINC000575667319	377945323	/nfs/dbraw/zinc/94/53/23/377945323.db2.gz	NYGYAHUXEOLVOJ-UHFFFAOYSA-N	-2	0	288.193	3.294	10	0		CGAERL
O=C([O-])c1cc([S-])c(C(F)(F)F)c(OC(F)F)c1	ZINC000575666378	377942940	/nfs/dbraw/zinc/94/29/40/377942940.db2.gz	ILVLZPTUXAZQLW-UHFFFAOYSA-N	-2	0	288.193	3.294	10	0		CGAERL
O=C([O-])c1cccc([C@@H]2CCN(C(=O)[O-])c3ccccc32)c1	ZINC000616673973	348863004	/nfs/dbraw/zinc/86/30/04/348863004.db2.gz	AIIYZMDGQGWSMF-ZDUSSCGKSA-N	-2	0	297.310	3.405	10	0		CGAERL
O=C([O-])c1cc(-c2cccc(Cl)c2C(=O)[O-])cs1	ZINC000065351247	304219308	/nfs/dbraw/zinc/21/93/08/304219308.db2.gz	FAXYVJDJHOYRTF-UHFFFAOYSA-N	-2	0	282.704	3.465	10	0		CGAERL
O=C([O-])c1ccc(F)c(-c2ccc(F)cc2C(=O)[O-])c1	ZINC000065354031	304245118	/nfs/dbraw/zinc/24/51/18/304245118.db2.gz	VULJYVNIOPOJPC-UHFFFAOYSA-N	-2	0	278.210	3.028	10	0		CGAERL
O=C([O-])c1cc(C2CCCCC2)c(C(=O)[O-])s1	ZINC000675058006	543311549	/nfs/dbraw/zinc/31/15/49/543311549.db2.gz	UQAUPNDNLSTZGS-UHFFFAOYSA-N	-2	0	254.307	3.192	10	0		CGAERL
COc1ccc(Oc2c(N)cc(C(=O)[O-])cc2[S-])cc1	ZINC000144348574	346117883	/nfs/dbraw/zinc/11/78/83/346117883.db2.gz	WNJWHRFERUKXSV-UHFFFAOYSA-N	-2	0	291.328	3.057	10	0		CGAERL
C/C(=C\[C@H](C)CC[C@H](C)/C=C(\C)C(=O)[O-])C(=O)[O-]	ZINC000098090158	185686850	/nfs/dbraw/zinc/68/68/50/185686850.db2.gz	SYBVEKRDYSUOSN-DJXIYMRRSA-N	-2	0	254.326	3.101	10	0		CGAERL
CCC[C@H](CC)COc1cc(C(=O)[O-])cc(C(=O)[O-])c1	ZINC000021004561	171284989	/nfs/dbraw/zinc/28/49/89/171284989.db2.gz	PVLIAAIYCTUIMD-JTQLQIEISA-N	-2	0	280.320	3.288	10	0		CGAERL
O=C([O-])c1ccc([C@@H]2Cc3ccccc3N(C(=O)[O-])C2)cc1	ZINC000616669478	348861159	/nfs/dbraw/zinc/86/11/59/348861159.db2.gz	IDKDLCOHSNGSPI-CQSZACIVSA-N	-2	0	297.310	3.209	10	0		CGAERL
O=C([O-])c1cc(OC(F)F)c(C(F)(F)F)cc1[S-]	ZINC000575668672	377946065	/nfs/dbraw/zinc/94/60/65/377946065.db2.gz	XTQUIGIMDUMBQA-UHFFFAOYSA-N	-2	0	288.193	3.294	10	0		CGAERL
CC(C)(C)c1ccc(C(CC(=O)[O-])CC(=O)[O-])cc1	ZINC000038294843	174138935	/nfs/dbraw/zinc/13/89/35/174138935.db2.gz	FAWGALXOOXRDHE-UHFFFAOYSA-N	-2	0	264.321	3.017	10	0		CGAERL
O=C([O-])c1ccc([C@@H]2c3ccccc3CCN2C(=O)[O-])cc1	ZINC000616584203	348836413	/nfs/dbraw/zinc/83/64/13/348836413.db2.gz	ICAVNKLUXDJEHZ-OAHLLOKOSA-N	-2	0	297.310	3.010	10	0		CGAERL
O=C([O-])c1ccc([C@@H]2CN(C(=O)[O-])c3ccccc3N2)cc1	ZINC000616683911	348866547	/nfs/dbraw/zinc/86/65/47/348866547.db2.gz	FTYYIZKODDEATM-ZDUSSCGKSA-N	-2	0	298.298	3.036	10	0		CGAERL
O=C([O-])c1ccccc1[C@@H]1CNc2ccccc2N1C(=O)[O-]	ZINC000616686188	348867796	/nfs/dbraw/zinc/86/77/96/348867796.db2.gz	JFNJJZMGGWDIPI-AWEZNQCLSA-N	-2	0	298.298	3.036	10	0		CGAERL
O=C([O-])c1cc(C(=O)[O-])c2ccc(-c3ccccc3)cc2n1	ZINC000026381486	368857884	/nfs/dbraw/zinc/85/78/84/368857884.db2.gz	QNWMOYGHYHFNFX-UHFFFAOYSA-N	-2	0	293.278	3.298	10	0		CGAERL
O=C([O-])c1sccc1NC(=O)c1ccc(Cl)cc1[O-]	ZINC000022147252	171357388	/nfs/dbraw/zinc/35/73/88/171357388.db2.gz	CZISYYNLWNWPIL-UHFFFAOYSA-N	-2	0	297.719	3.058	10	0		CGAERL
O=C([O-])c1ccc(SCc2ccccc2)c(C(=O)[O-])c1	ZINC000196388761	346276032	/nfs/dbraw/zinc/27/60/32/346276032.db2.gz	QAGCUYLMVGILFU-UHFFFAOYSA-N	-2	0	288.324	3.375	10	0		CGAERL
