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([O-])Cc1c2cc3c(cc2oc1-c1ccccc1)OCO3	ZINC001547138431	938150881	/nfs/dbraw/zinc/15/08/81/938150881.db2.gz	ANGXFYYYQBAHCP-UHFFFAOYSA-N	-1	0	296.278	3.456	40	0		CGABRM
O=C([O-])c1cc(F)cc(Br)c1Br	ZINC000162571963	346178699	/nfs/dbraw/zinc/17/86/99/346178699.db2.gz	UCDOEKJKBQPFIP-UHFFFAOYSA-N	-1	0	297.905	3.049	40	0		CGABRM
O=C([O-])[C@@H]1CCC[C@@H]1C(=O)c1ccc(Br)cc1	ZINC000011919438	304117595	/nfs/dbraw/zinc/11/75/95/304117595.db2.gz	BVTWSRUFFHBCHO-WDEREUQCSA-N	-1	0	297.148	3.133	40	0		CGABRM
CCCCO[C@H](Cc1cccc(Cl)c1)C(=O)[O-]	ZINC000225060311	189743912	/nfs/dbraw/zinc/74/39/12/189743912.db2.gz	MLMRSKQYFLXUAL-GFCCVEGCSA-N	-1	0	256.729	3.152	40	0		CGABRM
Cc1ccc(Nc2nc(CC(=O)[O-])cs2)cc1C	ZINC000000874104	368398206	/nfs/dbraw/zinc/39/82/06/368398206.db2.gz	LMOGWJWRORVXND-UHFFFAOYSA-N	-1	0	262.334	3.131	40	0		CGABRM
COc1ccccc1[C@@H](OC)c1ccccc1C(=O)[O-]	ZINC000002046337	368444809	/nfs/dbraw/zinc/44/48/09/368444809.db2.gz	BSZVPIUZRZUMFY-HNNXBMFYSA-N	-1	0	272.300	3.129	40	0		CGABRM
O=C([O-])c1ccc2nc(NC(=O)c3ccccc3)sc2c1	ZINC000002729010	368473417	/nfs/dbraw/zinc/47/34/17/368473417.db2.gz	REHLLTKTXBWDMD-UHFFFAOYSA-N	-1	0	298.323	3.247	40	0		CGABRM
Cc1ccc(C)c2nc(SCC(=O)[O-])c(C)cc12	ZINC000004169261	368535205	/nfs/dbraw/zinc/53/52/05/368535205.db2.gz	IDPIYOLLJMMBMM-UHFFFAOYSA-N	-1	0	261.346	3.337	40	0		CGABRM
CC1(C)[C@@H]([C@H](O)Cc2ccccc2)CC[C@@]1(C)C(=O)[O-]	ZINC000003846039	368521223	/nfs/dbraw/zinc/52/12/23/368521223.db2.gz	GHNNJPAHRGNFBK-CPUCHLNUSA-N	-1	0	276.376	3.117	40	0		CGABRM
COc1ccc(/C(=C\c2ccccc2)C(=O)[O-])cc1OC	ZINC000004683285	368557233	/nfs/dbraw/zinc/55/72/33/368557233.db2.gz	IHXYYTMTGDMOPP-GXDHUFHOSA-N	-1	0	284.311	3.329	40	0		CGABRM
CCn1c2ccccc2s/c1=N\C(=O)c1ccccc1[O-]	ZINC000018145185	368740052	/nfs/dbraw/zinc/74/00/52/368740052.db2.gz	VLQWLSJANMNBNH-MSUUIHNZSA-N	-1	0	298.367	3.169	40	0		CGABRM
O=C([O-])c1cccnc1Nc1cccc(Br)c1	ZINC000019845058	368773090	/nfs/dbraw/zinc/77/30/90/368773090.db2.gz	GCUXKFCTQXPSFE-UHFFFAOYSA-N	-1	0	293.120	3.286	40	0		CGABRM
COc1cccc(COCc2ccccc2C)c1C(=O)[O-]	ZINC000035973487	369005946	/nfs/dbraw/zinc/00/59/46/369005946.db2.gz	JDLRXMYUOOAKCD-UHFFFAOYSA-N	-1	0	286.327	3.419	40	0		CGABRM
COc1c(Br)cc(C(C)C)cc1C(=O)[O-]	ZINC000057339100	369535091	/nfs/dbraw/zinc/53/50/91/369535091.db2.gz	IIKFKWTYABZVMD-UHFFFAOYSA-N	-1	0	273.126	3.279	40	0		CGABRM
O=C([O-])COc1cccc(F)c1Oc1ccccc1	ZINC000257268595	190024201	/nfs/dbraw/zinc/02/42/01/190024201.db2.gz	MMJDQFHXPUCHFL-UHFFFAOYSA-N	-1	0	262.236	3.081	40	0		CGABRM
Cc1c(C(=O)[O-])c2ccccc2n1C(=O)c1cccs1	ZINC000216951348	376170402	/nfs/dbraw/zinc/17/04/02/376170402.db2.gz	UISQEWGSYXOCCJ-UHFFFAOYSA-N	-1	0	285.324	3.398	40	0		CGABRM
CCCn1c(Cc2ccc(C)cc2)ccc1C(=O)[O-]	ZINC000226029349	376338902	/nfs/dbraw/zinc/33/89/02/376338902.db2.gz	HAKRQLBWLNNCNY-UHFFFAOYSA-N	-1	0	257.333	3.496	40	0		CGABRM
Cc1cccc(O[C@H](Cc2ccccc2)C(=O)[O-])c1	ZINC000225013211	376291969	/nfs/dbraw/zinc/29/19/69/376291969.db2.gz	ICVAGLUQBBDWBK-OAHLLOKOSA-N	-1	0	256.301	3.070	40	0		CGABRM
Cc1ccc(C[C@@H](Oc2ccccc2C)C(=O)[O-])cc1	ZINC000225019510	376293562	/nfs/dbraw/zinc/29/35/62/376293562.db2.gz	DQVZOTVVVDAPKZ-MRXNPFEDSA-N	-1	0	270.328	3.378	40	0		CGABRM
CO[C@H](Cc1ccccc1Sc1ccccc1)C(=O)[O-]	ZINC000225132360	376294549	/nfs/dbraw/zinc/29/45/49/376294549.db2.gz	UOEFKPPTQUTCGF-CQSZACIVSA-N	-1	0	288.368	3.480	40	0		CGABRM
Nc1ccc(NCCC2=CCCCC2)c(C(=O)[O-])c1	ZINC000225323374	376303189	/nfs/dbraw/zinc/30/31/89/376303189.db2.gz	JBQDOVAJGRIQCE-UHFFFAOYSA-N	-1	0	260.337	3.269	40	0		CGABRM
CCCC(=O)Nc1cc(C(=O)[O-])cc(Cl)c1Cl	ZINC000226354381	376354871	/nfs/dbraw/zinc/35/48/71/376354871.db2.gz	LNPZDNWGPSHXCL-UHFFFAOYSA-N	-1	0	276.119	3.430	40	0		CGABRM
C[C@@H]1CCCCN1C(=O)C[C@H](CC(=O)[O-])c1ccccc1	ZINC000217798613	296308656	/nfs/dbraw/zinc/30/86/56/296308656.db2.gz	XIQNVGUALWSPTA-UKRRQHHQSA-N	-1	0	289.375	3.036	40	0		CGABRM
O=C([O-])c1ccccc1S[C@@H]1OC(=O)c2ccccc21	ZINC000001699349	304271590	/nfs/dbraw/zinc/27/15/90/304271590.db2.gz	LNRUZHRUESSXQS-HNNXBMFYSA-N	-1	0	286.308	3.346	40	0		CGABRM
O=C([O-])c1cccc(Cn2ccc3ccccc32)c1	ZINC000000582587	169673112	/nfs/dbraw/zinc/67/31/12/169673112.db2.gz	ZCLFXMFRTQUTMS-UHFFFAOYSA-N	-1	0	251.285	3.388	40	0		CGABRM
O=C([O-])c1nc(-c2ccccc2)n(-c2ccc(Cl)cc2)n1	ZINC000000480008	304282754	/nfs/dbraw/zinc/28/27/54/304282754.db2.gz	JYCWXEPVWKSUOY-UHFFFAOYSA-N	-1	0	299.717	3.286	40	0		CGABRM
CC(C)(C)c1ccc(OCc2ncc(C(=O)[O-])cn2)cc1	ZINC000058042300	392111215	/nfs/dbraw/zinc/11/12/15/392111215.db2.gz	LCAVYLVLEPJMON-UHFFFAOYSA-N	-1	0	286.331	3.051	40	0		CGABRM
Cc1cc(SCc2ccccc2)ncc1C(=O)[O-]	ZINC000072223443	392203374	/nfs/dbraw/zinc/20/33/74/392203374.db2.gz	WZNYURJOLPTEAV-UHFFFAOYSA-N	-1	0	259.330	3.381	40	0		CGABRM
Cc1ccc(-c2nc(N(C)C)sc2CC(=O)[O-])cc1C	ZINC000076533053	392216361	/nfs/dbraw/zinc/21/63/61/392216361.db2.gz	YNUYKNRRXGFLER-UHFFFAOYSA-N	-1	0	290.388	3.120	40	0		CGABRM
CCCCNC(=O)CC1(C(=O)[O-])CCCCCCC1	ZINC000072209748	397640582	/nfs/dbraw/zinc/64/05/82/397640582.db2.gz	UGGOIHMVXUMJEY-UHFFFAOYSA-N	-1	0	269.385	3.108	40	0		CGABRM
COc1ccc(/C=C/C(=O)Nc2cccc(C(=O)[O-])c2)cc1	ZINC000005513450	170106315	/nfs/dbraw/zinc/10/63/15/170106315.db2.gz	KNPQLPLKYUEILY-JXMROGBWSA-N	-1	0	297.310	3.045	40	0		CGABRM
O=Cc1cn(Cc2cccc(C(=O)[O-])c2)c2ccccc12	ZINC000005595525	170117853	/nfs/dbraw/zinc/11/78/53/170117853.db2.gz	ZTNADFLYUUCZIX-UHFFFAOYSA-N	-1	0	279.295	3.200	40	0		CGABRM
OCCSC(=S)[N-]c1ccc(Cl)c(Cl)c1	ZINC000006500199	170207765	/nfs/dbraw/zinc/20/77/65/170207765.db2.gz	ROMAARXNRNNPSD-UHFFFAOYSA-N	-1	0	282.217	3.416	40	0		CGABRM
CCCCC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1	ZINC000020136571	171024008	/nfs/dbraw/zinc/02/40/08/171024008.db2.gz	LSTORMWEWKLZHZ-UHFFFAOYSA-N	-1	0	255.701	3.167	40	0		CGABRM
O=C([O-])c1c[nH]nc1-c1ccc(Cl)c(Cl)c1	ZINC000020439747	171203881	/nfs/dbraw/zinc/20/38/81/171203881.db2.gz	GRRPHNILSGHFHG-UHFFFAOYSA-N	-1	0	257.076	3.082	40	0		CGABRM
Cc1cc2c(cc(C(=O)[O-])n2Cc2ccccc2)o1	ZINC000035530216	172243759	/nfs/dbraw/zinc/24/37/59/172243759.db2.gz	JDFJVVCQEISWCN-UHFFFAOYSA-N	-1	0	255.273	3.289	40	0		CGABRM
CC(=O)Nc1ccc(/C=C(\C(=O)[O-])c2ccccc2)cc1	ZINC000005726246	278187034	/nfs/dbraw/zinc/18/70/34/278187034.db2.gz	KQDLBAVQQGSCJF-WJDWOHSUSA-N	-1	0	281.311	3.270	40	0		CGABRM
Cn1c(C(=O)[O-])cc2ccc(OCc3ccccc3)cc21	ZINC000035259631	302894648	/nfs/dbraw/zinc/89/46/48/302894648.db2.gz	BRMXJWXVCTVWFA-UHFFFAOYSA-N	-1	0	281.311	3.456	40	0		CGABRM
COc1ccc(Cl)cc1C(=O)c1ccccc1C(=O)[O-]	ZINC000084701993	178916964	/nfs/dbraw/zinc/91/69/64/178916964.db2.gz	OFGDXYRZFLHGGB-UHFFFAOYSA-N	-1	0	290.702	3.278	40	0		CGABRM
Cc1ccccc1NC=C1SC([O-])=NC1=S	ZINC000618254887	349063636	/nfs/dbraw/zinc/06/36/36/349063636.db2.gz	IPQZXBGGIWLAJW-TWGQIWQCSA-N	-1	0	250.348	3.032	40	0		CGABRM
O=C([O-])/C=C/c1cccc(NC(=O)/C=C/c2ccccc2)c1	ZINC000109299465	186247513	/nfs/dbraw/zinc/24/75/13/186247513.db2.gz	CAAOCWKBHUMPHG-WGDLNXRISA-N	-1	0	293.322	3.436	40	0		CGABRM
O=S(=O)([O-])[C@H](Nc1ccc(Cl)cc1)c1ccccc1	ZINC000001559039	368417717	/nfs/dbraw/zinc/41/77/17/368417717.db2.gz	ZYPQCICJAQYAMI-ZDUSSCGKSA-N	-1	0	297.763	3.339	40	0		CGABRM
CCOC(=O)[C@@H](C(=O)[O-])C(c1ccccc1)c1ccccc1	ZINC000001709179	368434263	/nfs/dbraw/zinc/43/42/63/368434263.db2.gz	GIHSRIWHSQCPBX-MRXNPFEDSA-N	-1	0	298.338	3.082	40	0		CGABRM
O=C([O-])c1ccc(NC(=O)Nc2cccc(F)c2)cc1	ZINC000001738388	368436438	/nfs/dbraw/zinc/43/64/38/368436438.db2.gz	DAOFWZYJQFFNMZ-UHFFFAOYSA-N	-1	0	274.251	3.168	40	0		CGABRM
Cc1c2c(O)cc([O-])cc2oc(=O)c1-c1ccccc1	ZINC000002573898	368466349	/nfs/dbraw/zinc/46/63/49/368466349.db2.gz	ZKOFZYMXJHXIOK-UHFFFAOYSA-N	-1	0	268.268	3.180	40	0		CGABRM
COc1ccc(Cl)cc1Nc1ccc(C(=O)[O-])cc1N	ZINC000004638821	368553185	/nfs/dbraw/zinc/55/31/85/368553185.db2.gz	PNIVVVYSKSULPN-UHFFFAOYSA-N	-1	0	292.722	3.373	40	0		CGABRM
O=C([O-])CCc1nc(-c2ccccc2)n2ccccc12	ZINC000011569886	368592013	/nfs/dbraw/zinc/59/20/13/368592013.db2.gz	RFYPJVDXEXZDAU-UHFFFAOYSA-N	-1	0	266.300	3.019	40	0		CGABRM
COc1ccc(/C(=C\c2ccccc2)C(=O)[O-])cc1	ZINC000011803099	368596244	/nfs/dbraw/zinc/59/62/44/368596244.db2.gz	IXCMHNHRDGRKDS-RVDMUPIBSA-N	-1	0	254.285	3.320	40	0		CGABRM
C[C@]1(C(=O)[O-])CC12c1ccccc1-c1ccccc12	ZINC000017428876	368733455	/nfs/dbraw/zinc/73/34/55/368733455.db2.gz	PHQFNGVEURDSTJ-MRXNPFEDSA-N	-1	0	250.297	3.448	40	0		CGABRM
CC(=O)C(CC(=O)c1ccccc1)=C([O-])c1ccccc1	ZINC000036020407	369007170	/nfs/dbraw/zinc/00/71/70/369007170.db2.gz	ZBNHMYDPJOWABG-INIZCTEOSA-N	-1	0	280.323	3.348	40	0		CGABRM
Cc1ccc(C)c(Nc2ccc(C(=O)[O-])cc2N)c1	ZINC000037930460	369126377	/nfs/dbraw/zinc/12/63/77/369126377.db2.gz	LYERIBRKOOXDHZ-UHFFFAOYSA-N	-1	0	256.305	3.327	40	0		CGABRM
CC(C)(C)OC(=O)N[C@@H](CCC1CCCCC1)C(=O)[O-]	ZINC000148161922	371520769	/nfs/dbraw/zinc/52/07/69/371520769.db2.gz	CMORIBDLPGOGNO-LBPRGKRZSA-N	-1	0	285.384	3.325	40	0		CGABRM
Cc1nn(C(C)C)cc1NCc1ccccc1C(=O)[O-]	ZINC000256051617	190003907	/nfs/dbraw/zinc/00/39/07/190003907.db2.gz	JWTAGVJBBSPKDH-UHFFFAOYSA-N	-1	0	273.336	3.083	40	0		CGABRM
O=C([O-])[C@H](c1c[nH]c2ccc(F)cc21)C(F)(F)F	ZINC000206379940	376128762	/nfs/dbraw/zinc/12/87/62/376128762.db2.gz	ZZKCUADKNFAZKF-VIFPVBQESA-N	-1	0	261.174	3.038	40	0		CGABRM
CCCO[C@@H](Cc1ccc(C)c(Cl)c1)C(=O)[O-]	ZINC000225081356	376294887	/nfs/dbraw/zinc/29/48/87/376294887.db2.gz	DPWWAFXLVOEBSM-LBPRGKRZSA-N	-1	0	256.729	3.071	40	0		CGABRM
COc1cccc(C[C@H](Sc2ccccc2)C(=O)[O-])c1	ZINC000225100437	376295287	/nfs/dbraw/zinc/29/52/87/376295287.db2.gz	NFMJSJJMBHJJOF-HNNXBMFYSA-N	-1	0	288.368	3.483	40	0		CGABRM
O=C([O-])c1ccc(Cl)cc1Nc1ccc(O)cc1	ZINC000001702344	304244849	/nfs/dbraw/zinc/24/48/49/304244849.db2.gz	VQJVQQSIWZBRKF-UHFFFAOYSA-N	-1	0	263.680	3.487	40	0		CGABRM
O=C([O-])c1ccc2[nH]c(-c3ccccc3F)nc2c1	ZINC000016159048	304254573	/nfs/dbraw/zinc/25/45/73/304254573.db2.gz	RYTPCVUDWQJAJZ-UHFFFAOYSA-N	-1	0	256.236	3.067	40	0		CGABRM
O=C([O-])c1ccc2[nH]c(-c3c[nH]c4ccccc43)nc2c1	ZINC000021005072	304254707	/nfs/dbraw/zinc/25/47/07/304254707.db2.gz	YBBSWIHUAYSHIJ-UHFFFAOYSA-N	-1	0	277.283	3.409	40	0		CGABRM
O=C([O-])c1cnc2cc(Cl)ccc2c1Br	ZINC000085386668	304279219	/nfs/dbraw/zinc/27/92/19/304279219.db2.gz	WSOOOOQERPPPGL-UHFFFAOYSA-N	-1	0	286.512	3.349	40	0		CGABRM
O=C([O-])c1ccccc1C(=O)O[C@H]1CCc2ccccc2C1	ZINC000001597591	169722399	/nfs/dbraw/zinc/72/23/99/169722399.db2.gz	YXWOAAJGTWBKTO-AWEZNQCLSA-N	-1	0	296.322	3.099	40	0		CGABRM
CC(=O)Nc1ccc(-c2ccc(C(=O)[O-])o2)c(Cl)c1	ZINC000226351643	130825337	/nfs/dbraw/zinc/82/53/37/130825337.db2.gz	XDIDRZFNQWFYEN-UHFFFAOYSA-N	-1	0	279.679	3.257	40	0		CGABRM
O=C([O-])c1ccc(Cc2ccc(Br)cc2)o1	ZINC000084197731	392223932	/nfs/dbraw/zinc/22/39/32/392223932.db2.gz	ZHLZQCVYMAITNN-UHFFFAOYSA-N	-1	0	281.105	3.331	40	0		CGABRM
CC(C)(C)c1ccc(C2(C(=O)[O-])CCC(=O)CC2)cc1	ZINC000090685323	392229317	/nfs/dbraw/zinc/22/93/17/392229317.db2.gz	BQJZGJGSHIBIEP-UHFFFAOYSA-N	-1	0	274.360	3.450	40	0		CGABRM
O=C([O-])c1ccc(CNc2cccc(Br)c2)o1	ZINC000008702198	170347166	/nfs/dbraw/zinc/34/71/66/170347166.db2.gz	WOXCERGVCDGQAI-UHFFFAOYSA-N	-1	0	296.120	3.352	40	0		CGABRM
CC[C@@H](Nc1ccc(C)cc1Br)C(=O)[O-]	ZINC000008702775	170347641	/nfs/dbraw/zinc/34/76/41/170347641.db2.gz	OOCPHFPVDCETLS-SECBINFHSA-N	-1	0	272.142	3.033	40	0		CGABRM
CCC[C@H](Sc1ccccc1NC(=O)CC)C(=O)[O-]	ZINC000008732813	170351661	/nfs/dbraw/zinc/35/16/61/170351661.db2.gz	QQHYXLYZIJFOFA-LBPRGKRZSA-N	-1	0	281.377	3.381	40	0		CGABRM
O=c1nc(CNc2ccc3c(c2)CCC3)[n-]c2ccsc21	ZINC000009548941	170381281	/nfs/dbraw/zinc/38/12/81/170381281.db2.gz	NEPOFYUUEJUXQG-UHFFFAOYSA-N	-1	0	297.383	3.085	40	0		CGABRM
CCc1cc(=O)n2[n-]c(C)c(-c3ccc(F)cc3)c2n1	ZINC000012115635	170469306	/nfs/dbraw/zinc/46/93/06/170469306.db2.gz	AEVRFVIXFSFAJQ-UHFFFAOYSA-N	-1	0	271.295	3.112	40	0		CGABRM
COc1c(C)cccc1C(=O)Nc1cc(C(=O)[O-])ccc1C	ZINC000020143013	171029098	/nfs/dbraw/zinc/02/90/98/171029098.db2.gz	KDBVJUPZUXYWGG-UHFFFAOYSA-N	-1	0	299.326	3.263	40	0		CGABRM
COc1ccc(-c2nc3cc(C(=O)[O-])ccc3o2)cc1OC	ZINC000020222867	171084973	/nfs/dbraw/zinc/08/49/73/171084973.db2.gz	RMWYFOAAGUCKKT-UHFFFAOYSA-N	-1	0	299.282	3.210	40	0		CGABRM
Cc1ccc(C(=O)CCNc2ccc(C(=O)[O-])cc2)cc1	ZINC000055174982	175573432	/nfs/dbraw/zinc/57/34/32/175573432.db2.gz	KDQHENUJZGQQOU-UHFFFAOYSA-N	-1	0	283.327	3.378	40	0		CGABRM
CCCCn1c(C(C)=O)cc(C(=O)[O-])c1CCC	ZINC000078404584	177338358	/nfs/dbraw/zinc/33/83/58/177338358.db2.gz	OJSNKMLSHSXEPJ-UHFFFAOYSA-N	-1	0	251.326	3.142	40	0		CGABRM
CCOc1nc2c(cccc2C(F)(F)F)cc1C(=O)[O-]	ZINC000685936878	544109123	/nfs/dbraw/zinc/10/91/23/544109123.db2.gz	DNRFZQMFQPRZRK-UHFFFAOYSA-N	-1	0	285.221	3.351	40	0		CGABRM
O=C([O-])C1(c2ccccc2)CC(OCc2ccccc2)C1	ZINC000685937341	544109335	/nfs/dbraw/zinc/10/93/35/544109335.db2.gz	HEVGVUVITOLTIZ-UHFFFAOYSA-N	-1	0	282.339	3.388	40	0		CGABRM
CCOc1nc2cccc(Br)c2cc1C(=O)[O-]	ZINC000685937724	544110413	/nfs/dbraw/zinc/11/04/13/544110413.db2.gz	YFYZNRWRZYIABJ-UHFFFAOYSA-N	-1	0	296.120	3.094	40	0		CGABRM
CC(C)(CNc1ccc(Br)cc1F)C(=O)[O-]	ZINC000008730706	278622664	/nfs/dbraw/zinc/62/26/64/278622664.db2.gz	ZTTLPUZMPWUSPD-UHFFFAOYSA-N	-1	0	290.132	3.111	40	0		CGABRM
C[C@H]1CCC[C@H]([C@](O)(C(=O)[O-])C2CCCCC2)C1	ZINC000005047850	299901304	/nfs/dbraw/zinc/90/13/04/299901304.db2.gz	MBMAQAGQHBXDMT-WHOFXGATSA-N	-1	0	254.370	3.209	40	0		CGABRM
Cc1cc(C)c2c(c1)CN(c1ccc(C(=O)[O-])cc1)CO2	ZINC000001569510	301207939	/nfs/dbraw/zinc/20/79/39/301207939.db2.gz	WQVWQDVTNDUVJU-UHFFFAOYSA-N	-1	0	283.327	3.358	40	0		CGABRM
Cc1ccc2c(CC(=O)[O-])c(Br)oc2c1C	ZINC000004228015	301874022	/nfs/dbraw/zinc/87/40/22/301874022.db2.gz	GJBPGZZBWLELKU-UHFFFAOYSA-N	-1	0	283.121	3.439	40	0		CGABRM
Cc1ccsc1-c1nc2cc(C(=O)[O-])ccc2[nH]1	ZINC000033559681	302299124	/nfs/dbraw/zinc/29/91/24/302299124.db2.gz	UIORUKYOADZTJW-UHFFFAOYSA-N	-1	0	258.302	3.298	40	0		CGABRM
CC[C@@H](Cc1ccccc1OC(F)(F)F)C(=O)[O-]	ZINC000062711283	522637478	/nfs/dbraw/zinc/63/74/78/522637478.db2.gz	NDIGYJBKBDOGHN-QMMMGPOBSA-N	-1	0	262.227	3.239	40	0		CGABRM
O=C([O-])c1ccc(NC(=O)c2ccc(Cl)s2)cc1F	ZINC000224822673	602352844	/nfs/dbraw/zinc/35/28/44/602352844.db2.gz	AIQZHWGAVCMEJX-UHFFFAOYSA-N	-1	0	299.710	3.491	40	0		CGABRM
Cc1ccc(-c2nc(C(=O)[O-])nn2-c2ccc(F)cc2)cc1	ZINC000008730838	344874792	/nfs/dbraw/zinc/87/47/92/344874792.db2.gz	VSVQLBNFNIDSOT-UHFFFAOYSA-N	-1	0	297.289	3.080	40	0		CGABRM
CC(C)(C)C(=O)Oc1ccc(C(C)(C)CC(=O)[O-])cc1	ZINC000085398498	179050491	/nfs/dbraw/zinc/05/04/91/179050491.db2.gz	SHYVQSNYJFQUQY-UHFFFAOYSA-N	-1	0	278.348	3.390	40	0		CGABRM
O=C([O-])/C=C\c1ccc(Br)cc1Cl	ZINC000095935256	304024296	/nfs/dbraw/zinc/02/42/96/304024296.db2.gz	IQASDWBWCLYMJB-RQOWECAXSA-N	-1	0	261.502	3.200	40	0		CGABRM
O=C([O-])Cc1sc(N2CCCC2)nc1-c1ccccc1	ZINC000007016395	304090600	/nfs/dbraw/zinc/09/06/00/304090600.db2.gz	CNBPVYYDIJDYPA-UHFFFAOYSA-N	-1	0	288.372	3.037	40	0		CGABRM
O=C([O-])c1conc1-c1ccc(Cl)cc1Cl	ZINC000203940077	189684390	/nfs/dbraw/zinc/68/43/90/189684390.db2.gz	JJMNSCDKNQQLIK-UHFFFAOYSA-N	-1	0	258.060	3.347	40	0		CGABRM
Cc1ccc(C[C@@H](OCC(C)C)C(=O)[O-])cc1Cl	ZINC000225081632	189744242	/nfs/dbraw/zinc/74/42/42/189744242.db2.gz	FNIOGDJUWYNAKY-CYBMUJFWSA-N	-1	0	270.756	3.317	40	0		CGABRM
CC[C@](O)(Cc1ccccc1)[C@H](C(=O)[O-])c1ccccc1	ZINC000001622376	368425309	/nfs/dbraw/zinc/42/53/09/368425309.db2.gz	UTGZKPJELAPNMP-WMZOPIPTSA-N	-1	0	284.355	3.239	40	0		CGABRM
C[C@H]1Cc2cc(CNc3cccc(C(=O)[O-])c3)ccc2O1	ZINC000010299678	368579762	/nfs/dbraw/zinc/57/97/62/368579762.db2.gz	IFWNVBXWLHNNDO-NSHDSACASA-N	-1	0	283.327	3.320	40	0		CGABRM
CCCCn1nc2nc(SCC(=O)[O-])cc(C)c2c1C	ZINC000012398882	368611990	/nfs/dbraw/zinc/61/19/90/368611990.db2.gz	RLBNDCAZPQAUQU-UHFFFAOYSA-N	-1	0	293.392	3.025	40	0		CGABRM
Cc1cccc(NC(=O)COc2cccc(C(=O)[O-])c2)c1C	ZINC000013079946	368642027	/nfs/dbraw/zinc/64/20/27/368642027.db2.gz	CMAIIGPBOUNACG-UHFFFAOYSA-N	-1	0	299.326	3.019	40	0		CGABRM
CC(=O)c1c([O-])cc(C)n(-c2cccc(Cl)c2C)c1=O	ZINC000016769453	368720802	/nfs/dbraw/zinc/72/08/02/368720802.db2.gz	OKLBSZAJXFBQTF-UHFFFAOYSA-N	-1	0	291.734	3.016	40	0		CGABRM
O=C([O-])CC[C@H](c1ccccc1)C1SCCS1	ZINC000016917490	368722746	/nfs/dbraw/zinc/72/27/46/368722746.db2.gz	IPXGYDCDQWLHCQ-LLVKDONJSA-N	-1	0	268.403	3.441	40	0		CGABRM
O=C([O-])CCc1ccc(OCc2cccc(F)c2)cc1	ZINC000034457058	368974286	/nfs/dbraw/zinc/97/42/86/368974286.db2.gz	JZPWZCKLKHJCHS-UHFFFAOYSA-N	-1	0	274.291	3.422	40	0		CGABRM
CC(C)Cn1c(CCC(=O)[O-])nc2cc(Cl)ccc21	ZINC000064874419	369661135	/nfs/dbraw/zinc/66/11/35/369661135.db2.gz	JZKIUCKDQQRABK-UHFFFAOYSA-N	-1	0	280.755	3.363	40	0		CGABRM
Cc1ccc2c(CC(=O)[O-])c(Br)oc2c1F	ZINC000085399647	370017420	/nfs/dbraw/zinc/01/74/20/370017420.db2.gz	QLQCWLNSKUCDKJ-UHFFFAOYSA-N	-1	0	287.084	3.270	40	0		CGABRM
Cc1ccc2[nH]cc([C@H](C(=O)[O-])C(F)(F)F)c2c1	ZINC000098213595	370269078	/nfs/dbraw/zinc/26/90/78/370269078.db2.gz	LKHIMJBMQONIHF-SNVBAGLBSA-N	-1	0	257.211	3.207	40	0		CGABRM
CC[C@@H](C)N(C(=O)[C@H]1CCCC[C@@H]1C(=O)[O-])[C@@H](C)CC	ZINC000102591141	370306702	/nfs/dbraw/zinc/30/67/02/370306702.db2.gz	KQIXAYGARCDYHC-CRWXNKLISA-N	-1	0	283.412	3.303	40	0		CGABRM
C[C@@H](Sc1ccccc1NC(=O)C1CCCC1)C(=O)[O-]	ZINC000008732952	296213239	/nfs/dbraw/zinc/21/32/39/296213239.db2.gz	KWMSEKZKWXREGS-SNVBAGLBSA-N	-1	0	293.388	3.381	40	0		CGABRM
CCCCOc1ccc(CC(=O)[O-])cc1Br	ZINC000504736074	375656042	/nfs/dbraw/zinc/65/60/42/375656042.db2.gz	OTPJLWRFALCRKE-UHFFFAOYSA-N	-1	0	287.153	3.255	40	0		CGABRM
O=C([O-])c1ccc(OCc2c(F)cccc2Cl)cc1O	ZINC000216933255	376170095	/nfs/dbraw/zinc/17/00/95/376170095.db2.gz	IAWHTOQCIILZMS-UHFFFAOYSA-N	-1	0	296.681	3.462	40	0		CGABRM
Cc1nc(COc2ccccc2C(C)C)ncc1C(=O)[O-]	ZINC000217399977	376174268	/nfs/dbraw/zinc/17/42/68/376174268.db2.gz	NOKRCUMFSWZRCH-UHFFFAOYSA-N	-1	0	286.331	3.186	40	0		CGABRM
COc1cccc(C(=O)Nc2cccc(/C=C/C(=O)[O-])c2)c1	ZINC000226322572	376352268	/nfs/dbraw/zinc/35/22/68/376352268.db2.gz	VWICNRVTZHWYQQ-CMDGGOBGSA-N	-1	0	297.310	3.045	40	0		CGABRM
COc1ccc(O[C@H](Cc2ccccc2C)C(=O)[O-])cc1	ZINC000225015921	376291767	/nfs/dbraw/zinc/29/17/67/376291767.db2.gz	LIZKJSMVIFBINI-MRXNPFEDSA-N	-1	0	286.327	3.078	40	0		CGABRM
CCc1ccccc1C[C@@H](Oc1ccccc1)C(=O)[O-]	ZINC000225039168	376293141	/nfs/dbraw/zinc/29/31/41/376293141.db2.gz	MOMPVKFBZRYNEU-MRXNPFEDSA-N	-1	0	270.328	3.324	40	0		CGABRM
CCCO[C@H](Cc1ccc(Cl)cc1C)C(=O)[O-]	ZINC000225075944	376295543	/nfs/dbraw/zinc/29/55/43/376295543.db2.gz	YHVCKEBRZBIIDD-GFCCVEGCSA-N	-1	0	256.729	3.071	40	0		CGABRM
Cc1ccc([N-]S(=O)(=O)c2ccc(F)s2)c(C)c1	ZINC000225387287	376306289	/nfs/dbraw/zinc/30/62/89/376306289.db2.gz	FBAYNXRAFIMTNM-UHFFFAOYSA-N	-1	0	285.365	3.305	40	0		CGABRM
O=C([O-])[C@H]1Cc2c3ccccc3n(-c3ccccc3)c2C1	ZINC000217911427	304206021	/nfs/dbraw/zinc/20/60/21/304206021.db2.gz	STRWWAFTKVVSDH-LBPRGKRZSA-N	-1	0	277.323	3.430	40	0		CGABRM
O=C([O-])CO[C@@H](c1cccc(Cl)c1)C(F)(F)F	ZINC000095096423	184943775	/nfs/dbraw/zinc/94/37/75/184943775.db2.gz	MZMSXINXDHRUHC-VIFPVBQESA-N	-1	0	268.618	3.045	40	0		CGABRM
O=C([O-])CCc1ccc(-c2c(F)cccc2F)o1	ZINC000070453003	392184137	/nfs/dbraw/zinc/18/41/37/392184137.db2.gz	QTPLZLHLWHSGCJ-UHFFFAOYSA-N	-1	0	252.216	3.242	40	0		CGABRM
CC(C)n1c2ccccc2nc1S[C@H](C)C(=O)[O-]	ZINC000008701347	397603672	/nfs/dbraw/zinc/60/36/72/397603672.db2.gz	NHMUHBOHWYEJHJ-SECBINFHSA-N	-1	0	264.350	3.182	40	0		CGABRM
O=C([O-])c1cnc(/C=C/c2nc3c(s2)CCCC3)s1	ZINC000678941421	543575268	/nfs/dbraw/zinc/57/52/68/543575268.db2.gz	OEJCVEKKOQVDBK-AATRIKPKSA-N	-1	0	292.385	3.347	40	0		CGABRM
CCC(C)(C)C(=O)Nc1ccccc1SCC(=O)[O-]	ZINC000008732914	170351479	/nfs/dbraw/zinc/35/14/79/170351479.db2.gz	PODAYAZRAGSRRV-UHFFFAOYSA-N	-1	0	281.377	3.238	40	0		CGABRM
C[C@H](Sc1ccccc1NC(=O)C(C)(C)C)C(=O)[O-]	ZINC000008732843	170351492	/nfs/dbraw/zinc/35/14/92/170351492.db2.gz	LEMZENBOECCHHZ-VIFPVBQESA-N	-1	0	281.377	3.236	40	0		CGABRM
Cc1ccc2[nH]c(SCc3ccc(C(=O)[O-])o3)nc2c1	ZINC000011851397	170448059	/nfs/dbraw/zinc/44/80/59/170448059.db2.gz	OBSKTLBJAUYMAX-UHFFFAOYSA-N	-1	0	288.328	3.455	40	0		CGABRM
CSc1cccc(Nc2ncccc2C(=O)[O-])c1	ZINC000013090349	170530870	/nfs/dbraw/zinc/53/08/70/170530870.db2.gz	XSJKCCUASQVUSD-UHFFFAOYSA-N	-1	0	260.318	3.245	40	0		CGABRM
COc1cc(/C(C)=C/[C@@H](C)CCCC(=O)[O-])oc(=O)c1C	ZINC000036374894	172626680	/nfs/dbraw/zinc/62/66/80/172626680.db2.gz	HXLDSEPZKLJMIQ-NGPGYTDTSA-N	-1	0	294.347	3.251	40	0	biogenic,in-vitro	CGABRM
C[C@@]1(C(=O)[O-])CC(c2cccc(Oc3ccccc3)c2)=NO1	ZINC000071981011	176307600	/nfs/dbraw/zinc/30/76/00/176307600.db2.gz	BISGEUABHRFQSL-KRWDZBQOSA-N	-1	0	297.310	3.447	40	0		CGABRM
COc1ccc2cc(CC(=O)[O-])ccc2c1Cl	ZINC000072226997	176343372	/nfs/dbraw/zinc/34/33/72/176343372.db2.gz	FBCFYHRCYHMJSP-UHFFFAOYSA-N	-1	0	250.681	3.129	40	0		CGABRM
COc1ccc(Nc2nc(C(C)(C)C(=O)[O-])cs2)cc1	ZINC000078404225	177338363	/nfs/dbraw/zinc/33/83/63/177338363.db2.gz	MQYXMMUXOHQUMW-UHFFFAOYSA-N	-1	0	292.360	3.258	40	0		CGABRM
O=C([O-])c1cccc(OCc2nnc(-c3ccccc3)o2)c1	ZINC000008731391	344875174	/nfs/dbraw/zinc/87/51/74/344875174.db2.gz	WTTIQPFLERAADV-UHFFFAOYSA-N	-1	0	296.282	3.014	40	0		CGABRM
CC(C)(C)OC(=O)NCC(C)(C)CC(C)(C)CC(=O)[O-]	ZINC000256051639	346399694	/nfs/dbraw/zinc/39/96/94/346399694.db2.gz	JZHFBBRBHDGFFB-UHFFFAOYSA-N	-1	0	287.400	3.428	40	0		CGABRM
Cc1ccc(NC=C2SC([O-])=NC2=S)cc1	ZINC000618254737	349063389	/nfs/dbraw/zinc/06/33/89/349063389.db2.gz	HLRNVQPUWNVJFN-TWGQIWQCSA-N	-1	0	250.348	3.032	40	0		CGABRM
Cc1cc(Br)cc(C(=O)[O-])c1OCC(C)C	ZINC000165609237	188632883	/nfs/dbraw/zinc/63/28/83/188632883.db2.gz	FHBTWJLUFLYPEC-UHFFFAOYSA-N	-1	0	287.153	3.491	40	0		CGABRM
O=C([O-])CC1(c2ccc(Br)cc2)CCC1	ZINC000098213888	304044154	/nfs/dbraw/zinc/04/41/54/304044154.db2.gz	LRDSWKXCOSCJFV-UHFFFAOYSA-N	-1	0	269.138	3.346	40	0		CGABRM
CCCO[C@H](Cc1cccc(Cl)c1Cl)C(=O)[O-]	ZINC000225084272	189744057	/nfs/dbraw/zinc/74/40/57/189744057.db2.gz	MOHVDAOMANRFQE-SNVBAGLBSA-N	-1	0	277.147	3.416	40	0		CGABRM
COc1ccc(/C=C(/C(=O)[O-])c2ccc(OC)cc2)cc1	ZINC000001627386	368425351	/nfs/dbraw/zinc/42/53/51/368425351.db2.gz	DUVDSIWOHRUZCS-LFIBNONCSA-N	-1	0	284.311	3.329	40	0		CGABRM
CC(=O)Oc1ccc(C[C@@H](C(=O)[O-])c2ccccc2)cc1	ZINC000001700401	368432832	/nfs/dbraw/zinc/43/28/32/368432832.db2.gz	FNMGETNXLXZQAJ-MRXNPFEDSA-N	-1	0	284.311	3.023	40	0		CGABRM
O=C([O-])CCCc1c[nH]c2ccc(Br)cc12	ZINC000002555651	368463422	/nfs/dbraw/zinc/46/34/22/368463422.db2.gz	JXXIGLYAOIPPCH-UHFFFAOYSA-N	-1	0	282.137	3.338	40	0		CGABRM
CCc1[n-]n2c(nc(C)c(C)c2=O)c1-c1ccc(OC)cc1	ZINC000012115663	368604245	/nfs/dbraw/zinc/60/42/45/368604245.db2.gz	ILXIINYIYKTVHI-UHFFFAOYSA-N	-1	0	297.358	3.290	40	0		CGABRM
CC(C)c1ccc(C(=O)NCc2ccc(C(=O)[O-])cc2)cc1	ZINC000013091830	368642590	/nfs/dbraw/zinc/64/25/90/368642590.db2.gz	GXFOYDSXORBUHG-UHFFFAOYSA-N	-1	0	297.354	3.438	40	0		CGABRM
O=C([O-])c1ccc(Cl)c(NC(=O)c2ccc(F)cc2)c1	ZINC000013167547	368646537	/nfs/dbraw/zinc/64/65/37/368646537.db2.gz	LDCULKRYFIKJLT-UHFFFAOYSA-N	-1	0	293.681	3.430	40	0		CGABRM
O=C([O-])/C=C\c1ccc(OC(=O)c2ccccc2)cc1	ZINC000016892008	368722803	/nfs/dbraw/zinc/72/28/03/368722803.db2.gz	KOKUTEOWSHGSAQ-FLIBITNWSA-N	-1	0	268.268	3.004	40	0		CGABRM
COc1ccc(C(=O)[O-])cc1COc1ccccc1C	ZINC000024548539	368832198	/nfs/dbraw/zinc/83/21/98/368832198.db2.gz	MWCBXOORYHWCTJ-UHFFFAOYSA-N	-1	0	272.300	3.281	40	0		CGABRM
Nc1ccc(Nc2ccc(Cl)cc2)c(C(=O)[O-])c1	ZINC000037930498	369126527	/nfs/dbraw/zinc/12/65/27/369126527.db2.gz	WWXCFQWYHPAKTK-UHFFFAOYSA-N	-1	0	262.696	3.364	40	0		CGABRM
Cc1ccc(-c2ncc(C(=O)[O-])c(NC(C)C)n2)cc1C	ZINC000049469469	369403528	/nfs/dbraw/zinc/40/35/28/369403528.db2.gz	RMNJWAIUTFAVNL-UHFFFAOYSA-N	-1	0	285.347	3.279	40	0		CGABRM
Cc1c(C(=O)[O-])c2ccccc2n1Cc1cccnc1	ZINC000216947462	376170081	/nfs/dbraw/zinc/17/00/81/376170081.db2.gz	ROXRFUQDGADEGU-UHFFFAOYSA-N	-1	0	266.300	3.091	40	0		CGABRM
Cc1c(C(=O)[O-])c2ccccc2n1C(=O)C(C)(C)C	ZINC000216949423	376170294	/nfs/dbraw/zinc/17/02/94/376170294.db2.gz	QFKYOUIRGCWZFR-UHFFFAOYSA-N	-1	0	259.305	3.334	40	0		CGABRM
Cc1ccccc1O[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000225013087	376291669	/nfs/dbraw/zinc/29/16/69/376291669.db2.gz	OWDMEIGMPQURSZ-HNNXBMFYSA-N	-1	0	256.301	3.070	40	0		CGABRM
Cc1ccccc1C[C@@H](Oc1ccccc1C)C(=O)[O-]	ZINC000225014639	376291686	/nfs/dbraw/zinc/29/16/86/376291686.db2.gz	HEHVMXVHJJSVRG-MRXNPFEDSA-N	-1	0	270.328	3.378	40	0		CGABRM
Cc1ccccc1C[C@H](OCc1ccccc1)C(=O)[O-]	ZINC000225016915	376292109	/nfs/dbraw/zinc/29/21/09/376292109.db2.gz	QSIRXVWTUACVBY-INIZCTEOSA-N	-1	0	270.328	3.208	40	0		CGABRM
CC[C@H](C(=O)[O-])N(CC)c1cc(Cl)ccc1C	ZINC000224992636	376292243	/nfs/dbraw/zinc/29/22/43/376292243.db2.gz	FXBZYJPCGAYRLK-LLVKDONJSA-N	-1	0	255.745	3.338	40	0		CGABRM
CC(C)CO[C@@H](Cc1ccc(Cl)cc1)C(=O)[O-]	ZINC000225062354	376293152	/nfs/dbraw/zinc/29/31/52/376293152.db2.gz	QEBCBDWQFAJCQR-LBPRGKRZSA-N	-1	0	256.729	3.008	40	0		CGABRM
O=C([O-])c1c(Cl)cc(C(F)(F)F)c(F)c1F	ZINC000002509673	304217043	/nfs/dbraw/zinc/21/70/43/304217043.db2.gz	UMUGCLQBFVVUPY-UHFFFAOYSA-N	-1	0	260.545	3.335	40	0		CGABRM
O=C([O-])c1cc(Cl)nc2c(Cl)ccc(F)c12	ZINC000218689659	304224559	/nfs/dbraw/zinc/22/45/59/304224559.db2.gz	NYNVOUHBHVQQMD-UHFFFAOYSA-N	-1	0	260.051	3.379	40	0		CGABRM
CC[C@@H](C(=O)[O-])N(CC)c1cc(Cl)ccc1OC	ZINC000225002274	286746862	/nfs/dbraw/zinc/74/68/62/286746862.db2.gz	MXXBHUGZWXYHSW-JTQLQIEISA-N	-1	0	271.744	3.038	40	0		CGABRM
CC[C@@H](C)N(C(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-])[C@H](C)CC	ZINC000006830028	170247514	/nfs/dbraw/zinc/24/75/14/170247514.db2.gz	KQIXAYGARCDYHC-SYQHCUMBSA-N	-1	0	283.412	3.303	40	0		CGABRM
CSc1ccccc1NCc1ccc(C(=O)[O-])o1	ZINC000008702212	170347030	/nfs/dbraw/zinc/34/70/30/170347030.db2.gz	VUVAUDPNFRURLL-UHFFFAOYSA-N	-1	0	263.318	3.312	40	0		CGABRM
O=C([O-])c1cnc(-c2ccc(Cl)c(Cl)c2)nc1	ZINC000008730996	170351250	/nfs/dbraw/zinc/35/12/50/170351250.db2.gz	SDQBQWRTHSTXSE-UHFFFAOYSA-N	-1	0	269.087	3.149	40	0		CGABRM
O=C(Nc1ccccc1O)n1[n-]c(-c2ccccc2)cc1=O	ZINC000009926851	170391124	/nfs/dbraw/zinc/39/11/24/170391124.db2.gz	UPQXWHBQTRCUBK-UHFFFAOYSA-N	-1	0	295.298	3.042	40	0		CGABRM
CSc1ccc(C(=O)C[C@@H](C)CC(=O)[O-])cc1	ZINC000015441766	170666596	/nfs/dbraw/zinc/66/65/96/170666596.db2.gz	LXLYZUSDVYWANU-SECBINFHSA-N	-1	0	252.335	3.092	40	0		CGABRM
Cc1cc(C(=O)[O-])ccc1NC(=O)C(Cl)(Cl)Cl	ZINC000020136940	171024720	/nfs/dbraw/zinc/02/47/20/171024720.db2.gz	VKFZZYIJMGLWBL-UHFFFAOYSA-N	-1	0	296.537	3.002	40	0		CGABRM
Cc1cccc(NC(=O)Nc2ccc(CC(=O)[O-])cc2)c1	ZINC000022169334	171367304	/nfs/dbraw/zinc/36/73/04/171367304.db2.gz	IJNYWHNFCPLGRR-UHFFFAOYSA-N	-1	0	284.315	3.266	40	0		CGABRM
O=C(NC(=S)Nc1ccccc1[S-])c1cccs1	ZINC000039763437	174172204	/nfs/dbraw/zinc/17/22/04/174172204.db2.gz	KEHBXQVIDZDKTK-UHFFFAOYSA-N	-1	0	294.426	3.164	40	0		CGABRM
CCCN(CC(=O)[O-])c1cccc(C(F)(F)F)c1	ZINC000076671825	177054245	/nfs/dbraw/zinc/05/42/45/177054245.db2.gz	ZMSOPBAQTORUAQ-UHFFFAOYSA-N	-1	0	261.243	3.006	40	0		CGABRM
CC(=O)Oc1cc([O-])cc2oc(-c3ccccc3)cc(=O)c12	ZINC000077031639	177156107	/nfs/dbraw/zinc/15/61/07/177156107.db2.gz	ZCEVJMPLRAGWNX-UHFFFAOYSA-N	-1	0	296.278	3.091	40	0	biogenic	CGABRM
O=C([O-])c1c(OC2CC2)cnc2ccc(Cl)cc21	ZINC000685936849	544109343	/nfs/dbraw/zinc/10/93/43/544109343.db2.gz	CKCJMTRHHDJFIP-UHFFFAOYSA-N	-1	0	263.680	3.128	40	0		CGABRM
O=C([O-])c1c(OC2CC2)cnc2cccc(Cl)c21	ZINC000685937575	544110135	/nfs/dbraw/zinc/11/01/35/544110135.db2.gz	RZEOGRXVXKESAR-UHFFFAOYSA-N	-1	0	263.680	3.128	40	0		CGABRM
CC(=O)Nc1ccc(-c2ccc(C(=O)[O-])cc2)cc1	ZINC000016947096	278187149	/nfs/dbraw/zinc/18/71/49/278187149.db2.gz	IOCAVWKNFACNHH-UHFFFAOYSA-N	-1	0	255.273	3.010	40	0		CGABRM
CC(C)(C)OC(=O)N1CCC[C@H]1c1ccccc1C(=O)[O-]	ZINC000026896640	278395673	/nfs/dbraw/zinc/39/56/73/278395673.db2.gz	NFDIHMAYENRHFG-ZDUSSCGKSA-N	-1	0	291.347	3.457	40	0		CGABRM
Cc1cc(C)c(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])c(C)c1	ZINC000004795505	301189663	/nfs/dbraw/zinc/18/96/63/301189663.db2.gz	YZPOFGUAYMVABJ-BARDWOONSA-N	-1	0	299.370	3.073	40	0		CGABRM
Cc1ccc(C(=O)[O-])n1-c1nc2ccccc2s1	ZINC000223747847	301535650	/nfs/dbraw/zinc/53/56/50/301535650.db2.gz	PBLXTDTVEFZWTO-UHFFFAOYSA-N	-1	0	258.302	3.094	40	0		CGABRM
CCCN(c1cc(Cl)ccc1OC)[C@H](CC)C(=O)[O-]	ZINC000260677647	328007039	/nfs/dbraw/zinc/00/70/39/328007039.db2.gz	JQODTXKMZLIJKD-LLVKDONJSA-N	-1	0	285.771	3.428	40	0		CGABRM
Cc1cccc2c([C@H](C(=O)[O-])C(F)(F)F)c[nH]c21	ZINC000255190777	570323212	/nfs/dbraw/zinc/32/32/12/570323212.db2.gz	ZJCXVAQFBOIWEI-SECBINFHSA-N	-1	0	257.211	3.207	40	0		CGABRM
O=c1cc([O-])c2c(Br)ccc(Cl)c2[nH]1	ZINC000606296616	348173652	/nfs/dbraw/zinc/17/36/52/348173652.db2.gz	BVGZTVLGRFQCOB-UHFFFAOYSA-N	-1	0	274.501	3.062	40	0		CGABRM
CCCN(c1cc(Cl)ccc1OC)[C@@H](CC)C(=O)[O-]	ZINC000225002478	283308422	/nfs/dbraw/zinc/30/84/22/283308422.db2.gz	JQODTXKMZLIJKD-NSHDSACASA-N	-1	0	285.771	3.428	40	0		CGABRM
Cc1ccccc1O[C@H](Cc1ccc(F)cc1)C(=O)[O-]	ZINC000225053235	189743781	/nfs/dbraw/zinc/74/37/81/189743781.db2.gz	BCVPYKNCHCDNNE-OAHLLOKOSA-N	-1	0	274.291	3.209	40	0		CGABRM
COc1cc(/C=C/C(=O)[O-])ccc1OCCC(C)C	ZINC000000151163	368304273	/nfs/dbraw/zinc/30/42/73/368304273.db2.gz	HRLHBDYRVNZJMD-FNORWQNLSA-N	-1	0	264.321	3.218	40	0		CGABRM
CC[C@H](C(=O)[O-])[C@@H](C)CC(=O)Nc1ccccc1Cl	ZINC000000267180	368328231	/nfs/dbraw/zinc/32/82/31/368328231.db2.gz	JWHKFEZKCQDMDJ-UWVGGRQHSA-N	-1	0	283.755	3.416	40	0		CGABRM
O=C(Nc1o[n-]c(=O)c1C1CCCCC1)c1ccccc1	ZINC000001682178	368431499	/nfs/dbraw/zinc/43/14/99/368431499.db2.gz	HAWGSKVFCBKSOR-UHFFFAOYSA-N	-1	0	286.331	3.268	40	0		CGABRM
COC(=O)C=C([O-])c1ccccc1-c1ccccc1	ZINC000002575898	368466750	/nfs/dbraw/zinc/46/67/50/368466750.db2.gz	HLMGQPAPKQKGIT-UHFFFAOYSA-N	-1	0	254.285	3.099	40	0		CGABRM
CCCC(O)(CCC)[C@]1(C)CC[C@@H](C(=O)[O-])C(C)(C)O1	ZINC000003845865	368520715	/nfs/dbraw/zinc/52/07/15/368520715.db2.gz	LMBCHCOQJPCSGJ-WFASDCNBSA-N	-1	0	286.412	3.366	40	0		CGABRM
Cc1ccc(OCC(=O)Nc2cc(C(=O)[O-])ccc2C)cc1	ZINC000013169917	368646201	/nfs/dbraw/zinc/64/62/01/368646201.db2.gz	HXBUUDNQEDFCAH-UHFFFAOYSA-N	-1	0	299.326	3.019	40	0		CGABRM
Cc1cc(O)cc(Oc2cc(C)c(C(=O)[O-])c(O)c2)c1	ZINC000014455261	368681701	/nfs/dbraw/zinc/68/17/01/368681701.db2.gz	ZJEIMBOWRAUNAN-UHFFFAOYSA-N	-1	0	274.272	3.205	40	0	biogenic,in-vitro	CGABRM
CCn1c(C)c(C(=O)[O-])cc1-c1ccc(OC)cc1	ZINC000041344362	369183187	/nfs/dbraw/zinc/18/31/87/369183187.db2.gz	NNKPNSYTLZTCRS-UHFFFAOYSA-N	-1	0	259.305	3.190	40	0		CGABRM
COc1ccc(-c2ccc(C(=O)[O-])c(N3CCCC3)n2)cc1	ZINC000049903915	369422518	/nfs/dbraw/zinc/42/25/18/369422518.db2.gz	XQSZMUGDVDHDAH-UHFFFAOYSA-N	-1	0	298.342	3.056	40	0		CGABRM
CCCn1c(=O)c2c([n-]c1=S)c(-c1ccccc1)cn2C	ZINC000070451494	369799344	/nfs/dbraw/zinc/79/93/44/369799344.db2.gz	VGXFRWKXDSCKJA-UHFFFAOYSA-N	-1	0	299.399	3.475	40	0		CGABRM
Cc1ccc(Cn2c3ccccc3nc2CCC(=O)[O-])cc1	ZINC000098152036	370268238	/nfs/dbraw/zinc/26/82/38/370268238.db2.gz	JMQGZOFUOCUZAK-UHFFFAOYSA-N	-1	0	294.354	3.410	40	0		CGABRM
CC(C)Oc1nc(-c2ccccc2)sc1C(=O)[O-]	ZINC000218269460	376186660	/nfs/dbraw/zinc/18/66/60/376186660.db2.gz	MVWAWTSQURTOLY-UHFFFAOYSA-N	-1	0	263.318	3.296	40	0		CGABRM
Cc1cccc(C[C@H](Oc2ccccc2C)C(=O)[O-])c1	ZINC000225017114	376291383	/nfs/dbraw/zinc/29/13/83/376291383.db2.gz	BHNAZBRIMZBEMT-INIZCTEOSA-N	-1	0	270.328	3.378	40	0		CGABRM
Cc1ccc(O[C@@H](Cc2ccccc2F)C(=O)[O-])cc1	ZINC000225050491	376293018	/nfs/dbraw/zinc/29/30/18/376293018.db2.gz	JUWLFGQOIWVPBF-HNNXBMFYSA-N	-1	0	274.291	3.209	40	0		CGABRM
Cc1ccc(O[C@@H](Cc2ccc(F)cc2)C(=O)[O-])cc1	ZINC000225053380	376293225	/nfs/dbraw/zinc/29/32/25/376293225.db2.gz	CIWQBAPLARWLQP-HNNXBMFYSA-N	-1	0	274.291	3.209	40	0		CGABRM
COc1ccccc1C[C@@H](Oc1ccccc1C)C(=O)[O-]	ZINC000225095971	376295042	/nfs/dbraw/zinc/29/50/42/376295042.db2.gz	DLBBDSYPMFGLMS-MRXNPFEDSA-N	-1	0	286.327	3.078	40	0		CGABRM
CC[C@@]1(C(=O)[O-])CC[C@@H](CNC(=O)c2ccccc2)CC1	ZINC000228916309	376453503	/nfs/dbraw/zinc/45/35/03/376453503.db2.gz	OMADTOUPKMVAMJ-WJYNOGRTSA-N	-1	0	289.375	3.088	40	0		CGABRM
N=c1[n-]nc(/C(=C/c2ccc(O)cc2)c2ccccc2)s1	ZINC000408718475	380021289	/nfs/dbraw/zinc/02/12/89/380021289.db2.gz	ZMKZRHKCMIHSRV-GXDHUFHOSA-N	-1	0	295.367	3.245	40	0		CGABRM
O=C([O-])[C@H]1C[C@H]1c1ccc(OCCC(F)(F)F)cc1	ZINC000408715705	380021375	/nfs/dbraw/zinc/02/13/75/380021375.db2.gz	CPUQLHGMSLVZCJ-QWRGUYRKSA-N	-1	0	274.238	3.206	40	0		CGABRM
O=C([O-])c1ccc2c(I)cccc2c1	ZINC000071256822	304251988	/nfs/dbraw/zinc/25/19/88/304251988.db2.gz	SVRZGKPAJVVTIG-UHFFFAOYSA-N	-1	0	298.079	3.143	40	0		CGABRM
O=C([O-])c1cs/c(=N/c2ccccc2)n1-c1ccccc1	ZINC000100445355	304281829	/nfs/dbraw/zinc/28/18/29/304281829.db2.gz	BNDTVUDJTUWUAT-WUKNDPDISA-N	-1	0	296.351	3.469	40	0		CGABRM
Nc1ccc(Nc2cnc3ccccc3c2)c(C(=O)[O-])c1	ZINC000055142721	392097860	/nfs/dbraw/zinc/09/78/60/392097860.db2.gz	IYAJLFIJLLHVHF-UHFFFAOYSA-N	-1	0	279.299	3.259	40	0		CGABRM
CC(C)c1[nH]nc(C(=O)[O-])c1Cc1ccc(Cl)cc1	ZINC000072220409	392201991	/nfs/dbraw/zinc/20/19/91/392201991.db2.gz	RPBPJUXDTDRLCT-UHFFFAOYSA-N	-1	0	278.739	3.476	40	0		CGABRM
O=C([O-])c1sc(Cl)cc1OCC(F)(F)F	ZINC000096510911	392257457	/nfs/dbraw/zinc/25/74/57/392257457.db2.gz	RGNZWFXPYRXLHV-UHFFFAOYSA-N	-1	0	260.620	3.041	40	0		CGABRM
CCOc1ccc2nc(SCC(=O)[O-])c(C)cc2c1	ZINC000004126688	169936057	/nfs/dbraw/zinc/93/60/57/169936057.db2.gz	RLUZHXWVSZZETG-UHFFFAOYSA-N	-1	0	277.345	3.119	40	0		CGABRM
CCc1cccc(C)c1NC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)[O-]	ZINC000005197403	170075517	/nfs/dbraw/zinc/07/55/17/170075517.db2.gz	RSMDIWAAJFIOIB-BARDWOONSA-N	-1	0	299.370	3.019	40	0		CGABRM
Nc1ccc([C@H](C(=O)[O-])c2ccccc2)cc1Cl	ZINC000006575725	170214736	/nfs/dbraw/zinc/21/47/36/170214736.db2.gz	AWSQBWQKHCRBCH-CYBMUJFWSA-N	-1	0	261.708	3.139	40	0		CGABRM
Cc1cc(Nc2cccc(C(=O)[O-])c2)nc(C(C)C)n1	ZINC000008702965	170347737	/nfs/dbraw/zinc/34/77/37/170347737.db2.gz	CXMQIQZQGWRMDG-UHFFFAOYSA-N	-1	0	271.320	3.350	40	0		CGABRM