O=C([O-])c1ccccc1[C@H]1Cc2ccccc2N(C(=O)[O-])C1	ZINC000616592242	348838506	/nfs/dbraw/zinc/83/85/06/348838506.db2.gz	JNXUIWOEVNDYLG-LBPRGKRZSA-N	-2	0	297.310	3.209	10	0		CGAERL
O=C([O-])c1ccc(-c2ccc(C(=O)[O-])c(F)c2)c(F)c1	ZINC000065354006	304230187	/nfs/dbraw/zinc/23/01/87/304230187.db2.gz	XPJWWHOVVGEQGK-UHFFFAOYSA-N	-2	0	278.210	3.028	10	0		CGAERL
O=C([O-])CCCCCCCCCCSCC(=O)[O-]	ZINC000004429802	169967578	/nfs/dbraw/zinc/96/75/78/169967578.db2.gz	UZICAMHUAFUEMM-UHFFFAOYSA-N	-2	0	276.398	3.400	10	0		CGAERL
CC(C)C[C@H](C)c1cc(C(=O)[O-])sc1C(=O)[O-]	ZINC000675057533	543311665	/nfs/dbraw/zinc/31/16/65/543311665.db2.gz	IFBVMLQNCNRHRN-ZETCQYMHSA-N	-2	0	256.323	3.294	10	0		CGAERL
Cc1cc(C(=O)[O-])ccc1-c1cc(C(=O)[O-])ccc1F	ZINC000065354023	301154551	/nfs/dbraw/zinc/15/45/51/301154551.db2.gz	QOHQSFZXHBVOSH-UHFFFAOYSA-N	-2	0	274.247	3.198	10	0		CGAERL
O=C([O-])c1cc([S-])c(C(F)(F)F)cc1OC(F)F	ZINC000575665492	377941911	/nfs/dbraw/zinc/94/19/11/377941911.db2.gz	DQKHMGULYIYJTM-UHFFFAOYSA-N	-2	0	288.193	3.294	10	0		CGAERL
O=C([O-])c1cc(-c2ccc(C(=O)[O-])c(Cl)c2)cs1	ZINC000065351244	304219068	/nfs/dbraw/zinc/21/90/68/304219068.db2.gz	LUCJLMWZKZTNAW-UHFFFAOYSA-N	-2	0	282.704	3.465	10	0		CGAERL
O=C([O-])c1cc(O)cc(-c2ccc(Cl)c(C(=O)[O-])c2)c1	ZINC000065354727	304226388	/nfs/dbraw/zinc/22/63/88/304226388.db2.gz	KGLXQCMPHRHFMA-UHFFFAOYSA-N	-2	0	292.674	3.109	10	0		CGAERL
C[C@H](c1cc(C(=O)[O-])sc1C(=O)[O-])C(C)(C)C	ZINC000675057993	543311796	/nfs/dbraw/zinc/31/17/96/543311796.db2.gz	UDJPUVICEDQVCN-ZCFIWIBFSA-N	-2	0	256.323	3.294	10	0		CGAERL
O=C([O-])c1ccc(C(F)(F)F)c([O-])c1C(F)(F)F	ZINC000575381370	377892736	/nfs/dbraw/zinc/89/27/36/377892736.db2.gz	MBWQJADMVHIOSI-UHFFFAOYSA-N	-2	0	274.116	3.128	10	0		CGAERL
O=C([O-])c1ccc(-c2cccc(Cl)c2C(=O)[O-])cc1	ZINC000065350667	304230451	/nfs/dbraw/zinc/23/04/51/304230451.db2.gz	XRXVEHKYMLDOBP-UHFFFAOYSA-N	-2	0	276.675	3.403	10	0		CGAERL
O=C([O-])C[C@H](C(=O)[O-])c1ccc(C2CCCCC2)cc1	ZINC000196453663	346276073	/nfs/dbraw/zinc/27/60/73/346276073.db2.gz	MMIMBTDQSGAEEU-AWEZNQCLSA-N	-2	0	276.332	3.377	10	0		CGAERL
O=C([O-])c1ccc([C@H]2CNc3ccccc3N2C(=O)[O-])cc1	ZINC000616684233	348867212	/nfs/dbraw/zinc/86/72/12/348867212.db2.gz	IASSQTYZYJDMJQ-CQSZACIVSA-N	-2	0	298.298	3.036	10	0		CGAERL
O=C([O-])c1cc(OC(F)F)c([S-])cc1C(F)(F)F	ZINC000575667030	377944370	/nfs/dbraw/zinc/94/43/70/377944370.db2.gz	LPORHHUUKJRHSB-UHFFFAOYSA-N	-2	0	288.193	3.294	10	0		CGAERL
O=C([O-])c1c([S-])cc(C(F)(F)F)cc1OC(F)F	ZINC000575668005	377945462	/nfs/dbraw/zinc/94/54/62/377945462.db2.gz	USJATUDGZNGWOW-UHFFFAOYSA-N	-2	0	288.193	3.294	10	0		CGAERL
Cc1ccc(-c2cccc(C(=O)[O-])c2)c(C(=O)[O-])c1	ZINC000065350625	301467479	/nfs/dbraw/zinc/46/74/79/301467479.db2.gz	UBVFQDVHGORDQC-UHFFFAOYSA-N	-2	0	256.257	3.058	10	0		CGAERL
Cc1cccc(-c2csc(C(=O)[O-])c2)c1C(=O)[O-]	ZINC000065351222	301935756	/nfs/dbraw/zinc/93/57/56/301935756.db2.gz	FMFDOLIPIKNEAF-UHFFFAOYSA-N	-2	0	262.286	3.120	10	0		CGAERL