Cc1ccc(-c2ncc(C(=O)[O-])c(N3CCCC3)n2)cc1C	ZINC000049469019	175481332	/nfs/dbraw/zinc/48/13/32/175481332.db2.gz	DFNXUYBEAYOMEY-UHFFFAOYSA-N	-1	0	297.358	3.059	40	0		CGABRM
CC(C)C(=O)Nc1ccc(-c2ccc(C(=O)[O-])o2)cc1	ZINC000226352597	416521875	/nfs/dbraw/zinc/52/18/75/416521875.db2.gz	HCNANVSPXIUNDJ-UHFFFAOYSA-N	-1	0	273.288	3.239	40	0		CGABRM
CCC(=O)Nc1ccc(C)c(-c2ccc(C(=O)[O-])o2)c1	ZINC000226352405	416522088	/nfs/dbraw/zinc/52/20/88/416522088.db2.gz	MONFKSPXFIEFDS-UHFFFAOYSA-N	-1	0	273.288	3.302	40	0		CGABRM
Nc1ccc(Sc2nc3ccccc3o2)c(C(=O)[O-])c1	ZINC000037933772	260121358	/nfs/dbraw/zinc/12/13/58/260121358.db2.gz	SCFNDMODPIPIIV-UHFFFAOYSA-N	-1	0	286.312	3.259	40	0		CGABRM
Cc1c(NC(=S)NC2CCCCC2)cccc1C(=O)[O-]	ZINC000216928441	300980555	/nfs/dbraw/zinc/98/05/55/300980555.db2.gz	NEHUNLFLVYIANO-UHFFFAOYSA-N	-1	0	292.404	3.312	40	0		CGABRM
N=C1O[C@H](c2c(Cl)cccc2Cl)C([O-])=C1O	ZINC000104240019	303232801	/nfs/dbraw/zinc/23/28/01/303232801.db2.gz	CABWFEHIGMUECS-SECBINFHSA-N	-1	0	260.076	3.370	40	0		CGABRM
O=c1c2c([n-]n1-c1ccccc1)-c1ccccc1CS2	ZINC000001869673	304815753	/nfs/dbraw/zinc/81/57/53/304815753.db2.gz	ZSQFBFDZTRDPQI-UHFFFAOYSA-N	-1	0	280.352	3.438	40	0		CGABRM
O=C([O-])c1cn(C(=O)Cc2ccccc2)c2ccccc12	ZINC000098137515	230391552	/nfs/dbraw/zinc/39/15/52/230391552.db2.gz	MTLIIRXDDGIYFX-UHFFFAOYSA-N	-1	0	279.295	3.222	40	0		CGABRM
CCCc1nnc(SCc2ccc(C(=O)[O-])cc2)o1	ZINC000007605234	344869003	/nfs/dbraw/zinc/86/90/03/344869003.db2.gz	IBYIQDPGMFOZOJ-UHFFFAOYSA-N	-1	0	278.333	3.013	40	0		CGABRM
COc1cc(C)c(C[C@@H]2SC(=O)[N-]C2=O)cc1C(C)C	ZINC000008333893	344873599	/nfs/dbraw/zinc/87/35/99/344873599.db2.gz	SYPWWTQFKFCFIN-ZDUSSCGKSA-N	-1	0	293.388	3.021	40	0		CGABRM
O=C([O-])c1nc(-c2cccc(Cl)c2)n(-c2ccccc2)n1	ZINC000008730831	344875067	/nfs/dbraw/zinc/87/50/67/344875067.db2.gz	IEHZOKSCNJLCFT-UHFFFAOYSA-N	-1	0	299.717	3.286	40	0		CGABRM
O=C(c1ccc([O-])c(Cl)c1)N1CCOc2ccccc21	ZINC000043130934	344994481	/nfs/dbraw/zinc/99/44/81/344994481.db2.gz	NKNBVPIUIOUXEO-UHFFFAOYSA-N	-1	0	289.718	3.085	40	0		CGABRM
CSc1ccccc1[N-]C(=S)NC(C)(C)C	ZINC000054922492	345140521	/nfs/dbraw/zinc/14/05/21/345140521.db2.gz	CESDNPYGJDQKRN-UHFFFAOYSA-N	-1	0	254.424	3.493	40	0		CGABRM
CCCCCc1c(C)[n-]n(-c2nc(C)cc(C)n2)c1=O	ZINC000105330139	186053103	/nfs/dbraw/zinc/05/31/03/186053103.db2.gz	MKHXVSWNXBTDFA-ZDUSSCGKSA-N	-1	0	274.368	3.012	40	0		CGABRM
CC(C)CO[C@H](Cc1cccc(Cl)c1)C(=O)[O-]	ZINC000225060407	189744020	/nfs/dbraw/zinc/74/40/20/189744020.db2.gz	UBTHEJPLSSKSLK-GFCCVEGCSA-N	-1	0	256.729	3.008	40	0		CGABRM
O=C([O-])COc1ccccc1-c1ccc(Cl)cc1	ZINC000001628220	368425544	/nfs/dbraw/zinc/42/55/44/368425544.db2.gz	ZHZVOBSZSGAOKH-UHFFFAOYSA-N	-1	0	262.692	3.470	40	0		CGABRM
CC[C@@](O)(Cc1ccccc1)[C@H](C(=O)[O-])c1ccccc1	ZINC000001622375	368425039	/nfs/dbraw/zinc/42/50/39/368425039.db2.gz	UTGZKPJELAPNMP-FUHWJXTLSA-N	-1	0	284.355	3.239	40	0		CGABRM
CCCCCCC(=O)Nc1ccc(CC(=O)[O-])cc1	ZINC000011638619	368592686	/nfs/dbraw/zinc/59/26/86/368592686.db2.gz	CTYQWXXJLVWWLE-UHFFFAOYSA-N	-1	0	263.337	3.223	40	0		CGABRM
CSc1ccccc1Nc1ncccc1C(=O)[O-]	ZINC000013090603	368642367	/nfs/dbraw/zinc/64/23/67/368642367.db2.gz	XKLADSQYCAPAQX-UHFFFAOYSA-N	-1	0	260.318	3.245	40	0		CGABRM
Cc1ccc(C(=O)[C@H]2CCCC[C@H]2C(=O)[O-])cc1F	ZINC000015441546	368694539	/nfs/dbraw/zinc/69/45/39/368694539.db2.gz	ANJZKQJXYNWGLX-NWDGAFQWSA-N	-1	0	264.296	3.208	40	0		CGABRM
O=C([O-])CCc1nc(-c2cc(Cl)ccc2Cl)no1	ZINC000034797590	368978225	/nfs/dbraw/zinc/97/82/25/368978225.db2.gz	GJDJCBZTYSKILG-UHFFFAOYSA-N	-1	0	287.102	3.061	40	0		CGABRM
Cc1nn(-c2cc(C)ccc2C)c(C)c1CCC(=O)[O-]	ZINC000037009817	369049545	/nfs/dbraw/zinc/04/95/45/369049545.db2.gz	NLDKYKYKURYIQX-UHFFFAOYSA-N	-1	0	272.348	3.123	40	0		CGABRM
CC(C)Oc1ccc(/C=C/C(=O)[O-])cc1Br	ZINC000062703641	369628398	/nfs/dbraw/zinc/62/83/98/369628398.db2.gz	RZKRYCXNAUAHHC-GQCTYLIASA-N	-1	0	285.137	3.334	40	0		CGABRM
O=C([O-])c1cc(Cl)nnc1-c1ccc(Cl)cc1	ZINC000095096632	370176686	/nfs/dbraw/zinc/17/66/86/370176686.db2.gz	VAXZXMXRNKCGSU-UHFFFAOYSA-N	-1	0	269.087	3.149	40	0		CGABRM
Cc1cc2c(cc1C)N(CC(=O)[O-])C(C)(C)C=C2C	ZINC000223185872	376247460	/nfs/dbraw/zinc/24/74/60/376247460.db2.gz	QBJBOHTUGBVZKX-UHFFFAOYSA-N	-1	0	259.349	3.390	40	0		CGABRM
C[C@@H](C(=O)[O-])N(C)c1ccc(Oc2ccccc2)cc1	ZINC000224999235	376291855	/nfs/dbraw/zinc/29/18/55/376291855.db2.gz	ULTNDSOSNIBPBI-LBPRGKRZSA-N	-1	0	271.316	3.388	40	0		CGABRM
Cc1ccc(O[C@H](Cc2ccc(F)cc2)C(=O)[O-])cc1	ZINC000225053423	376293371	/nfs/dbraw/zinc/29/33/71/376293371.db2.gz	CIWQBAPLARWLQP-OAHLLOKOSA-N	-1	0	274.291	3.209	40	0		CGABRM
Cc1ccc(O[C@@H](Cc2cccc(C)c2)C(=O)[O-])cc1	ZINC000225017266	376293915	/nfs/dbraw/zinc/29/39/15/376293915.db2.gz	JGOBRRZMAIRAKV-INIZCTEOSA-N	-1	0	270.328	3.378	40	0		CGABRM
CCCCOc1c(Cl)cc(OC)cc1C(=O)[O-]	ZINC000225279938	376300067	/nfs/dbraw/zinc/30/00/67/376300067.db2.gz	PFFMGSPFSIIYMX-UHFFFAOYSA-N	-1	0	258.701	3.226	40	0		CGABRM
CCC(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1	ZINC000228971129	376455447	/nfs/dbraw/zinc/45/54/47/376455447.db2.gz	LATQVLYVJAJUKC-UHFFFAOYSA-N	-1	0	256.327	3.083	40	0		CGABRM
O=C([O-])[C@H]1CCC(F)(F)C[C@@H]1OCc1ccccc1	ZINC000575440808	377912703	/nfs/dbraw/zinc/91/27/03/377912703.db2.gz	HOVQTAVMLVGBLU-RYUDHWBXSA-N	-1	0	270.275	3.092	40	0		CGABRM
O=C([O-])c1ccc(-c2cc(Cl)ncn2)c(Cl)c1	ZINC000038580441	304230041	/nfs/dbraw/zinc/23/00/41/304230041.db2.gz	ICKWTYSIMUWMTH-UHFFFAOYSA-N	-1	0	269.087	3.149	40	0		CGABRM
O=C([O-])c1cnn(-c2ccccc2Cl)c1C(F)(F)F	ZINC000015442902	304280163	/nfs/dbraw/zinc/28/01/63/304280163.db2.gz	XOYBIULMFZJISK-UHFFFAOYSA-N	-1	0	290.628	3.243	40	0		CGABRM
C[C@@]12C[C@H]3C[C@@](Br)(C1)C[C@](C(=O)[O-])(C3)C2	ZINC000000107484	391906329	/nfs/dbraw/zinc/90/63/29/391906329.db2.gz	AQYMJKFAOHCXOD-NUGNTBJXSA-N	-1	0	273.170	3.195	40	0		CGABRM
O=C([O-])[C@@H]1CCCC[N@@H+]1Cc1c(Cl)cccc1Cl	ZINC000003755691	391918934	/nfs/dbraw/zinc/91/89/34/391918934.db2.gz	VJOZKEXZPIADML-LBPRGKRZSA-N	-1	0	288.174	3.433	40	0		CGABRM
O=C([O-])CCCOc1cc2occc2cc1Br	ZINC000072219770	392202046	/nfs/dbraw/zinc/20/20/46/392202046.db2.gz	GKVQNDCFPRKSTH-UHFFFAOYSA-N	-1	0	299.120	3.439	40	0		CGABRM
CCOCCOc1cc(C(=O)[O-])cc2sccc21	ZINC000072228332	392204584	/nfs/dbraw/zinc/20/45/84/392204584.db2.gz	AWKNYJXFKQAPMJ-UHFFFAOYSA-N	-1	0	266.318	3.015	40	0		CGABRM
O=C([O-])[C@@]1(CCCCCc2ccc(Cl)cc2)CO1	ZINC000001853734	169760386	/nfs/dbraw/zinc/76/03/86/169760386.db2.gz	ACZKTJZXXSHIGF-CQSZACIVSA-N	-1	0	268.740	3.297	40	0	in-man	CGABRM
CCOC(=O)c1cc(=O)c2cc(-c3ccccc3)ccc2[n-]1	ZINC000004353510	169961422	/nfs/dbraw/zinc/96/14/22/169961422.db2.gz	CIKFPAYTONMDRZ-UHFFFAOYSA-N	-1	0	293.322	3.372	40	0		CGABRM
CCCc1cc(=O)n(-c2nc3ccccc3s2)[n-]1	ZINC000005686272	170129043	/nfs/dbraw/zinc/12/90/43/170129043.db2.gz	DOMWXTBWQYSXKZ-UHFFFAOYSA-N	-1	0	259.334	3.189	40	0		CGABRM
Cc1ccc(NC(C)(C)C(=O)[O-])c(Br)c1	ZINC000008702867	170347559	/nfs/dbraw/zinc/34/75/59/170347559.db2.gz	XBUATKMGBWRYOE-UHFFFAOYSA-N	-1	0	272.142	3.033	40	0		CGABRM
Cc1ccc(OCC(=O)Nc2ccc(C(=O)[O-])cc2C)cc1	ZINC000013390824	170547862	/nfs/dbraw/zinc/54/78/62/170547862.db2.gz	VQRCXDDSKZVOQA-UHFFFAOYSA-N	-1	0	299.326	3.019	40	0		CGABRM
CCCCCCC(=O)Nc1cc(C(=O)[O-])ccc1OC	ZINC000020136669	171023586	/nfs/dbraw/zinc/02/35/86/171023586.db2.gz	MKIUHMPZYFNYLI-UHFFFAOYSA-N	-1	0	279.336	3.302	40	0		CGABRM
COc1c(Cl)cc(C(=O)[O-])cc1NC(=O)C(C)(C)C	ZINC000020136871	171024402	/nfs/dbraw/zinc/02/44/02/171024402.db2.gz	MMVKQRKNZGWJMC-UHFFFAOYSA-N	-1	0	285.727	3.031	40	0		CGABRM
CCOc1cccc(C(=O)Nc2ccc(C(=O)[O-])cc2)c1	ZINC000020141426	171028014	/nfs/dbraw/zinc/02/80/14/171028014.db2.gz	SJIYHGNKCUNTPI-UHFFFAOYSA-N	-1	0	285.299	3.036	40	0		CGABRM
Cc1ccccc1C(=O)Nc1cccc(/C=C/C(=O)[O-])c1	ZINC000049591956	175490723	/nfs/dbraw/zinc/49/07/23/175490723.db2.gz	WQLNMRCZUFDYHT-MDZDMXLPSA-N	-1	0	281.311	3.345	40	0		CGABRM
CC(C)C(=O)Nc1cccc(-c2ccc(C(=O)[O-])o2)c1	ZINC000226352128	416522033	/nfs/dbraw/zinc/52/20/33/416522033.db2.gz	LOHLRJJNVBSCDX-UHFFFAOYSA-N	-1	0	273.288	3.239	40	0		CGABRM
CC(C)(C)c1cc2ccccc2c2nc(C(=O)[O-])cn21	ZINC000078404187	278558948	/nfs/dbraw/zinc/55/89/48/278558948.db2.gz	MWYZUZAQQJDQIL-UHFFFAOYSA-N	-1	0	268.316	3.483	40	0		CGABRM
CCc1ccccc1C(=O)c1ccccc1C(=O)[O-]	ZINC000034159915	500748867	/nfs/dbraw/zinc/74/88/67/500748867.db2.gz	RUHXNAPMZZTSIO-UHFFFAOYSA-N	-1	0	254.285	3.178	40	0		CGABRM
CC1=CC(C)(C)N(CC(=O)[O-])c2ccc(Cl)cc21	ZINC000223185640	567949297	/nfs/dbraw/zinc/94/92/97/567949297.db2.gz	PSGHLBYACWLJTF-UHFFFAOYSA-N	-1	0	265.740	3.427	40	0		CGABRM
COc1ccc(-c2nc(C)sc2CC(=O)[O-])c(C)c1	ZINC000085397396	179050021	/nfs/dbraw/zinc/05/00/21/179050021.db2.gz	GTLSEONMDDQXBI-UHFFFAOYSA-N	-1	0	277.345	3.063	40	0		CGABRM
O=C([O-])C1(Oc2ccc(-c3ccccc3)cc2)CC1	ZINC000085392338	179048448	/nfs/dbraw/zinc/04/84/48/179048448.db2.gz	GNPOHQOHOAKUNC-UHFFFAOYSA-N	-1	0	254.285	3.350	40	0		CGABRM
Cc1ccc(C(=O)Nc2cccc(/C=C/C(=O)[O-])c2)cc1	ZINC000109979663	186281864	/nfs/dbraw/zinc/28/18/64/186281864.db2.gz	FQHYTIVLFOOHIX-JXMROGBWSA-N	-1	0	281.311	3.345	40	0		CGABRM
O=C([O-])[C@@H]1CC(=O)c2cccc3c2[C@@H]1c1ccccc1-3	ZINC000085388856	304098368	/nfs/dbraw/zinc/09/83/68/304098368.db2.gz	IQDITGYLNALZDR-CZUORRHYSA-N	-1	0	264.280	3.086	40	0		CGABRM
CO[C@H](Cc1ccccc1Oc1ccccc1)C(=O)[O-]	ZINC000225140164	189744539	/nfs/dbraw/zinc/74/45/39/189744539.db2.gz	LVTSDRVUOGGEGY-OAHLLOKOSA-N	-1	0	272.300	3.121	40	0		CGABRM
O=C([O-])C[C@H](NC(=O)C1CCCCC1)c1ccc(F)cc1	ZINC000000203429	368313728	/nfs/dbraw/zinc/31/37/28/368313728.db2.gz	RETFOGQYBJEATB-AWEZNQCLSA-N	-1	0	293.338	3.038	40	0		CGABRM
O=C([O-])c1ccccc1SC(=O)Cc1ccccc1	ZINC000000035238	368273424	/nfs/dbraw/zinc/27/34/24/368273424.db2.gz	ZRXJHCNGZWNATK-UHFFFAOYSA-N	-1	0	272.325	3.246	40	0		CGABRM
O=C([O-])c1ccccc1NC(=S)Nc1ccccc1	ZINC000000134464	368298322	/nfs/dbraw/zinc/29/83/22/368298322.db2.gz	DMGXHAJMRPAATB-UHFFFAOYSA-N	-1	0	272.329	3.194	40	0		CGABRM
CCCCC[C@](C)(O)[C@@H](C(=O)[O-])c1ccccc1	ZINC000001646356	368426154	/nfs/dbraw/zinc/42/61/54/368426154.db2.gz	YCNLFXQTGMHGQE-HIFRSBDPSA-N	-1	0	250.338	3.186	40	0		CGABRM
O=C([O-])Cc1cccc2c(=O)cc(C3CCCCC3)oc12	ZINC000001584868	368420724	/nfs/dbraw/zinc/42/07/24/368420724.db2.gz	IWRSUCYIHRYMGX-UHFFFAOYSA-N	-1	0	286.327	3.468	40	0		CGABRM
CC(C)c1c2ccccc2ccc1S(=O)(=O)[O-]	ZINC000001669763	368429264	/nfs/dbraw/zinc/42/92/64/368429264.db2.gz	MRIOWYUNDFDYOT-UHFFFAOYSA-N	-1	0	250.319	3.210	40	0		CGABRM
C[C@@H]1CCC[C@H](C(O)(C(=O)[O-])[C@@H]2CCC[C@H](C)C2)C1	ZINC000005047877	368561291	/nfs/dbraw/zinc/56/12/91/368561291.db2.gz	SNFQLKDJWIBNQF-HZWJRBNISA-N	-1	0	268.397	3.455	40	0		CGABRM
COc1ccc(C(=O)[O-])cc1OCc1ccccc1C	ZINC000011826211	368596800	/nfs/dbraw/zinc/59/68/00/368596800.db2.gz	BPHPWMINIBRLME-UHFFFAOYSA-N	-1	0	272.300	3.281	40	0		CGABRM
CCOc1ccc(C(=O)Nc2cc(C(=O)[O-])ccc2C)cc1	ZINC000013169667	368646665	/nfs/dbraw/zinc/64/66/65/368646665.db2.gz	CGKFGDGRMPELID-UHFFFAOYSA-N	-1	0	299.326	3.344	40	0		CGABRM
Cc1ccc(C(=O)[O-])cc1NC(=O)/C=C/c1ccc(F)cc1	ZINC000013169742	368646774	/nfs/dbraw/zinc/64/67/74/368646774.db2.gz	YEEQICHGSJITPG-WEVVVXLNSA-N	-1	0	299.301	3.484	40	0		CGABRM
CC(C)OC(=O)c1cccc(-c2ccc(C(=O)[O-])o2)c1	ZINC000016575533	368715216	/nfs/dbraw/zinc/71/52/16/368715216.db2.gz	RKOBTPGSRFVWCD-UHFFFAOYSA-N	-1	0	274.272	3.210	40	0		CGABRM
CC(C)(CC(=O)[O-])c1ccc(Br)cc1	ZINC000032110044	368925070	/nfs/dbraw/zinc/92/50/70/368925070.db2.gz	OWMVMLKZQONNKY-UHFFFAOYSA-N	-1	0	257.127	3.201	40	0		CGABRM
Cc1ccc(-c2ncc(C(=O)[O-])c(N3CCCCC3)n2)cc1	ZINC000035981472	369005581	/nfs/dbraw/zinc/00/55/81/369005581.db2.gz	UOPCACFQEHWDPK-UHFFFAOYSA-N	-1	0	297.358	3.141	40	0		CGABRM
Nc1ccc(Nc2cccc(Cl)c2)c(C(=O)[O-])c1	ZINC000037930492	369126260	/nfs/dbraw/zinc/12/62/60/369126260.db2.gz	OQSZWWDTNWOHCC-UHFFFAOYSA-N	-1	0	262.696	3.364	40	0		CGABRM
Cc1nn(-c2cc(Cl)ccc2C)c(C)c1CCC(=O)[O-]	ZINC000041482947	369186992	/nfs/dbraw/zinc/18/69/92/369186992.db2.gz	FNZGACMQBGGVMQ-UHFFFAOYSA-N	-1	0	292.766	3.468	40	0		CGABRM
Cc1nn(-c2nc3ccc(C)cc3s2)c(C)c1C(=O)[O-]	ZINC000057351350	369535172	/nfs/dbraw/zinc/53/51/72/369535172.db2.gz	AKINLRSGUOFXMJ-UHFFFAOYSA-N	-1	0	287.344	3.105	40	0		CGABRM
Cc1cc2occ(CC(=O)[O-])c2cc1Br	ZINC000085399383	370017537	/nfs/dbraw/zinc/01/75/37/370017537.db2.gz	IDESNZXJQLHJHD-UHFFFAOYSA-N	-1	0	269.094	3.131	40	0		CGABRM
Cc1c(NC(=O)/C=C/c2ccc(F)cc2)cccc1C(=O)[O-]	ZINC000315018647	374325511	/nfs/dbraw/zinc/32/55/11/374325511.db2.gz	KYEBQXIQCLTPBY-JXMROGBWSA-N	-1	0	299.301	3.484	40	0		CGABRM
Cc1c(C(=O)[O-])c2ccccc2n1C(=O)CC(C)C	ZINC000216949508	376170409	/nfs/dbraw/zinc/17/04/09/376170409.db2.gz	IFOYMEGAQKNFMY-UHFFFAOYSA-N	-1	0	259.305	3.334	40	0		CGABRM
CCN(CCCC(=O)[O-])c1cccc(Cl)c1C	ZINC000224991356	376289871	/nfs/dbraw/zinc/28/98/71/376289871.db2.gz	SDLIXJUAUMXASP-UHFFFAOYSA-N	-1	0	255.745	3.340	40	0		CGABRM
Cc1ccccc1C[C@@H](Oc1ccccc1)C(=O)[O-]	ZINC000225014553	376291692	/nfs/dbraw/zinc/29/16/92/376291692.db2.gz	BXEUNOBGTHZBIN-OAHLLOKOSA-N	-1	0	256.301	3.070	40	0		CGABRM
COc1cccc(O[C@H](Cc2ccc(C)cc2)C(=O)[O-])c1	ZINC000225020686	376293281	/nfs/dbraw/zinc/29/32/81/376293281.db2.gz	LSZPQAFFRSWDTO-MRXNPFEDSA-N	-1	0	286.327	3.078	40	0		CGABRM
CCCCc1ccc(C[C@H](OC(C)C)C(=O)[O-])cc1	ZINC000225129946	376294637	/nfs/dbraw/zinc/29/46/37/376294637.db2.gz	PTTLWXMOQIYVKB-HNNXBMFYSA-N	-1	0	264.365	3.450	40	0		CGABRM
O=C([O-])c1cccn1-c1ccc(Br)cc1F	ZINC000035431608	304271695	/nfs/dbraw/zinc/27/16/95/304271695.db2.gz	PYJPIDWBTGCPKB-UHFFFAOYSA-N	-1	0	284.084	3.077	40	0		CGABRM
O=C([O-])c1cccnc1N1CCC[C@@H]1c1ccccc1	ZINC000006732261	304272158	/nfs/dbraw/zinc/27/21/58/304272158.db2.gz	PINOXEVUPOYFIX-CQSZACIVSA-N	-1	0	268.316	3.121	40	0		CGABRM
O=C([O-])c1cccnc1Nc1ccc2c(c1)CCC2	ZINC000013090906	304272543	/nfs/dbraw/zinc/27/25/43/304272543.db2.gz	DOQPGVLWJRLZIV-UHFFFAOYSA-N	-1	0	254.289	3.012	40	0		CGABRM
Cc1c(C(=O)[O-])cnc2c(-c3ccc(Cl)cc3)cnn21	ZINC000020342926	391940186	/nfs/dbraw/zinc/94/01/86/391940186.db2.gz	MTGKQWPCJCEORW-UHFFFAOYSA-N	-1	0	287.706	3.056	40	0		CGABRM
Cc1nnc(SC(=S)[N-]c2ccccc2)s1	ZINC000006391851	170197650	/nfs/dbraw/zinc/19/76/50/170197650.db2.gz	HOMUQQUVCDKEEK-UHFFFAOYSA-N	-1	0	267.404	3.336	40	0		CGABRM
O=C([O-])[C@@H]1[C@H](C(=O)Nc2ccccc2Cl)[C@@H]2CC[C@H]1C2	ZINC000006700399	170228929	/nfs/dbraw/zinc/22/89/29/170228929.db2.gz	AMQBBWMQJONXHH-DTVLGXAZSA-N	-1	0	293.750	3.025	40	0		CGABRM
Cc1ccc(OCc2ccc3c(c2)OCO3)c(C(=O)[O-])c1	ZINC000008731832	170351205	/nfs/dbraw/zinc/35/12/05/170351205.db2.gz	UMELIOFANHEOSP-UHFFFAOYSA-N	-1	0	286.283	3.001	40	0		CGABRM
CCc1c(C)nc2c(-c3ccc(F)cc3)c(C)[n-]n2c1=O	ZINC000014163610	170620835	/nfs/dbraw/zinc/62/08/35/170620835.db2.gz	ZBCLGLBLPURGEG-UHFFFAOYSA-N	-1	0	285.322	3.008	40	0		CGABRM
O=C([O-])c1ccc(NC(=O)c2cccc(F)c2)cc1Cl	ZINC000020138107	171025382	/nfs/dbraw/zinc/02/53/82/171025382.db2.gz	YPNGBCGCHDYRTC-UHFFFAOYSA-N	-1	0	293.681	3.430	40	0		CGABRM
CCOc1cccc(C(=O)Nc2cc(C(=O)[O-])ccc2C)c1	ZINC000020141420	171027794	/nfs/dbraw/zinc/02/77/94/171027794.db2.gz	NBIPCKVACAINQR-UHFFFAOYSA-N	-1	0	299.326	3.344	40	0		CGABRM
CCCCn1c2ccc(C(=O)[O-])cc2nc1CCC	ZINC000037309579	173112682	/nfs/dbraw/zinc/11/26/82/173112682.db2.gz	JEYRDPQGGZEVTC-UHFFFAOYSA-N	-1	0	260.337	3.487	40	0		CGABRM
C[C@@]1(C(=O)[O-])CC(c2ccc(-c3ccccc3)cc2)=NO1	ZINC000071981059	176307842	/nfs/dbraw/zinc/30/78/42/176307842.db2.gz	SKGKYXPBMDQGNV-KRWDZBQOSA-N	-1	0	281.311	3.321	40	0		CGABRM
CCCC(=O)Nc1cccc(-c2ccc(C(=O)[O-])o2)c1	ZINC000226352151	416522195	/nfs/dbraw/zinc/52/21/95/416522195.db2.gz	GGIKDJYYPBWEHS-UHFFFAOYSA-N	-1	0	273.288	3.383	40	0		CGABRM
O=C([O-])[C@H]1CC[C@H](C(=O)c2cccc(Cl)c2)CC1	ZINC000100449770	227340420	/nfs/dbraw/zinc/34/04/20/227340420.db2.gz	ICFBGWQDVCVUGG-AOOOYVTPSA-N	-1	0	266.724	3.414	40	0		CGABRM
Cc1cc(Cl)ccc1Nc1ncccc1C(=O)[O-]	ZINC000013090453	301290989	/nfs/dbraw/zinc/29/09/89/301290989.db2.gz	VZPXQJFOQAMICK-UHFFFAOYSA-N	-1	0	262.696	3.485	40	0		CGABRM
Cc1cc(OCc2n[n-]c(=S)o2)cc(C)c1Cl	ZINC000009286954	301377941	/nfs/dbraw/zinc/37/79/41/301377941.db2.gz	AQPXLBGWDQTZGC-UHFFFAOYSA-N	-1	0	270.741	3.208	40	0		CGABRM
Cc1nc2ccccc2c(C(=O)[O-])c1-c1ccccn1	ZINC000008618961	302664839	/nfs/dbraw/zinc/66/48/39/302664839.db2.gz	YJXMNAVCRGSWKE-UHFFFAOYSA-N	-1	0	264.284	3.303	40	0		CGABRM
CCCN(c1ccc(Cl)cc1)[C@H](CC)C(=O)[O-]	ZINC000260679405	328131161	/nfs/dbraw/zinc/13/11/61/328131161.db2.gz	LWBPOWHQWQIYLQ-GFCCVEGCSA-N	-1	0	255.745	3.420	40	0		CGABRM
O=C([O-])[C@@H](Cc1ccccc1)Oc1ccc(Cl)cc1	ZINC000013671685	326841455	/nfs/dbraw/zinc/84/14/55/326841455.db2.gz	CPBLTMSKPQDJPW-CQSZACIVSA-N	-1	0	276.719	3.415	40	0	in-vitro	CGABRM
CCc1nocc1/C=C/c1ncc(C(=O)[O-])c(C(C)C)n1	ZINC000577262185	335331476	/nfs/dbraw/zinc/33/14/76/335331476.db2.gz	SBAHDVXIBRRXRK-AATRIKPKSA-N	-1	0	287.319	3.019	40	0		CGABRM
O=C([O-])c1ccc(Cc2ccc(Br)cc2)[nH]1	ZINC000096978705	185145593	/nfs/dbraw/zinc/14/55/93/185145593.db2.gz	PNWXDMYOEIZVOM-UHFFFAOYSA-N	-1	0	280.121	3.066	40	0		CGABRM
Cc1nnc(S/C(=C\c2ccc(Cl)cc2)C(=O)[O-])o1	ZINC000007603546	344868644	/nfs/dbraw/zinc/86/86/44/344868644.db2.gz	PHNXJGOKFCMQQA-POHAHGRESA-N	-1	0	296.735	3.249	40	0		CGABRM
O=C([O-])c1cc(C(F)(F)F)cc(Br)c1F	ZINC000144359004	346117740	/nfs/dbraw/zinc/11/77/40/346117740.db2.gz	BECOJVSNSCGNHO-UHFFFAOYSA-N	-1	0	287.006	3.305	40	0		CGABRM
CC[C@@H](C(=O)[O-])n1cc(-c2cccc(Cl)c2)cn1	ZINC000085391276	179048745	/nfs/dbraw/zinc/04/87/45/179048745.db2.gz	ZMLXWSYJZHPCQY-LBPRGKRZSA-N	-1	0	264.712	3.239	40	0		CGABRM
O=C([O-])c1cc2[nH]ccc2c(OCc2ccccc2)c1	ZINC000089204561	179753698	/nfs/dbraw/zinc/75/36/98/179753698.db2.gz	VAJBCPBCXZSTAY-UHFFFAOYSA-N	-1	0	267.284	3.445	40	0		CGABRM
CC(C)(C)OC(=O)NCc1ccc(C(=O)[O-])cc1Cl	ZINC000090636363	180017266	/nfs/dbraw/zinc/01/72/66/180017266.db2.gz	ZUNRWCIMDCYBIQ-UHFFFAOYSA-N	-1	0	285.727	3.063	40	0		CGABRM
O=C([O-])C1=Nc2nc3ccccc3n2[C@H]([C@H]2CC=CCC2)C1	ZINC000102243707	304035484	/nfs/dbraw/zinc/03/54/84/304035484.db2.gz	MTYKKSCGUDUORH-NHYWBVRUSA-N	-1	0	295.342	3.328	40	0		CGABRM
O=C([O-])/C=C/c1c(-c2ccc(F)cc2)nc2ccccn12	ZINC000002510950	368457105	/nfs/dbraw/zinc/45/71/05/368457105.db2.gz	WUDBJLAEGOIPPA-CMDGGOBGSA-N	-1	0	282.274	3.238	40	0		CGABRM
Cc1ccc(Sc2ccc(N)cc2C(=O)[O-])cc1	ZINC000037933713	369126131	/nfs/dbraw/zinc/12/61/31/369126131.db2.gz	AAUJHASJVUZSSA-UHFFFAOYSA-N	-1	0	259.330	3.427	40	0		CGABRM
CC(C)Cc1ccc(C(=O)[O-])n1Cc1ccccc1	ZINC000226023300	189768692	/nfs/dbraw/zinc/76/86/92/189768692.db2.gz	LNEPFOIGRCMQQD-UHFFFAOYSA-N	-1	0	257.333	3.433	40	0		CGABRM
COc1ccc(-c2ccc(C(=O)[O-])c(NC(C)C)n2)cc1	ZINC000049884268	369421276	/nfs/dbraw/zinc/42/12/76/369421276.db2.gz	SRFROKQVGHUDBN-UHFFFAOYSA-N	-1	0	286.331	3.276	40	0		CGABRM
Cc1nn(-c2ccc(C(C)C)cc2)c(C)c1CC(=O)[O-]	ZINC000057567863	369541850	/nfs/dbraw/zinc/54/18/50/369541850.db2.gz	CRIGQTJMTSPAOO-UHFFFAOYSA-N	-1	0	272.348	3.240	40	0		CGABRM
O=C([O-])[C@@H](c1c[nH]c2cc(F)ccc21)C(F)(F)F	ZINC000098213615	370269064	/nfs/dbraw/zinc/26/90/64/370269064.db2.gz	UYELSTFYNVMZAH-SECBINFHSA-N	-1	0	261.174	3.038	40	0		CGABRM
CC(=O)C(C)=C([O-])c1cc(C)c(Br)s1	ZINC000104085623	370337649	/nfs/dbraw/zinc/33/76/49/370337649.db2.gz	OAAFMCKNSJWUIK-LURJTMIESA-N	-1	0	275.167	3.227	40	0		CGABRM
O=C([O-])c1ccccc1CNc1cnn(C2CCCC2)c1	ZINC000256050438	190002990	/nfs/dbraw/zinc/00/29/90/190002990.db2.gz	FAGMDNFUCCKHSM-UHFFFAOYSA-N	-1	0	285.347	3.309	40	0		CGABRM
O=C([O-])COc1ccccc1Oc1cccc(F)c1	ZINC000257275383	190024912	/nfs/dbraw/zinc/02/49/12/190024912.db2.gz	NPDKOYRAOKLQSG-UHFFFAOYSA-N	-1	0	262.236	3.081	40	0		CGABRM
C[Si](C)(C)c1cc(Cl)c(C(=O)[O-])cc1Cl	ZINC000196206375	376119913	/nfs/dbraw/zinc/11/99/13/376119913.db2.gz	ATWUCSOUQIVASA-UHFFFAOYSA-N	-1	0	263.196	3.237	40	0		CGABRM
O=C([O-])Cc1cnn(CC2CCCCC2)c1C(F)(F)F	ZINC000226067923	376339540	/nfs/dbraw/zinc/33/95/40/376339540.db2.gz	JOTWRJJERLHZSZ-UHFFFAOYSA-N	-1	0	290.285	3.109	40	0		CGABRM
O=C([O-])c1ccc(OCc2noc(-c3ccccc3)n2)cc1	ZINC000226105950	376341352	/nfs/dbraw/zinc/34/13/52/376341352.db2.gz	MESQJTAAVQLZDM-UHFFFAOYSA-N	-1	0	296.282	3.014	40	0		CGABRM
CC[C@H](C(=O)[O-])N(CC)c1cccc(Br)c1	ZINC000224989511	376290280	/nfs/dbraw/zinc/29/02/80/376290280.db2.gz	RBEAYXAQTNKSSV-LLVKDONJSA-N	-1	0	286.169	3.139	40	0		CGABRM
Cc1cccc(O[C@H](Cc2ccccc2C)C(=O)[O-])c1	ZINC000225014781	376291571	/nfs/dbraw/zinc/29/15/71/376291571.db2.gz	GSECSYNWYAWQMR-MRXNPFEDSA-N	-1	0	270.328	3.378	40	0		CGABRM
CCCO[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)[O-]	ZINC000225086922	376294453	/nfs/dbraw/zinc/29/44/53/376294453.db2.gz	CTOOXWOLJLLXFO-NSHDSACASA-N	-1	0	277.147	3.416	40	0		CGABRM
COc1cccc(C[C@H](Oc2ccccc2C)C(=O)[O-])c1	ZINC000225098712	376294706	/nfs/dbraw/zinc/29/47/06/376294706.db2.gz	QHMMNIPDPCIGLP-INIZCTEOSA-N	-1	0	286.327	3.078	40	0		CGABRM
O=C([O-])c1c(Cl)cc(Cl)cc1Br	ZINC000090484129	304217221	/nfs/dbraw/zinc/21/72/21/304217221.db2.gz	TYLORTSVHWJWAD-UHFFFAOYSA-N	-1	0	269.909	3.454	40	0		CGABRM
O=C([O-])c1ccc2c3c(ccc2Br)CCc31	ZINC000001723057	304254303	/nfs/dbraw/zinc/25/43/03/304254303.db2.gz	PFJJTTIMSCGJQP-UHFFFAOYSA-N	-1	0	277.117	3.399	40	0		CGABRM
O=C([O-])c1cccc(C(F)(F)F)c1C(F)(F)F	ZINC000096171730	304258535	/nfs/dbraw/zinc/25/85/35/304258535.db2.gz	UFJRJAOQYVMWEZ-UHFFFAOYSA-N	-1	0	258.117	3.422	40	0		CGABRM
O=C([O-])c1cccc2cccc(C(=O)Nc3ccccn3)c21	ZINC000006277109	304266518	/nfs/dbraw/zinc/26/65/18/304266518.db2.gz	HHKFZNCOUXSGJZ-UHFFFAOYSA-N	-1	0	292.294	3.185	40	0		CGABRM
CCCCCCN(CCC(=O)[O-])C(=O)OC(C)(C)C	ZINC000582468939	393204950	/nfs/dbraw/zinc/20/49/50/393204950.db2.gz	JDNHOTITPQFNMB-UHFFFAOYSA-N	-1	0	273.373	3.279	40	0		CGABRM
C[C@@H]1CCc2nc3ccc(F)cc3c(C(=O)[O-])c2C1	ZINC000004130313	296766066	/nfs/dbraw/zinc/76/60/66/296766066.db2.gz	DOSUTQCWYRWNBY-MRVPVSSYSA-N	-1	0	259.280	3.197	40	0		CGABRM
CCOc1cc(/C=C/C(=O)[O-])cc(Cl)c1OCC	ZINC000005953432	170161679	/nfs/dbraw/zinc/16/16/79/170161679.db2.gz	FESLYSSQEFVBNX-AATRIKPKSA-N	-1	0	270.712	3.235	40	0		CGABRM
CCC[C@@H](Nc1cccc(Br)c1)C(=O)[O-]	ZINC000008702803	170347540	/nfs/dbraw/zinc/34/75/40/170347540.db2.gz	AYNDVJGQAQYBNZ-SNVBAGLBSA-N	-1	0	272.142	3.114	40	0		CGABRM
CCC[C@@H](Nc1ccc(Br)cc1F)C(=O)[O-]	ZINC000008730670	170350886	/nfs/dbraw/zinc/35/08/86/170350886.db2.gz	MQSAXPCDGKXRAM-SNVBAGLBSA-N	-1	0	290.132	3.253	40	0		CGABRM
CCCCC(=O)Nc1ccccc1S[C@H](C)C(=O)[O-]	ZINC000008732835	170351733	/nfs/dbraw/zinc/35/17/33/170351733.db2.gz	BQTOJLLTBDFZGT-SNVBAGLBSA-N	-1	0	281.377	3.381	40	0		CGABRM
O=C([O-])[C@@H](Cc1ccc(Cl)cc1)Oc1ccccc1	ZINC000013604734	170568294	/nfs/dbraw/zinc/56/82/94/170568294.db2.gz	LMPKJEIAQKEDNV-CQSZACIVSA-N	-1	0	276.719	3.415	40	0		CGABRM
CCOc1cccc(C(=O)Nc2cccc(C(=O)[O-])c2)c1	ZINC000020141412	171027975	/nfs/dbraw/zinc/02/79/75/171027975.db2.gz	AAFBQBNJYIIFEH-UHFFFAOYSA-N	-1	0	285.299	3.036	40	0		CGABRM
COc1ccccc1[C@@H](C)Nc1nc(C)c(C(=O)[O-])s1	ZINC000020156592	171039394	/nfs/dbraw/zinc/03/93/94/171039394.db2.gz	YIKLELHWZBVNCB-MRVPVSSYSA-N	-1	0	292.360	3.331	40	0		CGABRM
O=C([O-])C[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1	ZINC000022011792	171349067	/nfs/dbraw/zinc/34/90/67/171349067.db2.gz	ZXEOHROMGBZHPE-MRXNPFEDSA-N	-1	0	298.338	3.063	40	0		CGABRM
CCC(CC)c1nc2ccccc2c(NCCC(=O)[O-])n1	ZINC000026442550	171484725	/nfs/dbraw/zinc/48/47/25/171484725.db2.gz	RKCKEIDWAMNDPU-UHFFFAOYSA-N	-1	0	287.363	3.420	40	0		CGABRM
Nc1ccc(OCc2ccccc2Cl)c(C(=O)[O-])c1	ZINC000037289656	173094794	/nfs/dbraw/zinc/09/47/94/173094794.db2.gz	KVEGMUVREJIQDY-UHFFFAOYSA-N	-1	0	277.707	3.199	40	0		CGABRM
O=C([O-])c1ccc(OCc2nc(C3CC3)cs2)cc1	ZINC000040165631	174197632	/nfs/dbraw/zinc/19/76/32/174197632.db2.gz	YSOXDVNADKNNAQ-UHFFFAOYSA-N	-1	0	275.329	3.298	40	0		CGABRM
CCOc1ccccc1Nc1ccc(N)cc1C(=O)[O-]	ZINC000037930282	260121444	/nfs/dbraw/zinc/12/14/44/260121444.db2.gz	FDCPHGSTSXNAJR-UHFFFAOYSA-N	-1	0	272.304	3.109	40	0		CGABRM
O=C([O-])c1ccccc1C(=O)c1cc(F)c(F)c(F)c1	ZINC000095634563	265306073	/nfs/dbraw/zinc/30/60/73/265306073.db2.gz	MQSCYMAHNNBKOX-UHFFFAOYSA-N	-1	0	280.201	3.033	40	0		CGABRM
CC1CCC([C@](O)(C(=O)[O-])C2CCCCC2)CC1	ZINC000000392316	281769348	/nfs/dbraw/zinc/76/93/48/281769348.db2.gz	QZHULXMRSZMOEF-HGMXIMQMSA-N	-1	0	254.370	3.209	40	0		CGABRM
Cc1ccc(N2N=C(C(=O)[O-])C[C@H]2c2ccccc2)cc1	ZINC000071978945	301631547	/nfs/dbraw/zinc/63/15/47/301631547.db2.gz	HSGVCVOERNHAIG-INIZCTEOSA-N	-1	0	280.327	3.387	40	0		CGABRM
C[C@H](C(=O)[O-])N1c2ccc(F)cc2[C@H](C)CC1(C)C	ZINC000260619425	327945340	/nfs/dbraw/zinc/94/53/40/327945340.db2.gz	LNIQFGDNEODLQD-NXEZZACHSA-N	-1	0	265.328	3.391	40	0		CGABRM
O=C([O-])c1cc(Cl)cc(NC(=O)Cc2ccsc2)c1	ZINC000166541643	600621652	/nfs/dbraw/zinc/62/16/52/600621652.db2.gz	NCJMINHZIJTPLS-UHFFFAOYSA-N	-1	0	295.747	3.281	40	0		CGABRM
CC(/C=C/C(=O)[O-])=C\C[C@H](O)/C(C)=C/CC[C@H](C)[C@@H](C)O	ZINC000031166601	623666428	/nfs/dbraw/zinc/66/64/28/623666428.db2.gz	RCKDDMWGRIYLCN-GWZLASKNSA-N	-1	0	296.407	3.068	40	0	biogenic,in-vitro	CGABRM
Nc1ccccc1[C@@H]1C(=O)c2sccc2[N-]C1=S	ZINC000095913261	640816734	/nfs/dbraw/zinc/81/67/34/640816734.db2.gz	AQAXJOGTIUTHSX-SNVBAGLBSA-N	-1	0	274.370	3.050	40	0		CGABRM
Cc1ccc(-c2nc([N-]c3nc(C)cc(C)n3)no2)cc1	ZINC000008559011	344874401	/nfs/dbraw/zinc/87/44/01/344874401.db2.gz	CYROAJKVFUYJRF-UHFFFAOYSA-N	-1	0	281.319	3.195	40	0		CGABRM
Cc1cc(C(=O)[O-])nc2c(-c3cccc(Cl)c3)cnn21	ZINC000575423606	346669912	/nfs/dbraw/zinc/66/99/12/346669912.db2.gz	WZBWLTUYSCPZDB-UHFFFAOYSA-N	-1	0	287.706	3.056	40	0		CGABRM
CC(C)(C)OC(=O)N[C@@H]1C[C@]2(C(=O)[O-])CC[C@@]1(C)C2(C)C	ZINC000216528083	189704907	/nfs/dbraw/zinc/70/49/07/189704907.db2.gz	OHYNXVFOMLEBLI-GTTSAUCSSA-N	-1	0	297.395	3.181	40	0		CGABRM
Cc1cccc(C[C@@H](Oc2cccc(C)c2)C(=O)[O-])c1	ZINC000225017167	189743721	/nfs/dbraw/zinc/74/37/21/189743721.db2.gz	GIJCVVGKOFOLMK-MRXNPFEDSA-N	-1	0	270.328	3.378	40	0		CGABRM
CC(C)(C)NC(=S)Nc1ccc(C(=O)[O-])cc1Cl	ZINC000225155752	189744345	/nfs/dbraw/zinc/74/43/45/189744345.db2.gz	QBECLMJJAATGDK-UHFFFAOYSA-N	-1	0	286.784	3.123	40	0		CGABRM
Cc1ccc(OC(=O)Nc2ccc(C(=O)[O-])c(O)c2)cc1	ZINC000001619300	368423162	/nfs/dbraw/zinc/42/31/62/368423162.db2.gz	APUNZODTGVOHLV-UHFFFAOYSA-N	-1	0	287.271	3.010	40	0		CGABRM
Cc1ccc([C@@H](Nc2ccccc2F)C(=O)[O-])cc1	ZINC000004264439	368539944	/nfs/dbraw/zinc/53/99/44/368539944.db2.gz	JHQRPLRQUPRKKA-CQSZACIVSA-N	-1	0	259.280	3.372	40	0		CGABRM
COc1ccc(Cl)cc1-c1ccc(C(=O)[O-])o1	ZINC000013814570	368667676	/nfs/dbraw/zinc/66/76/76/368667676.db2.gz	QEBQZDQYXRXDHL-UHFFFAOYSA-N	-1	0	252.653	3.307	40	0		CGABRM
C[C@H](Oc1ccc(Cc2ccccc2)cc1)C(=O)[O-]	ZINC000013609135	368658480	/nfs/dbraw/zinc/65/84/80/368658480.db2.gz	ZWGYWHZAZUFCJP-LBPRGKRZSA-N	-1	0	256.301	3.129	40	0		CGABRM
Cc1nn(-c2cccc(Cl)c2)c(C)c1CCC(=O)[O-]	ZINC000019422156	368751923	/nfs/dbraw/zinc/75/19/23/368751923.db2.gz	MGAPRLWEBMWAJD-UHFFFAOYSA-N	-1	0	278.739	3.160	40	0		CGABRM
Nc1ccc(NCCc2ccc(Cl)cc2)c(C(=O)[O-])c1	ZINC000048765604	369369703	/nfs/dbraw/zinc/36/97/03/369369703.db2.gz	KLODIXBSMWMEMU-UHFFFAOYSA-N	-1	0	290.750	3.275	40	0		CGABRM
Cc1ccccc1O[C@H](C)C(=O)Nc1ccc(C(=O)[O-])cc1	ZINC000066145736	369688638	/nfs/dbraw/zinc/68/86/38/369688638.db2.gz	MNIXPEFWISTOHL-GFCCVEGCSA-N	-1	0	299.326	3.099	40	0		CGABRM
CC(C)(C)[C@@H]1C[C@H](Oc2cccc(N)c2)CCN1C(=O)[O-]	ZINC000098213384	370269395	/nfs/dbraw/zinc/26/93/95/370269395.db2.gz	XWXAYHNMDRHAQS-KGLIPLIRSA-N	-1	0	292.379	3.205	40	0		CGABRM
CC1(C)[C@@H]([C@@H](O)Cc2ccccc2)CC[C@]1(C)C(=O)[O-]	ZINC000245239192	189916175	/nfs/dbraw/zinc/91/61/75/189916175.db2.gz	GHNNJPAHRGNFBK-JKIFEVAISA-N	-1	0	276.376	3.117	40	0		CGABRM
O=C([O-])c1ccccc1-c1ccc(CN2CCCC2=O)cc1	ZINC000257313881	190031928	/nfs/dbraw/zinc/03/19/28/190031928.db2.gz	UUMIGFKMCCWGNG-UHFFFAOYSA-N	-1	0	295.338	3.174	40	0		CGABRM
O=C([O-])[C@H](Cc1ccccc1)Sc1ccccc1	ZINC000196717047	376118952	/nfs/dbraw/zinc/11/89/52/376118952.db2.gz	VVIJNBQQHHRREA-AWEZNQCLSA-N	-1	0	258.342	3.475	40	0		CGABRM
CC1=CC(C)(C)N([C@@H](C)C(=O)[O-])c2ccc(F)cc21	ZINC000223190652	376247373	/nfs/dbraw/zinc/24/73/73/376247373.db2.gz	BHCULTJLVJEZNJ-JTQLQIEISA-N	-1	0	263.312	3.301	40	0		CGABRM
CC[C@H](C(=O)[O-])N(CC)c1ccc(C)c(Cl)c1	ZINC000224993190	376291790	/nfs/dbraw/zinc/29/17/90/376291790.db2.gz	VHPYWRUYCRBXKB-GFCCVEGCSA-N	-1	0	255.745	3.338	40	0		CGABRM
Cc1cccc(C[C@H](Oc2ccccc2)C(=O)[O-])c1	ZINC000225017010	376292236	/nfs/dbraw/zinc/29/22/36/376292236.db2.gz	DJGKEILHZMYFLK-HNNXBMFYSA-N	-1	0	256.301	3.070	40	0		CGABRM
Cc1ccc(C[C@@H](Oc2ccccc2)C(=O)[O-])cc1C	ZINC000225032997	376293665	/nfs/dbraw/zinc/29/36/65/376293665.db2.gz	DDPVMCNTSLQENN-MRXNPFEDSA-N	-1	0	270.328	3.378	40	0		CGABRM
Cc1ccc(C[C@H](OCc2ccccc2)C(=O)[O-])cc1	ZINC000225021782	376293906	/nfs/dbraw/zinc/29/39/06/376293906.db2.gz	BJDWZPCCCPYSKT-INIZCTEOSA-N	-1	0	270.328	3.208	40	0		CGABRM
Cc1cc(-c2nc(C(=O)[O-])cc3c4ccccc4[nH]c32)no1	ZINC000575410777	377906774	/nfs/dbraw/zinc/90/67/74/377906774.db2.gz	GUJYTNNCIAPWOP-UHFFFAOYSA-N	-1	0	293.282	3.378	40	0		CGABRM
O=C([O-])c1cc2c(n[nH]c2C(F)(F)F)c2ccccc12	ZINC000036533680	304228766	/nfs/dbraw/zinc/22/87/66/304228766.db2.gz	ULOLQOQQOPYQIP-UHFFFAOYSA-N	-1	0	280.205	3.433	40	0		CGABRM
O=C([O-])c1ccc2nc(-c3ccc(F)cc3)oc2c1	ZINC000033420219	304254641	/nfs/dbraw/zinc/25/46/41/304254641.db2.gz	GTKZQRPVUBFICE-UHFFFAOYSA-N	-1	0	257.220	3.332	40	0		CGABRM
C[C@@H]1CCC[C@@H](C(O)(C(=O)[O-])[C@@H]2CCC[C@H](C)C2)C1	ZINC000005047881	296416319	/nfs/dbraw/zinc/41/63/19/296416319.db2.gz	SNFQLKDJWIBNQF-RQPOKHFESA-N	-1	0	268.397	3.455	40	0		CGABRM
Cc1c(C(=O)[O-])oc2c1C1(CCC2)SCCS1	ZINC000004228125	391920195	/nfs/dbraw/zinc/92/01/95/391920195.db2.gz	WKKFDPCXBMIPCR-UHFFFAOYSA-N	-1	0	270.375	3.255	40	0		CGABRM
O=C([O-])c1cc(OCc2ccc(Cl)cc2)ccc1O	ZINC000216752713	392993008	/nfs/dbraw/zinc/99/30/08/392993008.db2.gz	MCYJRWMNUJVHDT-UHFFFAOYSA-N	-1	0	278.691	3.323	40	0		CGABRM
O=C([O-])C1(CC(=O)N2CCCCC2)CCCCCCC1	ZINC000072209744	397640480	/nfs/dbraw/zinc/64/04/80/397640480.db2.gz	JZMWCCLWMZFYFL-UHFFFAOYSA-N	-1	0	281.396	3.204	40	0		CGABRM
CC(C)Oc1cccc(C(=O)c2ccccc2C(=O)[O-])c1	ZINC000003198911	169867465	/nfs/dbraw/zinc/86/74/65/169867465.db2.gz	UVKOMUPUEQUHGU-UHFFFAOYSA-N	-1	0	284.311	3.403	40	0		CGABRM
CC[C@H]1CN(C(=O)Nc2ccccc2)CC[C@H]1CC(=O)[O-]	ZINC000006137840	170178818	/nfs/dbraw/zinc/17/88/18/170178818.db2.gz	PHSFOIXXEIBPFA-STQMWFEESA-N	-1	0	290.363	3.041	40	0	biogenic,in-vitro	CGABRM
Cc1nc(N[C@H](C)c2ccccc2)sc1C(=O)[O-]	ZINC000008024759	170314594	/nfs/dbraw/zinc/31/45/94/170314594.db2.gz	KMYPHJDILMVPMU-MRVPVSSYSA-N	-1	0	262.334	3.323	40	0		CGABRM
O=C([O-])c1ccc(CNc2ccc3ncccc3c2)o1	ZINC000008702272	170347357	/nfs/dbraw/zinc/34/73/57/170347357.db2.gz	DRSSYWGXHRMNQY-UHFFFAOYSA-N	-1	0	268.272	3.138	40	0		CGABRM
COc1ccccc1-c1cc(=O)n(-c2ccccc2OC)[n-]1	ZINC000009939850	170391620	/nfs/dbraw/zinc/39/16/20/170391620.db2.gz	YYYSQINDNQXLJJ-UHFFFAOYSA-N	-1	0	296.326	3.262	40	0		CGABRM
Cc1ccc(C)c(CC(=O)Nc2ccc(C(=O)[O-])cc2)c1	ZINC000020485485	171225339	/nfs/dbraw/zinc/22/53/39/171225339.db2.gz	JSNHMJMNDKBVQE-UHFFFAOYSA-N	-1	0	283.327	3.183	40	0		CGABRM
CC(C)n1c(CCC(=O)[O-])nc2cccc(Cl)c21	ZINC000037443439	173212115	/nfs/dbraw/zinc/21/21/15/173212115.db2.gz	QLPIUIWVPJWOEM-UHFFFAOYSA-N	-1	0	266.728	3.288	40	0		CGABRM
C[C@@H](Nc1ccc(C(=O)[O-])cc1N)c1ccccc1	ZINC000037930216	173868568	/nfs/dbraw/zinc/86/85/68/173868568.db2.gz	XZQDHHVJOYFERG-SNVBAGLBSA-N	-1	0	256.305	3.140	40	0		CGABRM
COc1ccccc1N1N=C(C(=O)[O-])C[C@@H]1c1ccccc1	ZINC000071979036	176307586	/nfs/dbraw/zinc/30/75/86/176307586.db2.gz	VWLFJCJDPPHNDS-OAHLLOKOSA-N	-1	0	296.326	3.087	40	0		CGABRM
Cc1cc(Br)cc2cc(C(=O)[O-])cnc12	ZINC000036075661	301071082	/nfs/dbraw/zinc/07/10/82/301071082.db2.gz	XPCJKHGPUVIPLK-UHFFFAOYSA-N	-1	0	266.094	3.004	40	0		CGABRM
Cc1cc(C(=O)[O-])ccc1NC(=O)c1ccc(F)cc1	ZINC000013391051	301154899	/nfs/dbraw/zinc/15/48/99/301154899.db2.gz	FXCRPPGGTLVVCJ-UHFFFAOYSA-N	-1	0	273.263	3.085	40	0		CGABRM
Cc1cc(F)cc2c(Br)c(C(=O)[O-])cnc12	ZINC000085386392	301305973	/nfs/dbraw/zinc/30/59/73/301305973.db2.gz	LLBNYRVXHLXAFL-UHFFFAOYSA-N	-1	0	284.084	3.143	40	0		CGABRM
COc1cccc2c1N([C@H](C)C(=O)[O-])C(C)(C)C[C@@H]2C	ZINC000260612794	327945115	/nfs/dbraw/zinc/94/51/15/327945115.db2.gz	BCGARUXQAWHHKH-WDEREUQCSA-N	-1	0	277.364	3.261	40	0		CGABRM
CCc1ccc(NCc2ccccc2OCC(=O)[O-])cc1	ZINC000409117838	529688934	/nfs/dbraw/zinc/68/89/34/529688934.db2.gz	OPJXMSUNJBDDKS-UHFFFAOYSA-N	-1	0	285.343	3.325	40	0		CGABRM
Cc1ccc(-n2nc(C(=O)[O-])nc2-c2cccc(C)c2)cc1	ZINC000008730801	344874787	/nfs/dbraw/zinc/87/47/87/344874787.db2.gz	PLJJAXZHENRSDR-UHFFFAOYSA-N	-1	0	293.326	3.249	40	0		CGABRM
COc1ccc(N(C)c2ccc3ccc(C(=O)[O-])cn32)cc1	ZINC000104983752	186037445	/nfs/dbraw/zinc/03/74/45/186037445.db2.gz	HUOJNLQRTLLPPE-UHFFFAOYSA-N	-1	0	296.326	3.414	40	0		CGABRM
CC(C)O[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)[O-]	ZINC000225095518	189744180	/nfs/dbraw/zinc/74/41/80/189744180.db2.gz	QNIACGFGRSAPCH-LLVKDONJSA-N	-1	0	276.254	3.126	40	0		CGABRM
Nc1ccc(SCc2ccc(C(=O)[O-])cc2)cc1	ZINC000001624335	368425537	/nfs/dbraw/zinc/42/55/37/368425537.db2.gz	ZDGOFIJMCPGEJN-UHFFFAOYSA-N	-1	0	259.330	3.259	40	0		CGABRM
CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)N=C([O-])C(F)(F)F	ZINC000001255138	368406630	/nfs/dbraw/zinc/40/66/30/368406630.db2.gz	YBGMLLFVNLUNHN-IVZWLZJFSA-N	-1	0	295.301	3.262	40	0		CGABRM
COc1c(Cl)cc(Cl)c(C)c1[C@@H](C)C(=O)[O-]	ZINC000001657229	368427472	/nfs/dbraw/zinc/42/74/72/368427472.db2.gz	VBDBDHNPNBUDFG-ZCFIWIBFSA-N	-1	0	263.120	3.499	40	0		CGABRM
C[C@]1(C(=O)c2ccccc2)CC(Cl)=CC[C@H]1C(=O)[O-]	ZINC000001710451	368434177	/nfs/dbraw/zinc/43/41/77/368434177.db2.gz	SIYRMVGXNONEDG-WFASDCNBSA-N	-1	0	278.735	3.493	40	0		CGABRM
Cc1ccc(-c2nc3sccn3c2/C=C/C(=O)[O-])cc1	ZINC000002510967	368456975	/nfs/dbraw/zinc/45/69/75/368456975.db2.gz	HLGABMKAPYIIQO-VOTSOKGWSA-N	-1	0	284.340	3.469	40	0		CGABRM
Cc1nc(CCCCCCCC(=O)[O-])ccc1O	ZINC000013283763	368649476	/nfs/dbraw/zinc/64/94/76/368649476.db2.gz	XJGQLLRXSMNSRS-UHFFFAOYSA-N	-1	0	251.326	3.063	40	0		CGABRM
C[C@@H](CC(=O)[O-])CC(=O)c1ccc(F)c(Cl)c1	ZINC000015441777	368695129	/nfs/dbraw/zinc/69/51/29/368695129.db2.gz	AYJSWZIZBYHAJZ-SSDOTTSWSA-N	-1	0	258.676	3.163	40	0		CGABRM
Cc1nn(-c2cccc(C)c2C)c(C)c1CCC(=O)[O-]	ZINC000041407261	369184465	/nfs/dbraw/zinc/18/44/65/369184465.db2.gz	MFOXPULJUKWAKU-UHFFFAOYSA-N	-1	0	272.348	3.123	40	0		CGABRM
Cc1cc(SCC(=O)[O-])nc(-c2ccc(Cl)cc2)n1	ZINC000049468882	369402693	/nfs/dbraw/zinc/40/26/93/369402693.db2.gz	ATISNFCSDIAUFV-UHFFFAOYSA-N	-1	0	294.763	3.282	40	0		CGABRM
CC(C)Nc1nc(-c2ccc(Cl)cc2)ncc1C(=O)[O-]	ZINC000049469484	369403955	/nfs/dbraw/zinc/40/39/55/369403955.db2.gz	NQLIRAJXYPBRTJ-UHFFFAOYSA-N	-1	0	291.738	3.316	40	0		CGABRM
O=C([O-])c1nc(Cl)sc1-c1ccc(F)cc1	ZINC000095095463	370175061	/nfs/dbraw/zinc/17/50/61/370175061.db2.gz	SWWGPVNCGJCUFJ-UHFFFAOYSA-N	-1	0	257.673	3.301	40	0		CGABRM
O=C([O-])c1cnc2cc(Cl)c(OC(F)F)cc2c1	ZINC000095097579	370176627	/nfs/dbraw/zinc/17/66/27/370176627.db2.gz	SYERMEUHRXXBHG-UHFFFAOYSA-N	-1	0	273.622	3.188	40	0		CGABRM
O=C([O-])[C@H]1CC(=O)c2ccccc2[C@H]1c1ccccc1	ZINC000001684902	304175101	/nfs/dbraw/zinc/17/51/01/304175101.db2.gz	HUJDTNIBEIYHJK-GOEBONIOSA-N	-1	0	266.296	3.106	40	0		CGABRM
C[C@H]1CCCCN1C(=O)C[C@H](CC(=O)[O-])c1ccccc1	ZINC000217798676	376178818	/nfs/dbraw/zinc/17/88/18/376178818.db2.gz	XIQNVGUALWSPTA-DZGCQCFKSA-N	-1	0	289.375	3.036	40	0		CGABRM
CCCCO[C@@H](Cc1cccc(Cl)c1C)C(=O)[O-]	ZINC000225072669	376293885	/nfs/dbraw/zinc/29/38/85/376293885.db2.gz	HPNFTVDVAPODJC-ZDUSSCGKSA-N	-1	0	270.756	3.461	40	0		CGABRM
CCCO[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)[O-]	ZINC000225095387	376295510	/nfs/dbraw/zinc/29/55/10/376295510.db2.gz	OKWRGWMOFLPXKB-NSHDSACASA-N	-1	0	276.254	3.128	40	0		CGABRM
C[C@]1(Cc2ccccc2)Cc2cc(C(=O)[O-])ccc2O1	ZINC000257201617	377796842	/nfs/dbraw/zinc/79/68/42/377796842.db2.gz	AIIGRILPPQTJTC-KRWDZBQOSA-N	-1	0	268.312	3.321	40	0		CGABRM
O=C([O-])CSc1nc2ccc(C(F)(F)F)cc2s1	ZINC000575434125	377908901	/nfs/dbraw/zinc/90/89/01/377908901.db2.gz	LIEFBXKJLGONIL-UHFFFAOYSA-N	-1	0	293.291	3.492	40	0		CGABRM
O=C([O-])c1n[nH]c(-c2ccccc2)c1C1CCCC1	ZINC000072220439	304216152	/nfs/dbraw/zinc/21/61/52/304216152.db2.gz	QBIGCANRPMWNCV-UHFFFAOYSA-N	-1	0	256.305	3.433	40	0		CGABRM
CC[C@@H](C)n1c2ccc(Cl)cc2nc1[C@@H](O)CC(=O)[O-]	ZINC000064874431	256720977	/nfs/dbraw/zinc/72/09/77/256720977.db2.gz	QONQHZIZMVBTQO-PELKAZGASA-N	-1	0	296.754	3.169	40	0		CGABRM
CCO[P@](C)(=O)[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-]	ZINC000001643289	169731876	/nfs/dbraw/zinc/73/18/76/169731876.db2.gz	VUSTUXNUGXRMHS-RBZFPXEDSA-N	-1	0	295.275	3.108	40	0		CGABRM
O=C([O-])c1cc2sccc2c(OC[C@H]2CCCO2)c1	ZINC000072228336	392204600	/nfs/dbraw/zinc/20/46/00/392204600.db2.gz	OCJVDNHZRHZYMK-SNVBAGLBSA-N	-1	0	278.329	3.157	40	0		CGABRM
Cc1c(C(=O)[O-])sc2nc(-c3ccccc3)c(C)n12	ZINC000011757382	397604197	/nfs/dbraw/zinc/60/41/97/397604197.db2.gz	AKAXFHFORLSPBQ-UHFFFAOYSA-N	-1	0	272.329	3.378	40	0		CGABRM
COc1ccccc1C([O-])(C(F)(F)F)C(F)(F)F	ZINC000001568925	286493568	/nfs/dbraw/zinc/49/35/68/286493568.db2.gz	ZXMDOWGQAATFQD-UHFFFAOYSA-N	-1	0	274.160	3.007	40	0		CGABRM
Cc1cc(-c2ccc(Cl)cc2)nc(SCC(=O)[O-])n1	ZINC000006189365	170181600	/nfs/dbraw/zinc/18/16/00/170181600.db2.gz	QSZYFKZCFDSJLH-UHFFFAOYSA-N	-1	0	294.763	3.282	40	0		CGABRM
CCC[C@@H](Nc1ccc(Br)cc1)C(=O)[O-]	ZINC000008702805	170347380	/nfs/dbraw/zinc/34/73/80/170347380.db2.gz	TVQXABMTYLSTGE-SNVBAGLBSA-N	-1	0	272.142	3.114	40	0		CGABRM
CCC[C@@H](Nc1ccc(C)cc1Br)C(=O)[O-]	ZINC000008702825	170347690	/nfs/dbraw/zinc/34/76/90/170347690.db2.gz	YLRYCCWXYKQCHK-LLVKDONJSA-N	-1	0	286.169	3.423	40	0		CGABRM
CCC[C@H](Nc1ccc(Br)cc1F)C(=O)[O-]	ZINC000008730669	170350785	/nfs/dbraw/zinc/35/07/85/170350785.db2.gz	MQSAXPCDGKXRAM-JTQLQIEISA-N	-1	0	290.132	3.253	40	0		CGABRM
O=c1cc(-c2ccncc2)nc2cc(-c3cccs3)[n-]n21	ZINC000019344455	170776032	/nfs/dbraw/zinc/77/60/32/170776032.db2.gz	XTARSIKPZVETNK-UHFFFAOYSA-N	-1	0	294.339	3.225	40	0		CGABRM
CC(C)CC(=O)Nc1cc(C(=O)[O-])ccc1Cl	ZINC000019421142	170791979	/nfs/dbraw/zinc/79/19/79/170791979.db2.gz	OANRWXWOZIVIAQ-UHFFFAOYSA-N	-1	0	255.701	3.023	40	0		CGABRM
CC(C)CCC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1	ZINC000020136753	171024650	/nfs/dbraw/zinc/02/46/50/171024650.db2.gz	MCCZGZSRVUMLQC-UHFFFAOYSA-N	-1	0	269.728	3.413	40	0		CGABRM
Nc1ccc(OCc2ccc(F)cc2Cl)c(C(=O)[O-])c1	ZINC000037289655	173094384	/nfs/dbraw/zinc/09/43/84/173094384.db2.gz	NDYCXRCCIQYDIJ-UHFFFAOYSA-N	-1	0	295.697	3.339	40	0		CGABRM
CCCc1c(C(=O)[O-])cc(C(C)=O)n1Cc1ccccc1	ZINC000078404589	177338535	/nfs/dbraw/zinc/33/85/35/177338535.db2.gz	UTPIOPVNMUMHAA-UHFFFAOYSA-N	-1	0	285.343	3.390	40	0		CGABRM
O=C([O-])C[C@H](n1ccc(-c2ccccc2)n1)C(F)(F)F	ZINC000685936741	544109332	/nfs/dbraw/zinc/10/93/32/544109332.db2.gz	USTJIWNRBUHKKE-NSHDSACASA-N	-1	0	284.237	3.128	40	0		CGABRM
CCOc1nc2c(Br)cccc2cc1C(=O)[O-]	ZINC000685937030	544109333	/nfs/dbraw/zinc/10/93/33/544109333.db2.gz	HZMJRWALYNIJPI-UHFFFAOYSA-N	-1	0	296.120	3.094	40	0		CGABRM
CC[C@H](C(=O)[O-])N(CC)c1cc(Cl)ccc1OC	ZINC000225002316	287512312	/nfs/dbraw/zinc/51/23/12/287512312.db2.gz	MXXBHUGZWXYHSW-SNVBAGLBSA-N	-1	0	271.744	3.038	40	0		CGABRM
CC(=O)C1=C([O-])c2ccccc2C[C@H]1c1ccccc1	ZINC000024717841	278236957	/nfs/dbraw/zinc/23/69/57/278236957.db2.gz	WQZRBTLIEQUHRL-DLBZAZTESA-N	-1	0	264.324	3.414	40	0		CGABRM
Cc1cc(C)cc(OCc2nc(C(=O)[O-])cs2)c1	ZINC000036083932	301228096	/nfs/dbraw/zinc/22/80/96/301228096.db2.gz	VDLCZBWZFDQZHI-UHFFFAOYSA-N	-1	0	263.318	3.037	40	0		CGABRM
CC[C@H](OC)c1ccc(OCC(=O)[O-])c2ccccc21	ZINC000085390855	179047641	/nfs/dbraw/zinc/04/76/41/179047641.db2.gz	UTZCNCVRFLFMGV-AWEZNQCLSA-N	-1	0	274.316	3.401	40	0		CGABRM
CCc1c(C(=O)[O-])nnn1-c1ccc(-c2ccccc2)cc1	ZINC000085398210	179050681	/nfs/dbraw/zinc/05/06/81/179050681.db2.gz	XZPVSSWLCVSMJT-UHFFFAOYSA-N	-1	0	293.326	3.195	40	0		CGABRM
CC(C)(C)OC(=O)N[C@H]1C[C@]2(C(=O)[O-])CC[C@@]1(C)C2(C)C	ZINC000085398794	179051112	/nfs/dbraw/zinc/05/11/12/179051112.db2.gz	OHYNXVFOMLEBLI-JQAFLVLXSA-N	-1	0	297.395	3.181	40	0		CGABRM
O=C([O-])C1([C@@H](O)c2ccc(Cl)cc2)CCCC1	ZINC000004627551	304034743	/nfs/dbraw/zinc/03/47/43/304034743.db2.gz	WCLUAZMWFJIQKU-NSHDSACASA-N	-1	0	254.713	3.018	40	0		CGABRM
O=C([O-])Cc1ccc(-c2nc3ccccc3o2)cc1	ZINC000045923122	304088833	/nfs/dbraw/zinc/08/88/33/304088833.db2.gz	NIJFGSNJAWEWNU-UHFFFAOYSA-N	-1	0	253.257	3.122	40	0		CGABRM
Cc1ccc(C)c(C[C@H](Oc2ccccc2)C(=O)[O-])c1	ZINC000225027524	189743684	/nfs/dbraw/zinc/74/36/84/189743684.db2.gz	UUMNBMZETVXSQT-INIZCTEOSA-N	-1	0	270.328	3.378	40	0		CGABRM
COc1ccccc1O[C@H](Cc1ccccc1C)C(=O)[O-]	ZINC000225015718	189743733	/nfs/dbraw/zinc/74/37/33/189743733.db2.gz	LDRISBRGRXHVRU-MRXNPFEDSA-N	-1	0	286.327	3.078	40	0		CGABRM
Cc1ccc(NC(=O)/C(Cl)=C(\Cl)C(=O)[O-])cc1C	ZINC000001614038	368424024	/nfs/dbraw/zinc/42/40/24/368424024.db2.gz	JKAXLPNQHKHUAO-MDZDMXLPSA-N	-1	0	288.130	3.016	40	0		CGABRM
O=C([O-])c1cccc(OCCCOc2ccccc2)c1	ZINC000001749236	368437978	/nfs/dbraw/zinc/43/79/78/368437978.db2.gz	FWGLVFVPESFWBW-UHFFFAOYSA-N	-1	0	272.300	3.233	40	0		CGABRM
C[C@@H]1CC[C@H]([C@](O)(C(=O)[O-])C2CCCCC2)C[C@@H]1C	ZINC000005047861	368561580	/nfs/dbraw/zinc/56/15/80/368561580.db2.gz	JQCVRXQKGQZFHH-DSPQJCBJSA-N	-1	0	268.397	3.455	40	0		CGABRM
CCOc1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2)cc1	ZINC000004201465	368536441	/nfs/dbraw/zinc/53/64/41/368536441.db2.gz	CMWYLULDEYAKAK-UHFFFAOYSA-N	-1	0	285.299	3.036	40	0		CGABRM
COc1ccc(C(=O)Nc2ccc([S-])cc2)cc1	ZINC000016216354	368710226	/nfs/dbraw/zinc/71/02/26/368710226.db2.gz	SROUFSRLNWYQHI-UHFFFAOYSA-N	-1	0	259.330	3.236	40	0		CGABRM
CC(=O)c1c([O-])cc(C)n(-c2cc(Cl)ccc2C)c1=O	ZINC000016769674	368721236	/nfs/dbraw/zinc/72/12/36/368721236.db2.gz	XQPNIOSTDLSRQH-UHFFFAOYSA-N	-1	0	291.734	3.016	40	0		CGABRM
CC(C)(C)C(=O)Nc1cccc(Cl)c1C(=O)[O-]	ZINC000082314862	370001264	/nfs/dbraw/zinc/00/12/64/370001264.db2.gz	RUQHTYUKOXBWGK-UHFFFAOYSA-N	-1	0	255.701	3.023	40	0		CGABRM
CC(C)CC1(COc2ccc(C(=O)[O-])cn2)CCC1	ZINC000095093870	370174943	/nfs/dbraw/zinc/17/49/43/370174943.db2.gz	KODZSRUKICQPMH-UHFFFAOYSA-N	-1	0	263.337	3.375	40	0		CGABRM
Cc1ccc2[nH]cc([C@@H](C(=O)[O-])C(F)(F)F)c2c1	ZINC000098213594	370269400	/nfs/dbraw/zinc/26/94/00/370269400.db2.gz	LKHIMJBMQONIHF-JTQLQIEISA-N	-1	0	257.211	3.207	40	0		CGABRM
CC[C@@H](C)n1ccc(NCc2ccccc2C(=O)[O-])n1	ZINC000256051157	190003525	/nfs/dbraw/zinc/00/35/25/190003525.db2.gz	HZOIRSAASRVDPC-LLVKDONJSA-N	-1	0	273.336	3.164	40	0		CGABRM
CC(C)c1ccc(O)c(C(=O)Nc2ccc(C(=O)[O-])cc2)c1	ZINC000257240966	190018397	/nfs/dbraw/zinc/01/83/97/190018397.db2.gz	HVZOAZLOGWQYLN-UHFFFAOYSA-N	-1	0	299.326	3.466	40	0		CGABRM
Fc1cc(OC(F)(F)F)cc2[nH]c(Cl)nc21	ZINC000258840195	190038162	/nfs/dbraw/zinc/03/81/62/190038162.db2.gz	ZEWRBTGNPLIMNW-UHFFFAOYSA-N	-1	0	254.570	3.254	40	0		CGABRM
Cc1cccc(NC(=O)COc2c(C)cccc2C(=O)[O-])c1	ZINC000217720415	376179210	/nfs/dbraw/zinc/17/92/10/376179210.db2.gz	FJGHWFHVXBHQRV-UHFFFAOYSA-N	-1	0	299.326	3.019	40	0		CGABRM
O=C([O-])c1ccc(Cc2ccco2)n1Cc1ccccc1	ZINC000226031689	376339629	/nfs/dbraw/zinc/33/96/29/376339629.db2.gz	KZWRZNNBQMBUGP-UHFFFAOYSA-N	-1	0	281.311	3.418	40	0		CGABRM
CC[C@@H](C(=O)[O-])N(CC)c1cccc(Cl)c1C	ZINC000224991412	376290511	/nfs/dbraw/zinc/29/05/11/376290511.db2.gz	QNYMYLNERFQOPW-NSHDSACASA-N	-1	0	255.745	3.338	40	0		CGABRM
CCN(CCCC(=O)[O-])c1ccc(C)c(Cl)c1	ZINC000224993073	376292013	/nfs/dbraw/zinc/29/20/13/376292013.db2.gz	ZRYJEPQJUBVWMZ-UHFFFAOYSA-N	-1	0	255.745	3.340	40	0		CGABRM
CCCCO[C@@H](Cc1ccc(C)c(Cl)c1)C(=O)[O-]	ZINC000225081536	376294967	/nfs/dbraw/zinc/29/49/67/376294967.db2.gz	PAZNYYFYGRQLNX-ZDUSSCGKSA-N	-1	0	270.756	3.461	40	0		CGABRM
CCc1ccccc1[N-]S(=O)(=O)c1ccc(F)s1	ZINC000225387071	376306144	/nfs/dbraw/zinc/30/61/44/376306144.db2.gz	JRJPSZSMMAIGCJ-UHFFFAOYSA-N	-1	0	285.365	3.250	40	0		CGABRM
O=C([O-])[C@@H](c1c[nH]c2cccc(F)c21)C(F)(F)F	ZINC000255187944	377740604	/nfs/dbraw/zinc/74/06/04/377740604.db2.gz	HUXJTBCPXISCFM-SECBINFHSA-N	-1	0	261.174	3.038	40	0		CGABRM
O=C([O-])c1cc(-c2cccc(C(F)(F)F)c2)on1	ZINC000071980941	304219249	/nfs/dbraw/zinc/21/92/49/304219249.db2.gz	GHZGFZXDUYXVEW-UHFFFAOYSA-N	-1	0	257.167	3.059	40	0		CGABRM
CCOc1ccc(Nc2ccc(C(=O)[O-])cc2N)cc1	ZINC000000258615	169589599	/nfs/dbraw/zinc/58/95/99/169589599.db2.gz	SQLQSMHRTKODPA-UHFFFAOYSA-N	-1	0	272.304	3.109	40	0		CGABRM
O=C([O-])C1(c2cc(-c3ccc(F)cc3)on2)CCCC1	ZINC000072220621	256706713	/nfs/dbraw/zinc/70/67/13/256706713.db2.gz	NCEQVYRGMBICAR-UHFFFAOYSA-N	-1	0	275.279	3.377	40	0		CGABRM
O=C([O-])c1sc2cc3c(cc2c1Cl)OCCO3	ZINC000004206669	304285700	/nfs/dbraw/zinc/28/57/00/304285700.db2.gz	YANVGPUCJYUCGY-UHFFFAOYSA-N	-1	0	270.693	3.024	40	0		CGABRM
CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)N=C([O-])C(F)(F)F	ZINC000004270007	391920721	/nfs/dbraw/zinc/92/07/21/391920721.db2.gz	YBGMLLFVNLUNHN-LPEHRKFASA-N	-1	0	295.301	3.262	40	0		CGABRM
O=C([O-])c1csc(N(CC2CCC2)CC2CCC2)n1	ZINC000096528829	392258655	/nfs/dbraw/zinc/25/86/55/392258655.db2.gz	XDHNRFPEDWFJBW-UHFFFAOYSA-N	-1	0	280.393	3.248	40	0		CGABRM
O=C([O-])c1cn(Cc2ccccc2Cl)nc1C(F)F	ZINC000408717704	392973030	/nfs/dbraw/zinc/97/30/30/392973030.db2.gz	PCUOJLLZJBBISR-UHFFFAOYSA-N	-1	0	286.665	3.221	40	0		CGABRM
O=C([O-])c1ccc(OCc2ccc(Cl)cc2)cc1O	ZINC000216754744	392992629	/nfs/dbraw/zinc/99/26/29/392992629.db2.gz	JPEZENBBZMQPLX-UHFFFAOYSA-N	-1	0	278.691	3.323	40	0		CGABRM
C[C@@]12CCC[C@](C)(C(=O)[O-])[C@@H]1CCc1cc(O)ccc12	ZINC000004742594	170009787	/nfs/dbraw/zinc/00/97/87/170009787.db2.gz	DWHTYLMRWXUGJL-PVAVHDDUSA-N	-1	0	274.360	3.487	40	0		CGABRM
Cc1cccc(OCC(=O)Nc2ccc(C(=O)[O-])cc2)c1C	ZINC000005748114	170136610	/nfs/dbraw/zinc/13/66/10/170136610.db2.gz	FPTRCUNAVZGEDE-UHFFFAOYSA-N	-1	0	299.326	3.019	40	0		CGABRM
COP(=O)(OC)/C(=C\c1c[nH]c2ccccc12)C(=O)[O-]	ZINC000008665455	170344630	/nfs/dbraw/zinc/34/46/30/170344630.db2.gz	RSZCOKNQGBVIPH-GHXNOFRVSA-N	-1	0	295.231	3.079	40	0		CGABRM
Cc1ccc(C(=O)[O-])cc1NC(=O)C(Cl)(Cl)Cl	ZINC000020136927	171024789	/nfs/dbraw/zinc/02/47/89/171024789.db2.gz	FJZRIBCYHKZCNB-UHFFFAOYSA-N	-1	0	296.537	3.002	40	0		CGABRM
CCOc1ccc(-c2cc(O)ccc2C(=O)[O-])cc1	ZINC000071404994	176155187	/nfs/dbraw/zinc/15/51/87/176155187.db2.gz	JBEQPGTUQQZONA-UHFFFAOYSA-N	-1	0	258.273	3.156	40	0		CGABRM
Cc1cc(C)cc(C(=O)Nc2cccc(C(=O)[O-])c2)c1	ZINC000013094528	301220698	/nfs/dbraw/zinc/22/06/98/301220698.db2.gz	NYVPUBORXMFBHZ-UHFFFAOYSA-N	-1	0	269.300	3.254	40	0		CGABRM
Nc1cc2nc(-c3ccc(Cl)cc3)oc2c(C(=O)[O-])c1	ZINC000073641920	303494566	/nfs/dbraw/zinc/49/45/66/303494566.db2.gz	ZMBSQWRSGDDEFA-UHFFFAOYSA-N	-1	0	288.690	3.429	40	0		CGABRM
CCN(c1ccc(Cl)c(Cl)c1)[C@H](C)C(=O)[O-]	ZINC000260680934	328010393	/nfs/dbraw/zinc/01/03/93/328010393.db2.gz	YNTIDICTCBBCNN-SSDOTTSWSA-N	-1	0	262.136	3.293	40	0		CGABRM
CC(=O)Nc1cc(Cl)ccc1-c1ccc(C(=O)[O-])o1	ZINC000226351764	534694247	/nfs/dbraw/zinc/69/42/47/534694247.db2.gz	XSHLOKQUALUUGK-UHFFFAOYSA-N	-1	0	279.679	3.257	40	0		CGABRM
COc1cccc(-c2cc(=O)n(-c3ccc(C)cc3C)[n-]2)c1	ZINC000390822708	566984281	/nfs/dbraw/zinc/98/42/81/566984281.db2.gz	HLOKHVMXEMKDGB-UHFFFAOYSA-N	-1	0	294.354	3.453	40	0		CGABRM
O=C([O-])c1cccc2c1N(C(=O)OCc1ccccc1)CC2	ZINC000199534518	567049496	/nfs/dbraw/zinc/04/94/96/567049496.db2.gz	OTNILCFFPMREJD-UHFFFAOYSA-N	-1	0	297.310	3.084	40	0		CGABRM
Cc1ncc(Cl)cc1NCc1ccc(C(=O)[O-])s1	ZINC000143935558	346115920	/nfs/dbraw/zinc/11/59/20/346115920.db2.gz	JNWKYGDFHVZHGQ-UHFFFAOYSA-N	-1	0	282.752	3.415	40	0		CGABRM
O=C([O-])CCc1ccc(OCc2ccccc2F)cc1	ZINC000107715982	186187976	/nfs/dbraw/zinc/18/79/76/186187976.db2.gz	CEGUNPCYKVMODO-UHFFFAOYSA-N	-1	0	274.291	3.422	40	0		CGABRM
Nc1ccc2c(c1)[C@@H]([N-]C(=O)C(F)(F)F)c1ccccc1-2	ZINC000001688057	283672850	/nfs/dbraw/zinc/67/28/50/283672850.db2.gz	HZGSPOJGYCNQGM-ZDUSSCGKSA-N	-1	0	292.260	3.017	40	0		CGABRM
Cc1nc(OCc2ccccc2Cl)c(C(=O)[O-])s1	ZINC000218268599	189714134	/nfs/dbraw/zinc/71/41/34/189714134.db2.gz	IXCJOBVIMDDPDH-UHFFFAOYSA-N	-1	0	283.736	3.382	40	0		CGABRM
CCCO[C@H](Cc1ccc(C(C)C)cc1)C(=O)[O-]	ZINC000225047117	189743628	/nfs/dbraw/zinc/74/36/28/189743628.db2.gz	MFNVFBIWJPKSPF-CQSZACIVSA-N	-1	0	250.338	3.232	40	0		CGABRM
Cc1ccc(C)c(C[C@@H](Oc2ccccc2)C(=O)[O-])c1	ZINC000225027482	189743830	/nfs/dbraw/zinc/74/38/30/189743830.db2.gz	UUMNBMZETVXSQT-MRXNPFEDSA-N	-1	0	270.328	3.378	40	0		CGABRM
Cc1ccc(C[C@H](OC(C)C)C(=O)[O-])cc1Cl	ZINC000225081484	189743927	/nfs/dbraw/zinc/74/39/27/189743927.db2.gz	LURRLMAWUAIRJO-LBPRGKRZSA-N	-1	0	256.729	3.069	40	0		CGABRM
COc1ccc(Cl)cc1C[C@@H](OCC(C)C)C(=O)[O-]	ZINC000225122064	189744646	/nfs/dbraw/zinc/74/46/46/189744646.db2.gz	BLBOAVMLHNBEAW-CYBMUJFWSA-N	-1	0	286.755	3.017	40	0		CGABRM
COc1cccc(CSc2ncccc2C(=O)[O-])c1	ZINC000000415198	368360768	/nfs/dbraw/zinc/36/07/68/368360768.db2.gz	YWAQFUUHIDYNCK-UHFFFAOYSA-N	-1	0	275.329	3.081	40	0		CGABRM
O=C([O-])C1=C(C(=O)Nc2ccc(F)c(Cl)c2)CCCC1	ZINC000000807004	368395859	/nfs/dbraw/zinc/39/58/59/368395859.db2.gz	RNYDOGSFPHFTFC-UHFFFAOYSA-N	-1	0	297.713	3.373	40	0		CGABRM
[O-]C(=CC(O)(C(F)(F)F)C(F)(F)F)c1cccs1	ZINC000001614816	368423286	/nfs/dbraw/zinc/42/32/86/368423286.db2.gz	XYURDMMAZIHRCO-UHFFFAOYSA-N	-1	0	292.200	3.177	40	0		CGABRM
O=C([O-])[C@@H](C1CCCCC1)C1(O)CCCCCC1	ZINC000002048684	368446169	/nfs/dbraw/zinc/44/61/69/368446169.db2.gz	XQOUFQTXPZMJTR-CYBMUJFWSA-N	-1	0	254.370	3.353	40	0		CGABRM
O=C([O-])[C@H](Cc1cccs1)C(=O)OCC1CCCCC1	ZINC000001671232	368429269	/nfs/dbraw/zinc/42/92/69/368429269.db2.gz	ZNWOWNPXVFXFIA-ZDUSSCGKSA-N	-1	0	296.388	3.115	40	0		CGABRM
O=C([O-])Cc1c[nH]c2c1cccc2OCc1ccccc1	ZINC000002539033	368461753	/nfs/dbraw/zinc/46/17/53/368461753.db2.gz	KSIFIILTKLDEJS-UHFFFAOYSA-N	-1	0	281.311	3.374	40	0		CGABRM
Cc1nc(NC2CCCCCC2)sc1C(=O)[O-]	ZINC000020156526	368804942	/nfs/dbraw/zinc/80/49/42/368804942.db2.gz	QVUKJJAXSAHNIM-UHFFFAOYSA-N	-1	0	254.355	3.284	40	0		CGABRM
COc1ccc(/C(=C/c2cccc(C)n2)C(=O)[O-])cc1	ZINC000030728975	368906063	/nfs/dbraw/zinc/90/60/63/368906063.db2.gz	DXKRVBFWTXQSNQ-GDNBJRDFSA-N	-1	0	269.300	3.024	40	0	in-vitro	CGABRM
CC1(C)/C(=C\Br)[C@@]2(C(=O)[O-])CC[C@@H]1C2	ZINC000033442645	368965458	/nfs/dbraw/zinc/96/54/58/368965458.db2.gz	RXUSDPSEVZZPPA-DFTPEKITSA-N	-1	0	259.143	3.176	40	0		CGABRM
Nc1cc(-c2cccc3[nH]ccc32)ccc1C(=O)[O-]	ZINC000036294169	369015500	/nfs/dbraw/zinc/01/55/00/369015500.db2.gz	UWHWXHSMADOJLM-UHFFFAOYSA-N	-1	0	252.273	3.115	40	0		CGABRM
COc1ccc(Cl)cc1Nc1ccc(N)cc1C(=O)[O-]	ZINC000037930404	369125923	/nfs/dbraw/zinc/12/59/23/369125923.db2.gz	KZAXMFFUCRLURJ-UHFFFAOYSA-N	-1	0	292.722	3.373	40	0		CGABRM
O=C([O-])[C@H](c1c[nH]c2c1cccc2F)C(F)(F)F	ZINC000098213616	370269438	/nfs/dbraw/zinc/26/94/38/370269438.db2.gz	VMPBLMCUUWLLQT-QMMMGPOBSA-N	-1	0	261.174	3.038	40	0		CGABRM
CCN(CCCC(=O)[O-])c1ccc(Cl)cc1C	ZINC000224991944	376290466	/nfs/dbraw/zinc/29/04/66/376290466.db2.gz	HASLCTWOCBZADV-UHFFFAOYSA-N	-1	0	255.745	3.340	40	0		CGABRM
CN(CCCC(=O)[O-])c1cccc(C(F)(F)F)c1	ZINC000224996128	376291930	/nfs/dbraw/zinc/29/19/30/376291930.db2.gz	QARPHNQOGZTCBC-UHFFFAOYSA-N	-1	0	261.243	3.006	40	0		CGABRM
COc1ccc(O[C@@H](Cc2ccccc2C)C(=O)[O-])cc1	ZINC000225015883	376292077	/nfs/dbraw/zinc/29/20/77/376292077.db2.gz	LIZKJSMVIFBINI-INIZCTEOSA-N	-1	0	286.327	3.078	40	0		CGABRM
CCN(CC(=O)[O-])c1ccc(Oc2ccccc2)cc1	ZINC000224999498	376292281	/nfs/dbraw/zinc/29/22/81/376292281.db2.gz	KQGJCGJWQCABSB-UHFFFAOYSA-N	-1	0	271.316	3.390	40	0		CGABRM
CCCCO[C@@H](Cc1ccc(C)c(C)c1)C(=O)[O-]	ZINC000225035564	376293483	/nfs/dbraw/zinc/29/34/83/376293483.db2.gz	CCJMBKDRTBGYIL-AWEZNQCLSA-N	-1	0	250.338	3.116	40	0		CGABRM
CCOc1ccccc1C[C@H](Oc1ccccc1)C(=O)[O-]	ZINC000225103624	376294445	/nfs/dbraw/zinc/29/44/45/376294445.db2.gz	UEEYOOANXFBLJV-INIZCTEOSA-N	-1	0	286.327	3.160	40	0		CGABRM
CC(C)CO[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)[O-]	ZINC000225095711	376295264	/nfs/dbraw/zinc/29/52/64/376295264.db2.gz	PMWQPKDJJWDEMA-GFCCVEGCSA-N	-1	0	290.281	3.374	40	0		CGABRM
O=c1c(Br)c(C(F)F)[n-]c2ccncc12	ZINC000242538738	376781421	/nfs/dbraw/zinc/78/14/21/376781421.db2.gz	JDSYMHUVHPJWCV-UHFFFAOYSA-N	-1	0	275.052	3.036	40	0		CGABRM
O=C([O-])C[C@H](Cc1nc2ccccc2o1)C(F)(F)F	ZINC000575425796	377907837	/nfs/dbraw/zinc/90/78/37/377907837.db2.gz	WXBTVRNKXOVKQQ-ZETCQYMHSA-N	-1	0	273.210	3.024	40	0		CGABRM
Cc1cccc(NCc2ccccc2OCC(=O)[O-])c1C	ZINC000409114708	380027587	/nfs/dbraw/zinc/02/75/87/380027587.db2.gz	PVWAGJXBFPUUJW-UHFFFAOYSA-N	-1	0	285.343	3.379	40	0		CGABRM
O=C([O-])c1ccc(Br)c(Cl)c1Cl	ZINC000067802816	304232880	/nfs/dbraw/zinc/23/28/80/304232880.db2.gz	DLGSXLUJGRIHID-UHFFFAOYSA-N	-1	0	269.909	3.454	40	0		CGABRM
CCCCOc1cc2oc(=O)c(C(=O)[O-])cc2cc1Cl	ZINC000072219777	256707708	/nfs/dbraw/zinc/70/77/08/256707708.db2.gz	VCTAGKLACODXQE-UHFFFAOYSA-N	-1	0	296.706	3.324	40	0		CGABRM
O=C([O-])c1ccccc1COCCc1ccccc1	ZINC000035415266	391974433	/nfs/dbraw/zinc/97/44/33/391974433.db2.gz	FMZXHRJRXZFKEZ-UHFFFAOYSA-N	-1	0	256.301	3.144	40	0		CGABRM
Cc1cccc(N2N=C(C(=O)[O-])C[C@H]2c2ccccc2)c1	ZINC000071979045	392194728	/nfs/dbraw/zinc/19/47/28/392194728.db2.gz	ZAOXIMMLOTVZSD-INIZCTEOSA-N	-1	0	280.327	3.387	40	0		CGABRM
CCCCOc1ccc(-c2cnc(C(=O)[O-])o2)cc1	ZINC000072219856	392201983	/nfs/dbraw/zinc/20/19/83/392201983.db2.gz	SNXBWPCJYIMYFH-UHFFFAOYSA-N	-1	0	261.277	3.219	40	0		CGABRM
[O-]c1c(F)c(Br)ccc1C(F)(F)F	ZINC000090413560	304844299	/nfs/dbraw/zinc/84/42/99/304844299.db2.gz	JXXPBPTZTIQMCN-UHFFFAOYSA-N	-1	0	258.996	3.313	40	0		CGABRM
O=C([O-])c1ccccc1C(=O)c1ccc2ccccc2n1	ZINC000003101752	169855473	/nfs/dbraw/zinc/85/54/73/169855473.db2.gz	RVGWAVZJSUPWRY-UHFFFAOYSA-N	-1	0	277.279	3.164	40	0		CGABRM
O=C([O-])c1ccccc1C(=O)NC1CCCCCCC1	ZINC000005583644	170116314	/nfs/dbraw/zinc/11/63/14/170116314.db2.gz	QVCRRPUFXLKGKG-UHFFFAOYSA-N	-1	0	275.348	3.228	40	0		CGABRM
O=C([O-])c1ccc(N2C(=O)CS[C@H]2c2ccccc2)cc1	ZINC000005604381	170118797	/nfs/dbraw/zinc/11/87/97/170118797.db2.gz	CMPFDOJJDYLCNV-HNNXBMFYSA-N	-1	0	299.351	3.163	40	0		CGABRM
CCc1cccc(C)c1NCc1ccc(C(=O)[O-])o1	ZINC000008702245	170347363	/nfs/dbraw/zinc/34/73/63/170347363.db2.gz	FSRKEDWESHVTQY-UHFFFAOYSA-N	-1	0	259.305	3.461	40	0		CGABRM
CCOc1ccccc1OCc1cccc(C(=O)[O-])c1	ZINC000008729638	170350280	/nfs/dbraw/zinc/35/02/80/170350280.db2.gz	FEARWHNZYGICJQ-UHFFFAOYSA-N	-1	0	272.300	3.363	40	0		CGABRM
CC(C)CC(=O)Nc1ccccc1S[C@H](C)C(=O)[O-]	ZINC000008732853	170351618	/nfs/dbraw/zinc/35/16/18/170351618.db2.gz	YXYILLYRYUDJJN-SNVBAGLBSA-N	-1	0	281.377	3.236	40	0		CGABRM
CCCC(=O)Nc1cc(C(=O)[O-])c(Cl)cc1Cl	ZINC000020136504	171023659	/nfs/dbraw/zinc/02/36/59/171023659.db2.gz	JOSPVEPPHXHODX-UHFFFAOYSA-N	-1	0	276.119	3.430	40	0		CGABRM
CC(C)(C)C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1	ZINC000020136877	171024678	/nfs/dbraw/zinc/02/46/78/171024678.db2.gz	OUNJTBWCTIYWIN-UHFFFAOYSA-N	-1	0	255.701	3.023	40	0		CGABRM
COc1cccc2c1cc(C(=O)[O-])n2Cc1ccccc1	ZINC000071976866	176306935	/nfs/dbraw/zinc/30/69/35/176306935.db2.gz	BDHGXFNOQCPBBZ-UHFFFAOYSA-N	-1	0	281.311	3.396	40	0		CGABRM
CCOc1nc2ccc(C(F)(F)F)cc2cc1C(=O)[O-]	ZINC000685936951	544109410	/nfs/dbraw/zinc/10/94/10/544109410.db2.gz	GHDOUKINJZKMRI-UHFFFAOYSA-N	-1	0	285.221	3.351	40	0		CGABRM
CC(C)(C)OC(=O)N(Cc1cccc(C(=O)[O-])c1)C1CC1	ZINC000685936957	544109537	/nfs/dbraw/zinc/10/95/37/544109537.db2.gz	DPOLFLNYSORBJA-UHFFFAOYSA-N	-1	0	291.347	3.284	40	0		CGABRM
Cc1ccc([C@@H]2C[C@@]23C(=O)Nc2ccc(C(=O)[O-])cc23)cc1	ZINC000217477710	301760319	/nfs/dbraw/zinc/76/03/19/301760319.db2.gz	UTZMVLOFPLAMAF-KSSFIOAISA-N	-1	0	293.322	3.071	40	0		CGABRM
O=C([O-])c1ccccc1OC(=O)CCC1CCCC1	ZINC000001758504	326795352	/nfs/dbraw/zinc/79/53/52/326795352.db2.gz	BHRIVOGBTTWCHE-UHFFFAOYSA-N	-1	0	262.305	3.261	40	0		CGABRM
CC[C@H](C(=O)[O-])n1c2ccccc2nc1CC(C)C	ZINC000033757012	326900987	/nfs/dbraw/zinc/90/09/87/326900987.db2.gz	MUPPTNNOQISPSO-GFCCVEGCSA-N	-1	0	260.337	3.271	40	0		CGABRM
CCOC(=O)C=C([O-])c1ccccc1-c1ccccc1	ZINC000095728844	185022213	/nfs/dbraw/zinc/02/22/13/185022213.db2.gz	ICVPIMBNKIXKHI-UHFFFAOYSA-N	-1	0	268.312	3.490	40	0		CGABRM
Cc1cccc(-c2nc([N-]c3nc(C)cc(C)n3)no2)c1	ZINC000008559017	344874279	/nfs/dbraw/zinc/87/42/79/344874279.db2.gz	OWRYDTZRVQTUMV-UHFFFAOYSA-N	-1	0	281.319	3.195	40	0		CGABRM
CC(C)Cc1c([O-])c2cc(Cl)ccc2[nH]c1=O	ZINC000034429171	344939833	/nfs/dbraw/zinc/93/98/33/344939833.db2.gz	KPARBQZODQESBM-UHFFFAOYSA-N	-1	0	251.713	3.086	40	0		CGABRM
CCOc1ccc(-c2csc(C)n2)cc1C(=O)[O-]	ZINC000085397490	179050166	/nfs/dbraw/zinc/05/01/66/179050166.db2.gz	TVVFVYLUIKNLDN-UHFFFAOYSA-N	-1	0	263.318	3.215	40	0		CGABRM
Nc1c(C(=O)[O-])nc2ccccc2c1-c1ccccc1	ZINC000257198165	346399723	/nfs/dbraw/zinc/39/97/23/346399723.db2.gz	VDDYOIFONXSSBM-UHFFFAOYSA-N	-1	0	264.284	3.182	40	0		CGABRM
COc1ccc(C(F)(F)C23CC(C(=O)[O-])(C2)C3)cc1OC	ZINC000575624134	346669990	/nfs/dbraw/zinc/66/99/90/346669990.db2.gz	KBTSPSCUTLSQGD-UHFFFAOYSA-N	-1	0	298.285	3.051	40	0		CGABRM
CC(C)CO[C@@H](Cc1ccc(C(C)C)cc1)C(=O)[O-]	ZINC000225047355	189743687	/nfs/dbraw/zinc/74/36/87/189743687.db2.gz	CUAYJMXDXSSCEA-HNNXBMFYSA-N	-1	0	264.365	3.478	40	0		CGABRM
O=C([O-])CCCn1ccc(-c2ccc(Cl)cc2)n1	ZINC000002571495	368466440	/nfs/dbraw/zinc/46/64/40/368466440.db2.gz	AHTBSXHHYFTNDW-UHFFFAOYSA-N	-1	0	264.712	3.068	40	0		CGABRM
C[C@H](Oc1ccc(F)cc1)c1ccc(C(=O)[O-])o1	ZINC000011891947	368598513	/nfs/dbraw/zinc/59/85/13/368598513.db2.gz	JHLQRYOOKKHALO-QMMMGPOBSA-N	-1	0	250.225	3.257	40	0		CGABRM
O=C([O-])[C@@H](Sc1n[nH]c2c1CCCC2)c1ccccc1	ZINC000016477139	368713798	/nfs/dbraw/zinc/71/37/98/368713798.db2.gz	AOXLVXUJHGBLFC-ZDUSSCGKSA-N	-1	0	288.372	3.207	40	0		CGABRM
COc1c(Cl)cc(Cl)c(C)c1[C@H](C)C(=O)[O-]	ZINC000017379869	368733438	/nfs/dbraw/zinc/73/34/38/368733438.db2.gz	VBDBDHNPNBUDFG-LURJTMIESA-N	-1	0	263.120	3.499	40	0		CGABRM
C[C@@H]1CCCN(c2ccc(C(=O)[O-])cc2Br)C1	ZINC000039952472	369151626	/nfs/dbraw/zinc/15/16/26/369151626.db2.gz	VKBVRCPGRKIKKT-SECBINFHSA-N	-1	0	298.180	3.384	40	0		CGABRM
O=C([O-])CCOc1ccc2c(c1)[nH]c1ccccc12	ZINC000068605532	369745605	/nfs/dbraw/zinc/74/56/05/369745605.db2.gz	OSNVDPUTMHAXKC-UHFFFAOYSA-N	-1	0	255.273	3.175	40	0		CGABRM
Cc1cc(OCc2ncc(C(=O)[O-])c(C)n2)ccc1Cl	ZINC000217398266	376175164	/nfs/dbraw/zinc/17/51/64/376175164.db2.gz	ZJDLYRCNHXTTHE-UHFFFAOYSA-N	-1	0	292.722	3.024	40	0		CGABRM
Cc1cccc(O[C@@H](Cc2ccccc2)C(=O)[O-])c1	ZINC000225013172	376292131	/nfs/dbraw/zinc/29/21/31/376292131.db2.gz	ICVAGLUQBBDWBK-HNNXBMFYSA-N	-1	0	256.301	3.070	40	0		CGABRM
CCCCO[C@@H](Cc1cc(Cl)ccc1C)C(=O)[O-]	ZINC000225078798	376294465	/nfs/dbraw/zinc/29/44/65/376294465.db2.gz	PRSDGDSUCZPBHQ-ZDUSSCGKSA-N	-1	0	270.756	3.461	40	0		CGABRM
CCCO[C@H](Cc1ccc(C)c(Cl)c1)C(=O)[O-]	ZINC000225081392	376295204	/nfs/dbraw/zinc/29/52/04/376295204.db2.gz	DPWWAFXLVOEBSM-GFCCVEGCSA-N	-1	0	256.729	3.071	40	0		CGABRM
CC(C)C(=O)Nc1cc(C(=O)[O-])cc(Cl)c1Cl	ZINC000226354368	376355138	/nfs/dbraw/zinc/35/51/38/376355138.db2.gz	IJTGTJJPEOQUHP-UHFFFAOYSA-N	-1	0	276.119	3.286	40	0		CGABRM
O=C([O-])c1c(Br)sc2c1CCCC2	ZINC000003064491	304216793	/nfs/dbraw/zinc/21/67/93/304216793.db2.gz	MRHCHEZVUNHHBL-UHFFFAOYSA-N	-1	0	261.140	3.088	40	0		CGABRM
O=C([O-])c1cc(C(F)(F)F)nc2cccc(F)c21	ZINC000096171876	304223970	/nfs/dbraw/zinc/22/39/70/304223970.db2.gz	UWZZHKFUSWYYIX-UHFFFAOYSA-N	-1	0	259.158	3.091	40	0		CGABRM
O=C([O-])c1ccccc1C(=O)O[C@H]1C[C@@H]2CC[C@]23CC[C@H]13	ZINC000005031264	304267278	/nfs/dbraw/zinc/26/72/78/304267278.db2.gz	XRSKZGAGTGEUHF-ADTUEAJISA-N	-1	0	286.327	3.120	40	0		CGABRM
O=C([O-])c1ccccc1C(=O)O[C@@H]1C[C@@H]2CC[C@]23CC[C@H]13	ZINC000005031261	304267429	/nfs/dbraw/zinc/26/74/29/304267429.db2.gz	XRSKZGAGTGEUHF-YYGKBEQOSA-N	-1	0	286.327	3.120	40	0		CGABRM
CC(C)c1cccc(C(C)C)c1OCOP(=O)([O-])[O-]	ZINC000002519740	391915527	/nfs/dbraw/zinc/91/55/27/391915527.db2.gz	QVNNONOFASOXQV-UHFFFAOYSA-N	-1	0	288.280	3.379	40	0	fda	CGABRM
O=C([O-])c1cc2sccc2c(OC[C@@H]2CCCO2)c1	ZINC000072228335	392204801	/nfs/dbraw/zinc/20/48/01/392204801.db2.gz	OCJVDNHZRHZYMK-JTQLQIEISA-N	-1	0	278.329	3.157	40	0		CGABRM
CCCOc1ccc(C(=O)Nc2cccc(C(=O)[O-])c2)cc1	ZINC000004201483	169943284	/nfs/dbraw/zinc/94/32/84/169943284.db2.gz	QTCBTSZNNBPOKU-UHFFFAOYSA-N	-1	0	299.326	3.426	40	0		CGABRM
Cc1nc(NCc2ccc(Cl)cc2)sc1C(=O)[O-]	ZINC000008018743	170314020	/nfs/dbraw/zinc/31/40/20/170314020.db2.gz	FLAFEYWGKMPXIH-UHFFFAOYSA-N	-1	0	282.752	3.415	40	0		CGABRM
CCC[C@H](Nc1ccc(Br)cc1)C(=O)[O-]	ZINC000008702804	170347687	/nfs/dbraw/zinc/34/76/87/170347687.db2.gz	TVQXABMTYLSTGE-JTQLQIEISA-N	-1	0	272.142	3.114	40	0		CGABRM
O=c1cc(CSc2ccccn2)[n-]n1-c1ccccc1	ZINC000010157321	170399010	/nfs/dbraw/zinc/39/90/10/170399010.db2.gz	IBEOTKWIEJCVSC-UHFFFAOYSA-N	-1	0	283.356	3.265	40	0		CGABRM
O=C([O-])c1ccccc1-c1nc(-c2cccs2)no1	ZINC000020593811	171263495	/nfs/dbraw/zinc/26/34/95/171263495.db2.gz	LYRXHLCGMMCMFK-UHFFFAOYSA-N	-1	0	272.285	3.163	40	0		CGABRM
COc1cc(NC(=O)C(C)(C)C)c(Cl)cc1C(=O)[O-]	ZINC000035161254	172020500	/nfs/dbraw/zinc/02/05/00/172020500.db2.gz	GEJFPVNNMYUXRJ-UHFFFAOYSA-N	-1	0	285.727	3.031	40	0		CGABRM
O=C([O-])/C=C/c1ccc(OCc2cccnc2)c(Cl)c1	ZINC000043490689	175057320	/nfs/dbraw/zinc/05/73/20/175057320.db2.gz	GHBRMPCCOZPRQA-GQCTYLIASA-N	-1	0	289.718	3.412	40	0		CGABRM
CCc1cc(C)n(Cc2cccc(F)c2)c1C(=O)[O-]	ZINC000078405434	177338500	/nfs/dbraw/zinc/33/85/00/177338500.db2.gz	ZLIUCLPTLQVJTM-UHFFFAOYSA-N	-1	0	261.296	3.245	40	0		CGABRM
CCCC(=O)Nc1ccccc1-c1ccc(C(=O)[O-])o1	ZINC000226351935	416521642	/nfs/dbraw/zinc/52/16/42/416521642.db2.gz	LRBQINGYHJCRFC-UHFFFAOYSA-N	-1	0	273.288	3.383	40	0		CGABRM
CCOc1nc2ccc(Br)cc2cc1C(=O)[O-]	ZINC000685937054	544109273	/nfs/dbraw/zinc/10/92/73/544109273.db2.gz	JHVVVDPUMDXFKK-UHFFFAOYSA-N	-1	0	296.120	3.094	40	0		CGABRM
O=C([O-])c1c(OCC2CC2)cnc2ccc(Cl)cc21	ZINC000685936816	544109489	/nfs/dbraw/zinc/10/94/89/544109489.db2.gz	ASMYXQNUTFYCBK-UHFFFAOYSA-N	-1	0	277.707	3.375	40	0		CGABRM
CC(=C1SC([O-])=NC1=O)c1ccc(Cl)cc1	ZINC000408718213	260028073	/nfs/dbraw/zinc/02/80/73/260028073.db2.gz	BMLZEORMOOSFOA-RMKNXTFCSA-N	-1	0	253.710	3.054	40	0		CGABRM
C[C@H]1CCc2nc3ccc(F)cc3c(C(=O)[O-])c2C1	ZINC000004130314	300090617	/nfs/dbraw/zinc/09/06/17/300090617.db2.gz	DOSUTQCWYRWNBY-QMMMGPOBSA-N	-1	0	259.280	3.197	40	0		CGABRM
Cc1cc2oc(Br)c(CC(=O)[O-])c2c(F)c1	ZINC000085399733	301464271	/nfs/dbraw/zinc/46/42/71/301464271.db2.gz	ZBFLPMDAUAPFNM-UHFFFAOYSA-N	-1	0	287.084	3.270	40	0		CGABRM
Cc1ccccc1-c1cc(=O)n(-c2nc3ccccc3[nH]2)[n-]1	ZINC000014607929	302074194	/nfs/dbraw/zinc/07/41/94/302074194.db2.gz	PKXOOSKSSZXTHD-UHFFFAOYSA-N	-1	0	290.326	3.430	40	0		CGABRM
CCN(c1ccc(Cl)cc1Cl)[C@H](C)C(=O)[O-]	ZINC000260677561	328007038	/nfs/dbraw/zinc/00/70/38/328007038.db2.gz	HSJLJLBLYXOBLG-SSDOTTSWSA-N	-1	0	262.136	3.293	40	0		CGABRM
Cc1ccc(C(=O)OCc2ccc(C(=O)[O-])cc2)cc1	ZINC000008372251	344874200	/nfs/dbraw/zinc/87/42/00/344874200.db2.gz	GAHOOIALXQSCSA-UHFFFAOYSA-N	-1	0	270.284	3.050	40	0		CGABRM
CC(C)(C)OC(=O)c1ccc(-c2ccccc2C(=O)[O-])[nH]1	ZINC000584577881	346684328	/nfs/dbraw/zinc/68/43/28/346684328.db2.gz	SDKNTVOWUIKQRL-UHFFFAOYSA-N	-1	0	287.315	3.335	40	0		CGABRM
O=C([O-])C1(Cc2ccccc2-c2ccncc2)CCOCC1	ZINC000019348539	304030565	/nfs/dbraw/zinc/03/05/65/304030565.db2.gz	MLIYGGGLLHYPCT-UHFFFAOYSA-N	-1	0	297.354	3.173	40	0		CGABRM
O=C([O-])C12CCC(c3ccccc31)c1ccccc12	ZINC000001712185	304035255	/nfs/dbraw/zinc/03/52/55/304035255.db2.gz	BVLVSIVPACIYAV-UHFFFAOYSA-N	-1	0	250.297	3.296	40	0		CGABRM
CCOc1ccc(C[C@@H](Oc2ccccc2)C(=O)[O-])cc1	ZINC000225106347	189743958	/nfs/dbraw/zinc/74/39/58/189743958.db2.gz	NHHCXCFZVDVYKS-MRXNPFEDSA-N	-1	0	286.327	3.160	40	0		CGABRM
O=C([O-])CSc1nc2ccccc2nc1-c1ccccc1	ZINC000000155586	368305052	/nfs/dbraw/zinc/30/50/52/368305052.db2.gz	SOERFLOMCSHXHE-UHFFFAOYSA-N	-1	0	296.351	3.474	40	0		CGABRM
CCOC(=O)c1[nH]c2ccc(Cl)cc2c1/C=C/C(=O)[O-]	ZINC000002527020	368460362	/nfs/dbraw/zinc/46/03/62/368460362.db2.gz	FJAKZAZXMRSESS-GQCTYLIASA-N	-1	0	293.706	3.096	40	0		CGABRM
COc1cc(/C=C\C(=O)[O-])ccc1OCc1ccccc1	ZINC000004683182	368557141	/nfs/dbraw/zinc/55/71/41/368557141.db2.gz	WSOBQOYHYGVEIR-NTMALXAHSA-N	-1	0	284.311	3.372	40	0		CGABRM
O=C([O-])[C@H](Cc1ccc(Cl)cc1)Oc1ccccc1	ZINC000013604736	368658886	/nfs/dbraw/zinc/65/88/86/368658886.db2.gz	LMPKJEIAQKEDNV-AWEZNQCLSA-N	-1	0	276.719	3.415	40	0		CGABRM
CC(C)[C@@H](NC(=O)/C=C/c1cccc2ccccc12)C(=O)[O-]	ZINC000033449306	368964865	/nfs/dbraw/zinc/96/48/65/368964865.db2.gz	GZZGDMKJIRIJPU-SXSDINLZSA-N	-1	0	297.354	3.078	40	0		CGABRM
O=C([O-])[C@@H]1CCc2nc(-c3cccs3)sc2C1	ZINC000057553367	369540408	/nfs/dbraw/zinc/54/04/08/369540408.db2.gz	SODDQWFHUGHHQH-SSDOTTSWSA-N	-1	0	265.359	3.061	40	0		CGABRM
O=C([O-])c1cc2[nH]c(-c3ccccc3)cc2c(O)c1	ZINC000066089588	369687800	/nfs/dbraw/zinc/68/78/00/369687800.db2.gz	ZAZUFHGBVSPBIN-UHFFFAOYSA-N	-1	0	253.257	3.239	40	0		CGABRM
O=C([O-])CCO[C@@H](c1ccccc1Cl)C(F)(F)F	ZINC000095096466	370176077	/nfs/dbraw/zinc/17/60/77/370176077.db2.gz	XCZGCCCTOGPEOH-JTQLQIEISA-N	-1	0	282.645	3.435	40	0		CGABRM
CCc1[n-]n2c(nc3c(c2=O)CCC3)c1-c1cccs1	ZINC000100163430	370272395	/nfs/dbraw/zinc/27/23/95/370272395.db2.gz	HEMCZTOKHOLGMU-UHFFFAOYSA-N	-1	0	285.372	3.215	40	0		CGABRM
CC(C)(C)OC(=O)NCc1ccc(Cl)c(C(=O)[O-])c1	ZINC000116822125	370569766	/nfs/dbraw/zinc/56/97/66/370569766.db2.gz	FKULUOQYTJAVOW-UHFFFAOYSA-N	-1	0	285.727	3.063	40	0		CGABRM
CC[C@@H](C(=O)[O-])N(CC)c1cccc(Br)c1	ZINC000224989466	376289800	/nfs/dbraw/zinc/28/98/00/376289800.db2.gz	RBEAYXAQTNKSSV-NSHDSACASA-N	-1	0	286.169	3.139	40	0		CGABRM
CCCN(CCCC(=O)[O-])c1ccccc1Cl	ZINC000224987902	376290487	/nfs/dbraw/zinc/29/04/87/376290487.db2.gz	FNVHFMOOOXUGPE-UHFFFAOYSA-N	-1	0	255.745	3.421	40	0		CGABRM
Cc1cc(C)cc(O[C@@H](Cc2ccccc2)C(=O)[O-])c1	ZINC000225013696	376291456	/nfs/dbraw/zinc/29/14/56/376291456.db2.gz	AQASSDFAOMDDJU-INIZCTEOSA-N	-1	0	270.328	3.378	40	0		CGABRM
Cc1ccc(C[C@H](Oc2ccccc2)C(=O)[O-])cc1C	ZINC000225033039	376293536	/nfs/dbraw/zinc/29/35/36/376293536.db2.gz	DDPVMCNTSLQENN-INIZCTEOSA-N	-1	0	270.328	3.378	40	0		CGABRM
Cc1ccc(C[C@H](Oc2cccc(C)c2)C(=O)[O-])cc1	ZINC000225019643	376293700	/nfs/dbraw/zinc/29/37/00/376293700.db2.gz	VCDBZRYNVMKSIT-INIZCTEOSA-N	-1	0	270.328	3.378	40	0		CGABRM
CC(C)COc1c(Br)cc(F)cc1C(=O)[O-]	ZINC000225277756	376300201	/nfs/dbraw/zinc/30/02/01/376300201.db2.gz	PIFOYONMJRJSGC-UHFFFAOYSA-N	-1	0	291.116	3.321	40	0		CGABRM
CCOc1cc(Cl)cc(C(=O)[O-])c1OCC(C)C	ZINC000225281591	376300510	/nfs/dbraw/zinc/30/05/10/376300510.db2.gz	RPZGHDZDPLOPEB-UHFFFAOYSA-N	-1	0	272.728	3.472	40	0		CGABRM
Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(F)s1	ZINC000225387126	376306109	/nfs/dbraw/zinc/30/61/09/376306109.db2.gz	UOUSKNXOMMUYSY-UHFFFAOYSA-N	-1	0	285.365	3.305	40	0		CGABRM
Cc1cccc(NCc2ccccc2OCC(=O)[O-])c1	ZINC000409120849	380028494	/nfs/dbraw/zinc/02/84/94/380028494.db2.gz	VGCUYWMOFHGSPV-UHFFFAOYSA-N	-1	0	271.316	3.071	40	0		CGABRM
O=C([O-])c1cccc2c1C(=O)c1cccc3snc-2c31	ZINC000001671640	304265756	/nfs/dbraw/zinc/26/57/56/304265756.db2.gz	BDIYAADGTTXFSW-UHFFFAOYSA-N	-1	0	281.292	3.206	40	0		CGABRM
O=C([O-])c1ccccc1C(=O)N1CC[C@@H]2CCCC[C@@H]2C1	ZINC000035161679	304267121	/nfs/dbraw/zinc/26/71/21/304267121.db2.gz	WAAOIRMVLQPYHW-QWHCGFSZSA-N	-1	0	287.359	3.037	40	0		CGABRM
O=C([O-])[C@@H]1C[C@H]1c1ccc(-c2ccc(F)cc2F)o1	ZINC000070452947	392184079	/nfs/dbraw/zinc/18/40/79/392184079.db2.gz	YPYOXQBMIWTSEQ-NXEZZACHSA-N	-1	0	264.227	3.413	40	0		CGABRM
CCc1c(C)nc2c(-c3ccccc3)c(COC)[n-]n2c1=O	ZINC000239222119	397668789	/nfs/dbraw/zinc/66/87/89/397668789.db2.gz	UKBQKOPWWVIXIV-UHFFFAOYSA-N	-1	0	297.358	3.119	40	0		CGABRM
C[C@H](Oc1cccc(Oc2ccccc2)c1)C(=O)[O-]	ZINC000013609163	170568788	/nfs/dbraw/zinc/56/87/88/170568788.db2.gz	XAJAXMBTYZIQEV-NSHDSACASA-N	-1	0	258.273	3.331	40	0		CGABRM
O=C([O-])c1cncc(-c2cccc(OC(F)(F)F)c2)c1	ZINC000035630012	172311564	/nfs/dbraw/zinc/31/15/64/172311564.db2.gz	YAOOXKLYDABRQB-UHFFFAOYSA-N	-1	0	283.205	3.345	40	0		CGABRM