Nc1cc(C(=O)[O-])cc([S-])c1Sc1ccccc1	ZINC000584597860	346688499	/nfs/dbraw/zinc/68/84/99/346688499.db2.gz	QAPQMVXIBXUVRX-UHFFFAOYSA-N	-2	0	277.370	3.407	10	0		CGAERL
CC(C)C[C@@H](C)c1cc(C(=O)[O-])sc1C(=O)[O-]	ZINC000675057531	543311751	/nfs/dbraw/zinc/31/17/51/543311751.db2.gz	IFBVMLQNCNRHRN-SSDOTTSWSA-N	-2	0	256.323	3.294	10	0		CGAERL
Cc1cccc(Nc2c(C(=O)[O-])cccc2C(=O)[O-])c1C	ZINC000196395419	346275869	/nfs/dbraw/zinc/27/58/69/346275869.db2.gz	IDHVYHCKCXQXDW-UHFFFAOYSA-N	-2	0	285.299	3.443	10	0		CGAERL
O=C([O-])c1cc(C(=O)[O-])c2cc(-c3ccccc3)ccc2n1	ZINC000026380878	368858320	/nfs/dbraw/zinc/85/83/20/368858320.db2.gz	GPQKGYIFICVYNW-UHFFFAOYSA-N	-2	0	293.278	3.298	10	0		CGAERL
O=C([O-])c1ccc(F)c(-c2cc(F)cc(C(=O)[O-])c2)c1	ZINC000065353977	304244685	/nfs/dbraw/zinc/24/46/85/304244685.db2.gz	WITJYRWAWLSGKW-UHFFFAOYSA-N	-2	0	278.210	3.028	10	0		CGAERL
O=C([O-])c1cc(F)cc(-c2ccc(F)c(C(=O)[O-])c2)c1	ZINC000065353980	304224769	/nfs/dbraw/zinc/22/47/69/304224769.db2.gz	CJQQCGHGDRXUSK-UHFFFAOYSA-N	-2	0	278.210	3.028	10	0		CGAERL
O=C([O-])c1ccc(-n2ccc3cc(C(=O)[O-])ccc32)cc1	ZINC000095934581	304231027	/nfs/dbraw/zinc/23/10/27/304231027.db2.gz	BJHWREWVNAYEAK-UHFFFAOYSA-N	-2	0	281.267	3.027	10	0		CGAERL
C[C@@H](c1cc(C(=O)[O-])sc1C(=O)[O-])C(C)(C)C	ZINC000675057992	543311760	/nfs/dbraw/zinc/31/17/60/543311760.db2.gz	UDJPUVICEDQVCN-LURJTMIESA-N	-2	0	256.323	3.294	10	0		CGAERL
Cc1cccc(C(=O)[O-])c1Nc1ccccc1C(=O)[O-]	ZINC000034321064	344938626	/nfs/dbraw/zinc/93/86/26/344938626.db2.gz	ONMIAXGBOQATNO-UHFFFAOYSA-N	-2	0	271.272	3.135	10	0		CGAERL
O=C([O-])Cc1ccc([C@@H](CC(=O)[O-])C2CCCCC2)cc1	ZINC000584596222	346687573	/nfs/dbraw/zinc/68/75/73/346687573.db2.gz	FETHRDYFVIAHII-HNNXBMFYSA-N	-2	0	290.359	3.452	10	0		CGAERL
O=C([O-])c1cc(-c2ccc(Cl)c(C(=O)[O-])c2)cs1	ZINC000065351243	304219187	/nfs/dbraw/zinc/21/91/87/304219187.db2.gz	HGPQNDOUIOFWML-UHFFFAOYSA-N	-2	0	282.704	3.465	10	0		CGAERL
O=C([O-])c1cc(F)cc(-c2cc(F)ccc2C(=O)[O-])c1	ZINC000065353975	304224823	/nfs/dbraw/zinc/22/48/23/304224823.db2.gz	BHAOFYKFRACTIN-UHFFFAOYSA-N	-2	0	278.210	3.028	10	0		CGAERL
O=C([O-])c1ccc(C(=O)[O-])c(CCc2ccccc2F)c1	ZINC000039241985	344958891	/nfs/dbraw/zinc/95/88/91/344958891.db2.gz	ODXJZJUYZWHKKK-UHFFFAOYSA-N	-2	0	288.274	3.007	10	0		CGAERL
C/C=C/C(/C=C/C)(C(=O)[O-])C(/C=C/C)(/C=C/C)C(=O)[O-]	ZINC000034065139	368971282	/nfs/dbraw/zinc/97/12/82/368971282.db2.gz	GGQRKYMKYMRZTF-HFBXSBKTSA-N	-2	0	278.348	3.433	10	0		CGAERL
CC(C)(C)c1cc(C(=O)[O-])c(Cl)c(C(=O)[O-])c1	ZINC000218788438	376189216	/nfs/dbraw/zinc/18/92/16/376189216.db2.gz	GFEBFZUYCDCVNK-UHFFFAOYSA-N	-2	0	256.685	3.034	10	0		CGAERL
O=C([O-])c1cc(C(F)(F)F)c([O-])c(C(F)(F)F)c1	ZINC000575340277	377882296	/nfs/dbraw/zinc/88/22/96/377882296.db2.gz	VZEMSNKYSUZUMB-UHFFFAOYSA-N	-2	0	274.116	3.128	10	0		CGAERL
Nc1cc(C(=O)[O-])cc([S-])c1Oc1ccccc1	ZINC000144358708	346117853	/nfs/dbraw/zinc/11/78/53/346117853.db2.gz	WZZOFEQPOFKTFE-UHFFFAOYSA-N	-2	0	261.302	3.048	10	0		CGAERL
O=C([O-])c1ccc(F)c(-c2cccc(F)c2C(=O)[O-])c1	ZINC000065354035	304245051	/nfs/dbraw/zinc/24/50/51/304245051.db2.gz	DXRHLZAWRKKDHB-UHFFFAOYSA-N	-2	0	278.210	3.028	10	0		CGAERL