CCc1cc(C)n(Cc2ccc(OC)cc2)c1C(=O)[O-]	ZINC000078405467	177338643	/nfs/dbraw/zinc/33/86/43/177338643.db2.gz	KCAODQAYOJLINS-UHFFFAOYSA-N	-1	0	273.332	3.114	40	0		CGABRM
O=C([O-])CCCc1ccc(OC(F)F)cc1OC(F)F	ZINC000078406423	177339029	/nfs/dbraw/zinc/33/90/29/177339029.db2.gz	RUXGOJDETLLYSZ-UHFFFAOYSA-N	-1	0	296.216	3.297	40	0		CGABRM
Nc1ccc2c(c1)[C@H]([N-]C(=O)C(F)(F)F)c1ccccc1-2	ZINC000002044424	279702156	/nfs/dbraw/zinc/70/21/56/279702156.db2.gz	HZGSPOJGYCNQGM-CYBMUJFWSA-N	-1	0	292.260	3.017	40	0		CGABRM
CCc1ccc(-c2nc(N(C)C)sc2CC(=O)[O-])cc1	ZINC000076533049	288526899	/nfs/dbraw/zinc/52/68/99/288526899.db2.gz	URQPPVBBSASKBB-UHFFFAOYSA-N	-1	0	290.388	3.066	40	0		CGABRM
COc1ccc(-c2ccc(C(=O)[O-])o2)c(Br)c1	ZINC000057353743	295046893	/nfs/dbraw/zinc/04/68/93/295046893.db2.gz	UHLYJRMVLSZEDG-UHFFFAOYSA-N	-1	0	297.104	3.416	40	0		CGABRM
COc1ccc(C(=O)[O-])cc1COc1ccc(C)cc1	ZINC000024548546	295099093	/nfs/dbraw/zinc/09/90/93/295099093.db2.gz	UAUWSCADNOYENK-UHFFFAOYSA-N	-1	0	272.300	3.281	40	0		CGABRM
COc1ccc2cc(CC(=O)[O-])ccc2c1Br	ZINC000072226983	295278880	/nfs/dbraw/zinc/27/88/80/295278880.db2.gz	KVSMTDMVXSELEG-UHFFFAOYSA-N	-1	0	295.132	3.238	40	0		CGABRM
COc1cccc2c1N([C@H](C)C(=O)[O-])C(C)(C)C[C@H]2C	ZINC000260612783	327945116	/nfs/dbraw/zinc/94/51/16/327945116.db2.gz	BCGARUXQAWHHKH-GHMZBOCLSA-N	-1	0	277.364	3.261	40	0		CGABRM
O=C([O-])CCCC(=O)c1cccc(OC(F)(F)F)c1	ZINC000095739492	185023731	/nfs/dbraw/zinc/02/37/31/185023731.db2.gz	JUGQXABMVBSUPQ-UHFFFAOYSA-N	-1	0	276.210	3.023	40	0		CGABRM
Cn1ncc(Cl)c1-c1cc(C(=O)[O-])sc1Cl	ZINC000116445943	345977541	/nfs/dbraw/zinc/97/75/41/345977541.db2.gz	KSDVSQFPKDKYHR-UHFFFAOYSA-N	-1	0	277.132	3.154	40	0		CGABRM
Cc1ccc(C[C@@H](Oc2ccc(C)cc2)C(=O)[O-])cc1	ZINC000225019699	189743690	/nfs/dbraw/zinc/74/36/90/189743690.db2.gz	JITMGTLMSCQYFF-MRXNPFEDSA-N	-1	0	270.328	3.378	40	0		CGABRM
CC(C)O[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)[O-]	ZINC000225095478	189743924	/nfs/dbraw/zinc/74/39/24/189743924.db2.gz	QNIACGFGRSAPCH-NSHDSACASA-N	-1	0	276.254	3.126	40	0		CGABRM
CCO[P@](C)(=O)[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-]	ZINC000001643291	368426524	/nfs/dbraw/zinc/42/65/24/368426524.db2.gz	VUSTUXNUGXRMHS-XCLFUZPHSA-N	-1	0	295.275	3.108	40	0		CGABRM
CCCC(O)(CCC)[C@@]1(C)CC[C@H](C(=O)[O-])C(C)(C)O1	ZINC000003845864	368521260	/nfs/dbraw/zinc/52/12/60/368521260.db2.gz	LMBCHCOQJPCSGJ-IUODEOHRSA-N	-1	0	286.412	3.366	40	0		CGABRM
Cn1c(C(=O)[O-])cc2cc(OCc3ccccc3)ccc21	ZINC000008417150	368574169	/nfs/dbraw/zinc/57/41/69/368574169.db2.gz	UPJCRKMBZZSXEY-UHFFFAOYSA-N	-1	0	281.311	3.456	40	0		CGABRM
O=C([O-])c1cccc(CN2CCCc3ccccc32)c1	ZINC000011860575	368597999	/nfs/dbraw/zinc/59/79/99/368597999.db2.gz	GKFBZMZRTOZONL-UHFFFAOYSA-N	-1	0	267.328	3.338	40	0		CGABRM
CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(=O)N=C([O-])C(F)(F)F	ZINC000011990670	368602560	/nfs/dbraw/zinc/60/25/60/368602560.db2.gz	YBGMLLFVNLUNHN-AEJSXWLSSA-N	-1	0	295.301	3.262	40	0		CGABRM
Cc1cn(C(=O)/C(Cl)=C(\Cl)C(=O)[O-])c2ccccc12	ZINC000017300656	368730936	/nfs/dbraw/zinc/73/09/36/368730936.db2.gz	FYCVVISFXOWEEQ-ZHACJKMWSA-N	-1	0	298.125	3.364	40	0		CGABRM
O=C([O-])CN(Cc1c(Cl)cccc1Cl)C1CC1	ZINC000037598117	369091234	/nfs/dbraw/zinc/09/12/34/369091234.db2.gz	FIJREFNUUHJEJT-UHFFFAOYSA-N	-1	0	274.147	3.042	40	0		CGABRM
O=C([O-])c1cnn(C(c2ccccc2)c2ccccc2)c1	ZINC000039320134	369149715	/nfs/dbraw/zinc/14/97/15/369149715.db2.gz	UUJKFSHSARIOMX-UHFFFAOYSA-N	-1	0	278.311	3.219	40	0		CGABRM
Cc1[nH]c(-c2ccccc2C(F)(F)F)nc1C(=O)[O-]	ZINC000061627400	369603879	/nfs/dbraw/zinc/60/38/79/369603879.db2.gz	ORAAYTJJEZCAMX-UHFFFAOYSA-N	-1	0	270.210	3.102	40	0		CGABRM
CC(C)(C)OC(=O)N[C@]1(C)CC[C@](C)(C(=O)[O-])C1(C)C	ZINC000146888489	371518259	/nfs/dbraw/zinc/51/82/59/371518259.db2.gz	RERDYONOOJBIOP-HUUCEWRRSA-N	-1	0	285.384	3.181	40	0		CGABRM
CC(C)NC(=S)Nc1cc(/C=C/C(=O)[O-])ccc1Cl	ZINC000216929631	376169997	/nfs/dbraw/zinc/16/99/97/376169997.db2.gz	QIKXKOCWYVOHJJ-GQCTYLIASA-N	-1	0	298.795	3.133	40	0		CGABRM
Cc1nc(Cc2cccc3ccccc32)ncc1C(=O)[O-]	ZINC000217400945	376174783	/nfs/dbraw/zinc/17/47/83/376174783.db2.gz	OLTWCIDHVDWKBV-UHFFFAOYSA-N	-1	0	278.311	3.227	40	0		CGABRM
CC(C)(C)OC(=O)N[C@@]1(C)CC[C@](C)(C(=O)[O-])C1(C)C	ZINC000217721097	376180312	/nfs/dbraw/zinc/18/03/12/376180312.db2.gz	RERDYONOOJBIOP-CABCVRRESA-N	-1	0	285.384	3.181	40	0		CGABRM
C[C@H]1CC(C)(C)N(CC(=O)[O-])c2ccc(F)cc21	ZINC000223186553	376248574	/nfs/dbraw/zinc/24/85/74/376248574.db2.gz	AWHUOGURCJIRNJ-VIFPVBQESA-N	-1	0	251.301	3.003	40	0		CGABRM
CCCCOCc1cc(C(=O)[O-])ccc1OCC	ZINC000224722982	376288865	/nfs/dbraw/zinc/28/88/65/376288865.db2.gz	GGJFGFYTRISGHR-UHFFFAOYSA-N	-1	0	252.310	3.100	40	0		CGABRM
CC[C@@H](C(=O)[O-])N(CC)c1ccc(Cl)cc1C	ZINC000224992001	376290345	/nfs/dbraw/zinc/29/03/45/376290345.db2.gz	PELXBWZEYLBWLZ-NSHDSACASA-N	-1	0	255.745	3.338	40	0		CGABRM
Cc1ccc(O[C@H](Cc2ccccc2C)C(=O)[O-])cc1	ZINC000225014874	376292138	/nfs/dbraw/zinc/29/21/38/376292138.db2.gz	ZLVPAKVTRXAHFC-MRXNPFEDSA-N	-1	0	270.328	3.378	40	0		CGABRM
CCCO[C@@H](Cc1cccc(Cl)c1C)C(=O)[O-]	ZINC000225072498	376292950	/nfs/dbraw/zinc/29/29/50/376292950.db2.gz	GWRRXGKFGWJNEA-LBPRGKRZSA-N	-1	0	256.729	3.071	40	0		CGABRM
COc1ccc(O[C@H](Cc2cccc(C)c2)C(=O)[O-])cc1	ZINC000225018384	376293001	/nfs/dbraw/zinc/29/30/01/376293001.db2.gz	TUFMQRIDNYBVHZ-MRXNPFEDSA-N	-1	0	286.327	3.078	40	0		CGABRM
CCCCO[C@H](Cc1cccc(Cl)c1C)C(=O)[O-]	ZINC000225072708	376293270	/nfs/dbraw/zinc/29/32/70/376293270.db2.gz	HPNFTVDVAPODJC-CYBMUJFWSA-N	-1	0	270.756	3.461	40	0		CGABRM
CCc1ccccc1C[C@@H](OCc1ccccc1)C(=O)[O-]	ZINC000225041975	376293681	/nfs/dbraw/zinc/29/36/81/376293681.db2.gz	YDESHLDYGAYOGZ-QGZVFWFLSA-N	-1	0	284.355	3.462	40	0		CGABRM
CCCCO[C@@H](Cc1c(C)cccc1C)C(=O)[O-]	ZINC000225032723	376293690	/nfs/dbraw/zinc/29/36/90/376293690.db2.gz	VRISNXUOBZWOKB-AWEZNQCLSA-N	-1	0	250.338	3.116	40	0		CGABRM
CC(C)CC(=O)Nc1cc(/C=C/C(=O)[O-])ccc1Cl	ZINC000226357069	376354566	/nfs/dbraw/zinc/35/45/66/376354566.db2.gz	IGSSOGUWJXFKHV-GQCTYLIASA-N	-1	0	281.739	3.422	40	0		CGABRM
O=c1c(Br)c(C(F)(F)F)[n-]c2ccncc12	ZINC000242548303	376781323	/nfs/dbraw/zinc/78/13/23/376781323.db2.gz	LIZWKJHBNUVKCC-UHFFFAOYSA-N	-1	0	293.042	3.117	40	0		CGABRM
O=C([O-])[C@@H]1C[C@@H]1c1ccc(OCCC(F)(F)F)cc1	ZINC000408715703	380021348	/nfs/dbraw/zinc/02/13/48/380021348.db2.gz	CPUQLHGMSLVZCJ-GHMZBOCLSA-N	-1	0	274.238	3.206	40	0		CGABRM
Cc1cccc(C(=O)c2ccccc2C(=O)[O-])c1C	ZINC000039318954	184545842	/nfs/dbraw/zinc/54/58/42/184545842.db2.gz	HLVQSJSUAGDUEE-UHFFFAOYSA-N	-1	0	254.285	3.233	40	0		CGABRM
CC(C)(C)OC(=O)Nc1cccc2ccc(C(=O)[O-])nc21	ZINC000026460799	391951400	/nfs/dbraw/zinc/95/14/00/391951400.db2.gz	UDUQAHLAPQWDJY-UHFFFAOYSA-N	-1	0	288.303	3.280	40	0		CGABRM
CCc1noc2nc(-c3cccs3)cc(C(=O)[O-])c12	ZINC000062710648	392131771	/nfs/dbraw/zinc/13/17/71/392131771.db2.gz	GEMBDVSARZDJET-UHFFFAOYSA-N	-1	0	274.301	3.212	40	0		CGABRM
CC(=O)SC(C(=O)[O-])(c1ccccc1)c1ccccc1	ZINC000001710971	169747672	/nfs/dbraw/zinc/74/76/72/169747672.db2.gz	LQXUGJURZKQBFK-UHFFFAOYSA-N	-1	0	286.352	3.295	40	0		CGABRM
O=C([O-])c1ccc(CNc2cccc(N3CCCC3)c2)o1	ZINC000008702230	170347513	/nfs/dbraw/zinc/34/75/13/170347513.db2.gz	BZHQMDJYIMDATM-UHFFFAOYSA-N	-1	0	286.331	3.190	40	0		CGABRM
CC[C@@H](C)C(=O)Nc1ccccc1S[C@H](C)C(=O)[O-]	ZINC000008732864	170351588	/nfs/dbraw/zinc/35/15/88/170351588.db2.gz	HGGHUJKFODMRET-NXEZZACHSA-N	-1	0	281.377	3.236	40	0		CGABRM
CCC[C@@H](Sc1ccccc1NC(=O)CC)C(=O)[O-]	ZINC000008732814	170351700	/nfs/dbraw/zinc/35/17/00/170351700.db2.gz	QQHYXLYZIJFOFA-GFCCVEGCSA-N	-1	0	281.377	3.381	40	0		CGABRM
O=C([O-])Cc1nc(-c2cc3ccccc3o2)cs1	ZINC000016525748	170700782	/nfs/dbraw/zinc/70/07/82/170700782.db2.gz	INLPPWDFEDJSCP-UHFFFAOYSA-N	-1	0	259.286	3.183	40	0		CGABRM
COc1ccc([C@H](C)Nc2nc(C)c(C(=O)[O-])s2)cc1	ZINC000020156589	171039600	/nfs/dbraw/zinc/03/96/00/171039600.db2.gz	CXRSTASZIHTDPM-QMMMGPOBSA-N	-1	0	292.360	3.331	40	0		CGABRM
C[C@@H](CCc1ccccc1)Nc1ccc(N)cc1C(=O)[O-]	ZINC000044483159	175179824	/nfs/dbraw/zinc/17/98/24/175179824.db2.gz	DBRKFIAHUHSYQH-LBPRGKRZSA-N	-1	0	284.359	3.400	40	0		CGABRM
COc1ccc(C(=O)CCNc2ccc(C(=O)[O-])cc2)cc1	ZINC000055174979	175573250	/nfs/dbraw/zinc/57/32/50/175573250.db2.gz	UESKIEYSULAREY-UHFFFAOYSA-N	-1	0	299.326	3.078	40	0		CGABRM
CSc1ccc2[n-]c(C(F)F)c(C)c(=O)c2c1	ZINC000685937914	544110389	/nfs/dbraw/zinc/11/03/89/544110389.db2.gz	APRTUIGDFMJDFS-UHFFFAOYSA-N	-1	0	255.289	3.496	40	0		CGABRM
O=C([O-])c1cc(OCc2ccc(F)cc2)cc(Cl)c1O	ZINC000216846357	262341488	/nfs/dbraw/zinc/34/14/88/262341488.db2.gz	KEZFTPIQQOIWRL-UHFFFAOYSA-N	-1	0	296.681	3.462	40	0		CGABRM
CC(C)(C)OC(=O)N1[C@H](C(=O)[O-])CC[C@H]1c1ccccc1	ZINC000006882696	278420761	/nfs/dbraw/zinc/42/07/61/278420761.db2.gz	ADTXMICUZGOWDF-STQMWFEESA-N	-1	0	291.347	3.212	40	0		CGABRM
C[C@H]1CCC[C@@H]([C@](O)(C(=O)[O-])C2CCCCC2)C1	ZINC000005047852	299871272	/nfs/dbraw/zinc/87/12/72/299871272.db2.gz	MBMAQAGQHBXDMT-LNSITVRQSA-N	-1	0	254.370	3.209	40	0		CGABRM
Cc1c2ccc(Br)cc2oc1C(=O)[O-]	ZINC000011920599	301017502	/nfs/dbraw/zinc/01/75/02/301017502.db2.gz	FAJBCLFCRSHKJU-UHFFFAOYSA-N	-1	0	255.067	3.202	40	0		CGABRM
Cc1cc(C(=O)[O-])c2c(n1)onc2-c1ccc(F)cc1	ZINC000022637626	301151666	/nfs/dbraw/zinc/15/16/66/301151666.db2.gz	YMKMRAXZVKUKME-UHFFFAOYSA-N	-1	0	272.235	3.036	40	0		CGABRM
Cc1ccc(C(C)C)c(OCc2n[n-]c(=S)o2)c1	ZINC000005489256	326815831	/nfs/dbraw/zinc/81/58/31/326815831.db2.gz	UISXQZZCFHIEPU-UHFFFAOYSA-N	-1	0	264.350	3.369	40	0		CGABRM
CCCc1nnc(SCc2cccc(C(=O)[O-])c2)o1	ZINC000007605203	344868978	/nfs/dbraw/zinc/86/89/78/344868978.db2.gz	KOBSWHHBNNIPOH-UHFFFAOYSA-N	-1	0	278.333	3.013	40	0		CGABRM
O=C([O-])C1=NN(c2ccccc2F)[C@@H](c2ccccc2)C1	ZINC000071979042	304036532	/nfs/dbraw/zinc/03/65/32/304036532.db2.gz	NQUNIJYKPOKBIO-OAHLLOKOSA-N	-1	0	284.290	3.218	40	0		CGABRM
CC1(C)C[C@](CC(=O)[O-])(c2ccc(F)cc2)CCO1	ZINC000000201884	368314193	/nfs/dbraw/zinc/31/41/93/368314193.db2.gz	UHZWBWMYVNDOOX-HNNXBMFYSA-N	-1	0	266.312	3.127	40	0		CGABRM
O=C([O-])[C@H](C1CCCCC1)C1(O)CCCCCC1	ZINC000001646358	368426452	/nfs/dbraw/zinc/42/64/52/368426452.db2.gz	XQOUFQTXPZMJTR-ZDUSSCGKSA-N	-1	0	254.370	3.353	40	0		CGABRM
O=C([O-])C1(Nc2ccc(Br)cc2)CCCC1	ZINC000001675864	368430037	/nfs/dbraw/zinc/43/00/37/368430037.db2.gz	DFBNBYQAOKURNK-UHFFFAOYSA-N	-1	0	284.153	3.258	40	0		CGABRM
O=C([O-])c1ccc(OCCOc2ccccc2)c(Cl)c1	ZINC000001745656	368436677	/nfs/dbraw/zinc/43/66/77/368436677.db2.gz	LYKGVARJIRGPCG-UHFFFAOYSA-N	-1	0	292.718	3.496	40	0		CGABRM
Cc1ccc2c(C)cc(SCC(=O)[O-])nc2c1C	ZINC000004126841	368532099	/nfs/dbraw/zinc/53/20/99/368532099.db2.gz	GDVUWGRTOGWXHY-UHFFFAOYSA-N	-1	0	261.346	3.337	40	0		CGABRM
Cc1[n-]n2c(nc(C)c(C)c2=O)c1-c1ccc(F)cc1	ZINC000012115633	368603418	/nfs/dbraw/zinc/60/34/18/368603418.db2.gz	QODFCJBNEVCGPO-UHFFFAOYSA-N	-1	0	271.295	3.166	40	0		CGABRM
O=C([O-])C[C@@H](c1ccccc1)[S@](=O)c1ccccc1	ZINC000073633115	369863066	/nfs/dbraw/zinc/86/30/66/369863066.db2.gz	VSLYGZHYHJSLAX-LIRRHRJNSA-N	-1	0	274.341	3.010	40	0		CGABRM
CC(C)(C)OC(=O)N1CCCc2cccc(C(=O)[O-])c21	ZINC000076188345	369934236	/nfs/dbraw/zinc/93/42/36/369934236.db2.gz	QGOBCPKKKVEDBS-UHFFFAOYSA-N	-1	0	277.320	3.073	40	0		CGABRM
Cc1nc2nc(Br)c([O-])cc2c(C)c1C	ZINC000095533176	370201998	/nfs/dbraw/zinc/20/19/98/370201998.db2.gz	QDVODIDDXUKKKC-UHFFFAOYSA-N	-1	0	267.126	3.023	40	0		CGABRM
CCn1cc(C(=O)[O-])c2cc(Br)ccc21	ZINC000107700155	542000341	/nfs/dbraw/zinc/00/03/41/542000341.db2.gz	QMTPIXGKHJNORF-UHFFFAOYSA-N	-1	0	268.110	3.122	40	0		CGABRM
COc1ccc(SC2CCCC2)cc1C(=O)[O-]	ZINC000218300882	376187632	/nfs/dbraw/zinc/18/76/32/376187632.db2.gz	KNSHRMJGVYTZMV-UHFFFAOYSA-N	-1	0	252.335	3.428	40	0		CGABRM
CC[C@@H](C(=O)[O-])N(C)c1cc(Cl)cc(Cl)c1	ZINC000224995538	376291799	/nfs/dbraw/zinc/29/17/99/376291799.db2.gz	LCDJPLRYODHUMM-JTQLQIEISA-N	-1	0	262.136	3.293	40	0		CGABRM
CCCCO[C@H](Cc1ccc(C)c(Cl)c1)C(=O)[O-]	ZINC000225081576	376295572	/nfs/dbraw/zinc/29/55/72/376295572.db2.gz	PAZNYYFYGRQLNX-CYBMUJFWSA-N	-1	0	270.756	3.461	40	0		CGABRM
Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(F)s2)c1	ZINC000225387017	376305991	/nfs/dbraw/zinc/30/59/91/376305991.db2.gz	JAHBFMANMYBRAK-UHFFFAOYSA-N	-1	0	285.365	3.305	40	0		CGABRM
O=C([O-])[C@@H]1C[C@@H]1c1cccc(OCCC(F)(F)F)c1	ZINC000408716632	380021333	/nfs/dbraw/zinc/02/13/33/380021333.db2.gz	OZXFGRCHCFOJBQ-GHMZBOCLSA-N	-1	0	274.238	3.206	40	0		CGABRM
O=C([O-])CCc1cc(-c2ccc(Br)cc2)no1	ZINC000207318324	542283937	/nfs/dbraw/zinc/28/39/37/542283937.db2.gz	BCYAVYDNWLSIST-UHFFFAOYSA-N	-1	0	296.120	3.121	40	0		CGABRM
O=Nc1c(Br)cc([O-])cc1Br	ZINC000015080979	296445037	/nfs/dbraw/zinc/44/50/37/296445037.db2.gz	MRSRVHQGWAULPF-UHFFFAOYSA-N	-1	0	280.903	3.315	40	0		CGABRM
O=C([O-])c1conc1-c1c(Cl)cccc1Cl	ZINC000166540076	304281839	/nfs/dbraw/zinc/28/18/39/304281839.db2.gz	HSMNZDKIPQOANB-UHFFFAOYSA-N	-1	0	258.060	3.347	40	0		CGABRM
Cc1c(Cl)c(C)c(C(=O)[O-])c(O)c1Br	ZINC000057339504	392107937	/nfs/dbraw/zinc/10/79/37/392107937.db2.gz	VFLBXMXGWHGWIW-UHFFFAOYSA-N	-1	0	279.517	3.123	40	0		CGABRM
Cc1noc([C@@H](C)NCc2cccc(Cl)c2)c1C(=O)[O-]	ZINC000096296910	392246603	/nfs/dbraw/zinc/24/66/03/392246603.db2.gz	OQHFEIGOMOCMBK-SECBINFHSA-N	-1	0	294.738	3.185	40	0	biogenic,in-vitro	CGABRM
O=C([O-])CC[C@@]12CCC[C@@H]3CCC(=O)N(c4ccccc41)[C@@H]32	ZINC000004831160	170025319	/nfs/dbraw/zinc/02/53/19/170025319.db2.gz	RUCYNUSBBGZCDR-UUWFMWQGSA-N	-1	0	299.370	3.098	40	0		CGABRM
CC(=O)Oc1ccc(C[C@H](C(=O)[O-])c2ccccc2)cc1	ZINC000005434347	170099092	/nfs/dbraw/zinc/09/90/92/170099092.db2.gz	FNMGETNXLXZQAJ-INIZCTEOSA-N	-1	0	284.311	3.023	40	0		CGABRM
C[C@@H](CCOc1ccc(Cl)cc1Cl)C(=O)[O-]	ZINC000006437135	170201443	/nfs/dbraw/zinc/20/14/43/170201443.db2.gz	HPDRIKDSNCSJPV-ZETCQYMHSA-N	-1	0	263.120	3.483	40	0		CGABRM
Cc1cc(C(=O)[O-])ccc1NC(=O)/C=C/c1ccccc1	ZINC000008907608	170358441	/nfs/dbraw/zinc/35/84/41/170358441.db2.gz	GMJQZOWECIAQBE-JXMROGBWSA-N	-1	0	281.311	3.345	40	0		CGABRM
O=C([O-])c1ccc(Cl)c(NC(=O)/C=C/c2ccco2)c1	ZINC000013167559	170538456	/nfs/dbraw/zinc/53/84/56/170538456.db2.gz	VYYUAHLKIJOCFY-GQCTYLIASA-N	-1	0	291.690	3.283	40	0		CGABRM
CC(C)Oc1cccc(C(=O)Nc2ccc(C(=O)[O-])cc2)c1	ZINC000020141591	171027548	/nfs/dbraw/zinc/02/75/48/171027548.db2.gz	XSXKUSCRLSLVNY-UHFFFAOYSA-N	-1	0	299.326	3.424	40	0		CGABRM
CCN(Cc1cccc(C(=O)[O-])c1)c1ccccc1	ZINC000021044074	171293712	/nfs/dbraw/zinc/29/37/12/171293712.db2.gz	KJQQETKMHXSZFE-UHFFFAOYSA-N	-1	0	255.317	3.411	40	0		CGABRM
Cc1nc(-c2ccc(Cl)c(Cl)c2)ncc1C(=O)[O-]	ZINC000022124112	171353714	/nfs/dbraw/zinc/35/37/14/171353714.db2.gz	UKDKORRCEKIHRO-UHFFFAOYSA-N	-1	0	283.114	3.457	40	0		CGABRM
Cc1ccc([C@@H](NC(=O)OCc2ccccc2)C(=O)[O-])cc1	ZINC000039957077	174178981	/nfs/dbraw/zinc/17/89/81/174178981.db2.gz	QSTRMBHVBNCBGJ-OAHLLOKOSA-N	-1	0	299.326	3.047	40	0		CGABRM
COc1ccccc1N1N=C(C(=O)[O-])C[C@H]1c1ccccc1	ZINC000071979035	176307728	/nfs/dbraw/zinc/30/77/28/176307728.db2.gz	VWLFJCJDPPHNDS-HNNXBMFYSA-N	-1	0	296.326	3.087	40	0		CGABRM
Cc1cccc2ncc(OCC3CC3)c(C(=O)[O-])c12	ZINC000685937761	544110121	/nfs/dbraw/zinc/11/01/21/544110121.db2.gz	ZZUJHERDCDQEMG-UHFFFAOYSA-N	-1	0	257.289	3.030	40	0		CGABRM
CC1=CC(C)(C)N([C@H](C)C(=O)[O-])c2cc(F)ccc21	ZINC000260714710	328054641	/nfs/dbraw/zinc/05/46/41/328054641.db2.gz	FAKIZQNUYJKZSA-SNVBAGLBSA-N	-1	0	263.312	3.301	40	0		CGABRM
Cc1ccc(C(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])s1	ZINC000095728683	185021783	/nfs/dbraw/zinc/02/17/83/185021783.db2.gz	MURFZGFKKQTDSM-ZJUUUORDSA-N	-1	0	252.335	3.130	40	0		CGABRM
O=C([O-])c1ccc(COC(F)(F)F)c(Cl)c1	ZINC000098044413	345909350	/nfs/dbraw/zinc/90/93/50/345909350.db2.gz	OWLXKWDOAUHGHT-UHFFFAOYSA-N	-1	0	254.591	3.075	40	0		CGABRM
CC(C)(C)OC(=O)c1ccc(-c2cccc(C(=O)[O-])c2)[nH]1	ZINC000584577875	346684419	/nfs/dbraw/zinc/68/44/19/346684419.db2.gz	QFHIYZVCQFLWOR-UHFFFAOYSA-N	-1	0	287.315	3.335	40	0		CGABRM
O=C([O-])c1ccc(Nc2nc3ccccc3[nH]2)cc1	ZINC000026439832	295990286	/nfs/dbraw/zinc/99/02/86/295990286.db2.gz	VUFFIANMJQYRAP-UHFFFAOYSA-N	-1	0	253.261	3.005	40	0		CGABRM
CC(C)CO[C@H](Cc1ccccc1Cl)C(=O)[O-]	ZINC000225057762	189744033	/nfs/dbraw/zinc/74/40/33/189744033.db2.gz	GSSMEMCLRCMQED-GFCCVEGCSA-N	-1	0	256.729	3.008	40	0		CGABRM
Cc1cc2c(=O)cc(-c3ccncc3)oc2c(C(=O)[O-])c1C	ZINC000001625171	368425565	/nfs/dbraw/zinc/42/55/65/368425565.db2.gz	REPHLLFXIJIPMA-UHFFFAOYSA-N	-1	0	295.294	3.170	40	0		CGABRM
Cc1ccccc1-c1cnn(-c2ccc(C(=O)[O-])cc2)c1N	ZINC000004290731	368540809	/nfs/dbraw/zinc/54/08/09/368540809.db2.gz	WFOMOYNSEBHTKV-UHFFFAOYSA-N	-1	0	293.326	3.128	40	0		CGABRM
COc1ccc(C(=O)[O-])cc1OCc1ccccc1F	ZINC000011860752	368598088	/nfs/dbraw/zinc/59/80/88/368598088.db2.gz	SQGWENXSARPNSF-UHFFFAOYSA-N	-1	0	276.263	3.112	40	0		CGABRM
CCc1[n-]n2c(nc(C)c(C)c2=O)c1-c1ccccc1	ZINC000012115648	368603892	/nfs/dbraw/zinc/60/38/92/368603892.db2.gz	FVZYVPIPUHCMFU-UHFFFAOYSA-N	-1	0	267.332	3.281	40	0		CGABRM
CC(C)Nc1nc(-c2cccc(Cl)c2)ncc1C(=O)[O-]	ZINC000049469480	369403454	/nfs/dbraw/zinc/40/34/54/369403454.db2.gz	CVODARIFIVKAFZ-UHFFFAOYSA-N	-1	0	291.738	3.316	40	0		CGABRM
CC1(C)/C(=C\Br)[C@]2(C(=O)[O-])CC[C@H]1C2	ZINC000100749564	370282463	/nfs/dbraw/zinc/28/24/63/370282463.db2.gz	RXUSDPSEVZZPPA-LCIZYJGXSA-N	-1	0	259.143	3.176	40	0		CGABRM
CCCN(CCCC(=O)[O-])c1ccc(Cl)cc1	ZINC000224988991	376290470	/nfs/dbraw/zinc/29/04/70/376290470.db2.gz	JPBKFRWHLLUYRW-UHFFFAOYSA-N	-1	0	255.745	3.421	40	0		CGABRM
Cc1cccc(C[C@H](OCc2ccccc2)C(=O)[O-])c1	ZINC000225019368	376293067	/nfs/dbraw/zinc/29/30/67/376293067.db2.gz	PGOGJGFANRUDGA-INIZCTEOSA-N	-1	0	270.328	3.208	40	0		CGABRM
Cc1ccc(C[C@@H](OCc2ccccc2)C(=O)[O-])cc1	ZINC000225021748	376293620	/nfs/dbraw/zinc/29/36/20/376293620.db2.gz	BJDWZPCCCPYSKT-MRXNPFEDSA-N	-1	0	270.328	3.208	40	0		CGABRM
CC(C)O[C@@H](Cc1cc(Cl)cc(Cl)c1)C(=O)[O-]	ZINC000225092554	376294957	/nfs/dbraw/zinc/29/49/57/376294957.db2.gz	DJSPWYYTWADWPP-NSHDSACASA-N	-1	0	277.147	3.414	40	0		CGABRM
O=C([O-])[C@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)Nc1ccc(Cl)cc1	ZINC000004157329	304212153	/nfs/dbraw/zinc/21/21/53/304212153.db2.gz	XIRVDRLLUMERCX-PSJXJDHFSA-N	-1	0	293.750	3.025	40	0		CGABRM
O=C([O-])c1cc2cccc(F)c2nc1C(F)(F)F	ZINC000036406513	304229506	/nfs/dbraw/zinc/22/95/06/304229506.db2.gz	SKKKDFPMZCDFCJ-UHFFFAOYSA-N	-1	0	259.158	3.091	40	0		CGABRM
CCN(c1ccc(Cl)cc1Cl)[C@@H](C)C(=O)[O-]	ZINC000224994308	285146333	/nfs/dbraw/zinc/14/63/33/285146333.db2.gz	HSJLJLBLYXOBLG-ZETCQYMHSA-N	-1	0	262.136	3.293	40	0		CGABRM
O=C([O-])c1ccccc1C(=O)N1CC[C@H]2CCCC[C@@H]2C1	ZINC000035161680	304267128	/nfs/dbraw/zinc/26/71/28/304267128.db2.gz	WAAOIRMVLQPYHW-CHWSQXEVSA-N	-1	0	287.359	3.037	40	0		CGABRM
O=C([O-])CO[C@H](c1ccc(F)c(Cl)c1)C(F)(F)F	ZINC000095096418	184943422	/nfs/dbraw/zinc/94/34/22/184943422.db2.gz	CFFSWYVKDVFIEG-SECBINFHSA-N	-1	0	286.608	3.184	40	0		CGABRM
Cc1cccc(-c2ncc(C(=O)[O-])c(N3CCCCC3)n2)c1	ZINC000035981460	134805487	/nfs/dbraw/zinc/80/54/87/134805487.db2.gz	KSQKWPRCDUWCBY-UHFFFAOYSA-N	-1	0	297.358	3.141	40	0		CGABRM
CC1(C)C(C(=O)[O-])=CC[C@@]1(C)C(=O)Nc1ccccc1	ZINC000005902771	170152579	/nfs/dbraw/zinc/15/25/79/170152579.db2.gz	DNFKKUCBQQEKCE-INIZCTEOSA-N	-1	0	273.332	3.072	40	0		CGABRM
Cc1ccccc1Nc1ccc(C(=O)[O-])cc1C=O	ZINC000008703721	170347725	/nfs/dbraw/zinc/34/77/25/170347725.db2.gz	AGYZTZSDDHAZTB-UHFFFAOYSA-N	-1	0	255.273	3.249	40	0		CGABRM
COc1ccc(NCc2ccc(C(=O)[O-])o2)cc1Cl	ZINC000008729680	170350388	/nfs/dbraw/zinc/35/03/88/170350388.db2.gz	IZDHWXPAVSXWDQ-UHFFFAOYSA-N	-1	0	281.695	3.252	40	0		CGABRM
CC[C@@H](NC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-])c1ccccc1	ZINC000035670715	172343531	/nfs/dbraw/zinc/34/35/31/172343531.db2.gz	BLMUMULYRLAEEP-QLFBSQMISA-N	-1	0	289.375	3.145	40	0		CGABRM
CC(C)Oc1ccc(Cc2ccc(C(=O)[O-])o2)cc1	ZINC000084135575	416495921	/nfs/dbraw/zinc/49/59/21/416495921.db2.gz	MUOKJMLSEOXWRY-UHFFFAOYSA-N	-1	0	260.289	3.356	40	0		CGABRM
CC[C@H](C(=O)[O-])N(C)c1ccc(Cl)cc1Cl	ZINC000224994251	287512279	/nfs/dbraw/zinc/51/22/79/287512279.db2.gz	GIBIBAQWVMOERC-SECBINFHSA-N	-1	0	262.136	3.293	40	0		CGABRM
C[C@H]1CCC[C@@H](C(O)(C(=O)[O-])[C@@H]2CCC[C@H](C)C2)C1	ZINC000005047882	299865880	/nfs/dbraw/zinc/86/58/80/299865880.db2.gz	SNFQLKDJWIBNQF-IGQOVBAYSA-N	-1	0	268.397	3.455	40	0		CGABRM
Cc1cc(C)c2c(Br)c(C(=O)[O-])cnc2c1	ZINC000085386466	301206940	/nfs/dbraw/zinc/20/69/40/301206940.db2.gz	OOCVQSNEUVIMKF-UHFFFAOYSA-N	-1	0	280.121	3.312	40	0		CGABRM
CC(/C=C/C(=O)[O-])=C\C[C@H](O)/C(C)=C/CC[C@H](C)[C@H](C)O	ZINC000031166605	623666781	/nfs/dbraw/zinc/66/67/81/623666781.db2.gz	RCKDDMWGRIYLCN-GJJCDYLKSA-N	-1	0	296.407	3.068	40	0	biogenic,in-vitro	CGABRM
Cn1c(CCCCC(=O)[O-])nc2ccc(Cl)cc21	ZINC000095618976	185016430	/nfs/dbraw/zinc/01/64/30/185016430.db2.gz	RCUSIDOMQUDQBJ-UHFFFAOYSA-N	-1	0	266.728	3.024	40	0		CGABRM
COc1ccc(/C=N/c2ccccc2C)cc1C(=O)[O-]	ZINC000008570867	344874289	/nfs/dbraw/zinc/87/42/89/344874289.db2.gz	LVJRDDWFGFHIEM-LICLKQGHSA-N	-1	0	269.300	3.452	40	0		CGABRM
Cc1cccc(-c2nc(C(=O)[O-])nn2-c2ccc(F)cc2)c1	ZINC000008730839	344874766	/nfs/dbraw/zinc/87/47/66/344874766.db2.gz	ZFOCIVXYZKTUFM-UHFFFAOYSA-N	-1	0	297.289	3.080	40	0		CGABRM
C[C@@H](c1ccccc1)N(CCC(=O)[O-])C(=O)OC(C)(C)C	ZINC000034929459	344941535	/nfs/dbraw/zinc/94/15/35/344941535.db2.gz	PMBGDAFUCQKQEP-LBPRGKRZSA-N	-1	0	293.363	3.459	40	0		CGABRM
C[C@@H](Oc1ccc(/C=C/c2ccccc2)nc1)C(=O)[O-]	ZINC000256051595	346398826	/nfs/dbraw/zinc/39/88/26/346398826.db2.gz	JTYWXVWXWYWHRA-ABZNLYFFSA-N	-1	0	269.300	3.104	40	0		CGABRM
O=C([O-])Cc1c(Br)oc2cc(F)c(F)cc21	ZINC000085399367	304087885	/nfs/dbraw/zinc/08/78/85/304087885.db2.gz	SCRZHIHQALAKCB-UHFFFAOYSA-N	-1	0	291.047	3.101	40	0		CGABRM
CCCCO[C@@H](Cc1ccc(Cl)cc1)C(=O)[O-]	ZINC000225062252	189743889	/nfs/dbraw/zinc/74/38/89/189743889.db2.gz	CFHXTKYNUGDDSM-LBPRGKRZSA-N	-1	0	256.729	3.152	40	0		CGABRM
CCO[P@@](C)(=O)[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-]	ZINC000001643290	368426425	/nfs/dbraw/zinc/42/64/25/368426425.db2.gz	VUSTUXNUGXRMHS-RNODOKPDSA-N	-1	0	295.275	3.108	40	0		CGABRM
CCOC(=O)C=C([O-])c1cccc(-c2ccccc2)c1	ZINC000002575930	368466044	/nfs/dbraw/zinc/46/60/44/368466044.db2.gz	GGPCOTQUFRKOJH-UHFFFAOYSA-N	-1	0	268.312	3.490	40	0		CGABRM
O=C([O-])c1cc2ccccc2n1CC(=O)c1ccccc1	ZINC000004932269	368560474	/nfs/dbraw/zinc/56/04/74/368560474.db2.gz	CZQKISAERLUEJE-UHFFFAOYSA-N	-1	0	279.295	3.222	40	0		CGABRM
Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(C(=O)[O-])cc2)c1	ZINC000013166727	368646268	/nfs/dbraw/zinc/64/62/68/368646268.db2.gz	GDNOEVUZFCNHIS-LBPRGKRZSA-N	-1	0	299.326	3.099	40	0		CGABRM
Cc1cc(C)cc(C(=O)Nc2ccc(C(=O)[O-])cc2)c1	ZINC000013166519	368647065	/nfs/dbraw/zinc/64/70/65/368647065.db2.gz	XOXFIERHJYKOSH-UHFFFAOYSA-N	-1	0	269.300	3.254	40	0		CGABRM
CC(C)c1ccc(/C=C/C(=O)N[C@@H](C(=O)[O-])C(C)C)cc1	ZINC000033443225	368965519	/nfs/dbraw/zinc/96/55/19/368965519.db2.gz	ADIVUKYNTIFLRL-OJXHRBAXSA-N	-1	0	289.375	3.049	40	0		CGABRM
Cc1nc(N2CCCc3ccccc32)ccc1C(=O)[O-]	ZINC000072224953	369817026	/nfs/dbraw/zinc/81/70/26/369817026.db2.gz	WDDXVWYWFRZFKY-UHFFFAOYSA-N	-1	0	268.316	3.173	40	0		CGABRM
O=C([O-])[C@H]1CC(=O)c2ccccc2[C@@H]1c1ccccc1	ZINC000001684901	304175113	/nfs/dbraw/zinc/17/51/13/304175113.db2.gz	HUJDTNIBEIYHJK-HOCLYGCPSA-N	-1	0	266.296	3.106	40	0		CGABRM
COc1ccc(-c2ccc(CC(=O)[O-])cc2F)cc1OC	ZINC000504215487	375653659	/nfs/dbraw/zinc/65/36/59/375653659.db2.gz	LJWFXMPMXFMHKS-UHFFFAOYSA-N	-1	0	290.290	3.137	40	0		CGABRM
COCCCc1cc(=O)[nH]c(-c2cccc(Cl)c2)n1	ZINC000217789070	376180185	/nfs/dbraw/zinc/18/01/85/376180185.db2.gz	XBQFQJHDBBQRDJ-UHFFFAOYSA-N	-1	0	278.739	3.082	40	0		CGABRM
CCCCO[C@@H](Cc1ccc(Cl)cc1C)C(=O)[O-]	ZINC000225076093	376294573	/nfs/dbraw/zinc/29/45/73/376294573.db2.gz	XHZIQCSNROCQJH-ZDUSSCGKSA-N	-1	0	270.756	3.461	40	0		CGABRM
CCOc1cc(Cl)cc(C(=O)[O-])c1OC(C)C	ZINC000225281405	376300486	/nfs/dbraw/zinc/30/04/86/376300486.db2.gz	LHKWRRNJZZCJOC-UHFFFAOYSA-N	-1	0	258.701	3.224	40	0		CGABRM
CC(=O)OCc1ccc(-c2cccc(C(=O)[O-])c2)cc1	ZINC000409444179	380031306	/nfs/dbraw/zinc/03/13/06/380031306.db2.gz	OTFBRCPWQVNBRI-UHFFFAOYSA-N	-1	0	270.284	3.115	40	0		CGABRM
O=C([O-])c1cc(C(F)(F)F)nc2c(F)cccc12	ZINC000096171801	304224061	/nfs/dbraw/zinc/22/40/61/304224061.db2.gz	RUPQGZWJBGXRPP-UHFFFAOYSA-N	-1	0	259.158	3.091	40	0		CGABRM
O=C([O-])c1cccc(Cl)c1C(=O)c1ccccc1	ZINC000003101751	304260533	/nfs/dbraw/zinc/26/05/33/304260533.db2.gz	JEZQCHJJLYRNOZ-UHFFFAOYSA-N	-1	0	260.676	3.269	40	0		CGABRM
O=C([O-])c1cn(-c2ccccc2Cl)c(=O)c2ccccc12	ZINC000095095473	304274119	/nfs/dbraw/zinc/27/41/19/304274119.db2.gz	AKCDYZWCDQEHNM-UHFFFAOYSA-N	-1	0	299.713	3.342	40	0		CGABRM
O=C([O-])c1cnccc1-c1nc2ccccc2s1	ZINC000001462948	304279501	/nfs/dbraw/zinc/27/95/01/304279501.db2.gz	UUVBKHAAEOFVJK-UHFFFAOYSA-N	-1	0	256.286	3.057	40	0		CGABRM
O=C([O-])/C=C/c1ccc(-c2c(F)cccc2F)o1	ZINC000070453002	392183440	/nfs/dbraw/zinc/18/34/40/392183440.db2.gz	UWBWJVKAUDFNRN-FNORWQNLSA-N	-1	0	250.200	3.323	40	0		CGABRM
O=C([O-])CCC(=O)c1ccc2c3c1CCC[C@@H]3CC2	ZINC000005179882	170073937	/nfs/dbraw/zinc/07/39/37/170073937.db2.gz	IALIBZSTXPKNHT-SNVBAGLBSA-N	-1	0	258.317	3.100	40	0		CGABRM
Cc1ccc(OCC(=O)Nc2cccc(C(=O)[O-])c2)c(C)c1	ZINC000006189785	170181734	/nfs/dbraw/zinc/18/17/34/170181734.db2.gz	MUSCQXCLNSENET-UHFFFAOYSA-N	-1	0	299.326	3.019	40	0		CGABRM
O=C([O-])c1ccc(CSc2nc3ccccc3[nH]2)o1	ZINC000008701165	170346619	/nfs/dbraw/zinc/34/66/19/170346619.db2.gz	BLFJIBCZQOJOEX-UHFFFAOYSA-N	-1	0	274.301	3.146	40	0		CGABRM
O=C([O-])[C@@H]1CC(c2cccc(Oc3ccccc3)c2)=NO1	ZINC000020594095	171263302	/nfs/dbraw/zinc/26/33/02/171263302.db2.gz	XAVUQPLDKATBHZ-HNNXBMFYSA-N	-1	0	283.283	3.057	40	0		CGABRM
O=C([O-])c1cnc(COc2ccc(Cl)cc2Cl)nc1	ZINC000058042441	175606802	/nfs/dbraw/zinc/60/68/02/175606802.db2.gz	ALXJWFCYFHQMEA-UHFFFAOYSA-N	-1	0	299.113	3.061	40	0		CGABRM
Cc1ccc2ncc(OCC3CC3)c(C(=O)[O-])c2c1	ZINC000685937675	544110164	/nfs/dbraw/zinc/11/01/64/544110164.db2.gz	XBBPAOVSUZOMJU-UHFFFAOYSA-N	-1	0	257.289	3.030	40	0		CGABRM
CC(=O)Oc1c(Cl)cc(C(C)C)cc1C(=O)[O-]	ZINC000057339573	278222553	/nfs/dbraw/zinc/22/25/53/278222553.db2.gz	IVHXLYHFSCQCIK-UHFFFAOYSA-N	-1	0	256.685	3.087	40	0		CGABRM
CC(C)(C)OC(=O)N1CC[C@H](c2ccc(C(=O)[O-])cc2)C1	ZINC000002509815	278410730	/nfs/dbraw/zinc/41/07/30/278410730.db2.gz	QVNMWXVQUZCEFO-ZDUSSCGKSA-N	-1	0	291.347	3.109	40	0		CGABRM
COc1c(C(=O)[O-])cc(Br)cc1C(F)(F)F	ZINC000094986136	294888252	/nfs/dbraw/zinc/88/82/52/294888252.db2.gz	LJLYACHFSQWEQL-UHFFFAOYSA-N	-1	0	299.042	3.175	40	0		CGABRM
COc1ccc(N2N=C(C(=O)[O-])C[C@@H]2c2ccccc2)cc1	ZINC000071979090	295156995	/nfs/dbraw/zinc/15/69/95/295156995.db2.gz	IYNRGBGFEBKXMV-MRXNPFEDSA-N	-1	0	296.326	3.087	40	0		CGABRM
C[C@H]1CC[C@@H]([C@](O)(C(=O)[O-])C2CCCCC2)C[C@@H]1C	ZINC000001710781	300043956	/nfs/dbraw/zinc/04/39/56/300043956.db2.gz	JQCVRXQKGQZFHH-GMZLATJGSA-N	-1	0	268.397	3.455	40	0		CGABRM
O=Cc1ccc(-c2ccc(Cl)cc2C(=O)[O-])o1	ZINC000009879672	304725024	/nfs/dbraw/zinc/72/50/24/304725024.db2.gz	ACGZORHIHHOXAD-UHFFFAOYSA-N	-1	0	250.637	3.111	40	0		CGABRM
Cc1cc(C)cc(Nc2ccc(N)cc2C(=O)[O-])c1	ZINC000037930570	301226954	/nfs/dbraw/zinc/22/69/54/301226954.db2.gz	UICQSTZMHVBFNG-UHFFFAOYSA-N	-1	0	256.305	3.327	40	0		CGABRM
Cc1noc(C)c1S(=O)(=O)[N-]c1c(C)cc(C)cc1C	ZINC000006728881	302844714	/nfs/dbraw/zinc/84/47/14/302844714.db2.gz	HZSFIDKJPFXCEC-UHFFFAOYSA-N	-1	0	294.376	3.018	40	0		CGABRM
C[C@@H](C(=O)[O-])N1c2cc(F)ccc2[C@H](C)CC1(C)C	ZINC000260714624	328054561	/nfs/dbraw/zinc/05/45/61/328054561.db2.gz	DCXSYZDBTIOBPF-ZJUUUORDSA-N	-1	0	265.328	3.391	40	0		CGABRM
Cc1ccc(-n2nc(C(=O)[O-])nc2-c2ccc(F)cc2)cc1	ZINC000008730803	344874796	/nfs/dbraw/zinc/87/47/96/344874796.db2.gz	SKMIALPGNPKABL-UHFFFAOYSA-N	-1	0	297.289	3.080	40	0		CGABRM
O=C([O-])C12CCC(c3ncc(Cl)nc3Cl)(CC1)C2	ZINC000575624140	346669882	/nfs/dbraw/zinc/66/98/82/346669882.db2.gz	MAIBHNRRPPWDLY-UHFFFAOYSA-N	-1	0	287.146	3.070	40	0		CGABRM
Cn1cc(-c2ccccc2)c2[n-]c(=S)n(C3CC3)c(=O)c21	ZINC000100071600	282612240	/nfs/dbraw/zinc/61/22/40/282612240.db2.gz	UFSUKYXJOBNROF-UHFFFAOYSA-N	-1	0	297.383	3.026	40	0		CGABRM
CC(C)(C)c1ncc(/C=C/c2ncc(C(=O)[O-])s2)cn1	ZINC000351998807	219284024	/nfs/dbraw/zinc/28/40/24/219284024.db2.gz	AOCJUPPPMOEVMU-SNAWJCMRSA-N	-1	0	289.360	3.099	40	0		CGABRM
O=C([O-])Cc1ccc(Br)c2ccccc12	ZINC000001652967	304088882	/nfs/dbraw/zinc/08/88/82/304088882.db2.gz	VIMWRMDQHHYVOY-UHFFFAOYSA-N	-1	0	265.106	3.229	40	0		CGABRM
O=C([O-])c1cccc2c1S[C@@H](c1ccccc1)OC2=O	ZINC000001572809	368418913	/nfs/dbraw/zinc/41/89/13/368418913.db2.gz	CSUYQZISSUDBJF-HNNXBMFYSA-N	-1	0	286.308	3.346	40	0		CGABRM
O=C([O-])CSc1nc2cc(Cl)c(Cl)cc2[nH]1	ZINC000001596749	368421984	/nfs/dbraw/zinc/42/19/84/368421984.db2.gz	MDHUGAQJEKDLAN-UHFFFAOYSA-N	-1	0	277.132	3.046	40	0		CGABRM
CCOc1c(Br)cc(Cl)cc1C(=O)[O-]	ZINC000011831550	368596812	/nfs/dbraw/zinc/59/68/12/368596812.db2.gz	SOYMRKRRCABTPQ-UHFFFAOYSA-N	-1	0	279.517	3.199	40	0		CGABRM
Cc1c(C(=O)[O-])cnc2c(-c3cccc(Cl)c3)cnn21	ZINC000020342931	368807151	/nfs/dbraw/zinc/80/71/51/368807151.db2.gz	GGHMSZZLOLTYLL-UHFFFAOYSA-N	-1	0	287.706	3.056	40	0		CGABRM
Cc1cccc(Nc2ccc(C(=O)[O-])cc2N)c1C	ZINC000037930632	369126398	/nfs/dbraw/zinc/12/63/98/369126398.db2.gz	LLEHRUQJZUBUDJ-UHFFFAOYSA-N	-1	0	256.305	3.327	40	0		CGABRM
O=C([O-])[C@H]1CC(=O)c2cccc3c2[C@@H]1c1ccccc1-3	ZINC000085388864	304174999	/nfs/dbraw/zinc/17/49/99/304174999.db2.gz	IQDITGYLNALZDR-XJKSGUPXSA-N	-1	0	264.280	3.086	40	0		CGABRM
COCCCc1cc(=O)[nH]c(-c2ccccc2Cl)n1	ZINC000217789179	376179544	/nfs/dbraw/zinc/17/95/44/376179544.db2.gz	QEZSPGUGEIZZJE-UHFFFAOYSA-N	-1	0	278.739	3.082	40	0		CGABRM
Cc1ccccc1C[C@H](Oc1ccccc1)C(=O)[O-]	ZINC000225014590	376291468	/nfs/dbraw/zinc/29/14/68/376291468.db2.gz	BXEUNOBGTHZBIN-HNNXBMFYSA-N	-1	0	256.301	3.070	40	0		CGABRM
O=C([O-])c1c(Br)ccc2ccccc21	ZINC000071256558	304216771	/nfs/dbraw/zinc/21/67/71/304216771.db2.gz	VWVUFWQRRWSXAE-UHFFFAOYSA-N	-1	0	251.079	3.301	40	0		CGABRM
O=C([O-])[C@H]1C[C@@H]1c1cccc(OCCC(F)(F)F)c1	ZINC000408716633	380021203	/nfs/dbraw/zinc/02/12/03/380021203.db2.gz	OZXFGRCHCFOJBQ-MNOVXSKESA-N	-1	0	274.238	3.206	40	0		CGABRM
O=C([O-])c1ccc2nc(-c3ccncc3)sc2c1	ZINC000031894263	304254660	/nfs/dbraw/zinc/25/46/60/304254660.db2.gz	BHEPNPDWYREQIN-UHFFFAOYSA-N	-1	0	256.286	3.057	40	0		CGABRM
O=C([O-])c1n[nH]c(-c2ccccc2)c1Cc1cccs1	ZINC000072220426	392201890	/nfs/dbraw/zinc/20/18/90/392201890.db2.gz	URTBQUGPPWHJBB-UHFFFAOYSA-N	-1	0	284.340	3.427	40	0		CGABRM
[O-]c1cc(F)c(Br)cc1Br	ZINC000157314223	296590174	/nfs/dbraw/zinc/59/01/74/296590174.db2.gz	KTTZXTFQYDAFOQ-UHFFFAOYSA-N	-1	0	269.895	3.056	40	0		CGABRM
C[C@H](CCOc1ccc(Cl)cc1Cl)C(=O)[O-]	ZINC000001732221	169752038	/nfs/dbraw/zinc/75/20/38/169752038.db2.gz	HPDRIKDSNCSJPV-SSDOTTSWSA-N	-1	0	263.120	3.483	40	0		CGABRM
CCCCCOC(=O)c1nc[n-]c1C(=O)OCCCCC	ZINC000005397740	170094679	/nfs/dbraw/zinc/09/46/79/170094679.db2.gz	MSMUIMSWRUKQNL-UHFFFAOYSA-N	-1	0	296.367	3.104	40	0		CGABRM
COc1ccc(Cc2c(C)[n-]n(-c3ccccc3)c2=O)cc1	ZINC000006202708	170182564	/nfs/dbraw/zinc/18/25/64/170182564.db2.gz	AVJMENMFWNOVTB-KRWDZBQOSA-N	-1	0	294.354	3.277	40	0		CGABRM
O=C([O-])/C(=C/c1ccc2c(c1)OCO2)c1ccccc1	ZINC000008612346	170342592	/nfs/dbraw/zinc/34/25/92/170342592.db2.gz	LNIVRFHJOOGJCG-MDWZMJQESA-N	-1	0	268.268	3.041	40	0		CGABRM
CCCc1nc(C)cc(Nc2cccc(C(=O)[O-])c2)n1	ZINC000008702962	170347604	/nfs/dbraw/zinc/34/76/04/170347604.db2.gz	FWCWDGOIHMKKMI-UHFFFAOYSA-N	-1	0	271.320	3.179	40	0		CGABRM
CC[C@H](C)C(=O)Nc1ccccc1S[C@H](C)C(=O)[O-]	ZINC000008732865	170351472	/nfs/dbraw/zinc/35/14/72/170351472.db2.gz	HGGHUJKFODMRET-VHSXEESVSA-N	-1	0	281.377	3.236	40	0		CGABRM
CC(C)C(=O)Nc1ccccc1SC(C)(C)C(=O)[O-]	ZINC000008732830	170351545	/nfs/dbraw/zinc/35/15/45/170351545.db2.gz	UHAIZJITQJYJQR-UHFFFAOYSA-N	-1	0	281.377	3.236	40	0		CGABRM
Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=C/[N+](=O)[O-])o1	ZINC000009324285	170372193	/nfs/dbraw/zinc/37/21/93/170372193.db2.gz	LAGNQSMHASGMLL-VOTSOKGWSA-N	-1	0	273.244	3.201	40	0		CGABRM
Cc1cc(C)cc(C(=O)Nc2cc(C)c(O)c(C(=O)[O-])c2)c1	ZINC000020138812	171026032	/nfs/dbraw/zinc/02/60/32/171026032.db2.gz	AEETZRLVHXJKCC-UHFFFAOYSA-N	-1	0	299.326	3.268	40	0		CGABRM
C[C@@H](CCc1ccccc1)Nc1ccc(C(=O)[O-])cc1N	ZINC000044483161	175180032	/nfs/dbraw/zinc/18/00/32/175180032.db2.gz	JHDXNCAIACBOMF-LBPRGKRZSA-N	-1	0	284.359	3.400	40	0		CGABRM
CCc1cc(C)n(Cc2ccccc2F)c1C(=O)[O-]	ZINC000078405433	177338545	/nfs/dbraw/zinc/33/85/45/177338545.db2.gz	KCGMBSGDQZKRPO-UHFFFAOYSA-N	-1	0	261.296	3.245	40	0		CGABRM
CC(C)(C(=O)[O-])c1csc(Nc2ccccc2)n1	ZINC000078404222	177338578	/nfs/dbraw/zinc/33/85/78/177338578.db2.gz	FTHDDRFIVQWXTN-UHFFFAOYSA-N	-1	0	262.334	3.249	40	0		CGABRM
CCC(=O)Nc1cc(OC)ccc1-c1ccc(C(=O)[O-])o1	ZINC000226351847	416522122	/nfs/dbraw/zinc/52/21/22/416522122.db2.gz	UTDYKQSYPUTVRZ-UHFFFAOYSA-N	-1	0	289.287	3.002	40	0		CGABRM
N=c1[n-]nc(/C(=C/c2ccccc2O)c2ccccc2)s1	ZINC000408718100	260027899	/nfs/dbraw/zinc/02/78/99/260027899.db2.gz	JJEFFZHZHYDSSW-JLHYYAGUSA-N	-1	0	295.367	3.245	40	0		CGABRM
COc1ccc(C(=O)[O-])cc1-c1cc2ccccc2oc1=O	ZINC000216936821	295098552	/nfs/dbraw/zinc/09/85/52/295098552.db2.gz	ONSQBYQCKWYMEQ-UHFFFAOYSA-N	-1	0	296.278	3.167	40	0		CGABRM
Cc1c(-c2ccncc2)nc2ccccc2c1C(=O)[O-]	ZINC000001584664	300905606	/nfs/dbraw/zinc/90/56/06/300905606.db2.gz	HGPJYDFKHUQTBS-UHFFFAOYSA-N	-1	0	264.284	3.303	40	0		CGABRM
Cc1c(C(=O)[O-])cccc1-c1cc2ccccc2oc1=O	ZINC000216936249	300947426	/nfs/dbraw/zinc/94/74/26/300947426.db2.gz	CQAAFSSRVSZENY-UHFFFAOYSA-N	-1	0	280.279	3.467	40	0		CGABRM
Cc1ccc(C(=O)[O-])cc1NC(=S)NC1CCCCC1	ZINC000013813013	301533487	/nfs/dbraw/zinc/53/34/87/301533487.db2.gz	NXMNESQVCCQLFR-UHFFFAOYSA-N	-1	0	292.404	3.312	40	0		CGABRM
Cc1ccc(Cl)cc1Nc1ncccc1C(=O)[O-]	ZINC000021520924	301600259	/nfs/dbraw/zinc/60/02/59/301600259.db2.gz	TUBJXQUGYCLPGM-UHFFFAOYSA-N	-1	0	262.696	3.485	40	0		CGABRM
O=C([O-])/C=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1	ZINC000006882776	344866136	/nfs/dbraw/zinc/86/61/36/344866136.db2.gz	ONROWWDTCPDGSU-RMKNXTFCSA-N	-1	0	299.282	3.272	40	0		CGABRM
CC1(C)C[C@@](CC(=O)[O-])(c2ccc(F)cc2)CCO1	ZINC000000201888	368313606	/nfs/dbraw/zinc/31/36/06/368313606.db2.gz	UHZWBWMYVNDOOX-OAHLLOKOSA-N	-1	0	266.312	3.127	40	0		CGABRM
COc1ccc([C@H](Cc2ccccc2)C(=O)[O-])cc1OC	ZINC000001747927	368436785	/nfs/dbraw/zinc/43/67/85/368436785.db2.gz	QLHOKKJGONGTKA-AWEZNQCLSA-N	-1	0	286.327	3.115	40	0		CGABRM
Cc1c(Cl)cccc1Nc1nnc(C(C)(C)C)c(=O)[n-]1	ZINC000002718769	368474426	/nfs/dbraw/zinc/47/44/26/368474426.db2.gz	CKFDDQVNVJMXNT-UHFFFAOYSA-N	-1	0	292.770	3.168	40	0		CGABRM
Cc1cc(C)cc(NC(=O)COc2ccc(C(=O)[O-])cc2)c1	ZINC000013079796	368642664	/nfs/dbraw/zinc/64/26/64/368642664.db2.gz	PWQGHHYHNKHWSC-UHFFFAOYSA-N	-1	0	299.326	3.019	40	0		CGABRM
O=C([O-])[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C(=O)Nc1ccccc1Cl	ZINC000013320665	368649204	/nfs/dbraw/zinc/64/92/04/368649204.db2.gz	AMQBBWMQJONXHH-FQPOAREZSA-N	-1	0	293.750	3.025	40	0		CGABRM
Cc1cc(C)cc(C(=O)Nc2ccc(CC(=O)[O-])cc2)c1	ZINC000013439659	368653689	/nfs/dbraw/zinc/65/36/89/368653689.db2.gz	GWFVNXZGMDTNLF-UHFFFAOYSA-N	-1	0	283.327	3.183	40	0		CGABRM
O=C([O-])/C=C/c1ccc(OC(=O)c2ccccc2)cc1	ZINC000016889900	368720909	/nfs/dbraw/zinc/72/09/09/368720909.db2.gz	KOKUTEOWSHGSAQ-DHZHZOJOSA-N	-1	0	268.268	3.004	40	0		CGABRM
CC(C)c1nnc(SCc2cccc(C(=O)[O-])c2)o1	ZINC000020034498	368795045	/nfs/dbraw/zinc/79/50/45/368795045.db2.gz	MBOUSMJCLJZEFB-UHFFFAOYSA-N	-1	0	278.333	3.184	40	0		CGABRM
CCCc1cc(=O)n2[n-]c(C)c(-c3cccs3)c2n1	ZINC000100163346	370272919	/nfs/dbraw/zinc/27/29/19/370272919.db2.gz	MXILZUNCCIQXLC-UHFFFAOYSA-N	-1	0	273.361	3.424	40	0		CGABRM
CCc1c(C)[n-]n2c1nc(-c1ccc(COC)cc1)cc2=O	ZINC000100775770	370283219	/nfs/dbraw/zinc/28/32/19/370283219.db2.gz	YEQBWXQLGROQCU-UHFFFAOYSA-N	-1	0	297.358	3.119	40	0		CGABRM
O=c1cc(-c2ccc(Cl)cc2)[n-]n1-c1ccccc1	ZINC000100989616	370286221	/nfs/dbraw/zinc/28/62/21/370286221.db2.gz	QBWPDGFMRLCTJG-UHFFFAOYSA-N	-1	0	270.719	3.481	40	0		CGABRM
O=C([O-])[C@@]1(F)CC1(c1ccccc1)c1ccccc1	ZINC000001609797	304163284	/nfs/dbraw/zinc/16/32/84/304163284.db2.gz	YSJGUKWDUBXYRI-INIZCTEOSA-N	-1	0	256.276	3.169	40	0		CGABRM
Cc1cc([O-])c(-c2csc(-c3ccccc3)n2)c(=O)o1	ZINC000218309581	376186909	/nfs/dbraw/zinc/18/69/09/376186909.db2.gz	YWTNLKQIQUOITD-UHFFFAOYSA-N	-1	0	285.324	3.444	40	0		CGABRM
CCCN(c1cccc(Cl)c1)[C@@H](CC)C(=O)[O-]	ZINC000224988546	376290372	/nfs/dbraw/zinc/29/03/72/376290372.db2.gz	IVAGYGPTXLZFJY-LBPRGKRZSA-N	-1	0	255.745	3.420	40	0		CGABRM
O=C([O-])[C@H](Cc1ccccc1F)OCc1ccccc1	ZINC000225053056	376293259	/nfs/dbraw/zinc/29/32/59/376293259.db2.gz	BXLGQUQAPVCEFV-HNNXBMFYSA-N	-1	0	274.291	3.038	40	0		CGABRM
CCCCO[C@@H](Cc1ccc(CC)cc1)C(=O)[O-]	ZINC000225044557	376293729	/nfs/dbraw/zinc/29/37/29/376293729.db2.gz	RFWNSHMTFHWTMZ-AWEZNQCLSA-N	-1	0	250.338	3.061	40	0		CGABRM
Cc1cccc(O[C@@H](Cc2ccccc2F)C(=O)[O-])c1	ZINC000225050390	376293787	/nfs/dbraw/zinc/29/37/87/376293787.db2.gz	IPHHSYXODOAOJM-HNNXBMFYSA-N	-1	0	274.291	3.209	40	0		CGABRM
CCCCc1ccc(C[C@@H](OC(C)C)C(=O)[O-])cc1	ZINC000225129912	376294525	/nfs/dbraw/zinc/29/45/25/376294525.db2.gz	PTTLWXMOQIYVKB-OAHLLOKOSA-N	-1	0	264.365	3.450	40	0		CGABRM
O=C([O-])[C@H]1CCc2cccc3c2[C@@H]1c1ccccc1-3	ZINC000085388767	304196447	/nfs/dbraw/zinc/19/64/47/304196447.db2.gz	RJIPQKDZDJRYGY-GOEBONIOSA-N	-1	0	250.297	3.446	40	0		CGABRM
CCOc1ccc(-c2nc3ccccc3c(=O)[nH]2)cc1OC	ZINC000575410990	377906269	/nfs/dbraw/zinc/90/62/69/377906269.db2.gz	RRMGXYBOKIUPBF-UHFFFAOYSA-N	-1	0	296.326	3.410	40	0		CGABRM
O=C([O-])c1ccc(C(=O)CCC(=O)c2cccs2)cc1	ZINC000409058180	380025808	/nfs/dbraw/zinc/02/58/08/380025808.db2.gz	RZFLRUPUDQXYFT-UHFFFAOYSA-N	-1	0	288.324	3.292	40	0		CGABRM
O=C([O-])c1cc(Cl)cc(Br)c1Cl	ZINC000028278249	304224299	/nfs/dbraw/zinc/22/42/99/304224299.db2.gz	WUZLROIBULTHKS-UHFFFAOYSA-N	-1	0	269.909	3.454	40	0		CGABRM
O=C([O-])c1cccc2cc(I)ccc21	ZINC000071256720	304266288	/nfs/dbraw/zinc/26/62/88/304266288.db2.gz	FYKKBHHEPQHCGK-UHFFFAOYSA-N	-1	0	298.079	3.143	40	0		CGABRM
Cc1nc(SCCc2ccccc2)c(C(=O)[O-])s1	ZINC000218309015	130767716	/nfs/dbraw/zinc/76/77/16/130767716.db2.gz	ANRMIVORAXPIJJ-UHFFFAOYSA-N	-1	0	279.386	3.485	40	0		CGABRM
O=C([O-])c1c2c(nc3onc(Cc4ccccc4)c31)CCC2	ZINC000062710668	392131975	/nfs/dbraw/zinc/13/19/75/392131975.db2.gz	LWEJHPXDUPIECR-UHFFFAOYSA-N	-1	0	294.310	3.001	40	0		CGABRM
O=C([O-])c1cc(OCc2ccccc2)cc(Cl)c1O	ZINC000216752988	392992799	/nfs/dbraw/zinc/99/27/99/392992799.db2.gz	WQULWOIYFBPDNX-UHFFFAOYSA-N	-1	0	278.691	3.323	40	0		CGABRM
Cc1ccc(O)c(C(=O)CCCCCCC(=O)[O-])c1	ZINC000005744549	170136382	/nfs/dbraw/zinc/13/63/82/170136382.db2.gz	OPNOEIYYZWRUES-UHFFFAOYSA-N	-1	0	264.321	3.309	40	0		CGABRM
CC1(C)C(C(=O)[O-])=CC[C@]1(C)C(=O)Nc1ccccc1	ZINC000005902775	170152761	/nfs/dbraw/zinc/15/27/61/170152761.db2.gz	DNFKKUCBQQEKCE-MRXNPFEDSA-N	-1	0	273.332	3.072	40	0		CGABRM
Cc1nc2ccccc2nc1COc1ccccc1C(=O)[O-]	ZINC000006796316	170245031	/nfs/dbraw/zinc/24/50/31/170245031.db2.gz	BQFITSSFMDTEJO-UHFFFAOYSA-N	-1	0	294.310	3.215	40	0		CGABRM
CC(C)(CNc1cccc(C(F)(F)F)c1)C(=O)[O-]	ZINC000008702832	170347416	/nfs/dbraw/zinc/34/74/16/170347416.db2.gz	IJZFRKFXVSLKSJ-UHFFFAOYSA-N	-1	0	261.243	3.228	40	0		CGABRM
CCCCc1ccc(C(=O)[O-])cc1Br	ZINC000039951875	174176290	/nfs/dbraw/zinc/17/62/90/174176290.db2.gz	JGMIAEMRHOLOPC-UHFFFAOYSA-N	-1	0	257.127	3.490	40	0		CGABRM
Cc1nc(-c2ccc(C(C)(C)C)cc2)ncc1C(=O)[O-]	ZINC000071608785	176231131	/nfs/dbraw/zinc/23/11/31/176231131.db2.gz	QVEQZPOGRZDIKC-UHFFFAOYSA-N	-1	0	270.332	3.448	40	0		CGABRM
CCCN(CC(=O)[O-])c1cccc(Cl)c1Cl	ZINC000076673825	177055303	/nfs/dbraw/zinc/05/53/03/177055303.db2.gz	MWDILPYTLSTWSM-UHFFFAOYSA-N	-1	0	262.136	3.294	40	0		CGABRM
Cc1ccc2[n-]c(=S)n(CCc3ccccc3)c(=O)c2c1	ZINC000006490912	281162131	/nfs/dbraw/zinc/16/21/31/281162131.db2.gz	DTHHSEJDGNWWLY-UHFFFAOYSA-N	-1	0	296.395	3.236	40	0		CGABRM
Cc1nn(-c2ccc(Cl)cc2Cl)cc1C(=O)[O-]	ZINC000034961725	302726065	/nfs/dbraw/zinc/72/60/65/302726065.db2.gz	FPLJXOQECJSNAH-UHFFFAOYSA-N	-1	0	271.103	3.186	40	0		CGABRM
O=C([O-])c1cn(C(=O)c2ccccc2)c2ccccc12	ZINC000082572529	178110409	/nfs/dbraw/zinc/11/04/09/178110409.db2.gz	JNRCZRNPCUJENI-UHFFFAOYSA-N	-1	0	265.268	3.028	40	0		CGABRM
COc1cc(/C=N/c2ccccc2C)ccc1OCC(=O)[O-]	ZINC000008570886	344874133	/nfs/dbraw/zinc/87/41/33/344874133.db2.gz	AWYFDYKWNCBHDV-VCHYOVAHSA-N	-1	0	299.326	3.218	40	0		CGABRM
Cc1[n-]n(-c2nc3ccccc3s2)c(=O)c1Cl	ZINC000008559627	344874152	/nfs/dbraw/zinc/87/41/52/344874152.db2.gz	HMNBDVGMYRCSIF-UHFFFAOYSA-N	-1	0	265.725	3.149	40	0		CGABRM
CCc1[n-]n2c(nc(CC)cc2=O)c1-c1ccc(OC)cc1	ZINC000100163412	185707238	/nfs/dbraw/zinc/70/72/38/185707238.db2.gz	MILQAZCYCOLOKP-UHFFFAOYSA-N	-1	0	297.358	3.235	40	0		CGABRM
O=C([O-])c1cc2cc(OC(F)(F)F)ccc2s1	ZINC000090693864	180026214	/nfs/dbraw/zinc/02/62/14/180026214.db2.gz	XKONKDCQIVYHGO-UHFFFAOYSA-N	-1	0	262.208	3.498	40	0		CGABRM
Cc1ccccc1O[C@@H](Cc1ccc(F)cc1)C(=O)[O-]	ZINC000225053202	189743790	/nfs/dbraw/zinc/74/37/90/189743790.db2.gz	BCVPYKNCHCDNNE-HNNXBMFYSA-N	-1	0	274.291	3.209	40	0		CGABRM
CCCCc1ccc(C[C@@H](OCC)C(=O)[O-])cc1	ZINC000225129725	189744655	/nfs/dbraw/zinc/74/46/55/189744655.db2.gz	XALPWGULSQVQCC-CQSZACIVSA-N	-1	0	250.338	3.061	40	0		CGABRM
Cc1ccc(Nc2nc(CC(=O)[O-])cs2)c(C)c1	ZINC000000874103	368397991	/nfs/dbraw/zinc/39/79/91/368397991.db2.gz	ZKZXKIPWYVWTCX-UHFFFAOYSA-N	-1	0	262.334	3.131	40	0		CGABRM
O=C([O-])Cc1cccc2c(=O)c(-c3ccccc3)coc12	ZINC000001584869	368421115	/nfs/dbraw/zinc/42/11/15/368421115.db2.gz	FMQFDPXKSNAJLI-UHFFFAOYSA-N	-1	0	280.279	3.087	40	0		CGABRM
O=C([O-])c1cccnc1Nc1ccc(F)c(Cl)c1	ZINC000001329563	368407821	/nfs/dbraw/zinc/40/78/21/368407821.db2.gz	HGMNQTAPLNTPBN-UHFFFAOYSA-N	-1	0	266.659	3.316	40	0		CGABRM
CC1(C)CCC[C@]2(C)[C@@H](CC(=O)[O-])[C@](C)(O)CC[C@@H]12	ZINC000004082228	368529770	/nfs/dbraw/zinc/52/97/70/368529770.db2.gz	ASWLRRLLSBVSOH-SHUKQUCYSA-N	-1	0	268.397	3.455	40	0	biogenic	CGABRM
C[C@H](CC(=O)[O-])CC(=O)c1ccc(Cl)c(F)c1	ZINC000015441785	368695348	/nfs/dbraw/zinc/69/53/48/368695348.db2.gz	WRHWTVLWRUJQOX-ZETCQYMHSA-N	-1	0	258.676	3.163	40	0		CGABRM
O=c1cc(-c2ccccc2)[n-]n1-c1nc2ccccc2o1	ZINC000014607857	368682821	/nfs/dbraw/zinc/68/28/21/368682821.db2.gz	ZTZQVADGPKTODJ-UHFFFAOYSA-N	-1	0	277.283	3.386	40	0		CGABRM
Cc1ccc(-c2nc3ccccn3c2/C=C\C(=O)[O-])cc1	ZINC000033369494	368964041	/nfs/dbraw/zinc/96/40/41/368964041.db2.gz	GXSAGYCZQBHMCA-KTKRTIGZSA-N	-1	0	278.311	3.408	40	0		CGABRM
O=C([O-])c1ccc(-c2ccc(Br)cc2)[nH]1	ZINC000041382805	369182295	/nfs/dbraw/zinc/18/22/95/369182295.db2.gz	XFPCUPCSGIKYSO-UHFFFAOYSA-N	-1	0	266.094	3.142	40	0		CGABRM
COc1ccc(C(=O)n2cc(C(=O)[O-])c3ccccc32)cc1	ZINC000098152429	370267771	/nfs/dbraw/zinc/26/77/71/370267771.db2.gz	QIBFTUGYWCDCKM-UHFFFAOYSA-N	-1	0	295.294	3.037	40	0		CGABRM
O=C(c1ccccc1)C1=C([O-])c2ccccc2CC1	ZINC000100084068	370271575	/nfs/dbraw/zinc/27/15/75/370271575.db2.gz	HUCQLDZSDDSFKF-HNNXBMFYSA-N	-1	0	250.297	3.315	40	0		CGABRM
O=C([O-])CCCSc1n[nH]c(-c2cccc(Cl)c2)n1	ZINC000224977435	376289683	/nfs/dbraw/zinc/28/96/83/376289683.db2.gz	ADZFXSZFCXGPDO-UHFFFAOYSA-N	-1	0	297.767	3.082	40	0		CGABRM
CC[C@@H](C(=O)[O-])N(C)c1cccc(Cl)c1Cl	ZINC000224993571	376291254	/nfs/dbraw/zinc/29/12/54/376291254.db2.gz	RMTDXHYEDTVPLU-QMMMGPOBSA-N	-1	0	262.136	3.293	40	0		CGABRM
CC[C@@H](C(=O)[O-])N(C)c1ccc(Cl)c(Cl)c1	ZINC000224994860	376291440	/nfs/dbraw/zinc/29/14/40/376291440.db2.gz	YXOLAODAKMSPQP-JTQLQIEISA-N	-1	0	262.136	3.293	40	0		CGABRM
CCCO[C@@H](Cc1cc(Cl)cc(Cl)c1)C(=O)[O-]	ZINC000225092460	376294609	/nfs/dbraw/zinc/29/46/09/376294609.db2.gz	LALULUJSZZBRDY-NSHDSACASA-N	-1	0	277.147	3.416	40	0		CGABRM
CCCC(=O)Nc1cc(/C=C/C(=O)[O-])ccc1Cl	ZINC000226357076	376354971	/nfs/dbraw/zinc/35/49/71/376354971.db2.gz	AWJWNIOFYPRTJZ-FNORWQNLSA-N	-1	0	267.712	3.176	40	0		CGABRM
O=C([O-])[C@H]1C[C@]2(Cl)C[C@@]1(Cl)C(Cl)=C2Cl	ZINC000004683818	304205334	/nfs/dbraw/zinc/20/53/34/304205334.db2.gz	OCDGWCQVAOKDOQ-PLLMXSQQSA-N	-1	0	275.946	3.139	40	0		CGABRM
O=C([O-])c1cc(C(F)(F)F)nc2cc(F)ccc21	ZINC000096171877	304224129	/nfs/dbraw/zinc/22/41/29/304224129.db2.gz	NJMPTYKVHXUWMV-UHFFFAOYSA-N	-1	0	259.158	3.091	40	0		CGABRM
O=C([O-])c1cccc(-c2nc3ccccc3s2)n1	ZINC000034134194	304255188	/nfs/dbraw/zinc/25/51/88/304255188.db2.gz	LIRUESIVJCRCBW-UHFFFAOYSA-N	-1	0	256.286	3.057	40	0		CGABRM
O=C([O-])c1ccc2oc(-c3cccc(F)c3)nc2c1	ZINC000020222861	304254873	/nfs/dbraw/zinc/25/48/73/304254873.db2.gz	SMUVFADPJDTLHF-UHFFFAOYSA-N	-1	0	257.220	3.332	40	0		CGABRM
Cc1ccccc1Oc1ccc(NC(=O)/C=C\C(=O)[O-])cc1	ZINC000033766808	391972776	/nfs/dbraw/zinc/97/27/76/391972776.db2.gz	DOFNALMVJDRXGM-KHPPLWFESA-N	-1	0	297.310	3.367	40	0		CGABRM
COc1ccc(Cl)c2c(SCC(=O)[O-])cc(C)nc12	ZINC000064874714	392144378	/nfs/dbraw/zinc/14/43/78/392144378.db2.gz	AMXZLTINEQDTFW-UHFFFAOYSA-N	-1	0	297.763	3.382	40	0		CGABRM
CC[C@@H](C(=O)[O-])N(C)c1ccc(Cl)cc1Cl	ZINC000224994209	286746873	/nfs/dbraw/zinc/74/68/73/286746873.db2.gz	GIBIBAQWVMOERC-VIFPVBQESA-N	-1	0	262.136	3.293	40	0		CGABRM
CCC[C@@H](Nc1ccc(OC)c(Cl)c1)C(=O)[O-]	ZINC000008730674	170350810	/nfs/dbraw/zinc/35/08/10/170350810.db2.gz	YDSGCQCEQAKNAB-SNVBAGLBSA-N	-1	0	257.717	3.014	40	0		CGABRM
Cc1c(NC(=O)/C=C/c2ccccc2)cccc1C(=O)[O-]	ZINC000020145028	171030210	/nfs/dbraw/zinc/03/02/10/171030210.db2.gz	BIHMHEJKAAABOM-ZHACJKMWSA-N	-1	0	281.311	3.345	40	0		CGABRM
O=C([O-])/C=C/c1ccc(Br)cc1Cl	ZINC000063772423	175688279	/nfs/dbraw/zinc/68/82/79/175688279.db2.gz	IQASDWBWCLYMJB-DUXPYHPUSA-N	-1	0	261.502	3.200	40	0		CGABRM
O=C([O-])c1cc2c(Cl)cccc2nc1OCC1CC1	ZINC000685937107	544109451	/nfs/dbraw/zinc/10/94/51/544109451.db2.gz	KMVQPPFNGWBNBO-UHFFFAOYSA-N	-1	0	277.707	3.375	40	0		CGABRM
O=c1[nH]c2cccc(Br)c2c([O-])c1CC1CC1	ZINC000685936838	544109629	/nfs/dbraw/zinc/10/96/29/544109629.db2.gz	AKYUDXZANIMRMR-UHFFFAOYSA-N	-1	0	294.148	3.361	40	0		CGABRM
CC(C)(C)OC(=O)N1CCCc2ccc(C(=O)[O-])cc2C1	ZINC000096515741	278397497	/nfs/dbraw/zinc/39/74/97/278397497.db2.gz	QYIDJJOVRBBYAR-UHFFFAOYSA-N	-1	0	291.347	3.068	40	0		CGABRM
CC(C)(C)OC(=O)N1[C@@H](C(=O)[O-])CC[C@@H]1c1ccccc1	ZINC000006882701	278420104	/nfs/dbraw/zinc/42/01/04/278420104.db2.gz	ADTXMICUZGOWDF-CHWSQXEVSA-N	-1	0	291.347	3.212	40	0		CGABRM
C[C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])CC(C)(C)C1	ZINC000006525766	300433481	/nfs/dbraw/zinc/43/34/81/300433481.db2.gz	LCADKEWTKZOPFD-DGAVXFQQSA-N	-1	0	295.423	3.208	40	0		CGABRM
C[C@]1(C(=O)c2ccccc2)CC(Cl)=CC[C@@H]1C(=O)[O-]	ZINC000001710453	300786442	/nfs/dbraw/zinc/78/64/42/300786442.db2.gz	SIYRMVGXNONEDG-DOMZBBRYSA-N	-1	0	278.735	3.493	40	0		CGABRM
Cc1[nH]c2c(cc(C)cc2Br)c1CC(=O)[O-]	ZINC000001577688	300890920	/nfs/dbraw/zinc/89/09/20/300890920.db2.gz	XQOBDOFNCDJFHY-UHFFFAOYSA-N	-1	0	282.137	3.174	40	0		CGABRM
Cc1c2ccccc2nc(C(F)(F)F)c1CC(=O)[O-]	ZINC000085389006	301018226	/nfs/dbraw/zinc/01/82/26/301018226.db2.gz	ZAQSDASWRAURHQ-UHFFFAOYSA-N	-1	0	269.222	3.189	40	0		CGABRM
Cc1oc2cc([O-])ccc2c(=O)c1-c1nc2ccccc2[nH]1	ZINC000005445848	302872711	/nfs/dbraw/zinc/87/27/11/302872711.db2.gz	YWGPPYHEKOODTF-UHFFFAOYSA-N	-1	0	292.294	3.350	40	0		CGABRM
Cc1ccccc1C(=O)n1cc(C(=O)[O-])c2ccccc21	ZINC000098137512	230391337	/nfs/dbraw/zinc/39/13/37/230391337.db2.gz	MDSSMOBGZLMVPB-UHFFFAOYSA-N	-1	0	279.295	3.336	40	0		CGABRM
Cc1ccccc1/N=C/c1ccc(OCC(=O)[O-])cc1	ZINC000008570901	344874163	/nfs/dbraw/zinc/87/41/63/344874163.db2.gz	RZQKEGLCYVGTRL-LICLKQGHSA-N	-1	0	269.300	3.209	40	0		CGABRM
Cc1ccc(-n2nc(C(=O)[O-])nc2-c2ccccc2)cc1C	ZINC000008730857	344875026	/nfs/dbraw/zinc/87/50/26/344875026.db2.gz	GFVRKNQROWALEG-UHFFFAOYSA-N	-1	0	293.326	3.249	40	0		CGABRM
Cc1cc(C(=O)[O-])cc(C)c1OC(=O)c1ccccc1F	ZINC000256053964	346399758	/nfs/dbraw/zinc/39/97/58/346399758.db2.gz	UJTLEIKUYFQAJP-UHFFFAOYSA-N	-1	0	288.274	3.360	40	0		CGABRM
O=C(c1ccccc1)C1=C([O-])c2ccccc2CC1	ZINC000001583660	368421191	/nfs/dbraw/zinc/42/11/91/368421191.db2.gz	HUCQLDZSDDSFKF-OAHLLOKOSA-N	-1	0	250.297	3.315	40	0		CGABRM
O=C([O-])[C@@H](Cc1cccs1)C(=O)OCC1CCCCC1	ZINC000002042520	368444709	/nfs/dbraw/zinc/44/47/09/368444709.db2.gz	ZNWOWNPXVFXFIA-CYBMUJFWSA-N	-1	0	296.388	3.115	40	0		CGABRM
O=C(Nc1ccc(Cl)cc1)[P@@](=O)([O-])c1ccccc1	ZINC000001641078	368426422	/nfs/dbraw/zinc/42/64/22/368426422.db2.gz	YOBRVUAKVOKXSG-UHFFFAOYSA-N	-1	0	295.662	3.468	40	0		CGABRM
O=C([O-])c1cccnc1C(=O)Nc1cccc2ccccc21	ZINC000001732108	368435295	/nfs/dbraw/zinc/43/52/95/368435295.db2.gz	VBIKAWJVSBGONT-UHFFFAOYSA-N	-1	0	292.294	3.185	40	0		CGABRM
CC(C)(C)OC(=O)N1CC[C@H](c2cccc(C(=O)[O-])c2)C1	ZINC000002509816	368457912	/nfs/dbraw/zinc/45/79/12/368457912.db2.gz	KDPXLUYKVYWQEQ-ZDUSSCGKSA-N	-1	0	291.347	3.109	40	0		CGABRM
O=C([O-])COc1c(Cl)cc(Br)cc1Cl	ZINC000011951430	368600973	/nfs/dbraw/zinc/60/09/73/368600973.db2.gz	KFRDLTRJOVIYEF-UHFFFAOYSA-N	-1	0	299.935	3.219	40	0		CGABRM
O=C([O-])CC[C@@H]1CCCCN1C(=O)OCc1ccccc1	ZINC000026896637	368865176	/nfs/dbraw/zinc/86/51/76/368865176.db2.gz	RRGFIPDSIDEIDL-AWEZNQCLSA-N	-1	0	291.347	3.043	40	0		CGABRM
Cc1cc(SCC(=O)[O-])nc(-c2cccc(Cl)c2)n1	ZINC000049468878	369402663	/nfs/dbraw/zinc/40/26/63/369402663.db2.gz	DSEIJFQXDAPWJO-UHFFFAOYSA-N	-1	0	294.763	3.282	40	0		CGABRM
Cc1noc2nc(/C=C/c3cccs3)cc(C(=O)[O-])c12	ZINC000064876008	369662406	/nfs/dbraw/zinc/66/24/06/369662406.db2.gz	NOGKMEZDFFKQHW-SNAWJCMRSA-N	-1	0	286.312	3.461	40	0		CGABRM
O=C([O-])CC1(c2cccc(Br)c2)CCC1	ZINC000098213969	370269355	/nfs/dbraw/zinc/26/93/55/370269355.db2.gz	NSOLDZCHFTXWDM-UHFFFAOYSA-N	-1	0	269.138	3.346	40	0		CGABRM
O=C([O-])[C@H](Cc1ccccc1Cl)Oc1ccccc1	ZINC000145083313	371517608	/nfs/dbraw/zinc/51/76/08/371517608.db2.gz	CFRFRXYKYGEJTC-AWEZNQCLSA-N	-1	0	276.719	3.415	40	0		CGABRM
Cc1nc(OCc2cccc(Cl)c2)c(C(=O)[O-])s1	ZINC000145186881	371518167	/nfs/dbraw/zinc/51/81/67/371518167.db2.gz	GOGVHROZPQHYJD-UHFFFAOYSA-N	-1	0	283.736	3.382	40	0		CGABRM
O=C([O-])/C=C/NC(=O)Nc1ccccc1Oc1ccccc1	ZINC000222699166	376240965	/nfs/dbraw/zinc/24/09/65/376240965.db2.gz	WDUADHOPXQUFLW-ZHACJKMWSA-N	-1	0	298.298	3.199	40	0		CGABRM
O=C([O-])[C@H](Cc1ccccc1)Oc1ccccc1Cl	ZINC000225013389	376292053	/nfs/dbraw/zinc/29/20/53/376292053.db2.gz	CPOPVBMTXVTNDA-AWEZNQCLSA-N	-1	0	276.719	3.415	40	0		CGABRM
Cc1ccc(C[C@H](Oc2ccccc2)C(=O)[O-])c(C)c1	ZINC000225024783	376293186	/nfs/dbraw/zinc/29/31/86/376293186.db2.gz	MXRWDQPESDYTDZ-INIZCTEOSA-N	-1	0	270.328	3.378	40	0		CGABRM
CCCCO[C@H](Cc1cc(C)cc(C)c1)C(=O)[O-]	ZINC000225038439	376293759	/nfs/dbraw/zinc/29/37/59/376293759.db2.gz	XWVAXPOJNKAQKE-CQSZACIVSA-N	-1	0	250.338	3.116	40	0		CGABRM
CCCO[C@@H](Cc1cc(Cl)ccc1C)C(=O)[O-]	ZINC000225078620	376295441	/nfs/dbraw/zinc/29/54/41/376295441.db2.gz	JSYUKSDVLMEGMC-LBPRGKRZSA-N	-1	0	256.729	3.071	40	0		CGABRM
C=Cc1ccc(Cn2cc(C(=O)[O-])c(C(F)F)n2)cc1	ZINC000408717790	380021081	/nfs/dbraw/zinc/02/10/81/380021081.db2.gz	UMHQTTCHYGKDPT-UHFFFAOYSA-N	-1	0	278.258	3.210	40	0		CGABRM
CC(=O)OCc1cccc(-c2ccc(C(=O)[O-])cc2)c1	ZINC000409444191	380031170	/nfs/dbraw/zinc/03/11/70/380031170.db2.gz	SFOSIZOYHRZVOE-UHFFFAOYSA-N	-1	0	270.284	3.115	40	0		CGABRM
O=C([O-])c1cccc(-c2nc3cc(Cl)cnc3o2)c1	ZINC000078407024	304255149	/nfs/dbraw/zinc/25/51/49/304255149.db2.gz	FPNXVNZYCLBXBH-UHFFFAOYSA-N	-1	0	274.663	3.241	40	0		CGABRM
O=C([O-])c1cncc(-c2ccc(Br)cc2)c1	ZINC000032003965	304279488	/nfs/dbraw/zinc/27/94/88/304279488.db2.gz	DQZNYKNEGPFGCX-UHFFFAOYSA-N	-1	0	278.105	3.209	40	0		CGABRM
COc1cc(C(C)(C)C)c(Br)cc1C(=O)[O-]	ZINC000054965031	392094353	/nfs/dbraw/zinc/09/43/53/392094353.db2.gz	RTWBAMCAXBUUGE-UHFFFAOYSA-N	-1	0	287.153	3.453	40	0		CGABRM
O=C([O-])[C@@H]1C[C@@H]1c1ccc(-c2c(F)cccc2F)o1	ZINC000070453012	392183812	/nfs/dbraw/zinc/18/38/12/392183812.db2.gz	WMTNCACMRBTIHW-JGVFFNPUSA-N	-1	0	264.227	3.413	40	0		CGABRM
O=C([O-])[C@H]1C[C@H]1c1ccc(-c2c(F)cccc2F)o1	ZINC000070453009	392184162	/nfs/dbraw/zinc/18/41/62/392184162.db2.gz	WMTNCACMRBTIHW-SFYZADRCSA-N	-1	0	264.227	3.413	40	0		CGABRM
COc1cc(OCc2ccccc2)c(C(=O)[O-])s1	ZINC000096510884	392257844	/nfs/dbraw/zinc/25/78/44/392257844.db2.gz	DILBREKSUQZZKD-UHFFFAOYSA-N	-1	0	264.302	3.034	40	0		CGABRM
CC(C)(C)c1cc(Oc2ccc(C(=O)[O-])cc2)ncn1	ZINC000096531074	392258728	/nfs/dbraw/zinc/25/87/28/392258728.db2.gz	XKTYNSKUUHKEAV-UHFFFAOYSA-N	-1	0	272.304	3.265	40	0		CGABRM
Cc1[n-]n(-c2ccccc2)c(=O)c1-n1cc2ccccc2n1	ZINC000100988555	392269382	/nfs/dbraw/zinc/26/93/82/392269382.db2.gz	IIPDYVPNKBRACF-MRXNPFEDSA-N	-1	0	290.326	3.000	40	0		CGABRM
O=C([O-])CCCCCCCCCC[C@@H]1CC[C@H](O)[C@@H]1O	ZINC000004722554	170005338	/nfs/dbraw/zinc/00/53/38/170005338.db2.gz	NHWAOBNJSBDJAL-IJEWVQPXSA-N	-1	0	286.412	3.104	40	0	in-vitro	CGABRM
CC(C)Oc1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2)cc1	ZINC000020141835	171028380	/nfs/dbraw/zinc/02/83/80/171028380.db2.gz	DSGLWSNIRPTOAG-UHFFFAOYSA-N	-1	0	299.326	3.424	40	0		CGABRM
COc1c(C)cccc1C(=O)Nc1ccc(C(=O)[O-])cc1C	ZINC000020143025	171029164	/nfs/dbraw/zinc/02/91/64/171029164.db2.gz	WXIWRXUHYUBOTI-UHFFFAOYSA-N	-1	0	299.326	3.263	40	0		CGABRM
O=C([O-])c1c[nH]nc1-c1ccc(-c2ccccc2)cc1	ZINC000020439755	171203785	/nfs/dbraw/zinc/20/37/85/171203785.db2.gz	QXQFNNDCZBLZOU-UHFFFAOYSA-N	-1	0	264.284	3.442	40	0		CGABRM
O=C([O-])c1cc(Cc2ccccc2)cc(Cl)c1O	ZINC000030714756	171622015	/nfs/dbraw/zinc/62/20/15/171622015.db2.gz	MTAVONZYNBABDF-UHFFFAOYSA-N	-1	0	262.692	3.335	40	0		CGABRM
CCCc1nc2cc(C(=O)[O-])ccc2n1CC(C)C	ZINC000037309712	173112717	/nfs/dbraw/zinc/11/27/17/173112717.db2.gz	JYCMWOYNFCOFEH-UHFFFAOYSA-N	-1	0	260.337	3.343	40	0		CGABRM
Cc1ccccc1[C@H](NC(=O)OCc1ccccc1)C(=O)[O-]	ZINC000039957080	174179230	/nfs/dbraw/zinc/17/92/30/174179230.db2.gz	UWYCDYAVRFJIAP-HNNXBMFYSA-N	-1	0	299.326	3.047	40	0		CGABRM
Cc1nc(-c2ccc(C(C)C)cc2)ncc1C(=O)[O-]	ZINC000043557947	175065064	/nfs/dbraw/zinc/06/50/64/175065064.db2.gz	PCNLEOCSEXBWCG-UHFFFAOYSA-N	-1	0	256.305	3.274	40	0		CGABRM
CCOc1nc2cccc(C(F)(F)F)c2cc1C(=O)[O-]	ZINC000685936932	544109556	/nfs/dbraw/zinc/10/95/56/544109556.db2.gz	FWPCXSVHFCKJGI-UHFFFAOYSA-N	-1	0	285.221	3.351	40	0		CGABRM
CC(C)(C)OC(=O)N1CCC[C@@H]1c1ccccc1C(=O)[O-]	ZINC000002509820	278391824	/nfs/dbraw/zinc/39/18/24/278391824.db2.gz	NFDIHMAYENRHFG-CYBMUJFWSA-N	-1	0	291.347	3.457	40	0		CGABRM
CC[Si](CC)(CC)c1cc(C(=O)[O-])nc(F)c1Cl	ZINC000219786028	288504401	/nfs/dbraw/zinc/50/44/01/288504401.db2.gz	YILFUJAQPICYCC-UHFFFAOYSA-N	-1	0	289.810	3.288	40	0		CGABRM
Cn1c(C([O-])(C(F)(F)F)C(F)(F)F)cc2ccccc21	ZINC000096528082	294151433	/nfs/dbraw/zinc/15/14/33/294151433.db2.gz	IXIFGFPFWPIHFZ-UHFFFAOYSA-N	-1	0	297.198	3.491	40	0		CGABRM
Cc1c2ccccc2sc1-c1cc(C(=O)[O-])n[nH]1	ZINC000036627028	301021702	/nfs/dbraw/zinc/02/17/02/301021702.db2.gz	MFNSSLFRRRLYHV-UHFFFAOYSA-N	-1	0	258.302	3.298	40	0		CGABRM
Cc1[n-]n2c(nc(C(F)(F)F)cc2=O)c1-c1ccccc1	ZINC000100420807	302807185	/nfs/dbraw/zinc/80/71/85/302807185.db2.gz	SOPSOIPOHZKXKB-UHFFFAOYSA-N	-1	0	293.248	3.017	40	0		CGABRM
CCCN(c1ccccc1Cl)[C@H](CC)C(=O)[O-]	ZINC000260677380	328007136	/nfs/dbraw/zinc/00/71/36/328007136.db2.gz	BKIKMVHVSYEDLO-LLVKDONJSA-N	-1	0	255.745	3.420	40	0		CGABRM
CC(C)(C)NC(=S)Nc1cc(C(=O)[O-])ccc1Cl	ZINC000408586342	526325736	/nfs/dbraw/zinc/32/57/36/526325736.db2.gz	NOPZKCIFAXFXSJ-UHFFFAOYSA-N	-1	0	286.784	3.123	40	0		CGABRM
CC(C)(C)OC(=O)N1C[C@H](c2ccccc2)CC1C(=O)[O-]	ZINC001560408668	938257426	/nfs/dbraw/zinc/25/74/26/938257426.db2.gz	NHEMBIVVNSNXOD-GFCCVEGCSA-N	-1	0	290.339	3.028	40	0		CGABRM
Cn1nc(OCC2CCCCC2)c2ccc(C(=O)[O-])cc21	ZINC000225772474	230399728	/nfs/dbraw/zinc/39/97/28/230399728.db2.gz	AUWKTGVLEMRDRN-UHFFFAOYSA-N	-1	0	288.347	3.231	40	0		CGABRM
Cc1cc(C=C(C#N)C#N)c(C)n1-c1ccccc1C(=O)[O-]	ZINC000006962520	344865883	/nfs/dbraw/zinc/86/58/83/344865883.db2.gz	AOIXKLLKEORZLF-UHFFFAOYSA-N	-1	0	291.310	3.223	40	0		CGABRM
CC(=O)c1ccc(OCc2ccc(F)cc2)c(C(=O)[O-])c1	ZINC000085397465	179049713	/nfs/dbraw/zinc/04/97/13/179049713.db2.gz	CKAJZRKVLOIGKY-UHFFFAOYSA-N	-1	0	288.274	3.306	40	0		CGABRM
CCN(c1cccc(C(F)(F)F)c1)[C@H](C)C(=O)[O-]	ZINC000260679592	346402697	/nfs/dbraw/zinc/40/26/97/346402697.db2.gz	SHJFYTCGENKQSG-MRVPVSSYSA-N	-1	0	261.243	3.005	40	0		CGABRM
CCCN(c1cc(C)ccc1OC)[C@H](CC)C(=O)[O-]	ZINC000260680973	346402764	/nfs/dbraw/zinc/40/27/64/346402764.db2.gz	ZZQXSRUOUNFINE-GFCCVEGCSA-N	-1	0	265.353	3.083	40	0		CGABRM
CCN(CCCC(=O)[O-])c1cc(Cl)ccc1OC	ZINC000225002224	189743396	/nfs/dbraw/zinc/74/33/96/189743396.db2.gz	GXDNCDKCYWCCMG-UHFFFAOYSA-N	-1	0	271.744	3.040	40	0		CGABRM
CCCO[C@H](Cc1cccc2ccccc21)C(=O)[O-]	ZINC000225049786	189743653	/nfs/dbraw/zinc/74/36/53/189743653.db2.gz	WBVFUAZUKVBMQU-OAHLLOKOSA-N	-1	0	258.317	3.262	40	0		CGABRM
Cc1ccc(F)c(C(=O)c2ccccc2C(=O)[O-])c1	ZINC000001682084	368431593	/nfs/dbraw/zinc/43/15/93/368431593.db2.gz	AJGFSVDQLAUXDX-UHFFFAOYSA-N	-1	0	258.248	3.063	40	0		CGABRM
Nc1cc(C(=O)[O-])ccc1Nc1cccc(Cl)c1	ZINC000037930493	369126305	/nfs/dbraw/zinc/12/63/05/369126305.db2.gz	XTWXNQPVYSRDIK-UHFFFAOYSA-N	-1	0	262.696	3.364	40	0		CGABRM
Cc1nc(-c2cccc(C(F)(F)F)c2)ncc1C(=O)[O-]	ZINC000043557925	369254734	/nfs/dbraw/zinc/25/47/34/369254734.db2.gz	PLZBOZNNOBEKFN-UHFFFAOYSA-N	-1	0	282.221	3.169	40	0		CGABRM
O=C([O-])/C=C/c1cccc(NC(=O)C2CCCCC2)c1	ZINC000049591953	369412581	/nfs/dbraw/zinc/41/25/81/369412581.db2.gz	YKYHDMTYMQFNFS-MDZDMXLPSA-N	-1	0	273.332	3.303	40	0		CGABRM
C[C@@H](NC(=O)OCc1ccccc1)c1ccc(C(=O)[O-])cc1	ZINC000095080276	370170965	/nfs/dbraw/zinc/17/09/65/370170965.db2.gz	XZHNWUGYLBANCU-GFCCVEGCSA-N	-1	0	299.326	3.372	40	0		CGABRM
O=C([O-])c1cnc(COc2c(Cl)cccc2Cl)nc1	ZINC000217380081	376172784	/nfs/dbraw/zinc/17/27/84/376172784.db2.gz	ZDMAYLCETMRHMA-UHFFFAOYSA-N	-1	0	299.113	3.061	40	0		CGABRM
COCCc1ccc(C(=O)[O-])n1Cc1ccc(Cl)cc1	ZINC000226030987	376339296	/nfs/dbraw/zinc/33/92/96/376339296.db2.gz	BZJRYJBZSHRLOT-UHFFFAOYSA-N	-1	0	293.750	3.077	40	0		CGABRM
O=C([O-])c1conc1-c1cccc(Cl)c1Cl	ZINC000226099705	376340839	/nfs/dbraw/zinc/34/08/39/376340839.db2.gz	ZBJMVWDYMVZQAX-UHFFFAOYSA-N	-1	0	258.060	3.347	40	0		CGABRM
O=C([O-])[C@H](Cc1ccccc1)Oc1cccc(Cl)c1	ZINC000225013476	376291846	/nfs/dbraw/zinc/29/18/46/376291846.db2.gz	PLRWYEJDLPLAGZ-AWEZNQCLSA-N	-1	0	276.719	3.415	40	0		CGABRM
Cc1ccc(C[C@@H](Oc2cccc(C)c2)C(=O)[O-])cc1	ZINC000225019609	376292963	/nfs/dbraw/zinc/29/29/63/376292963.db2.gz	VCDBZRYNVMKSIT-MRXNPFEDSA-N	-1	0	270.328	3.378	40	0		CGABRM
CCCCO[C@H](Cc1ccc(C)cc1C)C(=O)[O-]	ZINC000225027250	376293737	/nfs/dbraw/zinc/29/37/37/376293737.db2.gz	QQJPSRHVPVQSLS-CQSZACIVSA-N	-1	0	250.338	3.116	40	0		CGABRM
O=C([O-])[C@H](Cc1ccc(F)cc1)OCc1ccccc1	ZINC000225055454	376293894	/nfs/dbraw/zinc/29/38/94/376293894.db2.gz	OOKCYJQOWICGSY-HNNXBMFYSA-N	-1	0	274.291	3.038	40	0		CGABRM
Cc1cc(Cl)ccc1C[C@H](OCC(C)C)C(=O)[O-]	ZINC000225076226	376295276	/nfs/dbraw/zinc/29/52/76/376295276.db2.gz	FXBAJLQQTPXFMM-ZDUSSCGKSA-N	-1	0	270.756	3.317	40	0		CGABRM
O=C([O-])c1c2c(nc3ccc(Br)cc31)CCC2	ZINC000000873855	304217964	/nfs/dbraw/zinc/21/79/64/304217964.db2.gz	AWKCBARNJSXTJY-UHFFFAOYSA-N	-1	0	292.132	3.184	40	0		CGABRM
O=c1[nH]c2cccc(F)c2c([O-])c1-c1ccccc1	ZINC000219498141	542287144	/nfs/dbraw/zinc/28/71/44/542287144.db2.gz	QHQQZPAGFUBGRD-UHFFFAOYSA-N	-1	0	255.248	3.040	40	0		CGABRM
O=C([O-])c1cccc2c1C(=O)N(c1ccc(Cl)cc1)C2	ZINC000039320206	304265714	/nfs/dbraw/zinc/26/57/14/304265714.db2.gz	RUNKJZDLGBGLPP-UHFFFAOYSA-N	-1	0	287.702	3.199	40	0		CGABRM
O=C([O-])c1[nH]c(=O)c2ccccc2c1Nc1ccccc1	ZINC000008652341	304283068	/nfs/dbraw/zinc/28/30/68/304283068.db2.gz	OJXHEZPSOZLUIE-UHFFFAOYSA-N	-1	0	280.283	3.382	40	0		CGABRM
CCCc1c(C)ncnc1Oc1ccc(C(=O)[O-])cc1	ZINC000096531078	392259035	/nfs/dbraw/zinc/25/90/35/392259035.db2.gz	DYDLHUKMDCHWDG-UHFFFAOYSA-N	-1	0	272.304	3.228	40	0		CGABRM
Cc1ccc(C(=O)Nc2cccc(C(=O)[O-])c2)cc1C	ZINC000005814871	170142428	/nfs/dbraw/zinc/14/24/28/170142428.db2.gz	RAQDTKYZUYIZNT-UHFFFAOYSA-N	-1	0	269.300	3.254	40	0		CGABRM
Cc1ccc(Oc2ccc(NCC(=O)[O-])cc2)cc1	ZINC000008702690	170347480	/nfs/dbraw/zinc/34/74/80/170347480.db2.gz	XRVGGLULTAOVOR-UHFFFAOYSA-N	-1	0	257.289	3.284	40	0		CGABRM
CCCCCCC(=O)Nc1cc(C)c(O)c(C(=O)[O-])c1	ZINC000020136685	171023565	/nfs/dbraw/zinc/02/35/65/171023565.db2.gz	GCCKLVNBNIEERX-UHFFFAOYSA-N	-1	0	279.336	3.308	40	0		CGABRM
O=C([O-])c1ccc(NC(=O)c2ccccc2F)cc1Cl	ZINC000020137718	171025454	/nfs/dbraw/zinc/02/54/54/171025454.db2.gz	GTROTRSUKDRNGJ-UHFFFAOYSA-N	-1	0	293.681	3.430	40	0		CGABRM
O=C([O-])c1cc(Cl)c(OCc2ccccc2)cc1O	ZINC000226346376	416521918	/nfs/dbraw/zinc/52/19/18/416521918.db2.gz	METSKHUUKJZSSO-UHFFFAOYSA-N	-1	0	278.691	3.323	40	0		CGABRM
CCOc1ccc2[n-]c(C(F)F)c(C)c(=O)c2c1	ZINC000685938031	544110155	/nfs/dbraw/zinc/11/01/55/544110155.db2.gz	HCURBLGFWQPFMU-UHFFFAOYSA-N	-1	0	253.248	3.173	40	0		CGABRM
CC(C)(C)c1ncc(/C=C/c2cc(C(=O)[O-])ccn2)cn1	ZINC000666086375	419189167	/nfs/dbraw/zinc/18/91/67/419189167.db2.gz	GCSWEWSMGGJXEU-SNAWJCMRSA-N	-1	0	283.331	3.038	40	0		CGABRM
CC(C)(C)OC(=O)N1CCC[C@H]1c1ccc(C(=O)[O-])cc1	ZINC000002509818	278395654	/nfs/dbraw/zinc/39/56/54/278395654.db2.gz	PPLCFZBVANBKEC-ZDUSSCGKSA-N	-1	0	291.347	3.457	40	0		CGABRM
CC(C)(C)c1ccc(-c2ncc(C(=O)[O-])cn2)cc1	ZINC000058042119	278559074	/nfs/dbraw/zinc/55/90/74/278559074.db2.gz	RAHPCHNJBSIZSU-UHFFFAOYSA-N	-1	0	256.305	3.139	40	0		CGABRM
COc1ccc2c(c1)N([C@@H](C)C(=O)[O-])C(C)(C)C[C@@H]2C	ZINC000223191754	295265386	/nfs/dbraw/zinc/26/53/86/295265386.db2.gz	XYNSJWSRUUNYOV-QWRGUYRKSA-N	-1	0	277.364	3.261	40	0		CGABRM
O=S(=O)([O-])[C@H](Nc1cccc(Cl)c1)c1ccccc1	ZINC000001559040	304768388	/nfs/dbraw/zinc/76/83/88/304768388.db2.gz	KXPLNSQXRZFXNV-ZDUSSCGKSA-N	-1	0	297.763	3.339	40	0		CGABRM
Cc1nc2ccccc2nc1CNc1ccc(C(=O)[O-])cc1	ZINC000016265222	302667872	/nfs/dbraw/zinc/66/78/72/302667872.db2.gz	MKNSRHLOBGPXEM-UHFFFAOYSA-N	-1	0	293.326	3.249	40	0		CGABRM
Cc1cc(C(=O)CCCC(=O)[O-])cc(C)c1Cl	ZINC000095739494	185024052	/nfs/dbraw/zinc/02/40/52/185024052.db2.gz	ZJLZAHZNOBNECP-UHFFFAOYSA-N	-1	0	254.713	3.394	40	0		CGABRM
CCCN(c1ccc(Br)cc1)[C@H](C)C(=O)[O-]	ZINC000260679603	346402639	/nfs/dbraw/zinc/40/26/39/346402639.db2.gz	SLMUVJJLGZZEEL-SECBINFHSA-N	-1	0	286.169	3.139	40	0		CGABRM
CCN(c1cccc(C(F)(F)F)c1)[C@@H](C)C(=O)[O-]	ZINC000224996298	535416131	/nfs/dbraw/zinc/41/61/31/535416131.db2.gz	SHJFYTCGENKQSG-QMMMGPOBSA-N	-1	0	261.243	3.005	40	0		CGABRM
O=S(=O)([N-]c1cccc(Cl)c1)c1ccc(F)s1	ZINC000225387459	189748209	/nfs/dbraw/zinc/74/82/09/189748209.db2.gz	NQGMIDNDLWMULF-UHFFFAOYSA-N	-1	0	291.756	3.341	40	0		CGABRM
CCOC(=O)C=C([O-])c1cc(F)c(Cl)cc1Cl	ZINC000002243156	368449962	/nfs/dbraw/zinc/44/99/62/368449962.db2.gz	POKPUCWXUHWGMX-UHFFFAOYSA-N	-1	0	279.094	3.268	40	0		CGABRM
CCCCC[C@](C)(O)[C@H](C(=O)[O-])c1ccccc1	ZINC000001646354	368426551	/nfs/dbraw/zinc/42/65/51/368426551.db2.gz	YCNLFXQTGMHGQE-ZFWWWQNUSA-N	-1	0	250.338	3.186	40	0		CGABRM
O=C([O-])c1ccccc1Cc1c[nH]c2ccccc12	ZINC000001679239	368430088	/nfs/dbraw/zinc/43/00/88/368430088.db2.gz	UKOWEQHFZIOAJN-UHFFFAOYSA-N	-1	0	251.285	3.457	40	0		CGABRM
CN(C(=O)OC(C)(C)C)[C@@H](CC1CCCCC1)C(=O)[O-]	ZINC000002507642	368457660	/nfs/dbraw/zinc/45/76/60/368457660.db2.gz	AFDTWSLGUIJFTE-LBPRGKRZSA-N	-1	0	285.384	3.277	40	0		CGABRM
CC1(C)[C@@H]([C@H](O)Cc2ccccc2)CC[C@]1(C)C(=O)[O-]	ZINC000003846041	368521012	/nfs/dbraw/zinc/52/10/12/368521012.db2.gz	GHNNJPAHRGNFBK-CKEIUWERSA-N	-1	0	276.376	3.117	40	0		CGABRM
Cc1ccc(-c2cc3ccccc3oc2=O)cc1C(=O)[O-]	ZINC000005795079	368564976	/nfs/dbraw/zinc/56/49/76/368564976.db2.gz	YPLQWABIHMCWTC-UHFFFAOYSA-N	-1	0	280.279	3.467	40	0		CGABRM
O=C([O-])/C=C\c1nc2ccccc2nc1-c1ccccc1	ZINC000017060331	368727289	/nfs/dbraw/zinc/72/72/89/368727289.db2.gz	YPUVOFWFSKCSCS-KHPPLWFESA-N	-1	0	276.295	3.395	40	0		CGABRM
CCC(=O)c1c2sc(=O)oc2c2ccccc2c1[O-]	ZINC000016382733	368712528	/nfs/dbraw/zinc/71/25/28/368712528.db2.gz	UAFZYKSZJJTUOC-UHFFFAOYSA-N	-1	0	274.297	3.306	40	0		CGABRM
O=C([O-])[C@@H]1[C@H](C(=O)Nc2cccc(Cl)c2)[C@@H]2CC[C@H]1C2	ZINC000036008864	369005797	/nfs/dbraw/zinc/00/57/97/369005797.db2.gz	GFWRORRWALMWRD-DTVLGXAZSA-N	-1	0	293.750	3.025	40	0		CGABRM
O=C([O-])CCc1ccc(OCc2ccc(F)cc2)cc1	ZINC000036194777	369014691	/nfs/dbraw/zinc/01/46/91/369014691.db2.gz	RSVXOKJCAINYRZ-UHFFFAOYSA-N	-1	0	274.291	3.422	40	0		CGABRM
CCSc1ncc(C(=O)[O-])c(Nc2ccccc2)n1	ZINC000049469690	369404051	/nfs/dbraw/zinc/40/40/51/369404051.db2.gz	MECWAGDXADJSGX-UHFFFAOYSA-N	-1	0	275.333	3.030	40	0		CGABRM
O=C([O-])C[C@H](c1ccccc1)[S@@](=O)c1ccccc1	ZINC000073633110	369863356	/nfs/dbraw/zinc/86/33/56/369863356.db2.gz	VSLYGZHYHJSLAX-AUUYWEPGSA-N	-1	0	274.341	3.010	40	0		CGABRM
CC(C)(C)OC(=O)N1CC[C@@H](C(=O)[O-])[C@H]1c1ccccc1	ZINC000085344318	370017583	/nfs/dbraw/zinc/01/75/83/370017583.db2.gz	JNMGJNQZIAVFJE-CHWSQXEVSA-N	-1	0	291.347	3.069	40	0		CGABRM
O=C([O-])[C@@H](Cc1ccccc1Cl)Oc1ccccc1	ZINC000145083536	371518327	/nfs/dbraw/zinc/51/83/27/371518327.db2.gz	CFRFRXYKYGEJTC-CQSZACIVSA-N	-1	0	276.719	3.415	40	0		CGABRM
CCN1c2cc(OC)c(C(=O)[O-])cc2C(C)=CC1(C)C	ZINC000223794865	376262965	/nfs/dbraw/zinc/26/29/65/376262965.db2.gz	LVHXXVYQUYSPEN-UHFFFAOYSA-N	-1	0	275.348	3.415	40	0		CGABRM
C[C@H]1CC(C)(C)N(CC(=O)[O-])c2cc(F)ccc21	ZINC000223828197	376264846	/nfs/dbraw/zinc/26/48/46/376264846.db2.gz	YUTBSIQAIXDFIZ-VIFPVBQESA-N	-1	0	251.301	3.003	40	0		CGABRM
Cc1cccc(C[C@H](Oc2cccc(C)c2)C(=O)[O-])c1	ZINC000225017210	376293239	/nfs/dbraw/zinc/29/32/39/376293239.db2.gz	GIJCVVGKOFOLMK-INIZCTEOSA-N	-1	0	270.328	3.378	40	0		CGABRM
COc1cccc(C[C@H](Oc2ccc(C)cc2)C(=O)[O-])c1	ZINC000225098898	376295016	/nfs/dbraw/zinc/29/50/16/376295016.db2.gz	UWHLSSBPMGSXGZ-INIZCTEOSA-N	-1	0	286.327	3.078	40	0		CGABRM
CCOc1ccc(C[C@H](Oc2ccccc2)C(=O)[O-])cc1	ZINC000225106384	376295371	/nfs/dbraw/zinc/29/53/71/376295371.db2.gz	NHHCXCFZVDVYKS-INIZCTEOSA-N	-1	0	286.327	3.160	40	0		CGABRM
Cn1cc(Cc2ccccc2C(=O)[O-])sc1=S	ZINC000225392548	376305775	/nfs/dbraw/zinc/30/57/75/376305775.db2.gz	OOPOXQHAPBZUDX-UHFFFAOYSA-N	-1	0	265.359	3.105	40	0		CGABRM
CCc1cn(-c2cc(C(=O)[O-])cc(C(F)(F)F)c2)cn1	ZINC000228963249	376456263	/nfs/dbraw/zinc/45/62/63/376456263.db2.gz	STXFKUZHUJENQB-UHFFFAOYSA-N	-1	0	284.237	3.152	40	0		CGABRM
Cc1nc(SCc2ccccc2)ccc1C(=O)[O-]	ZINC000072224485	256704104	/nfs/dbraw/zinc/70/41/04/256704104.db2.gz	ILRJXVMSEPSZLZ-UHFFFAOYSA-N	-1	0	259.330	3.381	40	0		CGABRM
O=C([O-])c1cnc2c(Cl)cccc2c1Br	ZINC000085386603	304278871	/nfs/dbraw/zinc/27/88/71/304278871.db2.gz	VGSVZYXHPSOCGT-UHFFFAOYSA-N	-1	0	286.512	3.349	40	0		CGABRM
O=C([O-])c1ccc(OCCC(F)(F)C(F)(F)F)cc1	ZINC000095094054	184941977	/nfs/dbraw/zinc/94/19/77/184941977.db2.gz	JFDZKXRNRPZDQW-UHFFFAOYSA-N	-1	0	284.180	3.351	40	0		CGABRM
O=C([O-])CO[C@H](c1cccc(Cl)c1)C(F)(F)F	ZINC000095096424	184943711	/nfs/dbraw/zinc/94/37/11/184943711.db2.gz	MZMSXINXDHRUHC-SECBINFHSA-N	-1	0	268.618	3.045	40	0		CGABRM
O=C([O-])c1cc(=O)[nH]cc1-c1csc(C(F)F)c1	ZINC000575628828	542764084	/nfs/dbraw/zinc/76/40/84/542764084.db2.gz	BGQSTRBRTOQACJ-UHFFFAOYSA-N	-1	0	271.244	3.152	40	0		CGABRM
Nc1cccc(C(=O)[O-])c1Nc1ccccc1Cl	ZINC000006733691	170236361	/nfs/dbraw/zinc/23/63/61/170236361.db2.gz	OQUDQFCNBSUBEY-UHFFFAOYSA-N	-1	0	262.696	3.364	40	0		CGABRM
O=C([O-])c1cccc2nc(-c3cccs3)cnc21	ZINC000006744200	170238905	/nfs/dbraw/zinc/23/89/05/170238905.db2.gz	HBRZTXRQVLWXMI-UHFFFAOYSA-N	-1	0	256.286	3.057	40	0		CGABRM
O=C([O-])c1cnc(Nc2cccc3ccccc32)nc1	ZINC000008702955	170347650	/nfs/dbraw/zinc/34/76/50/170347650.db2.gz	MMJWAJKTAXDCAL-UHFFFAOYSA-N	-1	0	265.272	3.072	40	0		CGABRM
COc1ccc(SCC(=O)[O-])c(Cl)c1Cl	ZINC000039643424	174171651	/nfs/dbraw/zinc/17/16/51/174171651.db2.gz	IYONGRTWRRPTPU-UHFFFAOYSA-N	-1	0	267.133	3.179	40	0		CGABRM
O=C([O-])c1ccccc1NC(=S)NC1CCCCC1	ZINC000040141888	174194231	/nfs/dbraw/zinc/19/42/31/174194231.db2.gz	SMEZQYKMBWJWIN-UHFFFAOYSA-N	-1	0	278.377	3.004	40	0		CGABRM