Cc1c(C(=O)[O-])cccc1-c1ccc(C(=O)[O-])cc1	ZINC000065350648	300947349	/nfs/dbraw/zinc/94/73/49/300947349.db2.gz	HDCSWMYIUIEBGP-UHFFFAOYSA-N	-2	0	256.257	3.058	10	0		CGAERL
Cc1ccc(CCc2ccc(C(=O)[O-])cc2C(=O)[O-])c(C)c1	ZINC000584615597	346693805	/nfs/dbraw/zinc/69/38/05/346693805.db2.gz	ZUSRMKAAQIAYTI-UHFFFAOYSA-N	-2	0	298.338	3.485	10	0		CGAERL
O=C([O-])c1ccc([C@H]2CN(C(=O)[O-])c3ccccc3N2)cc1	ZINC000616683014	348866425	/nfs/dbraw/zinc/86/64/25/348866425.db2.gz	FTYYIZKODDEATM-CYBMUJFWSA-N	-2	0	298.298	3.036	10	0		CGAERL
O=C([O-])c1ccccc1[C@H]1CNc2ccccc2N1C(=O)[O-]	ZINC000616684250	348866860	/nfs/dbraw/zinc/86/68/60/348866860.db2.gz	JFNJJZMGGWDIPI-CQSZACIVSA-N	-2	0	298.298	3.036	10	0		CGAERL
C[C@H](c1cc(C(=O)[O-])sc1C(=O)[O-])C1CCC1	ZINC000675057600	543311811	/nfs/dbraw/zinc/31/18/11/543311811.db2.gz	KMVBXOARJPFXNX-LURJTMIESA-N	-2	0	254.307	3.048	10	0		CGAERL
O=C([O-])c1ccccc1[C@H]1CCN(C(=O)[O-])c2ccccc21	ZINC000616588428	348837636	/nfs/dbraw/zinc/83/76/36/348837636.db2.gz	JTSMFLRECQFUEZ-GFCCVEGCSA-N	-2	0	297.310	3.405	10	0		CGAERL
Cc1c(Nc2ccccc2C(=O)[O-])cccc1C(=O)[O-]	ZINC000022054026	171351025	/nfs/dbraw/zinc/35/10/25/171351025.db2.gz	OOQQWHSTKBWQPB-UHFFFAOYSA-N	-2	0	271.272	3.135	10	0	in-vitro	CGAERL
O=C([O-])C/C=C(\CCCC1CCCCC1)C(=O)[O-]	ZINC000034523104	344940385	/nfs/dbraw/zinc/94/03/85/344940385.db2.gz	FWLMZQIJPNNEAL-FMIVXFBMSA-N	-2	0	254.326	3.223	10	0		CGAERL
O=C([O-])c1cc2cc3ccccc3cc2cc1C(=O)[O-]	ZINC000039205416	344958065	/nfs/dbraw/zinc/95/80/65/344958065.db2.gz	GQKVCZAPFYNZHX-UHFFFAOYSA-N	-2	0	266.252	3.389	10	0		CGAERL
CCCC(CC(=O)[O-])(CC(=O)[O-])c1ccc(Cl)cc1	ZINC000034488890	344939738	/nfs/dbraw/zinc/93/97/38/344939738.db2.gz	FPMLNDUISRMCIF-UHFFFAOYSA-N	-2	0	284.739	3.327	10	0		CGAERL
O=C([O-])c1ccc([C@@H]2CNc3ccccc3N2C(=O)[O-])cc1	ZINC000616686083	348867604	/nfs/dbraw/zinc/86/76/04/348867604.db2.gz	IASSQTYZYJDMJQ-AWEZNQCLSA-N	-2	0	298.298	3.036	10	0		CGAERL
O=C([O-])c1ccc([C@H]2Cc3ccccc3N(C(=O)[O-])C2)cc1	ZINC000616670539	348861584	/nfs/dbraw/zinc/86/15/84/348861584.db2.gz	IDKDLCOHSNGSPI-AWEZNQCLSA-N	-2	0	297.310	3.209	10	0		CGAERL
O=C([O-])c1ccccc1[C@@H]1CCN(C(=O)[O-])c2ccccc21	ZINC000616674890	348862820	/nfs/dbraw/zinc/86/28/20/348862820.db2.gz	JTSMFLRECQFUEZ-LBPRGKRZSA-N	-2	0	297.310	3.405	10	0		CGAERL
CCC[C@@H](CC)COc1cc(C(=O)[O-])cc(C(=O)[O-])c1	ZINC000021004560	171285038	/nfs/dbraw/zinc/28/50/38/171285038.db2.gz	PVLIAAIYCTUIMD-SNVBAGLBSA-N	-2	0	280.320	3.288	10	0		CGAERL
O=C([O-])c1cc(C(F)(F)F)c([S-])cc1OC(F)F	ZINC000575666930	377944349	/nfs/dbraw/zinc/94/43/49/377944349.db2.gz	KUTWSCABFSGNNZ-UHFFFAOYSA-N	-2	0	288.193	3.294	10	0		CGAERL
O=C([O-])C[C@@H](C(=O)[O-])c1ccc(C2CCCCC2)cc1	ZINC000196453653	346275883	/nfs/dbraw/zinc/27/58/83/346275883.db2.gz	MMIMBTDQSGAEEU-CQSZACIVSA-N	-2	0	276.332	3.377	10	0		CGAERL
Cc1ccccc1CCc1cc(C(=O)[O-])ccc1C(=O)[O-]	ZINC000584615436	346693668	/nfs/dbraw/zinc/69/36/68/346693668.db2.gz	SWKDJCAXTFNFHZ-UHFFFAOYSA-N	-2	0	284.311	3.177	10	0		CGAERL
O=C([O-])c1ccc([C@H]2c3ccccc3CCN2C(=O)[O-])cc1	ZINC000616677215	348863882	/nfs/dbraw/zinc/86/38/82/348863882.db2.gz	ICAVNKLUXDJEHZ-HNNXBMFYSA-N	-2	0	297.310	3.010	10	0		CGAERL