CCCN(CC(=O)[O-])c1cc(Cl)cc(Cl)c1	ZINC000076673820	177055218	/nfs/dbraw/zinc/05/52/18/177055218.db2.gz	UHLFGYDQTARIJU-UHFFFAOYSA-N	-1	0	262.136	3.294	40	0		CGABRM
CC(C)Oc1nc2cc(Cl)ccc2cc1C(=O)[O-]	ZINC000685937733	544110336	/nfs/dbraw/zinc/11/03/36/544110336.db2.gz	YNSWNMGHLIICSH-UHFFFAOYSA-N	-1	0	265.696	3.374	40	0		CGABRM
O=C([O-])[C@H]1CC[C@H](C(=O)c2ccccc2Cl)CC1	ZINC000100449752	227341025	/nfs/dbraw/zinc/34/10/25/227341025.db2.gz	IQLQWFUANKQTCJ-AOOOYVTPSA-N	-1	0	266.724	3.414	40	0		CGABRM
C[C@H]1CCCC[C@H]1N(CCC(=O)[O-])C(=O)OC(C)(C)C	ZINC000582468935	418933867	/nfs/dbraw/zinc/93/38/67/418933867.db2.gz	HYFMLESBANFGDH-NWDGAFQWSA-N	-1	0	285.384	3.277	40	0		CGABRM
Cc1cc(C)c(S(=O)(=O)[O-])c(Cc2ccccc2)c1	ZINC000001595578	301200826	/nfs/dbraw/zinc/20/08/26/301200826.db2.gz	PACDQWFBTMAARY-UHFFFAOYSA-N	-1	0	276.357	3.141	40	0		CGABRM
Cc1cc(C)c2c(c1)nc(Br)c(F)c2C(=O)[O-]	ZINC000090376419	301213519	/nfs/dbraw/zinc/21/35/19/301213519.db2.gz	BGLPIPQHETVTAT-UHFFFAOYSA-N	-1	0	298.111	3.451	40	0		CGABRM
Cc1ccc(N2N=C(C(=O)[O-])C[C@@H]2c2ccccc2)cc1	ZINC000071978946	301631570	/nfs/dbraw/zinc/63/15/70/301631570.db2.gz	HSGVCVOERNHAIG-MRXNPFEDSA-N	-1	0	280.327	3.387	40	0		CGABRM
CC(/C=C/C(=O)[O-])=C\C[C@H](O)/C(C)=C/CC[C@@H](C)[C@@H](C)O	ZINC000031166609	623666172	/nfs/dbraw/zinc/66/61/72/623666172.db2.gz	RCKDDMWGRIYLCN-XCCSBUCBSA-N	-1	0	296.407	3.068	40	0	biogenic,in-vitro	CGABRM
Cc1ccc(/N=C/c2ccccc2OCC(=O)[O-])cc1	ZINC000008371977	344874332	/nfs/dbraw/zinc/87/43/32/344874332.db2.gz	FZUZFWVXCGPWKY-LICLKQGHSA-N	-1	0	269.300	3.209	40	0		CGABRM
O=c1cc(C(F)(F)F)[n-]n1-c1ccccc1Cl	ZINC000116603632	345978892	/nfs/dbraw/zinc/97/88/92/345978892.db2.gz	NXNADWPCBBCTJO-UHFFFAOYSA-N	-1	0	262.618	3.250	40	0		CGABRM
CC(=O)c1ccc(OCc2cccc(F)c2)c(C(=O)[O-])c1	ZINC000085397464	179049990	/nfs/dbraw/zinc/04/99/90/179049990.db2.gz	GVVXAFLSMJWQHC-UHFFFAOYSA-N	-1	0	288.274	3.306	40	0		CGABRM
Cc1c(C(=O)[O-])c2ccccc2n1C(=O)c1ccccc1	ZINC000140767503	187909181	/nfs/dbraw/zinc/90/91/81/187909181.db2.gz	DIATUAQELAUKKZ-UHFFFAOYSA-N	-1	0	279.295	3.336	40	0		CGABRM
O=C([O-])[C@@H]1CC(=O)N(c2ccc3c(c2)oc2ccccc23)C1	ZINC000045957721	304097940	/nfs/dbraw/zinc/09/79/40/304097940.db2.gz	LHPSKUBZNVSMMS-SNVBAGLBSA-N	-1	0	295.294	3.024	40	0		CGABRM
CC(C)O[C@@H](Cc1ccc(C(C)C)cc1)C(=O)[O-]	ZINC000225047164	189743484	/nfs/dbraw/zinc/74/34/84/189743484.db2.gz	WLTKHSMHVXERAR-AWEZNQCLSA-N	-1	0	250.338	3.231	40	0		CGABRM
COc1ccc(CCCC(=O)[O-])c2c(OC)cccc12	ZINC000001646275	368426172	/nfs/dbraw/zinc/42/61/72/368426172.db2.gz	WUNYGHPIWPIADH-UHFFFAOYSA-N	-1	0	274.316	3.264	40	0		CGABRM
O=C([O-])[C@@H]1[C@H](C(=O)Nc2ccc(Cl)cc2)[C@@H]2CC[C@H]1C2	ZINC000004157328	368534207	/nfs/dbraw/zinc/53/42/07/368534207.db2.gz	XIRVDRLLUMERCX-DTVLGXAZSA-N	-1	0	293.750	3.025	40	0		CGABRM
Nc1cc(C(=O)[O-])ccc1NC1CCCCCCC1	ZINC000037930373	369125997	/nfs/dbraw/zinc/12/59/97/369125997.db2.gz	ALGBLSZINHPQSW-UHFFFAOYSA-N	-1	0	262.353	3.492	40	0		CGABRM
COc1ccccc1C(=O)n1cc(C(=O)[O-])c2ccccc21	ZINC000098152427	370267596	/nfs/dbraw/zinc/26/75/96/370267596.db2.gz	DMZFZVQSQFPGSC-UHFFFAOYSA-N	-1	0	295.294	3.037	40	0		CGABRM
Cc1cccc(C(=O)Oc2cccc(/C=C/C(=O)[O-])c2)c1	ZINC000216943340	376169957	/nfs/dbraw/zinc/16/99/57/376169957.db2.gz	DKXGWPMKYBIFRE-CMDGGOBGSA-N	-1	0	282.295	3.312	40	0		CGABRM
C[C@@H]1CC(C)(C)N(C)c2cc(F)c(C(=O)[O-])cc21	ZINC000223778418	376262326	/nfs/dbraw/zinc/26/23/26/376262326.db2.gz	SBFTVMXWFIAWGV-MRVPVSSYSA-N	-1	0	251.301	3.246	40	0		CGABRM
COc1cccc(O[C@H](Cc2ccccc2C)C(=O)[O-])c1	ZINC000225015823	376291372	/nfs/dbraw/zinc/29/13/72/376291372.db2.gz	BAELJXNLKZZRRI-MRXNPFEDSA-N	-1	0	286.327	3.078	40	0		CGABRM
CC(C)O[C@H](Cc1ccc(C(C)C)cc1)C(=O)[O-]	ZINC000225047209	376293095	/nfs/dbraw/zinc/29/30/95/376293095.db2.gz	WLTKHSMHVXERAR-CQSZACIVSA-N	-1	0	250.338	3.231	40	0		CGABRM
Cc1cccc(C[C@@H](Oc2ccccc2)C(=O)[O-])c1C	ZINC000225021839	376293380	/nfs/dbraw/zinc/29/33/80/376293380.db2.gz	ROCCHFICKGZSKY-MRXNPFEDSA-N	-1	0	270.328	3.378	40	0		CGABRM
CCc1ccccc1C[C@H](OCc1ccccc1)C(=O)[O-]	ZINC000225042020	376293610	/nfs/dbraw/zinc/29/36/10/376293610.db2.gz	YDESHLDYGAYOGZ-KRWDZBQOSA-N	-1	0	284.355	3.462	40	0		CGABRM
Cc1ccc(C[C@@H](Oc2ccccc2)C(=O)[O-])c(C)c1	ZINC000225024746	376293966	/nfs/dbraw/zinc/29/39/66/376293966.db2.gz	MXRWDQPESDYTDZ-MRXNPFEDSA-N	-1	0	270.328	3.378	40	0		CGABRM
Cc1cc(Cl)ccc1C[C@H](OC(C)C)C(=O)[O-]	ZINC000225076041	376295144	/nfs/dbraw/zinc/29/51/44/376295144.db2.gz	IGYPMTBDXBFPTI-LBPRGKRZSA-N	-1	0	256.729	3.069	40	0		CGABRM
CCOc1cc(C(=O)[O-])c(Cl)cc1OCC(C)C	ZINC000225284892	376300420	/nfs/dbraw/zinc/30/04/20/376300420.db2.gz	HAAUUCYCEURLCX-UHFFFAOYSA-N	-1	0	272.728	3.472	40	0		CGABRM
O=C([O-])c1cc2c(ncnc2NC2CCCCC2)s1	ZINC000217690808	304228709	/nfs/dbraw/zinc/22/87/09/304228709.db2.gz	RXXSSNUMGBPFRW-UHFFFAOYSA-N	-1	0	277.349	3.134	40	0		CGABRM
CCc1noc2nc(-c3ccccc3)cc(C(=O)[O-])c12	ZINC000062710645	392132009	/nfs/dbraw/zinc/13/20/09/392132009.db2.gz	AQTVRXASABZCPO-UHFFFAOYSA-N	-1	0	268.272	3.150	40	0		CGABRM
O=C([O-])C1(c2cc(-c3ccc(Cl)cc3)on2)CC1	ZINC000072220593	392201700	/nfs/dbraw/zinc/20/17/00/392201700.db2.gz	BBEBVUPIDMOJLK-UHFFFAOYSA-N	-1	0	263.680	3.111	40	0		CGABRM
CC(C)COc1cc2oc(=O)c(C(=O)[O-])cc2cc1Cl	ZINC000072219776	392202015	/nfs/dbraw/zinc/20/20/15/392202015.db2.gz	ZJDFNNLPXVXBON-UHFFFAOYSA-N	-1	0	296.706	3.179	40	0		CGABRM
CCOCCOc1c(Cl)c(Cl)sc1C(=O)[O-]	ZINC000096511028	392257771	/nfs/dbraw/zinc/25/77/71/392257771.db2.gz	WEYNQLSGIIRYQW-UHFFFAOYSA-N	-1	0	285.148	3.168	40	0		CGABRM
Cc1ccc2ncc(C(=O)[O-])c(Br)c2c1	ZINC000085386629	397641289	/nfs/dbraw/zinc/64/12/89/397641289.db2.gz	QQYHMEXEOIFYMX-UHFFFAOYSA-N	-1	0	266.094	3.004	40	0		CGABRM
COc1ccc(-n2[n-]c(-c3ccccc3OC)cc2=O)cc1	ZINC000009939701	170391268	/nfs/dbraw/zinc/39/12/68/170391268.db2.gz	RWHSFTRELLGQHG-UHFFFAOYSA-N	-1	0	296.326	3.262	40	0		CGABRM
CCCCCCOc1ccc(O[C@@H](C)C(=O)[O-])cc1	ZINC000013609170	170568833	/nfs/dbraw/zinc/56/88/33/170568833.db2.gz	OUWBJVZIENWHAC-LBPRGKRZSA-N	-1	0	266.337	3.498	40	0		CGABRM
O=C([O-])c1ccc(NC(=O)c2cccs2)cc1Cl	ZINC000020139450	171026193	/nfs/dbraw/zinc/02/61/93/171026193.db2.gz	ODWJOQLTENEUBA-UHFFFAOYSA-N	-1	0	281.720	3.352	40	0		CGABRM
CC(C)(C)OC(=O)N1CCC(CC2CCC2)(C(=O)[O-])CC1	ZINC000093116727	278381634	/nfs/dbraw/zinc/38/16/34/278381634.db2.gz	YGPJXRQENYLTCG-UHFFFAOYSA-N	-1	0	297.395	3.279	40	0		CGABRM
CC(C)Cc1sc(C(=O)[O-])cc1Br	ZINC000085393183	279250857	/nfs/dbraw/zinc/25/08/57/279250857.db2.gz	LCCWMTNHDGVKJZ-UHFFFAOYSA-N	-1	0	263.156	3.407	40	0		CGABRM
CC1CCC(C(O)(C(=O)[O-])C2CCC(C)CC2)CC1	ZINC000001710975	281709578	/nfs/dbraw/zinc/70/95/78/281709578.db2.gz	ILPAYQULMWOZRQ-UHFFFAOYSA-N	-1	0	268.397	3.455	40	0		CGABRM
COc1cc2c(cc1C(=O)[O-])[C@@H](C)CC(C)(C)N2C	ZINC000223778903	295033350	/nfs/dbraw/zinc/03/33/50/295033350.db2.gz	MBKQXGJDOWUSQA-VIFPVBQESA-N	-1	0	263.337	3.115	40	0		CGABRM
C[C@H](C(=O)[O-])N1c2cc(F)ccc2[C@@H](C)CC1(C)C	ZINC000223829704	298217276	/nfs/dbraw/zinc/21/72/76/298217276.db2.gz	DCXSYZDBTIOBPF-VHSXEESVSA-N	-1	0	265.328	3.391	40	0		CGABRM
Cc1[nH]c2c(c1C)c(Br)c(F)cc2C(=O)[O-]	ZINC000211528121	300890852	/nfs/dbraw/zinc/89/08/52/300890852.db2.gz	ZWCNWPFSOARSPO-UHFFFAOYSA-N	-1	0	286.100	3.385	40	0		CGABRM
Nc1ccc(Cl)c2sc(C(=O)[O-])c(Cl)c21	ZINC000228933868	303495792	/nfs/dbraw/zinc/49/57/92/303495792.db2.gz	FANAVTGIBPGWRX-UHFFFAOYSA-N	-1	0	262.117	3.489	40	0		CGABRM
O=c1oc2ccccc2c([O-])c1Oc1ccccc1	ZINC000006575484	304819726	/nfs/dbraw/zinc/81/97/26/304819726.db2.gz	FHVRPXVOHYVCQA-UHFFFAOYSA-N	-1	0	254.241	3.291	40	0		CGABRM
Cc1ccc2c(c1)N([C@H](C)C(=O)[O-])C(C)(C)C=C2C	ZINC000260613201	327945121	/nfs/dbraw/zinc/94/51/21/327945121.db2.gz	DNQBAVIQXDGZAY-GFCCVEGCSA-N	-1	0	259.349	3.470	40	0		CGABRM
CCc1ccc(N(Cc2ccccc2)C(=O)[O-])nc1	ZINC000521825120	333210676	/nfs/dbraw/zinc/21/06/76/333210676.db2.gz	XHHHDMPKLZRCCT-UHFFFAOYSA-N	-1	0	256.305	3.329	40	0		CGABRM
C[C@@H](O)CCCCCCCCCCC[C@H](O)CC(=O)[O-]	ZINC000225461064	346304073	/nfs/dbraw/zinc/30/40/73/346304073.db2.gz	IGEZKJDTCCZVOD-CABCVRRESA-N	-1	0	288.428	3.494	40	0	biogenic,in-vitro	CGABRM
CO[C@@H](C)c1ccc(OCC(=O)[O-])c2ccccc21	ZINC000085390901	179048051	/nfs/dbraw/zinc/04/80/51/179048051.db2.gz	VCVMQTOHTNCPKH-JTQLQIEISA-N	-1	0	260.289	3.011	40	0		CGABRM
CCc1nc(-c2cc(C(=O)[O-])c3ccccn23)cs1	ZINC000104472473	186007358	/nfs/dbraw/zinc/00/73/58/186007358.db2.gz	VGHHDRCKAPXLTR-UHFFFAOYSA-N	-1	0	272.329	3.323	40	0		CGABRM
O=C([O-])CN1c2ccccc2CCc2ccccc21	ZINC000001436276	304068183	/nfs/dbraw/zinc/06/81/83/304068183.db2.gz	FVNZNQZCRCFHSI-UHFFFAOYSA-N	-1	0	253.301	3.008	40	0		CGABRM
O=C([O-])C[C@@H](NC(=O)C1CCCCC1)c1ccc(F)cc1	ZINC000000203425	368314349	/nfs/dbraw/zinc/31/43/49/368314349.db2.gz	RETFOGQYBJEATB-CQSZACIVSA-N	-1	0	293.338	3.038	40	0		CGABRM
CCCCC[C@@](C)(O)[C@H](C(=O)[O-])c1ccccc1	ZINC000001646355	368426110	/nfs/dbraw/zinc/42/61/10/368426110.db2.gz	YCNLFXQTGMHGQE-DZGCQCFKSA-N	-1	0	250.338	3.186	40	0		CGABRM
O=C([O-])COc1ccccc1-c1ccccc1Cl	ZINC000001628221	368424982	/nfs/dbraw/zinc/42/49/82/368424982.db2.gz	MNLZCEVZAYJART-UHFFFAOYSA-N	-1	0	262.692	3.470	40	0		CGABRM
O=C1Oc2ccccc2CC1=C([O-])c1ccc(Cl)cc1	ZINC000005767183	368565196	/nfs/dbraw/zinc/56/51/96/368565196.db2.gz	QNJZZUAVGUSZMP-CYBMUJFWSA-N	-1	0	286.714	3.301	40	0		CGABRM
Cc1ccc(C)c(NC(=O)COc2cccc(C(=O)[O-])c2)c1	ZINC000013080001	368642423	/nfs/dbraw/zinc/64/24/23/368642423.db2.gz	BUHNYQHWKCFFIF-UHFFFAOYSA-N	-1	0	299.326	3.019	40	0		CGABRM
Cc1cc(C(=O)[O-])ccc1NC(=O)c1cccc(F)c1	ZINC000013391163	368653737	/nfs/dbraw/zinc/65/37/37/368653737.db2.gz	CTEZSNONHYCWOS-UHFFFAOYSA-N	-1	0	273.263	3.085	40	0		CGABRM
Cc1csc(-c2coc3cc([O-])c(C)cc3c2=O)n1	ZINC000016284574	368711776	/nfs/dbraw/zinc/71/17/76/368711776.db2.gz	LMBIYSITKWCXTG-UHFFFAOYSA-N	-1	0	273.313	3.239	40	0		CGABRM
O=C([O-])[C@H](Sc1n[nH]c2c1CCCC2)c1ccccc1	ZINC000016477142	368714077	/nfs/dbraw/zinc/71/40/77/368714077.db2.gz	AOXLVXUJHGBLFC-CYBMUJFWSA-N	-1	0	288.372	3.207	40	0		CGABRM
O=C([O-])c1ccc(OCCCCCCCCO)cc1	ZINC000016697995	368719593	/nfs/dbraw/zinc/71/95/93/368719593.db2.gz	LRASJGAVDXWHOV-UHFFFAOYSA-N	-1	0	266.337	3.097	40	0		CGABRM
COc1cccc(CNc2cccc(C(=O)[O-])c2)c1	ZINC000032110063	368924814	/nfs/dbraw/zinc/92/48/14/368924814.db2.gz	YBXFGDLMKXIDBZ-UHFFFAOYSA-N	-1	0	257.289	3.006	40	0		CGABRM
CCc1ccc(-n2nc(C)c(CCC(=O)[O-])c2C)cc1	ZINC000041407282	369184400	/nfs/dbraw/zinc/18/44/00/369184400.db2.gz	XBYWRVPCFJZPQS-UHFFFAOYSA-N	-1	0	272.348	3.069	40	0		CGABRM
Cc1noc2nc(/C=C/c3ccccc3)cc(C(=O)[O-])c12	ZINC000064876001	369662878	/nfs/dbraw/zinc/66/28/78/369662878.db2.gz	UFMSJAYIQMZXSR-BQYQJAHWSA-N	-1	0	280.283	3.400	40	0		CGABRM
COc1cccc(-c2cc(C(=O)[O-])nn2-c2ccccc2)c1	ZINC000062423916	369624260	/nfs/dbraw/zinc/62/42/60/369624260.db2.gz	FRJHBZCUKYBGAI-UHFFFAOYSA-N	-1	0	294.310	3.246	40	0		CGABRM
CC(C)(C)[C@@H]1C[C@@H](Oc2cccc(N)c2)CCN1C(=O)[O-]	ZINC000098213386	370269047	/nfs/dbraw/zinc/26/90/47/370269047.db2.gz	XWXAYHNMDRHAQS-KBPBESRZSA-N	-1	0	292.379	3.205	40	0		CGABRM
Cc1cn(C(C)C)nc1NCc1ccccc1C(=O)[O-]	ZINC000256050156	190002889	/nfs/dbraw/zinc/00/28/89/190002889.db2.gz	CYJZVYQFWGGGIU-UHFFFAOYSA-N	-1	0	273.336	3.083	40	0		CGABRM
O=C([O-])c1c(Br)cc(F)cc1Br	ZINC000196204353	376119177	/nfs/dbraw/zinc/11/91/77/376119177.db2.gz	ZYBAQKCBAGCGGY-UHFFFAOYSA-N	-1	0	297.905	3.049	40	0		CGABRM
CCCN(c1ccc(Br)cc1)[C@@H](C)C(=O)[O-]	ZINC000224990168	376289927	/nfs/dbraw/zinc/28/99/27/376289927.db2.gz	SLMUVJJLGZZEEL-VIFPVBQESA-N	-1	0	286.169	3.139	40	0		CGABRM
CC[C@@H](Sc1n[nH]c(-c2cccc(Cl)c2)n1)C(=O)[O-]	ZINC000224975743	376290285	/nfs/dbraw/zinc/29/02/85/376290285.db2.gz	GQEDOYVHDLOFDI-SECBINFHSA-N	-1	0	297.767	3.080	40	0		CGABRM
Cc1ccc(O[C@H](Cc2ccccc2)C(=O)[O-])cc1	ZINC000225013300	376291700	/nfs/dbraw/zinc/29/17/00/376291700.db2.gz	ZUULHCCJYSFSCN-OAHLLOKOSA-N	-1	0	256.301	3.070	40	0		CGABRM
CC[C@@H](C(=O)[O-])N(CC)c1cccc(C(F)(F)F)c1	ZINC000224996411	376292148	/nfs/dbraw/zinc/29/21/48/376292148.db2.gz	TWAOVPRCXLAQOR-NSHDSACASA-N	-1	0	275.270	3.395	40	0		CGABRM
CC(C)CO[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)[O-]	ZINC000225095669	376295463	/nfs/dbraw/zinc/29/54/63/376295463.db2.gz	PMWQPKDJJWDEMA-LBPRGKRZSA-N	-1	0	290.281	3.374	40	0		CGABRM
O=C([O-])c1c(F)c(Br)ccc1C(F)(F)F	ZINC000258837325	304217164	/nfs/dbraw/zinc/21/71/64/304217164.db2.gz	RKZPJSHYXKADHH-UHFFFAOYSA-N	-1	0	287.006	3.305	40	0		CGABRM
O=C([O-])c1ncc(-c2cccc(Br)c2)s1	ZINC000199792084	304283902	/nfs/dbraw/zinc/28/39/02/304283902.db2.gz	YMNGCQVYBJJABG-UHFFFAOYSA-N	-1	0	284.134	3.271	40	0		CGABRM
COc1ccc(C(=O)Nc2ccccc2[S-])cc1	ZINC000016216373	170690665	/nfs/dbraw/zinc/69/06/65/170690665.db2.gz	OHUILODVXYXXRI-UHFFFAOYSA-N	-1	0	259.330	3.236	40	0		CGABRM
Cc1csc(-c2coc3c(C)c([O-])ccc3c2=O)n1	ZINC000016363206	170695217	/nfs/dbraw/zinc/69/52/17/170695217.db2.gz	YHOADXLRAAAKCM-UHFFFAOYSA-N	-1	0	273.313	3.239	40	0		CGABRM
O=C([O-])/C=C/c1c[nH]c2cccc(Br)c12	ZINC000020269240	171125258	/nfs/dbraw/zinc/12/52/58/171125258.db2.gz	NBIPARIWYVDONI-SNAWJCMRSA-N	-1	0	266.094	3.028	40	0		CGABRM
O=C([O-])c1cccc(-c2ccccc2OC(F)(F)F)n1	ZINC000035630178	172311471	/nfs/dbraw/zinc/31/14/71/172311471.db2.gz	OSWRNYCILGQIJR-UHFFFAOYSA-N	-1	0	283.205	3.345	40	0		CGABRM
O=C([O-])c1c(O)cccc1CSc1ccccc1	ZINC000035973571	172426841	/nfs/dbraw/zinc/42/68/41/172426841.db2.gz	YLAXWQBBDJBRJK-UHFFFAOYSA-N	-1	0	260.314	3.383	40	0		CGABRM
O=C([O-])C1CC(Cc2cccc(Br)c2)C1	ZINC000084171622	416495148	/nfs/dbraw/zinc/49/51/48/416495148.db2.gz	UABPTLJAQFLZLW-UHFFFAOYSA-N	-1	0	269.138	3.102	40	0		CGABRM
C[C@H]1CCCN(c2ccc(C(=O)[O-])cc2Br)C1	ZINC000039952473	299852902	/nfs/dbraw/zinc/85/29/02/299852902.db2.gz	VKBVRCPGRKIKKT-VIFPVBQESA-N	-1	0	298.180	3.384	40	0		CGABRM
Cc1ccc(NCC(C)(C)C(=O)[O-])c(Br)c1	ZINC000082551800	260186482	/nfs/dbraw/zinc/18/64/82/260186482.db2.gz	AJDNSJAKINCFEP-UHFFFAOYSA-N	-1	0	286.169	3.280	40	0		CGABRM
CCc1cccc2c(Br)c(C(=O)[O-])cnc12	ZINC000085386409	288582212	/nfs/dbraw/zinc/58/22/12/288582212.db2.gz	DBWVOMFZBLOKAE-UHFFFAOYSA-N	-1	0	280.121	3.258	40	0		CGABRM
Cc1cccc2c1ncc(C(=O)[O-])c2C(F)(F)F	ZINC000034583189	302067564	/nfs/dbraw/zinc/06/75/64/302067564.db2.gz	PEFPJVWAZDPLJF-UHFFFAOYSA-N	-1	0	255.195	3.260	40	0		CGABRM
O=C([O-])c1cn(C(=O)c2ccc(F)cc2)c2ccccc12	ZINC000098139557	230391557	/nfs/dbraw/zinc/39/15/57/230391557.db2.gz	YVPPJCIYPHLTIL-UHFFFAOYSA-N	-1	0	283.258	3.167	40	0		CGABRM
CSc1ccc(F)c(C(=O)[O-])c1Br	ZINC000238416123	295676663	/nfs/dbraw/zinc/67/66/63/295676663.db2.gz	YXYNAVIINRCIBN-UHFFFAOYSA-N	-1	0	265.103	3.008	40	0		CGABRM
CCOc1ccc(/N=C/c2ccc(OCC(=O)[O-])cc2)cc1	ZINC000006962561	344866104	/nfs/dbraw/zinc/86/61/04/344866104.db2.gz	IIVZSYPILMLVPZ-WOJGMQOQSA-N	-1	0	299.326	3.299	40	0		CGABRM
COC(=O)[C@@H](CC(=O)[O-])C1c2ccccc2-c2ccccc21	ZINC000085388806	179047226	/nfs/dbraw/zinc/04/72/26/179047226.db2.gz	VVUBHJCGKWFKRV-HNNXBMFYSA-N	-1	0	296.322	3.063	40	0		CGABRM
CO[C@H](C)c1ccc(OCC(=O)[O-])c2ccccc21	ZINC000085390905	179047707	/nfs/dbraw/zinc/04/77/07/179047707.db2.gz	VCVMQTOHTNCPKH-SNVBAGLBSA-N	-1	0	260.289	3.011	40	0		CGABRM
Cc1nn(-c2ccc(Cl)cc2F)c(C)c1CCC(=O)[O-]	ZINC000085398114	179050644	/nfs/dbraw/zinc/05/06/44/179050644.db2.gz	MZNBLZDDSCDLOL-UHFFFAOYSA-N	-1	0	296.729	3.299	40	0		CGABRM
COc1ccc(-c2ccccc2)cc1C(=O)CCC(=O)[O-]	ZINC000001700529	368432706	/nfs/dbraw/zinc/43/27/06/368432706.db2.gz	JZNVUWXADKXBEO-UHFFFAOYSA-N	-1	0	284.311	3.410	40	0		CGABRM
COc1ccc(-c2c(C)c3c(O)cc([O-])cc3oc2=O)cc1	ZINC000002573896	368466905	/nfs/dbraw/zinc/46/69/05/368466905.db2.gz	LDPFFBMVNPOFIZ-UHFFFAOYSA-N	-1	0	298.294	3.188	40	0		CGABRM
O=S(=O)([O-])c1ccc2c(c1)Sc1ccccc1O2	ZINC000004743695	368558477	/nfs/dbraw/zinc/55/84/77/368558477.db2.gz	ZFXPIQSWCPZRPP-UHFFFAOYSA-N	-1	0	280.326	3.190	40	0		CGABRM
C[C@@H]1Cc2cc(CNc3cccc(C(=O)[O-])c3)ccc2O1	ZINC000010299675	368579518	/nfs/dbraw/zinc/57/95/18/368579518.db2.gz	IFWNVBXWLHNNDO-LLVKDONJSA-N	-1	0	283.327	3.320	40	0		CGABRM
Cc1[n-]n(-c2ccccc2)c(=O)c1Cc1ccccc1	ZINC000016607843	368716778	/nfs/dbraw/zinc/71/67/78/368716778.db2.gz	RYGSWLNQJYEQQO-INIZCTEOSA-N	-1	0	264.328	3.268	40	0		CGABRM
Cc1nc(=O)c2sc3cccc(Cl)c3c2[n-]1	ZINC000040478771	369156945	/nfs/dbraw/zinc/15/69/45/369156945.db2.gz	WSBFIALCUDNBGU-UHFFFAOYSA-N	-1	0	250.710	3.100	40	0		CGABRM
Cc1nc(N2CCCCCC2)c(Cl)cc1C(=O)[O-]	ZINC000095097597	370176197	/nfs/dbraw/zinc/17/61/97/370176197.db2.gz	XFYWKKKVWOTDNT-UHFFFAOYSA-N	-1	0	268.744	3.122	40	0		CGABRM
CC(C)(C)[C@H]1C[C@@H](Oc2cccc(N)c2)CCN1C(=O)[O-]	ZINC000098213387	370269263	/nfs/dbraw/zinc/26/92/63/370269263.db2.gz	XWXAYHNMDRHAQS-UONOGXRCSA-N	-1	0	292.379	3.205	40	0		CGABRM
CCc1cc(=O)n2[n-]c(C)c(-c3cccs3)c2n1	ZINC000100163359	370273009	/nfs/dbraw/zinc/27/30/09/370273009.db2.gz	KOVAGMYCWOSJPO-UHFFFAOYSA-N	-1	0	259.334	3.034	40	0		CGABRM
C[C@H]1CC[C@@](C)([C@H](NC(=O)OC(C)(C)C)C(=O)[O-])C1(C)C	ZINC000217715594	376179017	/nfs/dbraw/zinc/17/90/17/376179017.db2.gz	RLBFEEYIVDMPQR-USBNGQNGSA-N	-1	0	299.411	3.427	40	0		CGABRM
O=C([O-])c1sc(-c2ccccc2)nc1OC(F)F	ZINC000218269016	376187670	/nfs/dbraw/zinc/18/76/70/376187670.db2.gz	RXWBUPBITUSZKL-UHFFFAOYSA-N	-1	0	271.244	3.110	40	0		CGABRM
CCCN(c1cccc(Br)c1)[C@@H](C)C(=O)[O-]	ZINC000224989569	376290407	/nfs/dbraw/zinc/29/04/07/376290407.db2.gz	IYYHZPJRCWQLBU-VIFPVBQESA-N	-1	0	286.169	3.139	40	0		CGABRM
CCCO[C@@H](Cc1ccc(Cl)cc1C)C(=O)[O-]	ZINC000225075910	376295452	/nfs/dbraw/zinc/29/54/52/376295452.db2.gz	YHVCKEBRZBIIDD-LBPRGKRZSA-N	-1	0	256.729	3.071	40	0		CGABRM
C[C@@H]1CC(C)(C)N(CC(=O)[O-])c2ccc(F)cc21	ZINC000223186496	296286453	/nfs/dbraw/zinc/28/64/53/296286453.db2.gz	AWHUOGURCJIRNJ-SECBINFHSA-N	-1	0	251.301	3.003	40	0		CGABRM
O=C([O-])c1c(Br)c(Cl)nc2ccccc21	ZINC000095096643	304216856	/nfs/dbraw/zinc/21/68/56/304216856.db2.gz	AASGWEKMPGEOGZ-UHFFFAOYSA-N	-1	0	286.512	3.349	40	0		CGABRM
C[C@H](Sc1ccccc1NC(=O)C1CCCC1)C(=O)[O-]	ZINC000008732951	299579937	/nfs/dbraw/zinc/57/99/37/299579937.db2.gz	KWMSEKZKWXREGS-JTQLQIEISA-N	-1	0	293.388	3.381	40	0		CGABRM
O=C([O-])CCCOc1cc2occc2cc1Cl	ZINC000072219768	256707165	/nfs/dbraw/zinc/70/71/65/256707165.db2.gz	GCAKNMPYXSNOAG-UHFFFAOYSA-N	-1	0	254.669	3.330	40	0		CGABRM
CC(C)C[C@@H](NC(=O)SCc1ccccc1)C(=O)[O-]	ZINC000006159710	391925477	/nfs/dbraw/zinc/92/54/77/391925477.db2.gz	ZXXIEIHCERDVBD-GFCCVEGCSA-N	-1	0	281.377	3.129	40	0		CGABRM
O=C([O-])[C@H]1C[C@@H]1c1ccc(-c2c(F)cccc2F)o1	ZINC000070453010	392183658	/nfs/dbraw/zinc/18/36/58/392183658.db2.gz	WMTNCACMRBTIHW-YUMQZZPRSA-N	-1	0	264.227	3.413	40	0		CGABRM
Cc1c(C(=O)[O-])sc2nc(-c3ccccc3C)cn12	ZINC000040438161	397610895	/nfs/dbraw/zinc/61/08/95/397610895.db2.gz	BFUOMHQXSFVXKK-UHFFFAOYSA-N	-1	0	272.329	3.378	40	0		CGABRM
O=C([O-])COc1c(Cl)cc(Cl)c2cccnc21	ZINC000001704693	169745843	/nfs/dbraw/zinc/74/58/43/169745843.db2.gz	NJYVIGAFFXUJHS-UHFFFAOYSA-N	-1	0	272.087	3.005	40	0	in-vitro	CGABRM
O=C([O-])[C@H](c1ccccc1)C1(O)CCCCCCC1	ZINC000001734010	169752275	/nfs/dbraw/zinc/75/22/75/169752275.db2.gz	DLAJFOAZEIHIHR-AWEZNQCLSA-N	-1	0	262.349	3.330	40	0		CGABRM
Cc1cc(C)nc(SCc2ccc(C(=O)[O-])cc2)n1	ZINC000003856031	169917306	/nfs/dbraw/zinc/91/73/06/169917306.db2.gz	HLMZPDLFGDYXPB-UHFFFAOYSA-N	-1	0	274.345	3.084	40	0		CGABRM
COc1ccc(/C=C/C(=O)Nc2ccc(C(=O)[O-])cc2)cc1	ZINC000005513449	170106360	/nfs/dbraw/zinc/10/63/60/170106360.db2.gz	GYRIWAZWWDYAIM-NYYWCZLTSA-N	-1	0	297.310	3.045	40	0		CGABRM
COc1ccc(C)cc1Nc1nc(C)c(C(=O)[O-])s1	ZINC000020156557	171039250	/nfs/dbraw/zinc/03/92/50/171039250.db2.gz	IBSKFRXRKNRUBA-UHFFFAOYSA-N	-1	0	278.333	3.210	40	0		CGABRM
CCn1c(CCCC(=O)[O-])nc2cc(Cl)ccc21	ZINC000037440153	173210376	/nfs/dbraw/zinc/21/03/76/173210376.db2.gz	VRDIZBFWOAKGJI-UHFFFAOYSA-N	-1	0	266.728	3.117	40	0		CGABRM
Nc1cc(C(=O)[O-])ccc1Nc1ccccc1Cl	ZINC000037930523	173868973	/nfs/dbraw/zinc/86/89/73/173868973.db2.gz	DSFIOFPCRIZSGO-UHFFFAOYSA-N	-1	0	262.696	3.364	40	0		CGABRM
CC(C)(C)OC(=O)Nc1c2ccccc2[nH]c1C(=O)[O-]	ZINC000044909766	175275327	/nfs/dbraw/zinc/27/53/27/175275327.db2.gz	IDGSEFLAQXOTIK-UHFFFAOYSA-N	-1	0	276.292	3.213	40	0		CGABRM
Cc1cc(F)cc2c3nn(-c4ccccc4)c(=O)c-3c[n-]c12	ZINC000064874758	280526342	/nfs/dbraw/zinc/52/63/42/280526342.db2.gz	GXRGNFHWJXVJJB-UHFFFAOYSA-N	-1	0	293.301	3.315	40	0		CGABRM
Cc1[n-]n(-c2ccccc2)c(=O)c1-n1cc2ccccc2n1	ZINC000016607887	281701975	/nfs/dbraw/zinc/70/19/75/281701975.db2.gz	IIPDYVPNKBRACF-INIZCTEOSA-N	-1	0	290.326	3.000	40	0		CGABRM
CCn1c2ccccc2c2cc(S(=O)(=O)[O-])ccc21	ZINC000059053576	288691915	/nfs/dbraw/zinc/69/19/15/288691915.db2.gz	IRPOVYWUAZBTFQ-UHFFFAOYSA-N	-1	0	275.329	3.061	40	0		CGABRM
COc1cc2sc(C(=O)[O-])c(Cl)c2c(OC)c1	ZINC000020284956	295045602	/nfs/dbraw/zinc/04/56/02/295045602.db2.gz	JXASVEHAEHTRRQ-UHFFFAOYSA-N	-1	0	272.709	3.270	40	0		CGABRM
COc1ccc2c(c1)N([C@H](C)C(=O)[O-])C(C)(C)C[C@@H]2C	ZINC000260625020	327960717	/nfs/dbraw/zinc/96/07/17/327960717.db2.gz	XYNSJWSRUUNYOV-WDEREUQCSA-N	-1	0	277.364	3.261	40	0		CGABRM
CC[C@H](Cc1ccccc1OC(F)(F)F)C(=O)[O-]	ZINC000062711286	522315277	/nfs/dbraw/zinc/31/52/77/522315277.db2.gz	NDIGYJBKBDOGHN-MRVPVSSYSA-N	-1	0	262.227	3.239	40	0		CGABRM
CC(=O)C(=C([O-])c1ccc(C)cc1)C1SCCS1	ZINC000101461145	527119017	/nfs/dbraw/zinc/11/90/17/527119017.db2.gz	SDPPBJRAWRNWKK-LBPRGKRZSA-N	-1	0	280.414	3.189	40	0		CGABRM
C[C@@H](O)CCCCCCCCCCC[C@@H](O)CC(=O)[O-]	ZINC000219959456	230397256	/nfs/dbraw/zinc/39/72/56/230397256.db2.gz	IGEZKJDTCCZVOD-HUUCEWRRSA-N	-1	0	288.428	3.494	40	0	biogenic,in-vitro	CGABRM
O=C([O-])c1ccc(/C=C2\Sc3ccccc3NC2=O)cc1	ZINC000003029270	344857776	/nfs/dbraw/zinc/85/77/76/344857776.db2.gz	XHRRJVHLILPVRD-ZROIWOOFSA-N	-1	0	297.335	3.470	40	0		CGABRM
Cc1c(C(=O)[O-])c(C(F)(F)F)nn1C1CCCC1	ZINC000044831545	345017418	/nfs/dbraw/zinc/01/74/18/345017418.db2.gz	BUQZPMDRMJKUIP-UHFFFAOYSA-N	-1	0	262.231	3.024	40	0		CGABRM
O=C([O-])/C(=C/c1ccncc1)Sc1nc2ccccc2[nH]1	ZINC000050547851	345083122	/nfs/dbraw/zinc/08/31/22/345083122.db2.gz	MQQMIPNKEVUFOM-LCYFTJDESA-N	-1	0	297.339	3.176	40	0		CGABRM
CN(c1ccc2ccc(C(=O)[O-])cn21)c1ccccc1	ZINC000104983757	186037333	/nfs/dbraw/zinc/03/73/33/186037333.db2.gz	FNKDNXGCSPVWRM-UHFFFAOYSA-N	-1	0	266.300	3.405	40	0		CGABRM
O=C([O-])/C=C/c1ccc(C(F)(F)F)c(F)c1F	ZINC000002504966	304023855	/nfs/dbraw/zinc/02/38/55/304023855.db2.gz	VUAKUTVSNDFCLF-DUXPYHPUSA-N	-1	0	252.138	3.081	40	0		CGABRM
COc1ccc(C[C@@H](Sc2ccccc2)C(=O)[O-])cc1	ZINC000199705918	189683304	/nfs/dbraw/zinc/68/33/04/189683304.db2.gz	CCFDCEBULLMQNK-OAHLLOKOSA-N	-1	0	288.368	3.483	40	0		CGABRM
[O-]c1ccc(Cl)cc1Cc1cc(Cl)cc(CO)c1O	ZINC000001622123	368425082	/nfs/dbraw/zinc/42/50/82/368425082.db2.gz	ZPKIOZCAYYKQKW-UHFFFAOYSA-N	-1	0	299.153	3.488	40	0		CGABRM
C[C@@H](Oc1ccc(F)cc1)c1ccc(C(=O)[O-])o1	ZINC000011891943	368597882	/nfs/dbraw/zinc/59/78/82/368597882.db2.gz	JHLQRYOOKKHALO-MRVPVSSYSA-N	-1	0	250.225	3.257	40	0		CGABRM
CCOc1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2C)cc1	ZINC000013391160	368653323	/nfs/dbraw/zinc/65/33/23/368653323.db2.gz	UAPHCIFOXLAFGT-UHFFFAOYSA-N	-1	0	299.326	3.344	40	0		CGABRM
Cc1cc(OCC(=O)[O-])c(Br)c(C)c1Cl	ZINC000026509951	368861339	/nfs/dbraw/zinc/86/13/39/368861339.db2.gz	WZVRKVTWSSEPHM-UHFFFAOYSA-N	-1	0	293.544	3.183	40	0		CGABRM
CC(C)CCC[C@H]1CC[C@H](C(=O)[O-])[C@H](C(=O)[O-])C1	ZINC000045071001	369274353	/nfs/dbraw/zinc/27/43/53/369274353.db2.gz	ZVEOVTRRNBJHNK-SDDRHHMPSA-N	-1	0	256.342	3.014	40	0		CGABRM
Nc1ccc(NC2CCCCCCC2)c(C(=O)[O-])c1	ZINC000058013970	369552731	/nfs/dbraw/zinc/55/27/31/369552731.db2.gz	XKCRAHKOEWDTPZ-UHFFFAOYSA-N	-1	0	262.353	3.492	40	0		CGABRM
C[C@@H](Nc1ncnc2scc(-c3ccccc3)c21)C(=O)[O-]	ZINC000006176112	296166982	/nfs/dbraw/zinc/16/69/82/296166982.db2.gz	JILRVONTUYODMN-SECBINFHSA-N	-1	0	299.355	3.243	40	0		CGABRM
CC(C)(C)OC(=O)N[C@@]1(C)CC[C@@](C)(C(=O)[O-])C1(C)C	ZINC000146764847	371517955	/nfs/dbraw/zinc/51/79/55/371517955.db2.gz	RERDYONOOJBIOP-GJZGRUSLSA-N	-1	0	285.384	3.181	40	0		CGABRM
O=C([O-])c1cc(OCc2cccc(F)c2)cc(Cl)c1O	ZINC000216846443	376168728	/nfs/dbraw/zinc/16/87/28/376168728.db2.gz	GCJBUGLEILTOMY-UHFFFAOYSA-N	-1	0	296.681	3.462	40	0		CGABRM
COc1ccccc1O[C@@H](Cc1ccccc1C)C(=O)[O-]	ZINC000225015675	376291979	/nfs/dbraw/zinc/29/19/79/376291979.db2.gz	LDRISBRGRXHVRU-INIZCTEOSA-N	-1	0	286.327	3.078	40	0		CGABRM
CC[Si](CC)(CC)c1c(F)cc(C(=O)[O-])cc1F	ZINC000195834641	572526197	/nfs/dbraw/zinc/52/61/97/572526197.db2.gz	MEAGTXUXQMNFCS-UHFFFAOYSA-N	-1	0	272.367	3.379	40	0		CGABRM
O=C([O-])c1c[nH]nc1-c1cc(Cl)cc(Cl)c1	ZINC000071980900	304274661	/nfs/dbraw/zinc/27/46/61/304274661.db2.gz	ADZFOKUBZQTOSC-UHFFFAOYSA-N	-1	0	257.076	3.082	40	0		CGABRM
O=C([O-])c1ncccc1-c1cccc(Br)c1	ZINC000072209378	304284272	/nfs/dbraw/zinc/28/42/72/304284272.db2.gz	FCYBHTNYOZPSAP-UHFFFAOYSA-N	-1	0	278.105	3.209	40	0		CGABRM
O=C([O-])c1sc2cc(-n3ccnc3)ccc2c1Cl	ZINC000228950080	304285689	/nfs/dbraw/zinc/28/56/89/304285689.db2.gz	PPIIKGCDUPCCAV-UHFFFAOYSA-N	-1	0	278.720	3.439	40	0		CGABRM
Cc1nc(SCc2ccccc2)c(C(=O)[O-])s1	ZINC000218308479	130767824	/nfs/dbraw/zinc/76/78/24/130767824.db2.gz	DAQCZTXWYCHTTM-UHFFFAOYSA-N	-1	0	265.359	3.442	40	0		CGABRM
O=C([O-])[C@H]1C[C@H]1c1ccc(-c2ccc(F)cc2F)o1	ZINC000070452945	392182088	/nfs/dbraw/zinc/18/20/88/392182088.db2.gz	YPYOXQBMIWTSEQ-ZJUUUORDSA-N	-1	0	264.227	3.413	40	0		CGABRM
O=C([O-])c1cc(-c2ccc(C(F)F)s2)c[nH]c1=O	ZINC000575628981	542764079	/nfs/dbraw/zinc/76/40/79/542764079.db2.gz	HJDBLGQQCFTDEB-UHFFFAOYSA-N	-1	0	271.244	3.152	40	0		CGABRM
CCOC(=O)c1cccc(-c2ccc(/C=C/C(=O)[O-])o2)c1	ZINC000008729568	170350218	/nfs/dbraw/zinc/35/02/18/170350218.db2.gz	SEYDENZZQRQHKC-VQHVLOKHSA-N	-1	0	286.283	3.221	40	0		CGABRM
CCC[C@H](Nc1ccc(OC)c(Cl)c1)C(=O)[O-]	ZINC000008730673	170350651	/nfs/dbraw/zinc/35/06/51/170350651.db2.gz	YDSGCQCEQAKNAB-JTQLQIEISA-N	-1	0	257.717	3.014	40	0		CGABRM
C=COCCc1c(C)[n-]n(-c2ccc(C)c(C)c2)c1=O	ZINC000009937139	170391662	/nfs/dbraw/zinc/39/16/62/170391662.db2.gz	SQPJHTRACGIYAF-UHFFFAOYSA-N	-1	0	272.348	3.206	40	0		CGABRM
CCc1ccc(C(=O)Nc2cc(C(=O)[O-])ccc2OC)cc1	ZINC000020137548	171025221	/nfs/dbraw/zinc/02/52/21/171025221.db2.gz	PKZAKEPXMGGBND-UHFFFAOYSA-N	-1	0	299.326	3.208	40	0		CGABRM
Cc1oc2c(c1C(=O)[O-])C(=O)C[C@@H](c1cccs1)C2	ZINC000022127088	171354561	/nfs/dbraw/zinc/35/45/61/171354561.db2.gz	RUPAJRGSHWOHGN-MRVPVSSYSA-N	-1	0	276.313	3.260	40	0		CGABRM
CC(=O)Oc1c(Cl)c(C)c(Cl)c(C)c1C(=O)[O-]	ZINC000057339616	278222600	/nfs/dbraw/zinc/22/26/00/278222600.db2.gz	WQBPJEUOSIWRPV-UHFFFAOYSA-N	-1	0	277.103	3.234	40	0		CGABRM
C[Si](C)(C)c1c(Cl)cc(C(=O)[O-])cc1Cl	ZINC000195895098	300888576	/nfs/dbraw/zinc/88/85/76/300888576.db2.gz	IMVASYCXNLCZMR-UHFFFAOYSA-N	-1	0	263.196	3.237	40	0		CGABRM
Cc1ccc2c(c1)nc(C(=O)[O-])cc2C(F)(F)F	ZINC000038273090	301913047	/nfs/dbraw/zinc/91/30/47/301913047.db2.gz	SCXZJMXCPNBSMR-UHFFFAOYSA-N	-1	0	255.195	3.260	40	0		CGABRM
Cc1cccc2c(C(=O)[O-])cc(C(F)(F)F)nc12	ZINC000096171850	302053126	/nfs/dbraw/zinc/05/31/26/302053126.db2.gz	DRECKHMPSTXWPI-UHFFFAOYSA-N	-1	0	255.195	3.260	40	0		CGABRM
Nc1cc2nc(-c3cccc(Cl)c3)oc2c(C(=O)[O-])c1	ZINC000073641929	303494338	/nfs/dbraw/zinc/49/43/38/303494338.db2.gz	VLXYUHBKVGCOJL-UHFFFAOYSA-N	-1	0	288.690	3.429	40	0		CGABRM
CC(C)Sc1nc2ccccc2n1[C@@H](C)C(=O)[O-]	ZINC000007463467	528336347	/nfs/dbraw/zinc/33/63/47/528336347.db2.gz	JJAWLHSZOOXLIR-VIFPVBQESA-N	-1	0	264.350	3.182	40	0		CGABRM
C[C@H]1CC[C@@](C)([C@@H](NC(=O)OC(C)(C)C)C(=O)[O-])C1(C)C	ZINC000217715509	189711585	/nfs/dbraw/zinc/71/15/85/189711585.db2.gz	RLBFEEYIVDMPQR-MMPTUQATSA-N	-1	0	299.411	3.427	40	0		CGABRM
Cc1ccccc1O[C@H](Cc1ccccc1F)C(=O)[O-]	ZINC000225050337	189743803	/nfs/dbraw/zinc/74/38/03/189743803.db2.gz	SZHVRCJRAIIDQO-OAHLLOKOSA-N	-1	0	274.291	3.209	40	0		CGABRM
CC[C@H](C(=O)[O-])[C@H](C)CC(=O)Nc1ccccc1Cl	ZINC000000267183	368328102	/nfs/dbraw/zinc/32/81/02/368328102.db2.gz	JWHKFEZKCQDMDJ-ZJUUUORDSA-N	-1	0	283.755	3.416	40	0		CGABRM
CC(=O)c1ccc(Cc2ccc(C(=O)[O-])cc2)cc1	ZINC000001556263	368417991	/nfs/dbraw/zinc/41/79/91/368417991.db2.gz	DFFCDGRDTRULTK-UHFFFAOYSA-N	-1	0	254.285	3.178	40	0		CGABRM
C[C@@H](Oc1ccc(Cc2ccccc2)cc1)C(=O)[O-]	ZINC000013609131	368658403	/nfs/dbraw/zinc/65/84/03/368658403.db2.gz	ZWGYWHZAZUFCJP-GFCCVEGCSA-N	-1	0	256.301	3.129	40	0		CGABRM
C[C@@H](CC(=O)[O-])CC(=O)c1cc(F)cc(Cl)c1	ZINC000015441780	368694778	/nfs/dbraw/zinc/69/47/78/368694778.db2.gz	SBEIXPYIFIYKIH-SSDOTTSWSA-N	-1	0	258.676	3.163	40	0		CGABRM
Cc1ccccc1OCC(=O)Nc1cccc(C(=O)[O-])c1C	ZINC000018042099	368737849	/nfs/dbraw/zinc/73/78/49/368737849.db2.gz	JBIYMJVJPLHCMW-UHFFFAOYSA-N	-1	0	299.326	3.019	40	0		CGABRM
CCc1ccccc1Nc1ccc(N)cc1C(=O)[O-]	ZINC000037930584	369126354	/nfs/dbraw/zinc/12/63/54/369126354.db2.gz	KNSRNWAIQAFSIU-UHFFFAOYSA-N	-1	0	256.305	3.273	40	0		CGABRM
CCN(CC)c1nc(-c2ccccc2)c(CC(=O)[O-])s1	ZINC000095097086	370176472	/nfs/dbraw/zinc/17/64/72/370176472.db2.gz	KZSFTQSSQGYMKL-UHFFFAOYSA-N	-1	0	290.388	3.283	40	0		CGABRM
C[C@H](Nc1ncnc2scc(-c3ccccc3)c21)C(=O)[O-]	ZINC000006175322	299431748	/nfs/dbraw/zinc/43/17/48/299431748.db2.gz	JILRVONTUYODMN-VIFPVBQESA-N	-1	0	299.355	3.243	40	0		CGABRM
Cc1cc(NCc2ccccc2C(=O)[O-])nn1CC(C)C	ZINC000256054150	190004758	/nfs/dbraw/zinc/00/47/58/190004758.db2.gz	VCKUXRXBGKYLMI-UHFFFAOYSA-N	-1	0	287.363	3.158	40	0		CGABRM
C[Si](C)(C)c1ccc(Cl)c(C(=O)[O-])c1Cl	ZINC000196206382	376119585	/nfs/dbraw/zinc/11/95/85/376119585.db2.gz	ARQQXPZFBFAALU-UHFFFAOYSA-N	-1	0	263.196	3.237	40	0		CGABRM
CCCN(c1ccc(C)c(Cl)c1)[C@@H](C)C(=O)[O-]	ZINC000224993241	376291834	/nfs/dbraw/zinc/29/18/34/376291834.db2.gz	BJZOCZUBDZOXKX-JTQLQIEISA-N	-1	0	255.745	3.338	40	0		CGABRM
Cc1cccc(C[C@H](Oc2ccccc2)C(=O)[O-])c1C	ZINC000225021878	376293246	/nfs/dbraw/zinc/29/32/46/376293246.db2.gz	ROCCHFICKGZSKY-INIZCTEOSA-N	-1	0	270.328	3.378	40	0		CGABRM
O=C([O-])c1c(F)ccc2ccc(C(F)(F)F)nc21	ZINC000034555132	304217571	/nfs/dbraw/zinc/21/75/71/304217571.db2.gz	YZXCDRVRMAXPHB-UHFFFAOYSA-N	-1	0	259.158	3.091	40	0		CGABRM
O=C([O-])c1cnc2ccc(Cl)cc2c1Br	ZINC000085386611	304279115	/nfs/dbraw/zinc/27/91/15/304279115.db2.gz	TYBYZFYVFWQJKO-UHFFFAOYSA-N	-1	0	286.512	3.349	40	0		CGABRM
O=C(Nc1ccccc1[S-])NC1CCCCC1	ZINC000016450354	391934919	/nfs/dbraw/zinc/93/49/19/391934919.db2.gz	JIRMFYVHYVROFC-UHFFFAOYSA-N	-1	0	250.367	3.430	40	0		CGABRM
O=C([O-])/C=C/NC(=O)Nc1ccc(Oc2ccccc2)cc1	ZINC000222697708	130791243	/nfs/dbraw/zinc/79/12/43/130791243.db2.gz	ZRTGOYHMPFXUOI-ZHACJKMWSA-N	-1	0	298.298	3.199	40	0		CGABRM
CO[C@H](c1ccc(SCC(=O)[O-])cc1)C(C)C	ZINC000072220267	392202038	/nfs/dbraw/zinc/20/20/38/392202038.db2.gz	TZBNLEICFCEMKJ-ZDUSSCGKSA-N	-1	0	254.351	3.207	40	0		CGABRM
O=c1c(Br)n[n-]c2cc(Cl)c(Cl)cc12	ZINC000078326929	392218787	/nfs/dbraw/zinc/21/87/87/392218787.db2.gz	YTYIHYGUGGYMLA-UHFFFAOYSA-N	-1	0	293.935	3.405	40	0		CGABRM
O=C([O-])c1scc(Cl)c1OCC(F)(F)F	ZINC000096510959	392257529	/nfs/dbraw/zinc/25/75/29/392257529.db2.gz	FEWFOIHTSAKLKR-UHFFFAOYSA-N	-1	0	260.620	3.041	40	0		CGABRM
CC1(C)[C@H]2CC[C@H](C2)[C@@H]1OC(=O)c1ccccc1C(=O)[O-]	ZINC000005757361	170137495	/nfs/dbraw/zinc/13/74/95/170137495.db2.gz	AHNVXJGOOCFWKZ-SUNKGSAMSA-N	-1	0	288.343	3.366	40	0		CGABRM
O=S(=O)([O-])[C@@H](Nc1cccc(Cl)c1)c1ccccc1	ZINC000006582120	170215756	/nfs/dbraw/zinc/21/57/56/170215756.db2.gz	KXPLNSQXRZFXNV-CYBMUJFWSA-N	-1	0	297.763	3.339	40	0		CGABRM
CCCc1nc(C)cc(Nc2ccccc2C(=O)[O-])n1	ZINC000008702961	170347595	/nfs/dbraw/zinc/34/75/95/170347595.db2.gz	WRSHKWKXOLSEKD-UHFFFAOYSA-N	-1	0	271.320	3.179	40	0		CGABRM
Cc1c(NC(=O)c2ccc(F)cc2)cccc1C(=O)[O-]	ZINC000020138168	171025548	/nfs/dbraw/zinc/02/55/48/171025548.db2.gz	OTEWVYWTJBMHKR-UHFFFAOYSA-N	-1	0	273.263	3.085	40	0		CGABRM
COc1ccc(C(=O)[O-])cc1NC(=O)c1cc(C)cc(C)c1	ZINC000020138797	171026339	/nfs/dbraw/zinc/02/63/39/171026339.db2.gz	GAZHVTDGJXVCKE-UHFFFAOYSA-N	-1	0	299.326	3.263	40	0		CGABRM
O=C([O-])c1cccc(OCc2nc3ccccc3o2)c1	ZINC000037207727	173029534	/nfs/dbraw/zinc/02/95/34/173029534.db2.gz	ZSUDKKPAXDYHOL-UHFFFAOYSA-N	-1	0	269.256	3.105	40	0		CGABRM
O=C([O-])c1cc(NC(=O)[C@H]2CC=CCC2)ccc1Cl	ZINC000037403807	173180128	/nfs/dbraw/zinc/18/01/28/173180128.db2.gz	DRRYOVJRBVVGDI-VIFPVBQESA-N	-1	0	279.723	3.333	40	0		CGABRM
Cc1cccc([C@H](NC(=O)OCc2ccccc2)C(=O)[O-])c1	ZINC000039957078	174179219	/nfs/dbraw/zinc/17/92/19/174179219.db2.gz	HYEBBHWCDAGFFM-HNNXBMFYSA-N	-1	0	299.326	3.047	40	0		CGABRM
CC(C)(C)OC(=O)Nc1c2cc(F)ccc2[nH]c1C(=O)[O-]	ZINC000044909777	175275295	/nfs/dbraw/zinc/27/52/95/175275295.db2.gz	BXCMQPDMQSJDTD-UHFFFAOYSA-N	-1	0	294.282	3.352	40	0		CGABRM
CC(C)N1CCC[C@H]1c1nccnc1[N-]c1nccs1	ZINC000072386490	176391711	/nfs/dbraw/zinc/39/17/11/176391711.db2.gz	FHXCQUYDAJCWJS-NSHDSACASA-N	-1	0	289.408	3.222	40	0		CGABRM
CCc1cc(C)n(Cc2cccc(C)c2)c1C(=O)[O-]	ZINC000078405461	177338451	/nfs/dbraw/zinc/33/84/51/177338451.db2.gz	QOQJCAKRUOIYBZ-UHFFFAOYSA-N	-1	0	257.333	3.414	40	0		CGABRM
CC(C)(C)C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC000020136865	278294289	/nfs/dbraw/zinc/29/42/89/278294289.db2.gz	NUTWVIMCGCHZMO-UHFFFAOYSA-N	-1	0	255.701	3.023	40	0		CGABRM
O=C(c1ccccc1)c1ccc(Br)cc1[O-]	ZINC000001868550	304563926	/nfs/dbraw/zinc/56/39/26/304563926.db2.gz	CLQYOOMZXFSHAT-UHFFFAOYSA-N	-1	0	277.117	3.386	40	0		CGABRM
Cc1ccc(C(=O)n2cc(C(=O)[O-])c3ccccc32)cc1	ZINC000098137514	301535714	/nfs/dbraw/zinc/53/57/14/301535714.db2.gz	BIKTZGMNBBSSBR-UHFFFAOYSA-N	-1	0	279.295	3.336	40	0		CGABRM
Cc1ccc2c(Br)c(C(=O)[O-])cnc2c1C	ZINC000085386680	301873316	/nfs/dbraw/zinc/87/33/16/301873316.db2.gz	CVXNJFPXDIXNHR-UHFFFAOYSA-N	-1	0	280.121	3.312	40	0		CGABRM
Cc1[n-]n2c(nc3c(c2=O)CCCC3)c1-c1cccs1	ZINC000100163352	302808262	/nfs/dbraw/zinc/80/82/62/302808262.db2.gz	KGILZYHLBYDTEM-UHFFFAOYSA-N	-1	0	285.372	3.351	40	0		CGABRM
CCCN(c1cccc(C(F)(F)F)c1)[C@H](C)C(=O)[O-]	ZINC000260677413	328007041	/nfs/dbraw/zinc/00/70/41/328007041.db2.gz	CVCSUSYVKFXNFY-SECBINFHSA-N	-1	0	275.270	3.395	40	0		CGABRM
O=C([O-])c1ccc2ccccc2c1OC(F)(F)F	ZINC000095611619	185016547	/nfs/dbraw/zinc/01/65/47/185016547.db2.gz	NNWUHLDYNQAUDF-UHFFFAOYSA-N	-1	0	256.179	3.437	40	0		CGABRM