O=C([O-])c1c([S-])cc(OC(F)F)cc1C(F)(F)F	ZINC000575668582	377946236	/nfs/dbraw/zinc/94/62/36/377946236.db2.gz	WWPWMNJUXNLWQH-UHFFFAOYSA-N	-2	0	288.193	3.294	10	0		CGAERL
O=C([O-])c1cccc(-c2cc(Cl)ccc2C(=O)[O-])c1	ZINC000065350642	304254844	/nfs/dbraw/zinc/25/48/44/304254844.db2.gz	OBEYYDVTJVOARX-UHFFFAOYSA-N	-2	0	276.675	3.403	10	0		CGAERL
O=C([O-])c1cc(C(=O)[O-])c2c(cccc2-c2ccccc2)n1	ZINC000026377312	171480660	/nfs/dbraw/zinc/48/06/60/171480660.db2.gz	QOFMNBAYKIGGRF-UHFFFAOYSA-N	-2	0	293.278	3.298	10	0		CGAERL
O=C([O-])c1cccc([C@@H]2Cc3ccccc3N(C(=O)[O-])C2)c1	ZINC000616669512	348861127	/nfs/dbraw/zinc/86/11/27/348861127.db2.gz	IIURDRJCOOVBBI-CQSZACIVSA-N	-2	0	297.310	3.209	10	0		CGAERL
O=C([O-])c1ccc(-c2cccc(F)c2C(=O)[O-])cc1F	ZINC000065354009	304230691	/nfs/dbraw/zinc/23/06/91/304230691.db2.gz	NJRGNRRHGFNFMO-UHFFFAOYSA-N	-2	0	278.210	3.028	10	0		CGAERL
CCC(C)(C)Cc1cc(C(=O)[O-])sc1C(=O)[O-]	ZINC000675058270	543312408	/nfs/dbraw/zinc/31/24/08/543312408.db2.gz	ZJRWLCAKOOHYMW-UHFFFAOYSA-N	-2	0	256.323	3.123	10	0		CGAERL
O=C([O-])CCC1(CCC(=O)[O-])CCC[C@@H](C(F)(F)F)C1	ZINC000584614144	346692967	/nfs/dbraw/zinc/69/29/67/346692967.db2.gz	UTCISKVNONQYFI-SECBINFHSA-N	-2	0	296.285	3.455	10	0		CGAERL
O=C([O-])c1cccc([C@@H]2CNc3ccccc3N2C(=O)[O-])c1	ZINC000616686726	348867783	/nfs/dbraw/zinc/86/77/83/348867783.db2.gz	QEEMRYGQJIQYEG-AWEZNQCLSA-N	-2	0	298.298	3.036	10	0		CGAERL
O=C([O-])c1cccc([C@@H]2c3ccccc3CCN2C(=O)[O-])c1	ZINC000616680494	348865610	/nfs/dbraw/zinc/86/56/10/348865610.db2.gz	WSBGPOKDLFMFCU-OAHLLOKOSA-N	-2	0	297.310	3.010	10	0		CGAERL
O=C([O-])c1ccccc1[C@H]1CN(C(=O)[O-])c2ccccc2N1	ZINC000616685826	348867563	/nfs/dbraw/zinc/86/75/63/348867563.db2.gz	UUYJVWYYDDAUBZ-CYBMUJFWSA-N	-2	0	298.298	3.036	10	0		CGAERL
O=C([O-])c1cc([S-])c(OC(F)F)cc1C(F)(F)F	ZINC000575666212	377943004	/nfs/dbraw/zinc/94/30/04/377943004.db2.gz	GLDOZEIORNUNOK-UHFFFAOYSA-N	-2	0	288.193	3.294	10	0		CGAERL
O=C([O-])c1ccc(-n2ccc3cc(C(=O)[O-])ccc32)s1	ZINC000095934613	304230984	/nfs/dbraw/zinc/23/09/84/304230984.db2.gz	GQBHQNYVIXMDQW-UHFFFAOYSA-N	-2	0	287.296	3.088	10	0		CGAERL
Cc1c(C(=O)[O-])cccc1-c1cccc(C(=O)[O-])c1	ZINC000065350624	300947324	/nfs/dbraw/zinc/94/73/24/300947324.db2.gz	UDBLHPZDJWWNQW-UHFFFAOYSA-N	-2	0	256.257	3.058	10	0		CGAERL
O=C([O-])c1cccc([C@H]2CN(C(=O)[O-])c3ccccc3N2)c1	ZINC000616684086	348867054	/nfs/dbraw/zinc/86/70/54/348867054.db2.gz	JXRZAJYYGOOUGJ-CYBMUJFWSA-N	-2	0	298.298	3.036	10	0		CGAERL
O=C([O-])Cc1cc(C(F)(F)F)c([O-])c(C(F)(F)F)c1	ZINC000575340590	377881935	/nfs/dbraw/zinc/88/19/35/377881935.db2.gz	PEGSAVSNDYSYAC-UHFFFAOYSA-N	-2	0	288.143	3.057	10	0		CGAERL
O=C([O-])c1cccc([C@@H]2CN(C(=O)[O-])c3ccccc3N2)c1	ZINC000616685496	348866891	/nfs/dbraw/zinc/86/68/91/348866891.db2.gz	JXRZAJYYGOOUGJ-ZDUSSCGKSA-N	-2	0	298.298	3.036	10	0		CGAERL
O=C([O-])c1ccc(F)c(-c2cc(C(=O)[O-])ccc2F)c1	ZINC000065354032	304244805	/nfs/dbraw/zinc/24/48/05/304244805.db2.gz	MNWWTSNXEMLIJV-UHFFFAOYSA-N	-2	0	278.210	3.028	10	0		CGAERL