CCOc1cc(/C=N/c2ccccc2)ccc1OCC(=O)[O-]	ZINC000006960998	344865838	/nfs/dbraw/zinc/86/58/38/344865838.db2.gz	TVKPCTKNRDUSNR-WOJGMQOQSA-N	-1	0	299.326	3.299	40	0		CGABRM
O=c1cc([O-])c2cc(Cl)c(Cl)c(Cl)c2[nH]1	ZINC000039081015	344957374	/nfs/dbraw/zinc/95/73/74/344957374.db2.gz	AGHBIYORSHMOFY-UHFFFAOYSA-N	-1	0	264.495	3.194	40	0		CGABRM
CC(=O)c1cc(C(=O)[O-])ccc1OCc1ccccc1	ZINC000085390043	179047543	/nfs/dbraw/zinc/04/75/43/179047543.db2.gz	ZNQDWBWUMVXHEK-UHFFFAOYSA-N	-1	0	270.284	3.166	40	0		CGABRM
O=C([O-])[C@@H](c1c[nH]c2c1cccc2F)C(F)(F)F	ZINC000098213617	185701031	/nfs/dbraw/zinc/70/10/31/185701031.db2.gz	VMPBLMCUUWLLQT-MRVPVSSYSA-N	-1	0	261.174	3.038	40	0		CGABRM
O=C([O-])C1(Br)c2ccccc2-c2ccccc21	ZINC000001674719	304027230	/nfs/dbraw/zinc/02/72/30/304027230.db2.gz	JZPBSNVWESHCHU-UHFFFAOYSA-N	-1	0	289.128	3.390	40	0		CGABRM
O=C([O-])CC1(c2ccc(C(F)(F)F)cc2)CCOCC1	ZINC000098213988	304044088	/nfs/dbraw/zinc/04/40/88/304044088.db2.gz	ZGAFRTJCSYEMAZ-UHFFFAOYSA-N	-1	0	288.265	3.228	40	0		CGABRM
COc1ccccc1O[C@H](Cc1cccc(C)c1)C(=O)[O-]	ZINC000225018194	189743622	/nfs/dbraw/zinc/74/36/22/189743622.db2.gz	BFRSVHSSPSTLLD-MRXNPFEDSA-N	-1	0	286.327	3.078	40	0		CGABRM
CC1(C)[C@H]([C@H](O)Cc2ccccc2)CC[C@@]1(C)C(=O)[O-]	ZINC000003846038	368520656	/nfs/dbraw/zinc/52/06/56/368520656.db2.gz	GHNNJPAHRGNFBK-VBQJREDUSA-N	-1	0	276.376	3.117	40	0		CGABRM
CCCC(O)(CCC)[C@@]1(C)CC[C@@H](C(=O)[O-])C(C)(C)O1	ZINC000003845866	368521195	/nfs/dbraw/zinc/52/11/95/368521195.db2.gz	LMBCHCOQJPCSGJ-SWLSCSKDSA-N	-1	0	286.412	3.366	40	0		CGABRM
CC(C)(C)OC(=O)N[C@H](CC(=O)[O-])CC1CCCCC1	ZINC000015442046	368694764	/nfs/dbraw/zinc/69/47/64/368694764.db2.gz	FIBAFRJLUXGPPW-LBPRGKRZSA-N	-1	0	285.384	3.325	40	0		CGABRM
CC(=O)C(Cc1ccccc1)=C([O-])c1ccccc1	ZINC000031623482	368915964	/nfs/dbraw/zinc/91/59/64/368915964.db2.gz	WGQHQOTVVBJZRY-INIZCTEOSA-N	-1	0	252.313	3.317	40	0		CGABRM
COc1cccc(COCCc2ccccc2)c1C(=O)[O-]	ZINC000035973618	369005611	/nfs/dbraw/zinc/00/56/11/369005611.db2.gz	FUIDTBIFCWGOBA-UHFFFAOYSA-N	-1	0	286.327	3.153	40	0		CGABRM
O=S(=O)([N-]c1cnc2ccccc2c1)c1ccccc1	ZINC000064503888	369653228	/nfs/dbraw/zinc/65/32/28/369653228.db2.gz	NVPAJUXKLYDSOF-UHFFFAOYSA-N	-1	0	284.340	3.036	40	0		CGABRM
CCn1c(C(=O)[O-])cc2c1cccc2Br	ZINC000067800438	369730339	/nfs/dbraw/zinc/73/03/39/369730339.db2.gz	VFOQVSGRBOPVRY-UHFFFAOYSA-N	-1	0	268.110	3.122	40	0		CGABRM
CC(C)c1nc2cc(C(=O)[O-])cc(Br)c2[nH]1	ZINC000084682990	370014728	/nfs/dbraw/zinc/01/47/28/370014728.db2.gz	ICVGXPGPSJCHJD-UHFFFAOYSA-N	-1	0	283.125	3.147	40	0		CGABRM
CCc1ccc2ncc(C(=O)[O-])c(Br)c2c1	ZINC000085386445	370017778	/nfs/dbraw/zinc/01/77/78/370017778.db2.gz	MAAFXMWLDIANFZ-UHFFFAOYSA-N	-1	0	280.121	3.258	40	0		CGABRM
Cc1ccc(Nc2c(F)c(F)ccc2C(=O)[O-])cn1	ZINC000098175396	370267877	/nfs/dbraw/zinc/26/78/77/370267877.db2.gz	FTTOLPZRYWPQSF-UHFFFAOYSA-N	-1	0	264.231	3.110	40	0		CGABRM
O=c1cc(-c2ccc(F)cc2)[n-]n1-c1ccccc1	ZINC000100070105	370271592	/nfs/dbraw/zinc/27/15/92/370271592.db2.gz	WAARQVVWFJYFTD-UHFFFAOYSA-N	-1	0	254.264	3.384	40	0		CGABRM
CC(=O)C(CC(=O)c1ccccc1)=C([O-])c1ccccc1	ZINC000100356944	370277199	/nfs/dbraw/zinc/27/71/99/370277199.db2.gz	ZBNHMYDPJOWABG-MRXNPFEDSA-N	-1	0	280.323	3.348	40	0		CGABRM
Cn1c(C(=O)[O-])cc2c1c1ccccc1n2CC1CC1	ZINC000106789006	370352913	/nfs/dbraw/zinc/35/29/13/370352913.db2.gz	HLENDYRATMCSEU-UHFFFAOYSA-N	-1	0	268.316	3.241	40	0		CGABRM
O=C([O-])[C@@H]1[C@@H]2Cc3ccccc3[C@H]1c1ccccc12	ZINC000005049042	304159800	/nfs/dbraw/zinc/15/98/00/304159800.db2.gz	KMHNTVRZKXHOIB-OWCLPIDISA-N	-1	0	250.297	3.173	40	0		CGABRM
Cc1cc(NC(=O)Nc2ccccc2)cc(C(=O)[O-])c1O	ZINC000226321698	376351707	/nfs/dbraw/zinc/35/17/07/376351707.db2.gz	ZAXRZJGQMBITCH-UHFFFAOYSA-N	-1	0	286.287	3.043	40	0		CGABRM
CC(C)Cn1c(Cc2ccccc2)ccc1C(=O)[O-]	ZINC000226027521	376338840	/nfs/dbraw/zinc/33/88/40/376338840.db2.gz	RMSXFWMGKWHBLR-UHFFFAOYSA-N	-1	0	257.333	3.433	40	0		CGABRM
Cc1ccc(C[C@H](Oc2ccccc2C)C(=O)[O-])cc1	ZINC000225019552	376293566	/nfs/dbraw/zinc/29/35/66/376293566.db2.gz	DQVZOTVVVDAPKZ-INIZCTEOSA-N	-1	0	270.328	3.378	40	0		CGABRM
CCCCc1ccc(C[C@@H](OCCC)C(=O)[O-])cc1	ZINC000225129822	376294824	/nfs/dbraw/zinc/29/48/24/376294824.db2.gz	ZNTSERBWWVVQRM-OAHLLOKOSA-N	-1	0	264.365	3.452	40	0		CGABRM
O=S(=O)([N-]c1ccc(Cl)cc1)c1ccc(F)s1	ZINC000225387342	376305638	/nfs/dbraw/zinc/30/56/38/376305638.db2.gz	NTQFQUCXXFVTDD-UHFFFAOYSA-N	-1	0	291.756	3.341	40	0		CGABRM
O=C([O-])c1cccc2c1-c1ccc(Cl)cc1C2=O	ZINC000001713215	304265776	/nfs/dbraw/zinc/26/57/76/304265776.db2.gz	FNTAHHRAQDEHCD-UHFFFAOYSA-N	-1	0	258.660	3.250	40	0		CGABRM
O=C([O-])c1ccccc1S[C@H]1OC(=O)c2ccccc21	ZINC000002041698	304271383	/nfs/dbraw/zinc/27/13/83/304271383.db2.gz	LNRUZHRUESSXQS-OAHLLOKOSA-N	-1	0	286.308	3.346	40	0		CGABRM
CCCCC[C@@](C)(O)[C@@H](C(=O)[O-])c1ccccc1	ZINC000001646357	169732490	/nfs/dbraw/zinc/73/24/90/169732490.db2.gz	YCNLFXQTGMHGQE-UKRRQHHQSA-N	-1	0	250.338	3.186	40	0		CGABRM
CS[C@@H](CC(=O)[O-])c1nc2ccccc2s1	ZINC000072207248	392196085	/nfs/dbraw/zinc/19/60/85/392196085.db2.gz	VMLNMDQMUIDKGX-VIFPVBQESA-N	-1	0	253.348	3.175	40	0		CGABRM
O=C([O-])C[C@H](n1nc(C(F)F)cc1C1CC1)C(F)(F)F	ZINC000675031518	543309991	/nfs/dbraw/zinc/30/99/91/543309991.db2.gz	LRGWWEINPRJZRG-QMMMGPOBSA-N	-1	0	298.211	3.276	40	0		CGABRM
CC(C)C[C@H](Nc1c(O)ccc2ccccc21)C(=O)[O-]	ZINC000005421256	170097722	/nfs/dbraw/zinc/09/77/22/170097722.db2.gz	RBPGXFHOIUGOGZ-ZDUSSCGKSA-N	-1	0	273.332	3.457	40	0		CGABRM
Cc1ccc(NC(=O)COc2ccc(C(=O)[O-])cc2)c(C)c1	ZINC000006203557	170182694	/nfs/dbraw/zinc/18/26/94/170182694.db2.gz	YOLRONVHUCZWTQ-UHFFFAOYSA-N	-1	0	299.326	3.019	40	0		CGABRM
CCC[C@@H](Nc1ccccc1Br)C(=O)[O-]	ZINC000008702801	170347487	/nfs/dbraw/zinc/34/74/87/170347487.db2.gz	XPWXCRRIEAXZLW-SNVBAGLBSA-N	-1	0	272.142	3.114	40	0		CGABRM
CCCCCC(=O)Nc1ccccc1SCC(=O)[O-]	ZINC000008732878	170351637	/nfs/dbraw/zinc/35/16/37/170351637.db2.gz	LPNSOCLDUVXQPK-UHFFFAOYSA-N	-1	0	281.377	3.382	40	0		CGABRM
Cc1cccc(OCC(=O)Nc2ccc(C(=O)[O-])cc2C)c1	ZINC000013391182	170548009	/nfs/dbraw/zinc/54/80/09/170548009.db2.gz	IQWOSHQXKRKREV-UHFFFAOYSA-N	-1	0	299.326	3.019	40	0		CGABRM
CCCSc1nc2ccccc2n1[C@H](C)C(=O)[O-]	ZINC000013609093	170568893	/nfs/dbraw/zinc/56/88/93/170568893.db2.gz	ZTWLLVMWYDTBQM-SECBINFHSA-N	-1	0	264.350	3.184	40	0		CGABRM
CCOC(=O)Nc1ccc2sc(C(=O)[O-])cc2c1	ZINC000020136067	171023002	/nfs/dbraw/zinc/02/30/02/171023002.db2.gz	ADYNXGVFRGXBRX-UHFFFAOYSA-N	-1	0	265.290	3.168	40	0		CGABRM
CC(=O)c1cccc(Nc2nc(C)c(C(=O)[O-])s2)c1	ZINC000020156561	171039399	/nfs/dbraw/zinc/03/93/99/171039399.db2.gz	RLLNUNZEBQWXSJ-UHFFFAOYSA-N	-1	0	276.317	3.096	40	0		CGABRM
O=C([O-])c1ccc(C(F)F)c(Br)c1	ZINC000039951873	174176234	/nfs/dbraw/zinc/17/62/34/174176234.db2.gz	QUYNTKMTYJLIIG-UHFFFAOYSA-N	-1	0	251.026	3.085	40	0		CGABRM
CC(C)Nc1nc(-c2ccccc2)ccc1C(=O)[O-]	ZINC000049846011	175500921	/nfs/dbraw/zinc/50/09/21/175500921.db2.gz	OMIWGDXPVAAOIE-UHFFFAOYSA-N	-1	0	256.305	3.267	40	0		CGABRM
Nc1cc2nc(-c3ccccc3Cl)oc2c(C(=O)[O-])c1	ZINC000073641966	176481562	/nfs/dbraw/zinc/48/15/62/176481562.db2.gz	LSCXYFWJFTYURR-UHFFFAOYSA-N	-1	0	288.690	3.429	40	0		CGABRM
CCOc1ccc(Nc2ccc(N)cc2C(=O)[O-])cc1	ZINC000037930249	260121355	/nfs/dbraw/zinc/12/13/55/260121355.db2.gz	PHFYPFDKXOHHRE-UHFFFAOYSA-N	-1	0	272.304	3.109	40	0		CGABRM
COc1ccc2c(c1)N([C@H](C)C(=O)[O-])C(C)(C)C=C2C	ZINC000260619600	327960714	/nfs/dbraw/zinc/96/07/14/327960714.db2.gz	OPISBARIXNTPBA-LLVKDONJSA-N	-1	0	275.348	3.170	40	0		CGABRM
CN(CC(=O)[O-])c1ccccc1Sc1ccccc1	ZINC000205712239	567946415	/nfs/dbraw/zinc/94/64/15/567946415.db2.gz	AYGGTUPKPBYJDT-UHFFFAOYSA-N	-1	0	273.357	3.359	40	0		CGABRM
O=Cc1cc(-c2ccc(C(=O)[O-])c(Cl)c2)ccc1O	ZINC000096312804	345902509	/nfs/dbraw/zinc/90/25/09/345902509.db2.gz	UBUIIWVDIASBKB-UHFFFAOYSA-N	-1	0	276.675	3.223	40	0		CGABRM
Cc1ccccc1C1(C(=O)[O-])Cc2ccccc2C1	ZINC000230486962	346321569	/nfs/dbraw/zinc/32/15/69/346321569.db2.gz	JFMAMYHQFRLCOV-UHFFFAOYSA-N	-1	0	252.313	3.116	40	0		CGABRM
O=C([O-])[C@@H]1CCc2cccc3c2[C@H]1c1ccccc1-3	ZINC000085388753	304129263	/nfs/dbraw/zinc/12/92/63/304129263.db2.gz	RJIPQKDZDJRYGY-ZBFHGGJFSA-N	-1	0	250.297	3.446	40	0		CGABRM
COc1ccc(-c2cc(O)c3c(=O)cccc-3o2)cc1	ZINC000000057686	368279250	/nfs/dbraw/zinc/27/92/50/368279250.db2.gz	WAGFUKCEIMCKQR-UHFFFAOYSA-N	-1	0	268.268	3.174	40	0		CGABRM
c1csc([N-]c2nc3cc4c(cc3s2)OCO4)n1	ZINC000004137828	368532276	/nfs/dbraw/zinc/53/22/76/368532276.db2.gz	KAVMPWPMUYVUGY-UHFFFAOYSA-N	-1	0	277.330	3.225	40	0		CGABRM
Cc1cccc(NC(=O)COc2cc(C)ccc2C(=O)[O-])c1	ZINC000013084367	368642324	/nfs/dbraw/zinc/64/23/24/368642324.db2.gz	ZVBXSPUVPVUOPD-UHFFFAOYSA-N	-1	0	299.326	3.019	40	0		CGABRM
CCOc1cccc(CNc2cccc(C(=O)[O-])c2)c1	ZINC000032118491	368926394	/nfs/dbraw/zinc/92/63/94/368926394.db2.gz	QAELXBUERTYIII-UHFFFAOYSA-N	-1	0	271.316	3.396	40	0		CGABRM
CCc1ccc(Nc2ccc(C(=O)[O-])cc2N)cc1	ZINC000037930579	369126320	/nfs/dbraw/zinc/12/63/20/369126320.db2.gz	UKJNWAHHCGMXII-UHFFFAOYSA-N	-1	0	256.305	3.273	40	0		CGABRM
Cc1nn(-c2ccc(F)c(Cl)c2)c(C)c1CCC(=O)[O-]	ZINC000041486828	369188325	/nfs/dbraw/zinc/18/83/25/369188325.db2.gz	NZKSTEXOZITOAU-UHFFFAOYSA-N	-1	0	296.729	3.299	40	0		CGABRM
Cc1cc(SCC(=O)[O-])nc(-c2ccc(C)c(C)c2)n1	ZINC000049468866	369402933	/nfs/dbraw/zinc/40/29/33/369402933.db2.gz	CQEJQCQPLGPHAT-UHFFFAOYSA-N	-1	0	288.372	3.246	40	0		CGABRM
O=C([O-])c1ccc(-c2ccc(F)cc2)nc1N1CCCC1	ZINC000049884197	369421576	/nfs/dbraw/zinc/42/15/76/369421576.db2.gz	SPKOUNRMHLVAPG-UHFFFAOYSA-N	-1	0	286.306	3.186	40	0		CGABRM
COc1ccc(C(=O)Oc2ccc(/C=C/C(=O)[O-])cc2)cc1	ZINC000140099707	371508498	/nfs/dbraw/zinc/50/84/98/371508498.db2.gz	VATNLRCHIHDTCJ-NYYWCZLTSA-N	-1	0	298.294	3.012	40	0		CGABRM
O=C([O-])c1cc(Br)cn1CCc1ccccc1	ZINC000169099810	372625761	/nfs/dbraw/zinc/62/57/61/372625761.db2.gz	OTEMDGWPVGVWQH-UHFFFAOYSA-N	-1	0	294.148	3.192	40	0		CGABRM
CCN(CCCC(=O)[O-])c1ccc(Br)cc1	ZINC000224990014	376290493	/nfs/dbraw/zinc/29/04/93/376290493.db2.gz	BCRICEBFZIIOFR-UHFFFAOYSA-N	-1	0	286.169	3.140	40	0		CGABRM
CC(C)O[C@H](Cc1cccc2ccccc21)C(=O)[O-]	ZINC000225049883	376292989	/nfs/dbraw/zinc/29/29/89/376292989.db2.gz	UTHKPMAYJPRAOJ-OAHLLOKOSA-N	-1	0	258.317	3.261	40	0		CGABRM
COc1ccccc1C[C@H](Oc1ccc(C)cc1)C(=O)[O-]	ZINC000225096221	376294980	/nfs/dbraw/zinc/29/49/80/376294980.db2.gz	MSKKHRBAPJKKAH-INIZCTEOSA-N	-1	0	286.327	3.078	40	0		CGABRM
COc1ccc(Cl)cc1C[C@H](OCC(C)C)C(=O)[O-]	ZINC000225122100	376295412	/nfs/dbraw/zinc/29/54/12/376295412.db2.gz	BLBOAVMLHNBEAW-ZDUSSCGKSA-N	-1	0	286.755	3.017	40	0		CGABRM
Cc1ccc(Cl)cc1C[C@H](OCC(C)C)C(=O)[O-]	ZINC000225078925	376295608	/nfs/dbraw/zinc/29/56/08/376295608.db2.gz	UUEOSRGTNARRFU-ZDUSSCGKSA-N	-1	0	270.756	3.317	40	0		CGABRM
O=c1cc([O-])c2cccc(OCc3ccccc3)c2o1	ZINC000065742831	184569434	/nfs/dbraw/zinc/56/94/34/184569434.db2.gz	CSMRRRMWQAEPGF-UHFFFAOYSA-N	-1	0	268.268	3.078	40	0	in-vitro	CGABRM
O=C([O-])c1ccc2nc(-c3cccnc3)sc2c1	ZINC000031894253	304254681	/nfs/dbraw/zinc/25/46/81/304254681.db2.gz	UHIBQWZQOJOJRY-UHFFFAOYSA-N	-1	0	256.286	3.057	40	0		CGABRM
O=C([O-])COc1ccc(Cl)cc1Cc1ccccc1	ZINC000001600216	169722713	/nfs/dbraw/zinc/72/27/13/169722713.db2.gz	BUZGTPXEOMENFN-UHFFFAOYSA-N	-1	0	276.719	3.394	40	0		CGABRM
O=C([O-])c1nc(-c2ccccc2Br)cs1	ZINC000084193632	304283061	/nfs/dbraw/zinc/28/30/61/304283061.db2.gz	KOGNQBGZGIGTNT-UHFFFAOYSA-N	-1	0	284.134	3.271	40	0		CGABRM
O=C([O-])C1(c2cc(-c3ccccc3)on2)CCCC1	ZINC000072220613	392201318	/nfs/dbraw/zinc/20/13/18/392201318.db2.gz	ABOTUIUIPHGMPG-UHFFFAOYSA-N	-1	0	257.289	3.238	40	0		CGABRM
O=C([O-])[C@@H](c1ccccc1)C1(O)CCCCCCC1	ZINC000002042235	169771237	/nfs/dbraw/zinc/77/12/37/169771237.db2.gz	DLAJFOAZEIHIHR-CQSZACIVSA-N	-1	0	262.349	3.330	40	0		CGABRM
O=C([O-])CC[C@@]12CCC[C@H]3CCC(=O)N(c4ccccc41)[C@@H]32	ZINC000004831158	170025563	/nfs/dbraw/zinc/02/55/63/170025563.db2.gz	RUCYNUSBBGZCDR-IGNZVWTISA-N	-1	0	299.370	3.098	40	0		CGABRM
Cc1nc(NCc2ccc(C)cc2)sc1C(=O)[O-]	ZINC000008018664	170313997	/nfs/dbraw/zinc/31/39/97/170313997.db2.gz	NEQMICPXMICYEO-UHFFFAOYSA-N	-1	0	262.334	3.070	40	0		CGABRM
CCCCC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC000020136559	171023769	/nfs/dbraw/zinc/02/37/69/171023769.db2.gz	GCSRWGFOQXOJBI-UHFFFAOYSA-N	-1	0	255.701	3.167	40	0		CGABRM
Cc1cc(C(=O)[O-])ccc1NC(=O)Nc1ccccc1	ZINC000021964572	171343694	/nfs/dbraw/zinc/34/36/94/171343694.db2.gz	UGVOFPCWAYRBOW-UHFFFAOYSA-N	-1	0	270.288	3.337	40	0		CGABRM
Cc1ccccc1[C@@H](NC(=O)OCc1ccccc1)C(=O)[O-]	ZINC000039957081	174179105	/nfs/dbraw/zinc/17/91/05/174179105.db2.gz	UWYCDYAVRFJIAP-OAHLLOKOSA-N	-1	0	299.326	3.047	40	0		CGABRM
CCc1cc(C)n(Cc2ccc(C)cc2)c1C(=O)[O-]	ZINC000078405463	177338427	/nfs/dbraw/zinc/33/84/27/177338427.db2.gz	IJMTVIKVNMZJGP-UHFFFAOYSA-N	-1	0	257.333	3.414	40	0		CGABRM
CCOc1nc2cc(Br)ccc2cc1C(=O)[O-]	ZINC000685937130	544109224	/nfs/dbraw/zinc/10/92/24/544109224.db2.gz	LIBPBUQDXKHCJE-UHFFFAOYSA-N	-1	0	296.120	3.094	40	0		CGABRM
O=C([O-])c1cc2cccc(Cl)c2nc1OCC1CC1	ZINC000685937164	544109533	/nfs/dbraw/zinc/10/95/33/544109533.db2.gz	MCFQTXUCFSWIAG-UHFFFAOYSA-N	-1	0	277.707	3.375	40	0		CGABRM
CC(C)n1c2ccccc2nc1S[C@@H](C)C(=O)[O-]	ZINC000008701346	280760931	/nfs/dbraw/zinc/76/09/31/280760931.db2.gz	NHMUHBOHWYEJHJ-VIFPVBQESA-N	-1	0	264.350	3.182	40	0		CGABRM
Cc1cc(C(=O)[O-])cc(Br)c1Br	ZINC000132083614	301151963	/nfs/dbraw/zinc/15/19/63/301151963.db2.gz	XYRJUIVLTQLJAW-UHFFFAOYSA-N	-1	0	293.942	3.218	40	0		CGABRM
Cc1cccc2c(Br)c(C(=O)[O-])cnc12	ZINC000085386673	302052332	/nfs/dbraw/zinc/05/23/32/302052332.db2.gz	FUDBTBXFIUXONH-UHFFFAOYSA-N	-1	0	266.094	3.004	40	0		CGABRM
Cc1[n-]n2c(nc3c(c2=O)CCC3)c1-c1ccc(C)cc1	ZINC000012115632	302808226	/nfs/dbraw/zinc/80/82/26/302808226.db2.gz	SXCUEGMEXYMHAL-UHFFFAOYSA-N	-1	0	279.343	3.207	40	0		CGABRM
O=C([O-])c1cccc(NC2CCC(C(F)F)CC2)n1	ZINC000263376982	620313972	/nfs/dbraw/zinc/31/39/72/620313972.db2.gz	BPGNXDZMMINJLN-UHFFFAOYSA-N	-1	0	270.279	3.016	40	0		CGABRM
CC(/C=C/C(=O)[O-])=C\C[C@H](O)/C(C)=C/CC[C@@H](C)[C@H](C)O	ZINC000031166612	623666267	/nfs/dbraw/zinc/66/62/67/623666267.db2.gz	RCKDDMWGRIYLCN-ZSUKVGBTSA-N	-1	0	296.407	3.068	40	0	biogenic,in-vitro	CGABRM
O=C([O-])[C@H]1C[C@@H]1c1ccc(OCCC(F)(F)F)cc1	ZINC000408715704	230408421	/nfs/dbraw/zinc/40/84/21/230408421.db2.gz	CPUQLHGMSLVZCJ-MNOVXSKESA-N	-1	0	274.238	3.206	40	0		CGABRM
CCOC(=O)c1c[n-]c2cc(Cl)c(OC)cc2c1=S	ZINC000064874639	345265869	/nfs/dbraw/zinc/26/58/69/345265869.db2.gz	FENYPPNUJCTKNZ-UHFFFAOYSA-N	-1	0	297.763	3.362	40	0		CGABRM
CN(C(=O)OCc1ccccc1)[C@@H](C(=O)[O-])c1ccccc1	ZINC000136232201	346089898	/nfs/dbraw/zinc/08/98/98/346089898.db2.gz	GKGCEDIFEKJBFY-OAHLLOKOSA-N	-1	0	299.326	3.081	40	0		CGABRM
O=C([O-])C1(c2cccc(C(F)(F)F)c2)CCC(=O)CC1	ZINC000090651099	304034900	/nfs/dbraw/zinc/03/49/00/304034900.db2.gz	UPDOBMFRXJMTIG-UHFFFAOYSA-N	-1	0	286.249	3.171	40	0		CGABRM
O=C([O-])C1=Nc2nc3ccccc3n2[C@@H]([C@H]2CC=CCC2)C1	ZINC000102243710	304035860	/nfs/dbraw/zinc/03/58/60/304035860.db2.gz	MTYKKSCGUDUORH-XHDPSFHLSA-N	-1	0	295.342	3.328	40	0		CGABRM
Cc1c(Cl)cccc1C[C@@H](OC(C)C)C(=O)[O-]	ZINC000225072584	189744072	/nfs/dbraw/zinc/74/40/72/189744072.db2.gz	IJYSGUWMZWSZOB-GFCCVEGCSA-N	-1	0	256.729	3.069	40	0		CGABRM
Cc1ccc(C(=O)[O-])cc1-c1cc2ccccc2oc1=O	ZINC000000489480	368378928	/nfs/dbraw/zinc/37/89/28/368378928.db2.gz	OUHNSUBWYSEPTJ-UHFFFAOYSA-N	-1	0	280.279	3.467	40	0		CGABRM
O=C([O-])c1ccccc1C(=O)c1cccc(Cl)c1	ZINC000002566268	368464797	/nfs/dbraw/zinc/46/47/97/368464797.db2.gz	FSMXJLAATHSRCB-UHFFFAOYSA-N	-1	0	260.676	3.269	40	0		CGABRM
COc1ccc(Nc2ncccc2C(=O)[O-])cc1Cl	ZINC000019844765	368773062	/nfs/dbraw/zinc/77/30/62/368773062.db2.gz	BZSLEGVBNIRGRN-UHFFFAOYSA-N	-1	0	278.695	3.185	40	0		CGABRM
COc1ccc(/C(=C\c2cccc(C)n2)C(=O)[O-])cc1	ZINC000031638506	368916438	/nfs/dbraw/zinc/91/64/38/368916438.db2.gz	DXKRVBFWTXQSNQ-XNTDXEJSSA-N	-1	0	269.300	3.024	40	0		CGABRM
COc1ccc(Nc2ccc(N)cc2C(=O)[O-])cc1Cl	ZINC000037930276	369126408	/nfs/dbraw/zinc/12/64/08/369126408.db2.gz	WQDBUELVCTYMLO-UHFFFAOYSA-N	-1	0	292.722	3.373	40	0		CGABRM
O=C([O-])c1cc(C2CC2)nn1Cc1ccccc1Cl	ZINC000045930403	369287305	/nfs/dbraw/zinc/28/73/05/369287305.db2.gz	XINXULFIWDSZTD-UHFFFAOYSA-N	-1	0	276.723	3.160	40	0		CGABRM
O=C([O-])[C@@H]1C[C@]2(Cl)C[C@@]1(Cl)C(Cl)=C2Cl	ZINC000001768970	304150711	/nfs/dbraw/zinc/15/07/11/304150711.db2.gz	OCDGWCQVAOKDOQ-SHZSPPTNSA-N	-1	0	275.946	3.139	40	0		CGABRM
CCn1c2ccccc2s/c1=N/C(=O)c1ccccc1[O-]	ZINC000104189145	370340241	/nfs/dbraw/zinc/34/02/41/370340241.db2.gz	VLQWLSJANMNBNH-WUKNDPDISA-N	-1	0	298.367	3.169	40	0		CGABRM
CC[C@H](C(=O)[O-])N(CC)c1ccc(Cl)cc1C	ZINC000224992036	376289831	/nfs/dbraw/zinc/28/98/31/376289831.db2.gz	PELXBWZEYLBWLZ-LLVKDONJSA-N	-1	0	255.745	3.338	40	0		CGABRM
CCCN(CCCC(=O)[O-])c1cc(C)ccc1OC	ZINC000225001723	376292191	/nfs/dbraw/zinc/29/21/91/376292191.db2.gz	ZQGCKXVLSHSIRS-UHFFFAOYSA-N	-1	0	265.353	3.085	40	0		CGABRM
CCN(CC(=O)[O-])c1ccccc1Oc1ccccc1	ZINC000225006441	376292332	/nfs/dbraw/zinc/29/23/32/376292332.db2.gz	IRUIXKBTIYOXAQ-UHFFFAOYSA-N	-1	0	271.316	3.390	40	0		CGABRM
Cc1c(Cl)cccc1C[C@@H](OCC(C)C)C(=O)[O-]	ZINC000225072763	376293819	/nfs/dbraw/zinc/29/38/19/376293819.db2.gz	RDUKIKWENRNLGF-CYBMUJFWSA-N	-1	0	270.756	3.317	40	0		CGABRM
COc1ccccc1C[C@H](Oc1cccc(C)c1)C(=O)[O-]	ZINC000225096119	376295498	/nfs/dbraw/zinc/29/54/98/376295498.db2.gz	NWXIUFCZSFONIO-INIZCTEOSA-N	-1	0	286.327	3.078	40	0		CGABRM
CC1(C)[C@H]([C@@H](O)Cc2ccccc2)CC[C@]1(C)C(=O)[O-]	ZINC000245239191	376802871	/nfs/dbraw/zinc/80/28/71/376802871.db2.gz	GHNNJPAHRGNFBK-GRDNDAEWSA-N	-1	0	276.376	3.117	40	0		CGABRM
O=C([O-])[C@H]1CCC(F)(F)C[C@H]1OCc1ccccc1	ZINC000575440807	377912484	/nfs/dbraw/zinc/91/24/84/377912484.db2.gz	HOVQTAVMLVGBLU-NWDGAFQWSA-N	-1	0	270.275	3.092	40	0		CGABRM
O=C([O-])c1cc(Br)c2cccc3c2c1CC3	ZINC000001723050	304220841	/nfs/dbraw/zinc/22/08/41/304220841.db2.gz	VNPOEZVDWAEWHH-UHFFFAOYSA-N	-1	0	277.117	3.399	40	0		CGABRM
O=C([O-])c1cccc(COc2ccc(/C=C/[N+](=O)[O-])cc2)c1	ZINC000408786712	380023274	/nfs/dbraw/zinc/02/32/74/380023274.db2.gz	UZHFBUDFZNHPPP-CMDGGOBGSA-N	-1	0	299.282	3.211	40	0		CGABRM
O=C([O-])c1ccc(N2CCC[C@@H]2c2ccccc2)nc1	ZINC000006732263	304246846	/nfs/dbraw/zinc/24/68/46/304246846.db2.gz	KEFHBWLOLUMEGS-CQSZACIVSA-N	-1	0	268.316	3.121	40	0		CGABRM
O=C([O-])c1ccc2ccccc2c1I	ZINC000071256811	304254235	/nfs/dbraw/zinc/25/42/35/304254235.db2.gz	CVCXKFYYXBHGNV-UHFFFAOYSA-N	-1	0	298.079	3.143	40	0		CGABRM
Cc1cc(SCC(=O)[O-])c2cc(F)cc(C)c2n1	ZINC000064874760	392143726	/nfs/dbraw/zinc/14/37/26/392143726.db2.gz	FVULPMKETRECAI-UHFFFAOYSA-N	-1	0	265.309	3.167	40	0		CGABRM
CC(C)[C@@H]1CC[C@H](C)C[C@@H]1OC(=O)N=C([O-])C(F)(F)F	ZINC000011990669	397604148	/nfs/dbraw/zinc/60/41/48/397604148.db2.gz	YBGMLLFVNLUNHN-GUBZILKMSA-N	-1	0	295.301	3.262	40	0		CGABRM
CCC(=O)Nc1cc(C(=O)[O-])c(Cl)cc1Cl	ZINC000020136450	171023663	/nfs/dbraw/zinc/02/36/63/171023663.db2.gz	ZVYQZOSAPVHPPU-UHFFFAOYSA-N	-1	0	262.092	3.040	40	0		CGABRM
Cc1cc(NC(=O)/C=C/c2ccccc2)cc(C(=O)[O-])c1O	ZINC000020145032	171030305	/nfs/dbraw/zinc/03/03/05/171030305.db2.gz	DZGIDCQUQMGUEL-BQYQJAHWSA-N	-1	0	297.310	3.051	40	0		CGABRM
Cc1ccc2c(c1)ncc(OCC1CC1)c2C(=O)[O-]	ZINC000685936953	544109407	/nfs/dbraw/zinc/10/94/07/544109407.db2.gz	GHOYYANMAVWFLU-UHFFFAOYSA-N	-1	0	257.289	3.030	40	0		CGABRM
Cc1cc(N2CCCc3ccccc32)ncc1C(=O)[O-]	ZINC000072223911	301338531	/nfs/dbraw/zinc/33/85/31/301338531.db2.gz	WKEDDWKKEIRDGJ-UHFFFAOYSA-N	-1	0	268.316	3.173	40	0		CGABRM
Cc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)/C=C/C(=O)[O-]	ZINC000408736007	301877795	/nfs/dbraw/zinc/87/77/95/301877795.db2.gz	ZPWVOMKHQFPNCL-BQYQJAHWSA-N	-1	0	285.343	3.164	40	0		CGABRM
CCCO[C@@H](Cc1cccc(Cl)c1Cl)C(=O)[O-]	ZINC000225084241	500666693	/nfs/dbraw/zinc/66/66/93/500666693.db2.gz	MOHVDAOMANRFQE-JTQLQIEISA-N	-1	0	277.147	3.416	40	0		CGABRM
O=C([O-])[C@H](Cc1cccc(Cl)c1)Oc1ccccc1	ZINC000225057951	501070725	/nfs/dbraw/zinc/07/07/25/501070725.db2.gz	ISHSLZGYVNFEGN-AWEZNQCLSA-N	-1	0	276.719	3.415	40	0		CGABRM
Cc1cccc(C(=O)n2cc(C(=O)[O-])c3ccccc32)c1	ZINC000098137513	534628631	/nfs/dbraw/zinc/62/86/31/534628631.db2.gz	CIXADBIDXYRMDM-UHFFFAOYSA-N	-1	0	279.295	3.336	40	0		CGABRM
Cc1cc(C(=O)[O-])cc(C)c1OC(=O)c1ccc(F)cc1	ZINC000256051353	346399041	/nfs/dbraw/zinc/39/90/41/346399041.db2.gz	IVGXNASTPIYYBS-UHFFFAOYSA-N	-1	0	288.274	3.360	40	0		CGABRM
[O-]c1c(Br)ccc(OC(F)(F)F)c1F	ZINC000307045032	346459565	/nfs/dbraw/zinc/45/95/65/346459565.db2.gz	YSYNWSMUZYYJRT-UHFFFAOYSA-N	-1	0	274.995	3.192	40	0		CGABRM
COc1ccc(C(F)(F)C23CC(C(=O)[O-])(C2)C3)cc1	ZINC000575624114	346669910	/nfs/dbraw/zinc/66/99/10/346669910.db2.gz	HRPGLNNZQIMKQB-UHFFFAOYSA-N	-1	0	268.259	3.042	40	0		CGABRM
O=C([O-])C1=Nc2nc3ccccc3n2[C@H]([C@@H]2CC=CCC2)C1	ZINC000102243718	304035509	/nfs/dbraw/zinc/03/55/09/304035509.db2.gz	MTYKKSCGUDUORH-ABAIWWIYSA-N	-1	0	295.342	3.328	40	0		CGABRM
CCCCO[C@H](Cc1c(C)cccc1C)C(=O)[O-]	ZINC000225032758	189743578	/nfs/dbraw/zinc/74/35/78/189743578.db2.gz	VRISNXUOBZWOKB-CQSZACIVSA-N	-1	0	250.338	3.116	40	0		CGABRM
CC[C@@](O)(Cc1ccccc1)[C@@H](C(=O)[O-])c1ccccc1	ZINC000001622377	368424949	/nfs/dbraw/zinc/42/49/49/368424949.db2.gz	UTGZKPJELAPNMP-SJLPKXTDSA-N	-1	0	284.355	3.239	40	0		CGABRM
CC[C@]1(CC(=O)[O-])OCCc2c3ccc(F)c(C)c3[nH]c21	ZINC000002028079	368444748	/nfs/dbraw/zinc/44/47/48/368444748.db2.gz	JDRCXYRZBCBCPS-MRXNPFEDSA-N	-1	0	291.322	3.268	40	0		CGABRM
C[C@H](CC(=O)[O-])CC(=O)c1cc(F)cc(Cl)c1	ZINC000015441782	368695100	/nfs/dbraw/zinc/69/51/00/368695100.db2.gz	SBEIXPYIFIYKIH-ZETCQYMHSA-N	-1	0	258.676	3.163	40	0		CGABRM
O=c1cc(-c2cccnc2)nc2cc(-c3cccs3)[n-]n21	ZINC000019340246	368748712	/nfs/dbraw/zinc/74/87/12/368748712.db2.gz	ZQNNJXXXDNUCSZ-UHFFFAOYSA-N	-1	0	294.339	3.225	40	0		CGABRM
CC(C)c1ccc(C(=O)Nc2ccc(O)c(C(=O)[O-])c2)cc1	ZINC000020027801	368793365	/nfs/dbraw/zinc/79/33/65/368793365.db2.gz	CUMIIZJNOABYSV-UHFFFAOYSA-N	-1	0	299.326	3.466	40	0		CGABRM
Cc1ccc(CN(CCC(=O)[O-])C(=O)OC(C)(C)C)cc1	ZINC000032155641	368927539	/nfs/dbraw/zinc/92/75/39/368927539.db2.gz	CITLJMGWMFSMPR-UHFFFAOYSA-N	-1	0	293.363	3.207	40	0		CGABRM
O=C([O-])c1ccc(-c2ccccc2)nc1NC1CC1	ZINC000049844885	369416311	/nfs/dbraw/zinc/41/63/11/369416311.db2.gz	VLCPTDRJBVJLPS-UHFFFAOYSA-N	-1	0	254.289	3.021	40	0		CGABRM
O=C([O-])C[C@@H](c1ccccc1)[S@@](=O)c1ccccc1	ZINC000073633111	369862962	/nfs/dbraw/zinc/86/29/62/369862962.db2.gz	VSLYGZHYHJSLAX-IFXJQAMLSA-N	-1	0	274.341	3.010	40	0		CGABRM
Cc1c2ccc([O-])cc2oc(=O)c1-c1ccc(N)cc1	ZINC000001642488	291608835	/nfs/dbraw/zinc/60/88/35/291608835.db2.gz	NKQBSNBLNVXOLX-UHFFFAOYSA-N	-1	0	267.284	3.056	40	0		CGABRM
O=C([O-])COc1ccc(F)cc1Oc1ccccc1	ZINC000257254062	190020901	/nfs/dbraw/zinc/02/09/01/190020901.db2.gz	KBKCUCAPQVHSGR-UHFFFAOYSA-N	-1	0	262.236	3.081	40	0		CGABRM
Cc1nccn1Cc1ncc(-c2ccccc2C(=O)[O-])s1	ZINC000257319438	190033607	/nfs/dbraw/zinc/03/36/07/190033607.db2.gz	VSOAMCPVHKSHLT-UHFFFAOYSA-N	-1	0	299.355	3.062	40	0		CGABRM
CCN(CCCC(=O)[O-])c1cccc(Br)c1	ZINC000224989416	376290275	/nfs/dbraw/zinc/29/02/75/376290275.db2.gz	OXXCTWDBIUTFDZ-UHFFFAOYSA-N	-1	0	286.169	3.140	40	0		CGABRM
Cc1ccc(O[C@H](Cc2ccccc2F)C(=O)[O-])cc1	ZINC000225050534	376293476	/nfs/dbraw/zinc/29/34/76/376293476.db2.gz	JUWLFGQOIWVPBF-OAHLLOKOSA-N	-1	0	274.291	3.209	40	0		CGABRM
CCCCO[C@@H](Cc1ccc(OC)c(Cl)c1)C(=O)[O-]	ZINC000225124618	376294486	/nfs/dbraw/zinc/29/44/86/376294486.db2.gz	OTSWADBQLOVWCX-ZDUSSCGKSA-N	-1	0	286.755	3.161	40	0		CGABRM
O=C([O-])[C@@H]1C[C@H]1c1ccccc1OCCC(F)(F)F	ZINC000408715878	380021351	/nfs/dbraw/zinc/02/13/51/380021351.db2.gz	GCOWAJMMDDLBLI-VHSXEESVSA-N	-1	0	274.238	3.206	40	0		CGABRM
Cc1ccc(C)c(NCc2ccccc2OCC(=O)[O-])c1	ZINC000409110127	380028025	/nfs/dbraw/zinc/02/80/25/380028025.db2.gz	RVYSYAIITXATBY-UHFFFAOYSA-N	-1	0	285.343	3.379	40	0		CGABRM
CC(=O)Nc1c(C(=O)[O-])ccc(C)c1OCc1ccccc1	ZINC000001562230	169714274	/nfs/dbraw/zinc/71/42/74/169714274.db2.gz	JLCMOHOGRGMOEG-UHFFFAOYSA-N	-1	0	299.326	3.231	40	0		CGABRM
Cc1cc2c(cc(C(=O)[O-])cc2OCC(F)(F)F)o1	ZINC000072228327	392204412	/nfs/dbraw/zinc/20/44/12/392204412.db2.gz	ICCZUNLDAVOPMQ-UHFFFAOYSA-N	-1	0	274.194	3.381	40	0		CGABRM
C[C@@H]1CCCC[C@H]1N(CCC(=O)[O-])C(=O)OC(C)(C)C	ZINC000582468937	393204962	/nfs/dbraw/zinc/20/49/62/393204962.db2.gz	HYFMLESBANFGDH-VXGBXAGGSA-N	-1	0	285.384	3.277	40	0		CGABRM
Cc1cc2cc3c(cc2nc1SCC(=O)[O-])CCC3	ZINC000004848630	170029870	/nfs/dbraw/zinc/02/98/70/170029870.db2.gz	PEFGPQZPEYFBQD-UHFFFAOYSA-N	-1	0	273.357	3.209	40	0		CGABRM
O=C([O-])CCSc1nc2cc(Cl)ccc2o1	ZINC000004942785	170043093	/nfs/dbraw/zinc/04/30/93/170043093.db2.gz	BKIOUVWGMDGQCH-UHFFFAOYSA-N	-1	0	257.698	3.048	40	0		CGABRM
COc1ccc(C)cc1Nc1ccc(C(=O)[O-])cc1N	ZINC000005613851	170119637	/nfs/dbraw/zinc/11/96/37/170119637.db2.gz	VHIMSVSFZQSDGT-UHFFFAOYSA-N	-1	0	272.304	3.028	40	0		CGABRM
Cc1nc(N[C@@H](C)c2ccccc2)sc1C(=O)[O-]	ZINC000008024753	170314502	/nfs/dbraw/zinc/31/45/02/170314502.db2.gz	KMYPHJDILMVPMU-QMMMGPOBSA-N	-1	0	262.334	3.323	40	0		CGABRM
CCCCC(=O)Nc1ccccc1S[C@@H](C)C(=O)[O-]	ZINC000008732834	170351583	/nfs/dbraw/zinc/35/15/83/170351583.db2.gz	BQTOJLLTBDFZGT-JTQLQIEISA-N	-1	0	281.377	3.381	40	0		CGABRM
O=C([O-])c1cccc(Br)c1OC(F)(F)F	ZINC000021299232	171300885	/nfs/dbraw/zinc/30/08/85/171300885.db2.gz	CSHDITITKWDULQ-UHFFFAOYSA-N	-1	0	285.015	3.046	40	0		CGABRM
Cc1cc(C(=O)Nc2ccc(/C=C/C(=O)[O-])cc2)c(C)o1	ZINC000035181288	172034838	/nfs/dbraw/zinc/03/48/38/172034838.db2.gz	HTPCFAWNCUPKSR-VMPITWQZSA-N	-1	0	285.299	3.247	40	0		CGABRM
CCCn1c(CCC(=O)[O-])nc2cccc(Cl)c21	ZINC000037443433	173212176	/nfs/dbraw/zinc/21/21/76/173212176.db2.gz	JPVIRRZLBWQDKP-UHFFFAOYSA-N	-1	0	266.728	3.117	40	0		CGABRM
C[C@]1(C(=O)[O-])CC(c2ccc(-c3ccccc3)cc2)=NO1	ZINC000071981058	176307782	/nfs/dbraw/zinc/30/77/82/176307782.db2.gz	SKGKYXPBMDQGNV-QGZVFWFLSA-N	-1	0	281.311	3.321	40	0		CGABRM
CCOC(=O)c1[n-]c2cc(Cl)ccc2c(=O)c1Cl	ZINC000685937567	544110025	/nfs/dbraw/zinc/11/00/25/544110025.db2.gz	RTTLRXRVDZBJMT-UHFFFAOYSA-N	-1	0	286.114	3.012	40	0		CGABRM
O=C([O-])c1cn(C(=O)c2ccccc2F)c2ccccc12	ZINC000098139555	230391551	/nfs/dbraw/zinc/39/15/51/230391551.db2.gz	SEETWHUDFUUXFH-UHFFFAOYSA-N	-1	0	283.258	3.167	40	0		CGABRM
CCOc1ccc(/N=C/c2ccccc2OCC(=O)[O-])cc1	ZINC000006962608	344866087	/nfs/dbraw/zinc/86/60/87/344866087.db2.gz	KQRWIFISDTXYJJ-WOJGMQOQSA-N	-1	0	299.326	3.299	40	0		CGABRM
CCOC(=O)c1c[n-]c2c(C)cc(F)cc2c1=S	ZINC000064874784	345266046	/nfs/dbraw/zinc/26/60/46/345266046.db2.gz	NLXAYDJKHDPOPE-UHFFFAOYSA-N	-1	0	265.309	3.148	40	0		CGABRM
O=C([O-])C1(Cc2ccc(C(F)(F)F)cc2)CCOCC1	ZINC000061674766	304030407	/nfs/dbraw/zinc/03/04/07/304030407.db2.gz	AKBQCXLIOBJPJV-UHFFFAOYSA-N	-1	0	288.265	3.129	40	0		CGABRM
CCCCO[C@@H](Cc1cc(Cl)ccc1OC)C(=O)[O-]	ZINC000225121975	189744438	/nfs/dbraw/zinc/74/44/38/189744438.db2.gz	KDFGPUZUNXYIHQ-ZDUSSCGKSA-N	-1	0	286.755	3.161	40	0		CGABRM
O=C([O-])c1nn(Cc2ccc(Cl)cc2)c2ccccc21	ZINC000001568902	368418856	/nfs/dbraw/zinc/41/88/56/368418856.db2.gz	KVJTUQKSWFBPHG-UHFFFAOYSA-N	-1	0	286.718	3.436	40	0		CGABRM
Cc1ccc(-c2cc(=O)c3cccc(CC(=O)[O-])c3o2)cc1	ZINC000001582678	368420852	/nfs/dbraw/zinc/42/08/52/368420852.db2.gz	MHSHHTISTHKEHD-UHFFFAOYSA-N	-1	0	294.306	3.396	40	0		CGABRM
COc1ccc(OC)c(CNc2ccc(C(=O)[O-])cc2)c1	ZINC000001645953	368426498	/nfs/dbraw/zinc/42/64/98/368426498.db2.gz	GXEGUWVLBXZOKU-UHFFFAOYSA-N	-1	0	287.315	3.014	40	0		CGABRM
Nc1ccc(NN=C2C=CC(=O)C(C(=O)[O-])=C2)cc1	ZINC000006661353	368569103	/nfs/dbraw/zinc/56/91/03/368569103.db2.gz	DQMAUXIQILXETR-UHFFFAOYSA-N	-1	0	257.249	3.088	40	0		CGABRM
CCc1ccc(C(=O)Nc2ccccc2C(=O)[O-])cc1	ZINC000013095023	368642034	/nfs/dbraw/zinc/64/20/34/368642034.db2.gz	VFXBQTYVZMOLIR-UHFFFAOYSA-N	-1	0	269.300	3.200	40	0		CGABRM
Cc1ccccc1C(=O)Nc1ccc(C(=O)[O-])cc1C	ZINC000013391140	368653403	/nfs/dbraw/zinc/65/34/03/368653403.db2.gz	ZVOQNVWKDJSXSP-UHFFFAOYSA-N	-1	0	269.300	3.254	40	0		CGABRM
CCc1ccc(C(=O)Nc2ccc(CC(=O)[O-])cc2)cc1	ZINC000013439758	368653487	/nfs/dbraw/zinc/65/34/87/368653487.db2.gz	DSBLDYWMZODEPR-UHFFFAOYSA-N	-1	0	283.327	3.128	40	0		CGABRM
C[C@H](C(=O)[O-])c1ccc(OCc2ccccc2)cc1	ZINC000039320939	369148756	/nfs/dbraw/zinc/14/87/56/369148756.db2.gz	GXUZGYVNJWERGG-LBPRGKRZSA-N	-1	0	256.301	3.454	40	0		CGABRM
O=C([O-])c1ccc(SCc2ccccc2F)o1	ZINC000067172553	369712853	/nfs/dbraw/zinc/71/28/53/369712853.db2.gz	HYIJXOCLFCASDM-UHFFFAOYSA-N	-1	0	252.266	3.409	40	0		CGABRM
Cc1cc2oc(Br)c(CC(=O)[O-])c2cc1F	ZINC000085399397	370017678	/nfs/dbraw/zinc/01/76/78/370017678.db2.gz	UMDFXKPUFFZJGV-UHFFFAOYSA-N	-1	0	287.084	3.270	40	0		CGABRM
O=C([O-])[C@@H]1[C@H]2Cc3ccccc3[C@@H]1c1ccccc12	ZINC000005049041	304162643	/nfs/dbraw/zinc/16/26/43/304162643.db2.gz	KMHNTVRZKXHOIB-ARFHVFGLSA-N	-1	0	250.297	3.173	40	0		CGABRM
O=C([O-])c1ccccc1-c1ccc(CN2CCOC2=O)cc1	ZINC000257270714	190023743	/nfs/dbraw/zinc/02/37/43/190023743.db2.gz	MVJNLZLPBOMABE-UHFFFAOYSA-N	-1	0	297.310	3.004	40	0		CGABRM
O=C([O-])CSc1cc(Nc2cccc(Cl)c2)ncn1	ZINC000226100398	376340398	/nfs/dbraw/zinc/34/03/98/376340398.db2.gz	WSZOUWJMQBMHIE-UHFFFAOYSA-N	-1	0	295.751	3.050	40	0		CGABRM
CCCCO[C@H](Cc1cc(C)ccc1C)C(=O)[O-]	ZINC000225030006	376293809	/nfs/dbraw/zinc/29/38/09/376293809.db2.gz	VJVNVNMILYYQBW-CQSZACIVSA-N	-1	0	250.338	3.116	40	0		CGABRM
CCCCO[C@H](Cc1ccc(Cl)cc1C)C(=O)[O-]	ZINC000225076131	376294623	/nfs/dbraw/zinc/29/46/23/376294623.db2.gz	XHZIQCSNROCQJH-CYBMUJFWSA-N	-1	0	270.756	3.461	40	0		CGABRM
O=C([O-])c1[nH]c2ccc(Cl)cc2c1Br	ZINC000020272880	304216025	/nfs/dbraw/zinc/21/60/25/304216025.db2.gz	HNUQOHMIRAPKNL-UHFFFAOYSA-N	-1	0	274.501	3.282	40	0		CGABRM
O=C([O-])c1c(Br)ccc(Br)c1F	ZINC000090411308	304216860	/nfs/dbraw/zinc/21/68/60/304216860.db2.gz	XUWXFNAXMCSSJT-UHFFFAOYSA-N	-1	0	297.905	3.049	40	0		CGABRM
Cc1ccc([C@@H](C)NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])cc1	ZINC000006214793	184532818	/nfs/dbraw/zinc/53/28/18/184532818.db2.gz	ZIQIDYFQNGVITO-SNPRPXQTSA-N	-1	0	289.375	3.063	40	0		CGABRM
O=C([O-])c1ncc(-c2ccccc2Br)s1	ZINC000199791606	304283889	/nfs/dbraw/zinc/28/38/89/304283889.db2.gz	NXPTZMZTXLVLKF-UHFFFAOYSA-N	-1	0	284.134	3.271	40	0		CGABRM
O=C([O-])c1ncc(-c2ccc3c4c(cccc42)CC3)o1	ZINC000085390879	304283910	/nfs/dbraw/zinc/28/39/10/304283910.db2.gz	JUZZQZCPWLFYRH-UHFFFAOYSA-N	-1	0	265.268	3.292	40	0		CGABRM
CC(C)c1ccc(-c2nc(N)sc2CC(=O)[O-])cc1	ZINC000031976295	391964467	/nfs/dbraw/zinc/96/44/67/391964467.db2.gz	XWXMCYAYFHKVND-UHFFFAOYSA-N	-1	0	276.361	3.143	40	0		CGABRM
CCC[C@@H](OC)c1ccc(SCC(=O)[O-])cc1	ZINC000072220266	392201592	/nfs/dbraw/zinc/20/15/92/392201592.db2.gz	JMFNESSVTBURFJ-GFCCVEGCSA-N	-1	0	254.351	3.351	40	0		CGABRM
Cc1c(F)cc2c(C(=O)[O-])ccnc2c1Br	ZINC000085400013	392225079	/nfs/dbraw/zinc/22/50/79/392225079.db2.gz	LNEYGUPAPYACIF-UHFFFAOYSA-N	-1	0	284.084	3.143	40	0		CGABRM
O=C([O-])c1ccc(NCn2c3ccccc3[nH]c2=S)cc1	ZINC000001709818	169747678	/nfs/dbraw/zinc/74/76/78/169747678.db2.gz	LMLIKWBZAQPKCX-UHFFFAOYSA-N	-1	0	299.355	3.467	40	0		CGABRM
Cc1cc(C)c2nc(SCC(=O)[O-])c(C)cc2c1	ZINC000005570656	170115046	/nfs/dbraw/zinc/11/50/46/170115046.db2.gz	XPCDWNFZJAUCAN-UHFFFAOYSA-N	-1	0	261.346	3.337	40	0		CGABRM
Cc1ccc(NC(=O)C2C(C)(C)C2(C)C)c(C(=O)[O-])c1	ZINC000005730438	170134284	/nfs/dbraw/zinc/13/42/84/170134284.db2.gz	WDPBQXKIJPERDN-UHFFFAOYSA-N	-1	0	275.348	3.314	40	0		CGABRM
O=C([O-])c1ccc(CNc2ccccc2Br)o1	ZINC000008702197	170346958	/nfs/dbraw/zinc/34/69/58/170346958.db2.gz	INQHZGOJMZOMHF-UHFFFAOYSA-N	-1	0	296.120	3.352	40	0		CGABRM
O=C([O-])c1ccc(CNc2ccc(Br)cc2)o1	ZINC000008702199	170347260	/nfs/dbraw/zinc/34/72/60/170347260.db2.gz	OJJVFTRFCLCHAX-UHFFFAOYSA-N	-1	0	296.120	3.352	40	0		CGABRM
CCC[C@@H](Nc1cccc(C(F)(F)F)c1)C(=O)[O-]	ZINC000008702787	170347668	/nfs/dbraw/zinc/34/76/68/170347668.db2.gz	AQXXCHXSCAOTCT-SNVBAGLBSA-N	-1	0	261.243	3.371	40	0		CGABRM
CCOc1cccc2c(C)nc([N-]c3nccc(C)n3)nc12	ZINC000010157493	170399637	/nfs/dbraw/zinc/39/96/37/170399637.db2.gz	BOVCMBDUYYZZFM-UHFFFAOYSA-N	-1	0	295.346	3.179	40	0		CGABRM
Cc1ccccc1C(=O)Nc1cccc(C(=O)[O-])c1C	ZINC000020137394	171024628	/nfs/dbraw/zinc/02/46/28/171024628.db2.gz	PUURZNIGEPHJLQ-UHFFFAOYSA-N	-1	0	269.300	3.254	40	0		CGABRM
CCc1ccc(C(=O)Nc2cc(C)c(O)c(C(=O)[O-])c2)cc1	ZINC000020137562	171025424	/nfs/dbraw/zinc/02/54/24/171025424.db2.gz	BJBQNYPZFFITNQ-UHFFFAOYSA-N	-1	0	299.326	3.214	40	0		CGABRM
CCOC(=O)C=C([O-])c1cccc(Cl)c1Cl	ZINC000039955727	174178303	/nfs/dbraw/zinc/17/83/03/174178303.db2.gz	PQOMOYXXUUJJBW-UHFFFAOYSA-N	-1	0	261.104	3.129	40	0		CGABRM
CCOc1cnc2ccc(Br)cc2c1C(=O)[O-]	ZINC000685937658	544110372	/nfs/dbraw/zinc/11/03/72/544110372.db2.gz	WKOQMDXMHCLKCG-UHFFFAOYSA-N	-1	0	296.120	3.094	40	0		CGABRM
COc1ccc2sc(Br)c(C(=O)[O-])c2c1	ZINC000005514514	295280632	/nfs/dbraw/zinc/28/06/32/295280632.db2.gz	JSZAGOFQGGOCAI-UHFFFAOYSA-N	-1	0	287.134	3.371	40	0		CGABRM
Cc1cc(C(=O)[O-])ccc1NC(=O)C1CCCCC1	ZINC000013391083	301154985	/nfs/dbraw/zinc/15/49/85/301154985.db2.gz	BBLLZVGNNSAELZ-UHFFFAOYSA-N	-1	0	261.321	3.212	40	0		CGABRM
CCCOc1ccc(NC(=O)CC(C)(C)CC(=O)[O-])cc1	ZINC000061827450	520389252	/nfs/dbraw/zinc/38/92/52/520389252.db2.gz	JYQCSZIOGRFVLH-UHFFFAOYSA-N	-1	0	293.363	3.305	40	0		CGABRM
Cc1ccc2c(c1)[nH]cc2[C@H](C(=O)[O-])C(F)(F)F	ZINC000255189584	567109953	/nfs/dbraw/zinc/10/99/53/567109953.db2.gz	QWCHIWUOJGLIET-SNVBAGLBSA-N	-1	0	257.211	3.207	40	0		CGABRM
Cc1c(C(=O)[O-])c2ccccc2n1C(=O)c1cccc(F)c1	ZINC000216953527	230396497	/nfs/dbraw/zinc/39/64/97/230396497.db2.gz	ONKHZVZKFOVWDX-UHFFFAOYSA-N	-1	0	297.285	3.476	40	0		CGABRM
COC(=O)[C@H](CC(=O)[O-])C1c2ccccc2-c2ccccc21	ZINC000085388813	179047129	/nfs/dbraw/zinc/04/71/29/179047129.db2.gz	VVUBHJCGKWFKRV-OAHLLOKOSA-N	-1	0	296.322	3.063	40	0		CGABRM
O=C(Nc1ccc([S-])cc1)NC1CCCCC1	ZINC000016428350	304003942	/nfs/dbraw/zinc/00/39/42/304003942.db2.gz	JQHVSURIAYZBOB-UHFFFAOYSA-N	-1	0	250.367	3.430	40	0		CGABRM