Cc1c(C(=O)[O-])cccc1-c1cc(C(=O)[O-])ccc1F	ZINC000065354024	300947346	/nfs/dbraw/zinc/94/73/46/300947346.db2.gz	NHALYFMDAGXCQE-UHFFFAOYSA-N	-2	0	274.247	3.198	10	0		CGAERL
O=C([O-])c1cccc2cc3ccccc3c(C(=O)[O-])c21	ZINC000039409977	344960065	/nfs/dbraw/zinc/96/00/65/344960065.db2.gz	RUANQJMORZSBEK-UHFFFAOYSA-N	-2	0	266.252	3.389	10	0		CGAERL
O=C([O-])c1c(Cl)cc(Cl)c(Cl)c1C(=O)[O-]	ZINC000038273574	369146086	/nfs/dbraw/zinc/14/60/86/369146086.db2.gz	DCACTBQREATMLX-UHFFFAOYSA-N	-2	0	269.467	3.043	10	0		CGAERL
Cc1ccc(-c2ccc(C(=O)[O-])c(F)c2)c(C(=O)[O-])c1	ZINC000065353998	301467135	/nfs/dbraw/zinc/46/71/35/301467135.db2.gz	YFCBJXHVKXNYSH-UHFFFAOYSA-N	-2	0	274.247	3.198	10	0		CGAERL
C/C(=C/[C@H](C)CC[C@H](C)/C=C(/C)C(=O)[O-])C(=O)[O-]	ZINC000098090161	185686517	/nfs/dbraw/zinc/68/65/17/185686517.db2.gz	SYBVEKRDYSUOSN-VCCUOSKHSA-N	-2	0	254.326	3.101	10	0		CGAERL
O=C([O-])c1cc([S-])cc(OC(F)F)c1C(F)(F)F	ZINC000575668591	377946277	/nfs/dbraw/zinc/94/62/77/377946277.db2.gz	WZXYSUQWKAFLPA-UHFFFAOYSA-N	-2	0	288.193	3.294	10	0		CGAERL
O=C([O-])Cc1ccc([C@H](CC(=O)[O-])C2CCCCC2)cc1	ZINC000584596223	346687818	/nfs/dbraw/zinc/68/78/18/346687818.db2.gz	FETHRDYFVIAHII-OAHLLOKOSA-N	-2	0	290.359	3.452	10	0		CGAERL
O=C([O-])c1ccc(-c2cc(F)ccc2C(=O)[O-])cc1F	ZINC000065354003	304230073	/nfs/dbraw/zinc/23/00/73/304230073.db2.gz	HOLALQBPYOWILM-UHFFFAOYSA-N	-2	0	278.210	3.028	10	0		CGAERL
O=C([O-])c1ccc(-c2cc(C(=O)[O-])ccc2F)c(F)c1	ZINC000065354033	304230105	/nfs/dbraw/zinc/23/01/05/304230105.db2.gz	MIEMAWDSBZRUOP-UHFFFAOYSA-N	-2	0	278.210	3.028	10	0		CGAERL
CC(C)(C)C1CCC(CC(=O)[O-])(CC(=O)[O-])CC1	ZINC000144105536	346117015	/nfs/dbraw/zinc/11/70/15/346117015.db2.gz	HDSYFUVAVYGQEB-UHFFFAOYSA-N	-2	0	256.342	3.159	10	0		CGAERL
O=C([O-])CCC1(CCC(=O)[O-])CCC[C@H](C(F)(F)F)C1	ZINC000584614145	346693181	/nfs/dbraw/zinc/69/31/81/346693181.db2.gz	UTCISKVNONQYFI-VIFPVBQESA-N	-2	0	296.285	3.455	10	0		CGAERL
O=C([O-])c1c(OC(F)F)cc([S-])cc1C(F)(F)F	ZINC000575666590	377944284	/nfs/dbraw/zinc/94/42/84/377944284.db2.gz	KJXODFGHEAXVJQ-UHFFFAOYSA-N	-2	0	288.193	3.294	10	0		CGAERL
O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc(O)c(Cl)c2)c1	ZINC000065343603	304223744	/nfs/dbraw/zinc/22/37/44/304223744.db2.gz	OFAWZTHNQQIVPZ-UHFFFAOYSA-N	-2	0	292.674	3.109	10	0		CGAERL
Cc1ccc(C(=O)[O-])c(Nc2c(C)cccc2C(=O)[O-])c1	ZINC000034461226	344939823	/nfs/dbraw/zinc/93/98/23/344939823.db2.gz	AQDGEUMMMQRBPR-UHFFFAOYSA-N	-2	0	285.299	3.443	10	0	in-vitro	CGAERL
O=C([O-])c1cc([S-])cc(Br)c1Cl	ZINC000160404643	346170598	/nfs/dbraw/zinc/17/05/98/346170598.db2.gz	GWDDUQWPRVDOGG-UHFFFAOYSA-N	-2	0	267.531	3.089	10	0		CGAERL
O=C([O-])c1cccc([C@H]2Cc3ccccc3N(C(=O)[O-])C2)c1	ZINC000616670554	348861928	/nfs/dbraw/zinc/86/19/28/348861928.db2.gz	IIURDRJCOOVBBI-AWEZNQCLSA-N	-2	0	297.310	3.209	10	0		CGAERL
O=C([O-])c1ccccc1[C@@H]1c2ccccc2CCN1C(=O)[O-]	ZINC000616679237	348865051	/nfs/dbraw/zinc/86/50/51/348865051.db2.gz	MNZOPMCDOJVBFM-HNNXBMFYSA-N	-2	0	297.310	3.010	10	0		CGAERL
O=C([O-])c1ccc(OC(F)F)c([S-])c1C(F)(F)F	ZINC000575665537	377941989	/nfs/dbraw/zinc/94/19/89/377941989.db2.gz	FDKYQTQWVDXPAW-UHFFFAOYSA-N	-2	0	288.193	3.294	10	0		CGAERL
O=C([O-])c1cc(OC(F)F)cc([S-])c1C(F)(F)F	ZINC000575666904	377944164	/nfs/dbraw/zinc/94/41/64/377944164.db2.gz	KRAAADSNZIFBEU-UHFFFAOYSA-N	-2	0	288.193	3.294	10	0		CGAERL
O=C([O-])c1cc([S-])cc(C(F)(F)F)c1OC(F)F	ZINC000575667006	377944406	/nfs/dbraw/zinc/94/44/06/377944406.db2.gz	LMEXCPNANSJORN-UHFFFAOYSA-N	-2	0	288.193	3.294	10	0		CGAERL
O=C([O-])c1cccc(-c2cccc(Cl)c2C(=O)[O-])c1	ZINC000065350643	304255257	/nfs/dbraw/zinc/25/52/57/304255257.db2.gz	OPMNTGIAPUTBMG-UHFFFAOYSA-N	-2	0	276.675	3.403	10	0		CGAERL
Cc1ccc(-c2ccc(C(=O)[O-])cc2)c(C(=O)[O-])c1	ZINC000065350649	301467203	/nfs/dbraw/zinc/46/72/03/301467203.db2.gz	BXNULDKSJDBXON-UHFFFAOYSA-N	-2	0	256.257	3.058	10	0		CGAERL
Cc1ccc(CC(=O)[O-])c(Oc2ccccc2C(=O)[O-])c1	ZINC000139449727	346100352	/nfs/dbraw/zinc/10/03/52/346100352.db2.gz	DORTVNHXYCTYKB-UHFFFAOYSA-N	-2	0	286.283	3.113	10	0		CGAERL
Cc1ccc(C(=O)[O-])c(Oc2ccccc2CC(=O)[O-])c1	ZINC000196910645	346277156	/nfs/dbraw/zinc/27/71/56/346277156.db2.gz	HVOQWVZBSUZPML-UHFFFAOYSA-N	-2	0	286.283	3.113	10	0		CGAERL
CC1(C)CC(c2cc(C(=O)[O-])sc2C(=O)[O-])C1	ZINC000675057594	543311598	/nfs/dbraw/zinc/31/15/98/543311598.db2.gz	KETZWYPJGVPQAJ-UHFFFAOYSA-N	-2	0	254.307	3.048	10	0		CGAERL
CCCC[C@@H](C)c1cc(C(=O)[O-])sc1C(=O)[O-]	ZINC000675057765	543311900	/nfs/dbraw/zinc/31/19/00/543311900.db2.gz	NUDQDYBDNGLLSS-SSDOTTSWSA-N	-2	0	256.323	3.438	10	0		CGAERL
Cc1ccc(Nc2c(C(=O)[O-])cccc2C(=O)[O-])cc1	ZINC000196395374	346275636	/nfs/dbraw/zinc/27/56/36/346275636.db2.gz	PGNYVWDSCYYWGJ-UHFFFAOYSA-N	-2	0	271.272	3.135	10	0		CGAERL
O=C([O-])c1cc(C(=O)[O-])c2cccc(-c3ccccc3)c2n1	ZINC000026381482	368857707	/nfs/dbraw/zinc/85/77/07/368857707.db2.gz	CWBNCWXCCCIIBM-UHFFFAOYSA-N	-2	0	293.278	3.298	10	0		CGAERL
O=C([O-])c1ccc(-c2cc(C(=O)[O-])ccc2Cl)cc1	ZINC000065350668	304230144	/nfs/dbraw/zinc/23/01/44/304230144.db2.gz	UINMNOGWILARLL-UHFFFAOYSA-N	-2	0	276.675	3.403	10	0		CGAERL
CCCC[C@H](C)c1cc(C(=O)[O-])sc1C(=O)[O-]	ZINC000675057766	543311860	/nfs/dbraw/zinc/31/18/60/543311860.db2.gz	NUDQDYBDNGLLSS-ZETCQYMHSA-N	-2	0	256.323	3.438	10	0		CGAERL
O=C([O-])c1cc(F)cc(-c2cccc(F)c2C(=O)[O-])c1	ZINC000065353982	304224808	/nfs/dbraw/zinc/22/48/08/304224808.db2.gz	IXPDZVSESBCYPE-UHFFFAOYSA-N	-2	0	278.210	3.028	10	0		CGAERL
C=C(c1ccc(C(=O)[O-])cc1)c1ccc(C(=O)[O-])cc1	ZINC000039647825	277811560	/nfs/dbraw/zinc/81/15/60/277811560.db2.gz	LVFLRPDXMINWBT-UHFFFAOYSA-N	-2	0	268.268	3.145	10	0		CGAERL
Cc1ccc(-c2cc(C(=O)[O-])ccc2F)c(C(=O)[O-])c1	ZINC000065354025	301467090	/nfs/dbraw/zinc/46/70/90/301467090.db2.gz	PSJAESJDFRTQPK-UHFFFAOYSA-N	-2	0	274.247	3.198	10	0		CGAERL
O=C([O-])CC(CC(=O)[O-])c1ccc(-c2ccccc2)cc1	ZINC000039083610	344958009	/nfs/dbraw/zinc/95/80/09/344958009.db2.gz	HKQZJNDVFFBKIW-UHFFFAOYSA-N	-2	0	284.311	3.387	10	0		CGAERL
O=C([O-])/C=C/c1ccc(/C=C/C(=O)[O-])c2ccccc12	ZINC000034524034	344940245	/nfs/dbraw/zinc/94/02/45/344940245.db2.gz	BXZQNBQBZLWKSR-FIFLTTCUSA-N	-2	0	268.268	3.035	10	0		CGAERL
O=C([O-])c1cc(-c2cc(C(=O)[O-])ccc2Cl)cs1	ZINC000065351248	304218876	/nfs/dbraw/zinc/21/88/76/304218876.db2.gz	RLAAKASKRRPODL-UHFFFAOYSA-N	-2	0	282.704	3.465	10	0		CGAERL
O=C([O-])c1ccc(NC(=O)c2ccc(Cl)cc2[O-])s1	ZINC000035426337	172194057	/nfs/dbraw/zinc/19/40/57/172194057.db2.gz	RRIUSTLKQHZHDZ-UHFFFAOYSA-N	-2	0	297.719	3.058	10	0		CGAERL
O=C([O-])c1cc(OC(F)F)c([S-])c(C(F)(F)F)c1	ZINC000575665501	377941790	/nfs/dbraw/zinc/94/17/90/377941790.db2.gz	DRZGNIUSMCNZSC-UHFFFAOYSA-N	-2	0	288.193	3.294	10	0		CGAERL
Cc1oc(C(=O)[O-])cc1CSCc1ccoc1C(=O)[O-]	ZINC000005060500	170062339	/nfs/dbraw/zinc/06/23/39/170062339.db2.gz	HRVDFCIZZAXAEH-UHFFFAOYSA-N	-2	0	296.300	3.011	10	0		CGAERL
O=C([O-])c1sccc1NC(=O)c1cc(Cl)ccc1[O-]	ZINC000020552182	171247324	/nfs/dbraw/zinc/24/73/24/171247324.db2.gz	CELZFIXXLCACLP-UHFFFAOYSA-N	-2	0	297.719	3.058	10	0		CGAERL
O=C([O-])c1cccc([C@H]2c3ccccc3CCN2C(=O)[O-])c1	ZINC000616589213	348837692	/nfs/dbraw/zinc/83/76/92/348837692.db2.gz	WSBGPOKDLFMFCU-HNNXBMFYSA-N	-2	0	297.310	3.010	10	0		CGAERL
O=C([O-])c1ccc2sc3ccc(C(=O)[O-])cc3c2c1	ZINC000026459645	526386395	/nfs/dbraw/zinc/38/63/95/526386395.db2.gz	GZLNXGRYYDFZDG-UHFFFAOYSA-N	-2	0	272.281	3.451	10	0		CGAERL
Cc1cc(C(=O)[O-])ccc1-c1ccc(C(=O)[O-])cc1C	ZINC000034751637	344940698	/nfs/dbraw/zinc/94/06/98/344940698.db2.gz	VUYFKAXNJXFNFA-UHFFFAOYSA-N	-2	0	270.284	3.367	10	0		CGAERL
O=C([O-])c1cccc(C(=O)[O-])c1SCc1ccccc1	ZINC000196388710	346275561	/nfs/dbraw/zinc/27/55/61/346275561.db2.gz	QGYBQEOFWGVWSV-UHFFFAOYSA-N	-2	0	288.324	3.375	10	0		CGAERL
O=C([O-])c1ccc(-c2cc(Cl)ccc2C(=O)[O-])cc1	ZINC000065350666	304230148	/nfs/dbraw/zinc/23/01/48/304230148.db2.gz	JBTRJEGROJSVLJ-UHFFFAOYSA-N	-2	0	276.675	3.403	10	0		CGAERL
O=C([O-])c1ccc(NC(=O)c2cc(Cl)ccc2[O-])s1	ZINC000035426318	172193967	/nfs/dbraw/zinc/19/39/67/172193967.db2.gz	NCCUYOWWMGXCHZ-UHFFFAOYSA-N	-2	0	297.719	3.058	10	0		CGAERL
O=C([O-])c1ccc(C(=O)[O-])c2cc3ccccc3cc12	ZINC000059304424	345207598	/nfs/dbraw/zinc/20/75/98/345207598.db2.gz	HJGMZNDYNFRASP-UHFFFAOYSA-N	-2	0	266.252	3.389	10	0		CGAERL
O=C([O-])c1ccc([C@@H]2CCN(C(=O)[O-])c3ccccc32)cc1	ZINC000616675806	348864095	/nfs/dbraw/zinc/86/40/95/348864095.db2.gz	QTVVBFRTJBSANW-ZDUSSCGKSA-N	-2	0	297.310	3.405	10	0		CGAERL
O=C([O-])c1cc(OC(F)F)cc(C(F)(F)F)c1[S-]	ZINC000575667816	377945449	/nfs/dbraw/zinc/94/54/49/377945449.db2.gz	QUAUUZMYQYUXJO-UHFFFAOYSA-N	-2	0	288.193	3.294	10	0		CGAERL
O=C([O-])CCc1cccc(Nc2ccccc2C(=O)[O-])c1	ZINC000196153643	392975146	/nfs/dbraw/zinc/97/51/46/392975146.db2.gz	PHBOJAOYZGQVFD-UHFFFAOYSA-N	-2	0	285.299	3.146	10	0		CGAERL
O=C([O-])c1cc(C(F)(F)F)cc([S-])c1OC(F)F	ZINC000575667045	377944096	/nfs/dbraw/zinc/94/40/96/377944096.db2.gz	LVDADTNBHLEXSR-UHFFFAOYSA-N	-2	0	288.193	3.294	10	0		CGAERL
Cc1ccc(C)c(Nc2c(C(=O)[O-])cccc2C(=O)[O-])c1	ZINC000039002735	344957390	/nfs/dbraw/zinc/95/73/90/344957390.db2.gz	MFFVELUUDZWUNX-UHFFFAOYSA-N	-2	0	285.299	3.443	10	0		CGAERL
Cc1c(C)c(C(=O)[O-])ccc1Oc1ccc(C(=O)[O-])cc1	ZINC000082098951	300951627	/nfs/dbraw/zinc/95/16/27/300951627.db2.gz	XZPNUBATQSMDRD-UHFFFAOYSA-N	-2	0	286.283	3.492	10	0		CGAERL