O=C([O-])[C@@H]1CC(=O)c2ccccc2[C@H]1c1ccccc1	ZINC000001684900	304098320	/nfs/dbraw/zinc/09/83/20/304098320.db2.gz	HUJDTNIBEIYHJK-GDBMZVCRSA-N	-1	0	266.296	3.106	40	0		CGABRM
CCCO[C@@H](Cc1cccc2ccccc21)C(=O)[O-]	ZINC000225049745	189743749	/nfs/dbraw/zinc/74/37/49/189743749.db2.gz	WBVFUAZUKVBMQU-HNNXBMFYSA-N	-1	0	258.317	3.262	40	0		CGABRM
COc1ccc(C[C@@H](Oc2ccccc2C)C(=O)[O-])cc1	ZINC000225101273	189744243	/nfs/dbraw/zinc/74/42/43/189744243.db2.gz	NLVSFOXAASMLKQ-MRXNPFEDSA-N	-1	0	286.327	3.078	40	0		CGABRM
CCCOc1c(Br)cc(F)cc1C(=O)[O-]	ZINC000225277658	189746069	/nfs/dbraw/zinc/74/60/69/189746069.db2.gz	HYQFXODNMHQPNI-UHFFFAOYSA-N	-1	0	277.089	3.075	40	0		CGABRM
O=C([O-])CCCc1ccc2c(c1Br)C=CC2	ZINC000001594132	368422104	/nfs/dbraw/zinc/42/21/04/368422104.db2.gz	ILBDKLMYSBCVRZ-UHFFFAOYSA-N	-1	0	281.149	3.426	40	0		CGABRM
COP(=O)(OC)/C(=C/c1c[nH]c2ccccc12)C(=O)[O-]	ZINC000001643270	368426200	/nfs/dbraw/zinc/42/62/00/368426200.db2.gz	RSZCOKNQGBVIPH-KPKJPENVSA-N	-1	0	295.231	3.079	40	0		CGABRM
Cc1cccnc1-c1cc(=O)n2[n-]c(C(C)(C)C)cc2n1	ZINC000019237881	368745591	/nfs/dbraw/zinc/74/55/91/368745591.db2.gz	UUCPCOGSKKJZGM-UHFFFAOYSA-N	-1	0	282.347	3.103	40	0		CGABRM
CCc1ccc(CC)c(S(=O)(=O)[N-]c2nccs2)c1	ZINC000032610505	368938074	/nfs/dbraw/zinc/93/80/74/368938074.db2.gz	UBQGZQNNPHVWKS-UHFFFAOYSA-N	-1	0	296.417	3.069	40	0		CGABRM
Cc1ccccc1COCc1ccccc1C(=O)[O-]	ZINC000035973466	369005461	/nfs/dbraw/zinc/00/54/61/369005461.db2.gz	AISIYCJZQHKSQQ-UHFFFAOYSA-N	-1	0	256.301	3.410	40	0		CGABRM
Cc1ccc(Nc2ccc(N)cc2C(=O)[O-])cc1C	ZINC000037930666	369126379	/nfs/dbraw/zinc/12/63/79/369126379.db2.gz	ALIVWOOHMSQECA-UHFFFAOYSA-N	-1	0	256.305	3.327	40	0		CGABRM
O=C([O-])CCO[C@H](c1cccc(Cl)c1)C(F)(F)F	ZINC000095096469	370176073	/nfs/dbraw/zinc/17/60/73/370176073.db2.gz	BAFNMWNVMQKANQ-SNVBAGLBSA-N	-1	0	282.645	3.435	40	0		CGABRM
O=C([O-])[C@H](c1c[nH]c2cc(F)ccc21)C(F)(F)F	ZINC000098213614	370269073	/nfs/dbraw/zinc/26/90/73/370269073.db2.gz	UYELSTFYNVMZAH-VIFPVBQESA-N	-1	0	261.174	3.038	40	0		CGABRM
O=C([O-])[C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C(=O)Nc1ccccc1Cl	ZINC000013320663	304159359	/nfs/dbraw/zinc/15/93/59/304159359.db2.gz	AMQBBWMQJONXHH-GAQJKIJGSA-N	-1	0	293.750	3.025	40	0		CGABRM
O=C([O-])/C=C/c1cc(Br)ccc1Cl	ZINC000141411667	371514702	/nfs/dbraw/zinc/51/47/02/371514702.db2.gz	QTPAIDAMESOZSJ-DAFODLJHSA-N	-1	0	261.502	3.200	40	0		CGABRM
CC(=O)Nc1ccc(-c2ccc(O)c(C=O)c2)c(C)c1	ZINC000096312935	541993136	/nfs/dbraw/zinc/99/31/36/541993136.db2.gz	OZPFZSSHYSDNOQ-UHFFFAOYSA-N	-1	0	269.300	3.139	40	0		CGABRM
CCOc1ccc2[n-]c(C(F)(F)F)c(C)c(=O)c2c1	ZINC000111307236	542002308	/nfs/dbraw/zinc/00/23/08/542002308.db2.gz	QCIARQKUHVRJQC-UHFFFAOYSA-N	-1	0	271.238	3.254	40	0		CGABRM
O=C([O-])c1cc(Cl)c(OCc2ccccc2F)cc1O	ZINC000216933887	376170187	/nfs/dbraw/zinc/17/01/87/376170187.db2.gz	BURGBMHOMQMSAW-UHFFFAOYSA-N	-1	0	296.681	3.462	40	0		CGABRM
CCCN(CCCC(=O)[O-])c1cc(Cl)ccc1OC	ZINC000225002421	376291163	/nfs/dbraw/zinc/29/11/63/376291163.db2.gz	XMMIHGVXPGCXDZ-UHFFFAOYSA-N	-1	0	285.771	3.430	40	0		CGABRM
CCCN(CCCC(=O)[O-])c1ccccc1OCC	ZINC000224998587	376291758	/nfs/dbraw/zinc/29/17/58/376291758.db2.gz	LXMUPGJTUZZTFO-UHFFFAOYSA-N	-1	0	265.353	3.167	40	0		CGABRM
CCN(CCCC(=O)[O-])c1cccc(C(F)(F)F)c1	ZINC000224996354	376291839	/nfs/dbraw/zinc/29/18/39/376291839.db2.gz	HGLVOOXXZIMIAM-UHFFFAOYSA-N	-1	0	275.270	3.397	40	0		CGABRM
COc1ccc(O[C@@H](Cc2cccc(C)c2)C(=O)[O-])cc1	ZINC000225018341	376293174	/nfs/dbraw/zinc/29/31/74/376293174.db2.gz	TUFMQRIDNYBVHZ-INIZCTEOSA-N	-1	0	286.327	3.078	40	0		CGABRM
COc1cccc(C[C@@H](Oc2ccc(C)cc2)C(=O)[O-])c1	ZINC000225098866	376294998	/nfs/dbraw/zinc/29/49/98/376294998.db2.gz	UWHLSSBPMGSXGZ-MRXNPFEDSA-N	-1	0	286.327	3.078	40	0		CGABRM
Cc1cccc2c1N([C@H](C)C(=O)[O-])C(C)(C)C=C2C	ZINC000260616206	377808194	/nfs/dbraw/zinc/80/81/94/377808194.db2.gz	GSDAVKJJVJPAMY-GFCCVEGCSA-N	-1	0	259.349	3.470	40	0		CGABRM
O=C([O-])c1cc(Cl)n(-c2cccc(C(F)(F)F)c2)n1	ZINC000072220902	304224567	/nfs/dbraw/zinc/22/45/67/304224567.db2.gz	OXGWMCBBYVLOOO-UHFFFAOYSA-N	-1	0	290.628	3.243	40	0		CGABRM
CCN(c1cccc(Cl)c1Cl)[C@@H](C)C(=O)[O-]	ZINC000224993677	285147361	/nfs/dbraw/zinc/14/73/61/285147361.db2.gz	JXEBKHCOLCUZEH-ZETCQYMHSA-N	-1	0	262.136	3.293	40	0		CGABRM
Cc1cccc(N2N=C(C(=O)[O-])C[C@@H]2c2ccccc2)c1	ZINC000071979046	392194360	/nfs/dbraw/zinc/19/43/60/392194360.db2.gz	ZAOXIMMLOTVZSD-MRXNPFEDSA-N	-1	0	280.327	3.387	40	0		CGABRM
O=C([O-])c1ccc(Cc2cccc(Br)c2)o1	ZINC000084197736	392223874	/nfs/dbraw/zinc/22/38/74/392223874.db2.gz	GGHDOCZBWDNVAE-UHFFFAOYSA-N	-1	0	281.105	3.331	40	0		CGABRM
COc1cc(OCc2cccc(F)c2)c(C(=O)[O-])s1	ZINC000096510886	392257891	/nfs/dbraw/zinc/25/78/91/392257891.db2.gz	HYLTWMYWBMIGGT-UHFFFAOYSA-N	-1	0	282.292	3.173	40	0		CGABRM
O=C([O-])c1ccc(OC(F)(F)F)c(C(F)(F)F)c1	ZINC000169796942	397659756	/nfs/dbraw/zinc/65/97/56/397659756.db2.gz	INFNVLCOAJVGDO-UHFFFAOYSA-N	-1	0	274.116	3.302	40	0		CGABRM
CCCCCn1cc(C(=O)[O-])c(=O)c2cc(F)c(F)cc21	ZINC000005419321	170097228	/nfs/dbraw/zinc/09/72/28/170097228.db2.gz	GDYYUNIVBWCBHK-UHFFFAOYSA-N	-1	0	295.285	3.168	40	0		CGABRM
O=C([O-])c1ccccc1NC(=S)c1ccccc1	ZINC000006514113	170208828	/nfs/dbraw/zinc/20/88/28/170208828.db2.gz	BIBRRKBRYMBTBP-UHFFFAOYSA-N	-1	0	257.314	3.172	40	0		CGABRM
Cc1cc(Nc2ccc(C(=O)[O-])cc2)nc(C(C)C)n1	ZINC000008702966	170347925	/nfs/dbraw/zinc/34/79/25/170347925.db2.gz	RQFKUNKCBIACGC-UHFFFAOYSA-N	-1	0	271.320	3.350	40	0		CGABRM
O=C([O-])c1ccc(OCc2nnc(-c3ccccc3)o2)cc1	ZINC000008731392	170351134	/nfs/dbraw/zinc/35/11/34/170351134.db2.gz	ZNCYUTALQBICRI-UHFFFAOYSA-N	-1	0	296.282	3.014	40	0		CGABRM
CCCC(=O)Nc1ccccc1SCCCC(=O)[O-]	ZINC000008732818	170351475	/nfs/dbraw/zinc/35/14/75/170351475.db2.gz	VPTYXSHVULRVOF-UHFFFAOYSA-N	-1	0	281.377	3.382	40	0		CGABRM
CC(C)C(=O)Nc1ccccc1SCCCC(=O)[O-]	ZINC000008732827	170351571	/nfs/dbraw/zinc/35/15/71/170351571.db2.gz	QLBPVWMRACMIDO-UHFFFAOYSA-N	-1	0	281.377	3.238	40	0		CGABRM
O=C([O-])CCCC(=O)c1ccc(OC(F)(F)F)cc1	ZINC000020423219	171189865	/nfs/dbraw/zinc/18/98/65/171189865.db2.gz	HTWDISYUEAGTMF-UHFFFAOYSA-N	-1	0	276.210	3.023	40	0		CGABRM
O=C([O-])c1c(F)cc(OCc2ccccc2)cc1F	ZINC000021987793	171345746	/nfs/dbraw/zinc/34/57/46/171345746.db2.gz	DLMDJHHWRKCELX-UHFFFAOYSA-N	-1	0	264.227	3.242	40	0		CGABRM
O=C([O-])c1cccc(NCc2ccc(O)c(Cl)c2)c1	ZINC000044292196	175160300	/nfs/dbraw/zinc/16/03/00/175160300.db2.gz	CUMVINCCMBJSAK-UHFFFAOYSA-N	-1	0	277.707	3.356	40	0		CGABRM
O=C([O-])c1ccccc1C(=O)Cc1ccccc1Cl	ZINC000044564192	175207244	/nfs/dbraw/zinc/20/72/44/175207244.db2.gz	OXSNYSUEOCWYOT-UHFFFAOYSA-N	-1	0	274.703	3.464	40	0		CGABRM
CN(Cc1ccccc1)c1c(F)cc(C(=O)[O-])cc1F	ZINC000062721140	175673387	/nfs/dbraw/zinc/67/33/87/175673387.db2.gz	MMNHHHWZKYKLCL-UHFFFAOYSA-N	-1	0	277.270	3.299	40	0		CGABRM
CCC(=O)Nc1ccc(-c2ccc(C(=O)[O-])o2)c(C)c1	ZINC000226352635	416522177	/nfs/dbraw/zinc/52/21/77/416522177.db2.gz	MMVARCFEGLTGCV-UHFFFAOYSA-N	-1	0	273.288	3.302	40	0		CGABRM
CC(C)Oc1nc2ccc(Cl)cc2cc1C(=O)[O-]	ZINC000685937072	544109654	/nfs/dbraw/zinc/10/96/54/544109654.db2.gz	JNNOILTUOFDNFT-UHFFFAOYSA-N	-1	0	265.696	3.374	40	0		CGABRM
Cc1ccc(NCc2ccccc2OCC(=O)[O-])c(C)c1	ZINC000409113001	261137876	/nfs/dbraw/zinc/13/78/76/261137876.db2.gz	DCGBGVVKIDSLGC-UHFFFAOYSA-N	-1	0	285.343	3.379	40	0		CGABRM
O=C([O-])c1cc(OCc2ccc(F)cc2Cl)ccc1O	ZINC000216846006	262340963	/nfs/dbraw/zinc/34/09/63/262340963.db2.gz	BGPVAYYEHJFTEC-UHFFFAOYSA-N	-1	0	296.681	3.462	40	0		CGABRM
CC(=O)c1coc2ccc([O-])c(Br)c12	ZINC000096509885	277116970	/nfs/dbraw/zinc/11/69/70/277116970.db2.gz	MUPOGFWAXKSVHB-UHFFFAOYSA-N	-1	0	255.067	3.104	40	0		CGABRM
COc1cccc(-c2nc3cc(C(=O)[O-])ccc3o2)c1	ZINC000020222863	295280944	/nfs/dbraw/zinc/28/09/44/295280944.db2.gz	PZYSYEDZBVPVLQ-UHFFFAOYSA-N	-1	0	269.256	3.202	40	0		CGABRM
Cc1cccc(-n2nc(C(=O)[O-])nc2-c2ccc(F)cc2)c1	ZINC000008730848	344875022	/nfs/dbraw/zinc/87/50/22/344875022.db2.gz	KOCRTYCMNXDSTL-UHFFFAOYSA-N	-1	0	297.289	3.080	40	0		CGABRM
CCOC(=O)c1oc2ccc(Cl)c([O-])c2c1C	ZINC000085395617	179049113	/nfs/dbraw/zinc/04/91/13/179049113.db2.gz	JVOIYTKMLBIAEN-UHFFFAOYSA-N	-1	0	254.669	3.277	40	0		CGABRM
O=C([O-])CCc1nc(-c2cc(Cl)cc(Cl)c2)no1	ZINC000089262120	179761890	/nfs/dbraw/zinc/76/18/90/179761890.db2.gz	FLJBYVRXJDTVEY-UHFFFAOYSA-N	-1	0	287.102	3.061	40	0		CGABRM
O=C([O-])[C@@H]1CCc2cccc3c2[C@@H]1c1ccccc1-3	ZINC000085388757	304129265	/nfs/dbraw/zinc/12/92/65/304129265.db2.gz	RJIPQKDZDJRYGY-GDBMZVCRSA-N	-1	0	250.297	3.446	40	0		CGABRM
CCCO[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)[O-]	ZINC000225095425	189744104	/nfs/dbraw/zinc/74/41/04/189744104.db2.gz	OKWRGWMOFLPXKB-LLVKDONJSA-N	-1	0	276.254	3.128	40	0		CGABRM
O=C([O-])/C=C/c1nc2ccccc2nc1-c1ccccc1	ZINC000001556730	368417480	/nfs/dbraw/zinc/41/74/80/368417480.db2.gz	YPUVOFWFSKCSCS-ZHACJKMWSA-N	-1	0	276.295	3.395	40	0		CGABRM
Cc1ccc([C@H](Nc2ccccc2F)C(=O)[O-])cc1	ZINC000004264436	368539142	/nfs/dbraw/zinc/53/91/42/368539142.db2.gz	JHQRPLRQUPRKKA-AWEZNQCLSA-N	-1	0	259.280	3.372	40	0		CGABRM
Cc1cc(C)cc(NC(=O)COc2ccccc2C(=O)[O-])c1	ZINC000013080174	368642228	/nfs/dbraw/zinc/64/22/28/368642228.db2.gz	NAGUAGIQIGZHRL-UHFFFAOYSA-N	-1	0	299.326	3.019	40	0		CGABRM
Cc1cccc(OCC(=O)Nc2cc(C(=O)[O-])ccc2C)c1	ZINC000013169821	368646874	/nfs/dbraw/zinc/64/68/74/368646874.db2.gz	MPZFQEWJBUOHHL-UHFFFAOYSA-N	-1	0	299.326	3.019	40	0		CGABRM
Cc1ccc(NC(=O)COc2ccc(C(=O)[O-])cc2)cc1C	ZINC000013412145	368653554	/nfs/dbraw/zinc/65/35/54/368653554.db2.gz	YAPWDZIWBZPVDJ-UHFFFAOYSA-N	-1	0	299.326	3.019	40	0		CGABRM
O=C([O-])c1c[nH]c2ccc(OCc3ccccc3)cc21	ZINC000026895907	368865208	/nfs/dbraw/zinc/86/52/08/368865208.db2.gz	QQZRHKUJAMWIOA-UHFFFAOYSA-N	-1	0	267.284	3.445	40	0		CGABRM
O=C([O-])[C@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)Nc1cccc(Cl)c1	ZINC000036008867	369007471	/nfs/dbraw/zinc/00/74/71/369007471.db2.gz	GFWRORRWALMWRD-PSJXJDHFSA-N	-1	0	293.750	3.025	40	0		CGABRM
CC(C)c1ncc(C(=O)[O-])c(Nc2ccccc2)n1	ZINC000049469612	369403774	/nfs/dbraw/zinc/40/37/74/369403774.db2.gz	XWEXFQGLMZYJIB-UHFFFAOYSA-N	-1	0	257.293	3.042	40	0		CGABRM
Cc1c(F)cc(C(=O)[O-])cc1OCc1ccccc1	ZINC000095095514	370175124	/nfs/dbraw/zinc/17/51/24/370175124.db2.gz	MGTOQBFIUUWOKP-UHFFFAOYSA-N	-1	0	260.264	3.411	40	0		CGABRM
O=C1O[C@@H](c2ccccc2)C([O-])=C1c1ccccc1	ZINC000104321933	370343423	/nfs/dbraw/zinc/34/34/23/370343423.db2.gz	QOZLFBARPXJJFW-HNNXBMFYSA-N	-1	0	252.269	3.254	40	0		CGABRM
O=C([O-])[C@H]1CC(=O)c2cccc3c2[C@H]1c1ccccc1-3	ZINC000085388860	304175047	/nfs/dbraw/zinc/17/50/47/304175047.db2.gz	IQDITGYLNALZDR-BBRMVZONSA-N	-1	0	264.280	3.086	40	0		CGABRM
O=C([O-])[C@@H](Cc1ccccc1)Sc1ccccc1	ZINC000196717057	376119652	/nfs/dbraw/zinc/11/96/52/376119652.db2.gz	VVIJNBQQHHRREA-CQSZACIVSA-N	-1	0	258.342	3.475	40	0		CGABRM
Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(F)s2)c1	ZINC000225386856	376306121	/nfs/dbraw/zinc/30/61/21/376306121.db2.gz	FVGOJURPLCGYFP-UHFFFAOYSA-N	-1	0	285.365	3.305	40	0		CGABRM
CCOC(=O)c1[n-]c2ccc(Cl)cc2c(=O)c1Cl	ZINC000142737330	542095020	/nfs/dbraw/zinc/09/50/20/542095020.db2.gz	CEXWZLDWVSTRCR-UHFFFAOYSA-N	-1	0	286.114	3.012	40	0		CGABRM
C[C@]1(Cc2ccc(F)cc2)Cc2cc(C(=O)[O-])ccc2O1	ZINC000257208399	377795659	/nfs/dbraw/zinc/79/56/59/377795659.db2.gz	BMAHDXVUHSXGFZ-KRWDZBQOSA-N	-1	0	286.302	3.460	40	0		CGABRM
CC(=O)Nc1c2ccc(C(C)(C)C)cc2[nH]c1C(=O)[O-]	ZINC000408712455	380019432	/nfs/dbraw/zinc/01/94/32/380019432.db2.gz	JQZPUYSCRSMQAI-UHFFFAOYSA-N	-1	0	274.320	3.122	40	0		CGABRM
O=C([O-])c1ccc2c(c1)S[C@H]1NC(c3ccccc3)=CN21	ZINC000100747041	304253271	/nfs/dbraw/zinc/25/32/71/304253271.db2.gz	NEWRZFFKEPOBAO-INIZCTEOSA-N	-1	0	296.351	3.182	40	0		CGABRM
Cc1n[nH]c2c1c(=O)n(-c1ccccc1)c1ccccc21	ZINC000003844346	391919171	/nfs/dbraw/zinc/91/91/71/391919171.db2.gz	IGNVQTPIIUMBTR-UHFFFAOYSA-N	-1	0	275.311	3.175	40	0		CGABRM
Cc1cccc2c([C@@H](C(=O)[O-])C(F)(F)F)c[nH]c21	ZINC000255190778	397669397	/nfs/dbraw/zinc/66/93/97/397669397.db2.gz	ZJCXVAQFBOIWEI-VIFPVBQESA-N	-1	0	257.211	3.207	40	0		CGABRM
O=C([O-])C[C@@H](n1nc(C(F)F)cc1C1CC1)C(F)(F)F	ZINC000675031517	543310103	/nfs/dbraw/zinc/31/01/03/543310103.db2.gz	LRGWWEINPRJZRG-MRVPVSSYSA-N	-1	0	298.211	3.276	40	0		CGABRM
CCC[C@@](O)(C(=O)[O-])c1ccc(-c2ccccc2)cc1	ZINC000001734020	169752278	/nfs/dbraw/zinc/75/22/78/169752278.db2.gz	PBGJDQGWKOWCEA-KRWDZBQOSA-N	-1	0	270.328	3.426	40	0		CGABRM
Cc1ccc(OCC(=O)Nc2ccc(C(=O)[O-])cc2)c(C)c1	ZINC000005744775	170136283	/nfs/dbraw/zinc/13/62/83/170136283.db2.gz	NTPHYCKBYIZWCV-UHFFFAOYSA-N	-1	0	299.326	3.019	40	0		CGABRM
O=C([O-])C1CCN(C(=O)Nc2cccc3ccccc32)CC1	ZINC000005905113	170153168	/nfs/dbraw/zinc/15/31/68/170153168.db2.gz	RWSWYNSPZKODJW-UHFFFAOYSA-N	-1	0	298.342	3.168	40	0		CGABRM
COc1ccccc1-c1c(C)oc2cc([O-])cc(O)c2c1=O	ZINC000006008303	170167566	/nfs/dbraw/zinc/16/75/66/170167566.db2.gz	LTCPWBCPTSNVEV-UHFFFAOYSA-N	-1	0	298.294	3.188	40	0		CGABRM
CCCc1nc(C)cc(Nc2ccc(C(=O)[O-])cc2)n1	ZINC000008702963	170347671	/nfs/dbraw/zinc/34/76/71/170347671.db2.gz	IDUFMEIUQFFXMV-UHFFFAOYSA-N	-1	0	271.320	3.179	40	0		CGABRM
CC(C)(C)CC(=O)Nc1ccccc1SCC(=O)[O-]	ZINC000008732923	170351527	/nfs/dbraw/zinc/35/15/27/170351527.db2.gz	HMWCIDLVLNJNFS-UHFFFAOYSA-N	-1	0	281.377	3.238	40	0		CGABRM
CC(C)(C)c1ccc(-c2noc(CCC(=O)[O-])n2)cc1	ZINC000020269117	171124751	/nfs/dbraw/zinc/12/47/51/171124751.db2.gz	WLACRHHIACLBHC-UHFFFAOYSA-N	-1	0	274.320	3.051	40	0		CGABRM
Cc1cccc(-c2noc(-c3ccccc3C(=O)[O-])n2)c1	ZINC000020303912	171141047	/nfs/dbraw/zinc/14/10/47/171141047.db2.gz	XBGRVOQYGJGONJ-UHFFFAOYSA-N	-1	0	280.283	3.410	40	0		CGABRM
CCN1C(=O)c2ccccc2[C@H](C(=O)[O-])[C@@H]1c1ccccc1	ZINC000049466764	175481277	/nfs/dbraw/zinc/48/12/77/175481277.db2.gz	TXZFOENUILIFRQ-HOTGVXAUSA-N	-1	0	295.338	3.072	40	0		CGABRM
CC(C)(C)OC(=O)N1CCCc2cc(CC(=O)[O-])ccc21	ZINC000217772235	278397527	/nfs/dbraw/zinc/39/75/27/278397527.db2.gz	JVSCHSZGYGCJKH-UHFFFAOYSA-N	-1	0	291.347	3.001	40	0		CGABRM
Cc1cc([O-])cc2occ(-c3ccccc3)c(=O)c12	ZINC000002545404	301370888	/nfs/dbraw/zinc/37/08/88/301370888.db2.gz	BNGROPIASMMBOU-UHFFFAOYSA-N	-1	0	252.269	3.474	40	0		CGABRM
CC(C)Sc1nc2ccccc2n1[C@H](C)C(=O)[O-]	ZINC000007463486	528335134	/nfs/dbraw/zinc/33/51/34/528335134.db2.gz	JJAWLHSZOOXLIR-SECBINFHSA-N	-1	0	264.350	3.182	40	0		CGABRM
CCc1nnc(S/C(=C\c2ccc(C)cc2)C(=O)[O-])o1	ZINC000007508249	344868578	/nfs/dbraw/zinc/86/85/78/344868578.db2.gz	GURNYKCLCKDCNK-FLIBITNWSA-N	-1	0	290.344	3.158	40	0		CGABRM
CCOC(=O)c1c[n-]c2c(C)ccc(F)c2c1=S	ZINC000064874863	345266025	/nfs/dbraw/zinc/26/60/25/345266025.db2.gz	GTNRLLOTGIBHSN-UHFFFAOYSA-N	-1	0	265.309	3.148	40	0		CGABRM
[O-]c1c(F)cc(C(F)(F)F)cc1Br	ZINC000218314963	346292763	/nfs/dbraw/zinc/29/27/63/346292763.db2.gz	WEAKVICZJFBSER-UHFFFAOYSA-N	-1	0	258.996	3.313	40	0		CGABRM
O=C([O-])c1cc(OCc2c(F)cccc2Cl)ccc1O	ZINC000216932654	189707295	/nfs/dbraw/zinc/70/72/95/189707295.db2.gz	KXEIDNCZDFWUNZ-UHFFFAOYSA-N	-1	0	296.681	3.462	40	0		CGABRM
COc1ccc(O[C@@H](Cc2ccc(C)cc2)C(=O)[O-])cc1	ZINC000225020747	189743580	/nfs/dbraw/zinc/74/35/80/189743580.db2.gz	FOXDROJRSULZSQ-INIZCTEOSA-N	-1	0	286.327	3.078	40	0		CGABRM
O=C([O-])[C@@H](Cc1ccc(F)cc1)OCc1ccccc1	ZINC000225055413	189744077	/nfs/dbraw/zinc/74/40/77/189744077.db2.gz	OOKCYJQOWICGSY-OAHLLOKOSA-N	-1	0	274.291	3.038	40	0		CGABRM
COc1cccc(-c2oc3ccccc3c(=O)c2O)c1OC	ZINC000000057748	368279596	/nfs/dbraw/zinc/27/95/96/368279596.db2.gz	KEUIFZDBIBQKJD-UHFFFAOYSA-N	-1	0	298.294	3.183	40	0	biogenic,in-vitro	CGABRM
Cc1nc2cc(C(=O)[O-])c(=O)cc-2[nH]c1-c1ccccc1	ZINC000000392083	368356066	/nfs/dbraw/zinc/35/60/66/368356066.db2.gz	FOLLIPRQSKTKTH-UHFFFAOYSA-N	-1	0	280.283	3.009	40	0		CGABRM
COc1ccc(CNc2cccc(C(=O)[O-])c2)cc1OC	ZINC000000570818	368389214	/nfs/dbraw/zinc/38/92/14/368389214.db2.gz	AIOWQLGUBVJXEJ-UHFFFAOYSA-N	-1	0	287.315	3.014	40	0		CGABRM
O=C([O-])c1cccc(NC(=O)c2cccc(Cl)c2)c1	ZINC000004201477	368536483	/nfs/dbraw/zinc/53/64/83/368536483.db2.gz	OWFYZEAOJWTYDP-UHFFFAOYSA-N	-1	0	275.691	3.291	40	0		CGABRM
Cc1nc2ccccc2nc1COc1cccc(C(=O)[O-])c1	ZINC000006500423	368567171	/nfs/dbraw/zinc/56/71/71/368567171.db2.gz	DUVWEOHZEDVNEF-UHFFFAOYSA-N	-1	0	294.310	3.215	40	0		CGABRM
CC(C)CC(=O)Nc1cc(Cl)ccc1C(=O)[O-]	ZINC000013185661	368646131	/nfs/dbraw/zinc/64/61/31/368646131.db2.gz	JIVPXSUQTZOHSU-UHFFFAOYSA-N	-1	0	255.701	3.023	40	0		CGABRM
O=C([O-])CCc1nc(-c2ccc(Cl)c(Cl)c2)no1	ZINC000017087016	368727477	/nfs/dbraw/zinc/72/74/77/368727477.db2.gz	JTGXNSDOBXAATM-UHFFFAOYSA-N	-1	0	287.102	3.061	40	0		CGABRM
CCCCc1c(C)[n-]n(-c2nc3ccccc3o2)c1=O	ZINC000014607866	368682842	/nfs/dbraw/zinc/68/28/42/368682842.db2.gz	CHDXMXKRODWTFW-UHFFFAOYSA-N	-1	0	271.320	3.370	40	0		CGABRM
Cn1c2ccc(Cl)cc2c(Br)c1C(=O)[O-]	ZINC000019770081	368764734	/nfs/dbraw/zinc/76/47/34/368764734.db2.gz	JUZPFPPYPCQBLW-UHFFFAOYSA-N	-1	0	288.528	3.292	40	0		CGABRM
O=C([O-])c1cccnc1Nc1ccccc1Br	ZINC000019845047	368773244	/nfs/dbraw/zinc/77/32/44/368773244.db2.gz	CUPNZGBWOISYFM-UHFFFAOYSA-N	-1	0	293.120	3.286	40	0		CGABRM
CC(C)c1ccc(/C=C/C(=O)N[C@H](C(=O)[O-])C(C)C)cc1	ZINC000033443226	368965166	/nfs/dbraw/zinc/96/51/66/368965166.db2.gz	ADIVUKYNTIFLRL-JCVNQNCUSA-N	-1	0	289.375	3.049	40	0		CGABRM
C[C@@H](C(=O)[O-])c1ccc(OCc2ccccc2)cc1	ZINC000039320941	369149058	/nfs/dbraw/zinc/14/90/58/369149058.db2.gz	GXUZGYVNJWERGG-GFCCVEGCSA-N	-1	0	256.301	3.454	40	0		CGABRM
O=C([O-])C[C@H](c1ccccc1)[S@](=O)c1ccccc1	ZINC000073633112	369863007	/nfs/dbraw/zinc/86/30/07/369863007.db2.gz	VSLYGZHYHJSLAX-KUHUBIRLSA-N	-1	0	274.341	3.010	40	0		CGABRM
CC(C)(C)OC(=O)N1CC[C@H](C(=O)[O-])[C@@H]1c1ccccc1	ZINC000085344312	370017945	/nfs/dbraw/zinc/01/79/45/370017945.db2.gz	JNMGJNQZIAVFJE-STQMWFEESA-N	-1	0	291.347	3.069	40	0		CGABRM
O=C([O-])c1ccccc1-c1ccc(CNc2cnccn2)o1	ZINC000257329106	190034836	/nfs/dbraw/zinc/03/48/36/190034836.db2.gz	XILVCIHAMCATKW-UHFFFAOYSA-N	-1	0	295.298	3.047	40	0		CGABRM
COc1cccc2c1N([C@@H](C)C(=O)[O-])C(C)(C)C[C@@H]2C	ZINC000223191921	376248196	/nfs/dbraw/zinc/24/81/96/376248196.db2.gz	BCGARUXQAWHHKH-QWRGUYRKSA-N	-1	0	277.364	3.261	40	0		CGABRM
CN(CCCC(=O)[O-])c1cccc(Cl)c1Cl	ZINC000224993513	376292300	/nfs/dbraw/zinc/29/23/00/376292300.db2.gz	XQIJXXWNUASFGD-UHFFFAOYSA-N	-1	0	262.136	3.294	40	0		CGABRM
CCc1ccc(C[C@H](Oc2ccccc2)C(=O)[O-])cc1	ZINC000225042103	376293199	/nfs/dbraw/zinc/29/31/99/376293199.db2.gz	JKOBKAXCHOPZII-INIZCTEOSA-N	-1	0	270.328	3.324	40	0		CGABRM
O=C([O-])[C@@H](Cc1ccccc1F)OCc1ccccc1	ZINC000225053023	376293957	/nfs/dbraw/zinc/29/39/57/376293957.db2.gz	BXLGQUQAPVCEFV-OAHLLOKOSA-N	-1	0	274.291	3.038	40	0		CGABRM
COc1ccc(C[C@H](Oc2ccc(C)cc2)C(=O)[O-])cc1	ZINC000225101477	376295560	/nfs/dbraw/zinc/29/55/60/376295560.db2.gz	VZDWJPRUPKYLRW-INIZCTEOSA-N	-1	0	286.327	3.078	40	0		CGABRM
O=C([O-])[C@@H]1C[C@H]1c1ccc(OCCC(F)(F)F)cc1	ZINC000408715706	380021162	/nfs/dbraw/zinc/02/11/62/380021162.db2.gz	CPUQLHGMSLVZCJ-WDEREUQCSA-N	-1	0	274.238	3.206	40	0		CGABRM
Cc1ccccc1NCc1ccccc1OCC(=O)[O-]	ZINC000409109661	380027440	/nfs/dbraw/zinc/02/74/40/380027440.db2.gz	IWXRMWZIEQMQJA-UHFFFAOYSA-N	-1	0	271.316	3.071	40	0		CGABRM
O=C([O-])c1ccccc1C(=O)O[C@H]1C[C@H]2CC[C@]23CC[C@H]13	ZINC000001709875	304267282	/nfs/dbraw/zinc/26/72/82/304267282.db2.gz	XRSKZGAGTGEUHF-KWAYOQMPSA-N	-1	0	286.327	3.120	40	0		CGABRM
O=C([O-])c1cccn1-c1ccccc1C(F)(F)F	ZINC000075386232	304272239	/nfs/dbraw/zinc/27/22/39/304272239.db2.gz	DBGYHANAOCNQTO-UHFFFAOYSA-N	-1	0	255.195	3.194	40	0		CGABRM
CCOC(=O)c1oc2ccc(Br)c([O-])c2c1C	ZINC000039244787	391983768	/nfs/dbraw/zinc/98/37/68/391983768.db2.gz	BDWAWNNLEFRHMQ-UHFFFAOYSA-N	-1	0	299.120	3.386	40	0		CGABRM
CC[C@H](C)n1c2ccc(Cl)cc2nc1[C@H](O)CC(=O)[O-]	ZINC000064874430	392143196	/nfs/dbraw/zinc/14/31/96/392143196.db2.gz	QONQHZIZMVBTQO-QPUJVOFHSA-N	-1	0	296.754	3.169	40	0		CGABRM
CSc1sc(C(=O)[O-])c(OC(F)F)c1Cl	ZINC000096511000	392257314	/nfs/dbraw/zinc/25/73/14/392257314.db2.gz	JLXUJVIZRPFTFB-UHFFFAOYSA-N	-1	0	274.697	3.423	40	0		CGABRM
O=C([O-])CCCOc1ccc(Cl)c2cccnc12	ZINC000013609313	170569450	/nfs/dbraw/zinc/56/94/50/170569450.db2.gz	CDDNDWMVRAJTGT-UHFFFAOYSA-N	-1	0	265.696	3.132	40	0		CGABRM
O=C([O-])C1(c2ccc(Cl)c(Cl)c2)CCC(=O)CC1	ZINC000035630110	172311345	/nfs/dbraw/zinc/31/13/45/172311345.db2.gz	DBDIMKGSZUQUSV-UHFFFAOYSA-N	-1	0	287.142	3.459	40	0		CGABRM
Cn1c(CCCCC(=O)[O-])nc2cccc(Cl)c21	ZINC000037443327	173211988	/nfs/dbraw/zinc/21/19/88/173211988.db2.gz	INUDZBAQICLGHU-UHFFFAOYSA-N	-1	0	266.728	3.024	40	0		CGABRM
CC(=O)O[C@@H](Cc1ccccc1)[C@@H](C(=O)[O-])c1ccccc1	ZINC000001681781	278220220	/nfs/dbraw/zinc/22/02/20/278220220.db2.gz	WJUDITABCJCQBP-IRXDYDNUSA-N	-1	0	298.338	3.029	40	0		CGABRM
Cc1c([O-])ccc2c(=O)c(-c3ccc(O)cc3)coc12	ZINC000028631041	280250597	/nfs/dbraw/zinc/25/05/97/280250597.db2.gz	WSWZVNSJDDRIHL-UHFFFAOYSA-N	-1	0	268.268	3.180	40	0		CGABRM
COc1ccc2cc(C(=O)[O-])ccc2c1Br	ZINC000072226984	295278983	/nfs/dbraw/zinc/27/89/83/295278983.db2.gz	MOXYUVGAYDEWQR-UHFFFAOYSA-N	-1	0	281.105	3.309	40	0		CGABRM
Cc1c(C(=O)[O-])cnc2cc(-c3ccccc3Cl)nn21	ZINC000226106979	300949405	/nfs/dbraw/zinc/94/94/05/300949405.db2.gz	RTFVMFXQXMFRCQ-UHFFFAOYSA-N	-1	0	287.706	3.056	40	0		CGABRM
Cc1ccc2nc(C(=O)[O-])cc(C(F)(F)F)c2c1	ZINC000095101173	301924827	/nfs/dbraw/zinc/92/48/27/301924827.db2.gz	CGGZWHADFOHHHY-UHFFFAOYSA-N	-1	0	255.195	3.260	40	0		CGABRM
O=C([O-])/C=C/c1nc(-c2ccccc2)c2ccccn12	ZINC000225745131	527548454	/nfs/dbraw/zinc/54/84/54/527548454.db2.gz	AQUXEKPZKXXVJH-MDZDMXLPSA-N	-1	0	264.284	3.099	40	0		CGABRM
CC(C)(C)OC(=O)N[C@H]1C[C@@]2(C(=O)[O-])CC[C@]1(C)C2(C)C	ZINC000085398791	345745472	/nfs/dbraw/zinc/74/54/72/345745472.db2.gz	OHYNXVFOMLEBLI-CIISACIHSA-N	-1	0	297.395	3.181	40	0		CGABRM
CCCCc1ccc(-n2nc(C)c(CC(=O)[O-])c2C)cc1	ZINC000085398097	179050632	/nfs/dbraw/zinc/05/06/32/179050632.db2.gz	LRTNFMBWQYWGHP-UHFFFAOYSA-N	-1	0	286.375	3.459	40	0		CGABRM
CC(C)(C)OC(=O)NC(C)(C)CC(C)(C)CC(=O)[O-]	ZINC000256053009	346399333	/nfs/dbraw/zinc/39/93/33/346399333.db2.gz	PQNCPSXIOCJMTC-UHFFFAOYSA-N	-1	0	273.373	3.181	40	0		CGABRM
O=C([O-])[C@@H]1CC(=O)c2cccc3c2[C@H]1c1ccccc1-3	ZINC000085388851	304098258	/nfs/dbraw/zinc/09/82/58/304098258.db2.gz	IQDITGYLNALZDR-CJNGLKHVSA-N	-1	0	264.280	3.086	40	0		CGABRM
Cc1ccc(C[C@@H](Oc2ccccc2)C(=O)[O-])cc1	ZINC000225019424	189743467	/nfs/dbraw/zinc/74/34/67/189743467.db2.gz	SDODGXQMUXAEON-OAHLLOKOSA-N	-1	0	256.301	3.070	40	0		CGABRM
CCCCO[C@H](Cc1ccc(OC)c(Cl)c1)C(=O)[O-]	ZINC000225124647	189744314	/nfs/dbraw/zinc/74/43/14/189744314.db2.gz	OTSWADBQLOVWCX-CYBMUJFWSA-N	-1	0	286.755	3.161	40	0		CGABRM
C[C@@H](CC(=O)c1ccc(Cl)c(Cl)c1)C(=O)[O-]	ZINC000000022202	368271203	/nfs/dbraw/zinc/27/12/03/368271203.db2.gz	LFVIGPLSBDXHSL-LURJTMIESA-N	-1	0	261.104	3.287	40	0		CGABRM
CC[C@@H](C(=O)[O-])[C@H](C)CC(=O)Nc1ccccc1Cl	ZINC000000267185	368328184	/nfs/dbraw/zinc/32/81/84/368328184.db2.gz	JWHKFEZKCQDMDJ-NXEZZACHSA-N	-1	0	283.755	3.416	40	0		CGABRM
COc1ccc2c(c1)nc(-c1cccnc1)cc2C(=O)[O-]	ZINC000000355123	368347043	/nfs/dbraw/zinc/34/70/43/368347043.db2.gz	ZMRDQFQVAWPKSD-UHFFFAOYSA-N	-1	0	280.283	3.004	40	0		CGABRM
COc1ccc([C@@H](Cc2ccccc2)C(=O)[O-])cc1OC	ZINC000002042153	368444773	/nfs/dbraw/zinc/44/47/73/368444773.db2.gz	QLHOKKJGONGTKA-CQSZACIVSA-N	-1	0	286.327	3.115	40	0		CGABRM
C[C@](O)(C1=CCCCC1)[C@@H](C(=O)[O-])c1ccccc1	ZINC000001746959	368436801	/nfs/dbraw/zinc/43/68/01/368436801.db2.gz	GNCCBBXFPCKCJY-ZBFHGGJFSA-N	-1	0	260.333	3.106	40	0		CGABRM
Cc1cccc(O[C@H](C)C(=O)Nc2ccc(C(=O)[O-])cc2)c1	ZINC000013166726	368646645	/nfs/dbraw/zinc/64/66/45/368646645.db2.gz	GDNOEVUZFCNHIS-GFCCVEGCSA-N	-1	0	299.326	3.099	40	0		CGABRM
Cc1ccc2nc(-c3ccccc3)c(/C=C/C(=O)[O-])n2c1	ZINC000036083275	369007298	/nfs/dbraw/zinc/00/72/98/369007298.db2.gz	JHLXNASAVLIMIY-CSKARUKUSA-N	-1	0	278.311	3.408	40	0		CGABRM
O=C1NC(=O)C(=Cc2cc(Cl)c([O-])c(Cl)c2)S1	ZINC000113834776	370484688	/nfs/dbraw/zinc/48/46/88/370484688.db2.gz	KCANXTVYPGGMCU-XVNBXDOJSA-N	-1	0	290.127	3.023	40	0		CGABRM
CC[C@H](Sc1n[nH]c(-c2ccc(Cl)cc2)n1)C(=O)[O-]	ZINC000224975989	376290500	/nfs/dbraw/zinc/29/05/00/376290500.db2.gz	DVDAZKGIFMLSFM-VIFPVBQESA-N	-1	0	297.767	3.080	40	0		CGABRM
CC[C@H](C(=O)[O-])N(C)c1cccc(Cl)c1Cl	ZINC000224993605	376292268	/nfs/dbraw/zinc/29/22/68/376292268.db2.gz	RMTDXHYEDTVPLU-MRVPVSSYSA-N	-1	0	262.136	3.293	40	0		CGABRM
COc1ccccc1O[C@H](Cc1ccc(C)cc1)C(=O)[O-]	ZINC000225020586	376293167	/nfs/dbraw/zinc/29/31/67/376293167.db2.gz	MMALMHPYKLPYQG-MRXNPFEDSA-N	-1	0	286.327	3.078	40	0		CGABRM
Cc1c(Cl)cccc1C[C@H](OCC(C)C)C(=O)[O-]	ZINC000225072790	376293857	/nfs/dbraw/zinc/29/38/57/376293857.db2.gz	RDUKIKWENRNLGF-ZDUSSCGKSA-N	-1	0	270.756	3.317	40	0		CGABRM
O=C([O-])c1cc(-c2ccc3c4c(cccc42)CC3)[nH]n1	ZINC000006849524	304219311	/nfs/dbraw/zinc/21/93/11/304219311.db2.gz	JNJKBXMUWOMWQE-UHFFFAOYSA-N	-1	0	264.284	3.027	40	0		CGABRM
C[C@@H]1CCCCN1C(=O)C[C@@H](CC(=O)[O-])c1ccccc1	ZINC000217798476	296308441	/nfs/dbraw/zinc/30/84/41/296308441.db2.gz	XIQNVGUALWSPTA-HIFRSBDPSA-N	-1	0	289.375	3.036	40	0		CGABRM
O=C([O-])c1cccn1-c1ccc(C(F)(F)F)cc1	ZINC000034558034	304271827	/nfs/dbraw/zinc/27/18/27/304271827.db2.gz	GYAGNXIQWMFHSD-UHFFFAOYSA-N	-1	0	255.195	3.194	40	0		CGABRM
O=C([O-])CCC(=O)Nc1ccc(COc2ccccc2)cc1	ZINC000001332314	169695412	/nfs/dbraw/zinc/69/54/12/169695412.db2.gz	LAVILSYVYZHDRN-UHFFFAOYSA-N	-1	0	299.326	3.069	40	0		CGABRM
O=C([O-])c1sc(Cl)c(Cl)c1OC(F)F	ZINC000096511027	392257773	/nfs/dbraw/zinc/25/77/73/392257773.db2.gz	RCAZEJXVNUKOIX-UHFFFAOYSA-N	-1	0	263.048	3.355	40	0		CGABRM
O=C([O-])CSc1nc2cc(C(F)(F)F)ccc2s1	ZINC000006528332	170210976	/nfs/dbraw/zinc/21/09/76/170210976.db2.gz	RKNPHKJZCGSKSQ-UHFFFAOYSA-N	-1	0	293.291	3.492	40	0		CGABRM
CCC[C@H](Nc1cccc(Br)c1)C(=O)[O-]	ZINC000008702802	170347536	/nfs/dbraw/zinc/34/75/36/170347536.db2.gz	AYNDVJGQAQYBNZ-JTQLQIEISA-N	-1	0	272.142	3.114	40	0		CGABRM
COc1c(Br)cc(Cl)cc1/C=C/C(=O)[O-]	ZINC000011948385	170460628	/nfs/dbraw/zinc/46/06/28/170460628.db2.gz	ZKVCEKXIVHQTGC-NSCUHMNNSA-N	-1	0	291.528	3.209	40	0		CGABRM
CCCCC(=O)Nc1cc(C(=O)[O-])cc(Cl)c1OC	ZINC000020136566	171023930	/nfs/dbraw/zinc/02/39/30/171023930.db2.gz	LBALCMRILHSSIQ-UHFFFAOYSA-N	-1	0	285.727	3.176	40	0		CGABRM
Nc1ccc(OCc2ccc(Cl)cc2)c(C(=O)[O-])c1	ZINC000037289691	173094376	/nfs/dbraw/zinc/09/43/76/173094376.db2.gz	HJJOETWESNIXDE-UHFFFAOYSA-N	-1	0	277.707	3.199	40	0		CGABRM
COc1ccc(C)cc1Nc1ccc(N)cc1C(=O)[O-]	ZINC000037930406	173868563	/nfs/dbraw/zinc/86/85/63/173868563.db2.gz	NYZMUGKHQIHCAB-UHFFFAOYSA-N	-1	0	272.304	3.028	40	0		CGABRM
CC(C)=C1[C@@H]2CC[C@H]1[C@@H](C(=O)[O-])[C@@H]2C(=O)Nc1ccccc1	ZINC000017024785	278656924	/nfs/dbraw/zinc/65/69/24/278656924.db2.gz	KTQBFBSUNUMGLO-SJXGUFTOSA-N	-1	0	299.370	3.318	40	0		CGABRM
Cc1cc(C(=O)[O-])ccc1NC(=S)NC1CCCCC1	ZINC000216927445	301155484	/nfs/dbraw/zinc/15/54/84/301155484.db2.gz	FCJZMSRAGQMYFW-UHFFFAOYSA-N	-1	0	292.404	3.312	40	0		CGABRM
Cc1ccccc1N1N=C(C(=O)[O-])C[C@@H]1c1ccccc1	ZINC000071978948	302104806	/nfs/dbraw/zinc/10/48/06/302104806.db2.gz	GPBPDARHAOTWJG-MRXNPFEDSA-N	-1	0	280.327	3.387	40	0		CGABRM
CCOc1ccc(-c2nc(C)sc2CC(=O)[O-])cc1C	ZINC000085397425	179049711	/nfs/dbraw/zinc/04/97/11/179049711.db2.gz	FFJKVDBFESEOFH-UHFFFAOYSA-N	-1	0	291.372	3.453	40	0		CGABRM
O=C([O-])c1nc(-c2cn(C3CCCC3)cn2)n2ccccc12	ZINC000110066243	186283860	/nfs/dbraw/zinc/28/38/60/186283860.db2.gz	BDFXRZUTEAWQKL-UHFFFAOYSA-N	-1	0	296.330	3.011	40	0		CGABRM
O=C([O-])C1=N[C@@H](c2ccccc2)c2cc(Cl)ccc2N1	ZINC000085224797	304036570	/nfs/dbraw/zinc/03/65/70/304036570.db2.gz	QECBNIFGTIYTMP-ZDUSSCGKSA-N	-1	0	286.718	3.147	40	0		CGABRM
COc1ccc(C(=O)[O-])cc1SC1CCCC1	ZINC000166797276	188639887	/nfs/dbraw/zinc/63/98/87/188639887.db2.gz	CCEVWVLRVVSNCZ-UHFFFAOYSA-N	-1	0	252.335	3.428	40	0		CGABRM
O=C([O-])CCO[C@H](c1ccc(Cl)cc1)C(F)(F)F	ZINC000095096471	304057337	/nfs/dbraw/zinc/05/73/37/304057337.db2.gz	UKSQECPINMKEQJ-SNVBAGLBSA-N	-1	0	282.645	3.435	40	0		CGABRM
O=C([O-])CO[C@@H](c1c(F)cccc1Cl)C(F)(F)F	ZINC000095096445	304070522	/nfs/dbraw/zinc/07/05/22/304070522.db2.gz	OFGRJGBINDFURG-VIFPVBQESA-N	-1	0	286.608	3.184	40	0		CGABRM
COc1ccccc1O[C@@H](Cc1cccc(C)c1)C(=O)[O-]	ZINC000225018152	189743546	/nfs/dbraw/zinc/74/35/46/189743546.db2.gz	BFRSVHSSPSTLLD-INIZCTEOSA-N	-1	0	286.327	3.078	40	0		CGABRM
CCCCO[C@@H](Cc1ccccc1CC)C(=O)[O-]	ZINC000225041804	189743556	/nfs/dbraw/zinc/74/35/56/189743556.db2.gz	FFWFDKGTWWLDGZ-AWEZNQCLSA-N	-1	0	250.338	3.061	40	0		CGABRM
Cc1ccc(O[C@@H](Cc2ccccc2C)C(=O)[O-])cc1	ZINC000225014837	189743616	/nfs/dbraw/zinc/74/36/16/189743616.db2.gz	ZLVPAKVTRXAHFC-INIZCTEOSA-N	-1	0	270.328	3.378	40	0		CGABRM
CCO[C@H](Cc1ccc(Cl)c(Cl)c1)C(=O)[O-]	ZINC000225089534	189744136	/nfs/dbraw/zinc/74/41/36/189744136.db2.gz	KUYRHTDIBVRQEV-SNVBAGLBSA-N	-1	0	263.120	3.026	40	0		CGABRM
CSc1nc(Nc2ccccc2Cl)cc(C(=O)[O-])n1	ZINC000001676614	368429902	/nfs/dbraw/zinc/42/99/02/368429902.db2.gz	HYMMYBCJIZLOHC-UHFFFAOYSA-N	-1	0	295.751	3.294	40	0		CGABRM
COc1ccc(/C(=C/c2ccccc2)C(=O)[O-])cc1	ZINC000001685707	368431444	/nfs/dbraw/zinc/43/14/44/368431444.db2.gz	IXCMHNHRDGRKDS-PTNGSMBKSA-N	-1	0	254.285	3.320	40	0		CGABRM
O=C([O-])CCCCCCCCCC[C@@H]1CC[C@@H](O)[C@H]1O	ZINC000001684830	368431598	/nfs/dbraw/zinc/43/15/98/368431598.db2.gz	NHWAOBNJSBDJAL-FMKPAKJESA-N	-1	0	286.412	3.104	40	0	in-vitro	CGABRM
O=C([O-])CCC(=O)CCC(=O)c1ccc2ccccc2c1	ZINC000001703952	368432949	/nfs/dbraw/zinc/43/29/49/368432949.db2.gz	DYCJYDMZSMZGKV-UHFFFAOYSA-N	-1	0	284.311	3.237	40	0		CGABRM
COc1ccc(C(=O)[O-])cc1OCc1ccc(C)cc1	ZINC000011827260	368596660	/nfs/dbraw/zinc/59/66/60/368596660.db2.gz	VMGFVWRRXMXJOK-UHFFFAOYSA-N	-1	0	272.300	3.281	40	0		CGABRM
O=C([O-])[C@H](CCOc1ccccc1)c1ccccc1	ZINC000012357220	368609390	/nfs/dbraw/zinc/60/93/90/368609390.db2.gz	FYVMNLAPQHTGCG-OAHLLOKOSA-N	-1	0	256.301	3.324	40	0		CGABRM
O=C([O-])/C=C/c1c[nH]c2cc(Br)ccc12	ZINC000013379656	368651700	/nfs/dbraw/zinc/65/17/00/368651700.db2.gz	NUNQCVSBJJKCRS-DAFODLJHSA-N	-1	0	266.094	3.028	40	0		CGABRM
O=C([O-])/C=C\C(=O)Nc1cc(Cl)c(Cl)cc1Cl	ZINC000016953457	368723903	/nfs/dbraw/zinc/72/39/03/368723903.db2.gz	DSSMWFQGSGULFH-UPHRSURJSA-N	-1	0	294.521	3.226	40	0		CGABRM
CC(=O)c1c(C)nc([N-]c2nc(C)c(C)s2)nc1C	ZINC000014607525	368683103	/nfs/dbraw/zinc/68/31/03/368683103.db2.gz	QPCFEYKUYJJCLW-UHFFFAOYSA-N	-1	0	276.365	3.113	40	0		CGABRM
CCOc1ccc(C(=O)[O-])cc1COc1ccccc1	ZINC000024548550	368832243	/nfs/dbraw/zinc/83/22/43/368832243.db2.gz	RBDFRETXJZNTMQ-UHFFFAOYSA-N	-1	0	272.300	3.363	40	0		CGABRM
CC(=O)C1=C([O-])c2ccccc2C[C@@H]1c1ccccc1	ZINC000024717839	368834554	/nfs/dbraw/zinc/83/45/54/368834554.db2.gz	WQZRBTLIEQUHRL-SJORKVTESA-N	-1	0	264.324	3.414	40	0		CGABRM
CC[C@@H](C(=O)[O-])n1c2ccccc2nc1CC(C)C	ZINC000033757011	368968425	/nfs/dbraw/zinc/96/84/25/368968425.db2.gz	MUPPTNNOQISPSO-LBPRGKRZSA-N	-1	0	260.337	3.271	40	0		CGABRM
Cc1nn(-c2cc(Cl)ccc2C)c(C)c1CC(=O)[O-]	ZINC000057575889	369542381	/nfs/dbraw/zinc/54/23/81/369542381.db2.gz	SPVAHPZOPWUNAV-UHFFFAOYSA-N	-1	0	278.739	3.078	40	0		CGABRM
O=C([O-])[C@H]1CCC[C@H]1C(=O)c1ccc(Br)cc1	ZINC000011919440	304190374	/nfs/dbraw/zinc/19/03/74/304190374.db2.gz	BVTWSRUFFHBCHO-MNOVXSKESA-N	-1	0	297.148	3.133	40	0		CGABRM
Cc1ccc(Oc2cc(F)ccc2OCC(=O)[O-])cc1	ZINC000257214168	190013488	/nfs/dbraw/zinc/01/34/88/190013488.db2.gz	CKWMRTQYAYUJCL-UHFFFAOYSA-N	-1	0	276.263	3.390	40	0		CGABRM
CCCN(c1cccc(Cl)c1C)[C@@H](C)C(=O)[O-]	ZINC000224991516	376290076	/nfs/dbraw/zinc/29/00/76/376290076.db2.gz	LYKPUYREZPUKEI-JTQLQIEISA-N	-1	0	255.745	3.338	40	0		CGABRM
COc1cccc(C[C@@H](Oc2ccccc2C)C(=O)[O-])c1	ZINC000225098672	376295656	/nfs/dbraw/zinc/29/56/56/376295656.db2.gz	QHMMNIPDPCIGLP-MRXNPFEDSA-N	-1	0	286.327	3.078	40	0		CGABRM
COc1cc2c(cc1Cl)nccc2SCC(=O)[O-]	ZINC000064874606	256720242	/nfs/dbraw/zinc/72/02/42/256720242.db2.gz	ROIIUWQWAANSBV-UHFFFAOYSA-N	-1	0	283.736	3.074	40	0		CGABRM
CSc1cc(OCC(F)(F)F)c(C(=O)[O-])s1	ZINC000096510930	392257395	/nfs/dbraw/zinc/25/73/95/392257395.db2.gz	RRIQNXDZNVDHOH-UHFFFAOYSA-N	-1	0	272.269	3.109	40	0		CGABRM
O=C([O-])c1cc(Cl)nc(OCc2ccccc2)c1	ZINC000002525012	169801994	/nfs/dbraw/zinc/80/19/94/169801994.db2.gz	KMMINKCWBOCELM-UHFFFAOYSA-N	-1	0	263.680	3.012	40	0		CGABRM
C[C@@]1(C(=O)[O-])CCC[C@]2(C)c3ccc(O)cc3CC[C@@H]12	ZINC000004742592	170009853	/nfs/dbraw/zinc/00/98/53/170009853.db2.gz	DWHTYLMRWXUGJL-DJIMGWMZSA-N	-1	0	274.360	3.487	40	0	biogenic	CGABRM
O=C([O-])CCNC(=O)N(c1ccccc1)c1ccccc1	ZINC000006240563	170184811	/nfs/dbraw/zinc/18/48/11/170184811.db2.gz	RMEYXRXLCRGTKN-UHFFFAOYSA-N	-1	0	284.315	3.009	40	0		CGABRM
COc1ccc(C(=O)[O-])cc1NC(=O)c1ccc(C)c(C)c1	ZINC000020138751	171026080	/nfs/dbraw/zinc/02/60/80/171026080.db2.gz	XCCNFKQYZKNRNG-UHFFFAOYSA-N	-1	0	299.326	3.263	40	0		CGABRM
CCc1c(=O)c2cc(OC)ccc2[n-]c1C(F)F	ZINC000685938680	544109943	/nfs/dbraw/zinc/10/99/43/544109943.db2.gz	ZJGVYVQPGXDDSK-UHFFFAOYSA-N	-1	0	253.248	3.037	40	0		CGABRM
O=C([O-])/C=C/c1cc(Cl)cc(Br)c1	ZINC000083324709	260302908	/nfs/dbraw/zinc/30/29/08/260302908.db2.gz	XURPZVOWFXSPGJ-OWOJBTEDSA-N	-1	0	261.502	3.200	40	0		CGABRM
COc1ccc2cc(Br)ccc2c1C(=O)[O-]	ZINC000008494206	295278574	/nfs/dbraw/zinc/27/85/74/295278574.db2.gz	FZSZKSRGYGMTAB-UHFFFAOYSA-N	-1	0	281.105	3.309	40	0		CGABRM
C[C@@]1(C(=O)[O-])CC12c1ccccc1-c1ccccc12	ZINC000005004780	297875235	/nfs/dbraw/zinc/87/52/35/297875235.db2.gz	PHQFNGVEURDSTJ-INIZCTEOSA-N	-1	0	250.297	3.448	40	0		CGABRM
Cc1cc(C)c2ncc(C(=O)[O-])c(Br)c2c1	ZINC000085386631	301213957	/nfs/dbraw/zinc/21/39/57/301213957.db2.gz	DLFVQWSMSHLZGW-UHFFFAOYSA-N	-1	0	280.121	3.312	40	0		CGABRM
Cc1cc(OCc2ncc(C(=O)[O-])cn2)cc(C)c1Cl	ZINC000058042436	301378024	/nfs/dbraw/zinc/37/80/24/301378024.db2.gz	NFNIGVQTFZBIPM-UHFFFAOYSA-N	-1	0	292.722	3.024	40	0		CGABRM
Cc1ccc(-c2nc3ccc([O-])cc3c(=O)o2)cc1C	ZINC000006721364	301469571	/nfs/dbraw/zinc/46/95/71/301469571.db2.gz	LSXADGAJSGQHAF-UHFFFAOYSA-N	-1	0	267.284	3.177	40	0		CGABRM
Cc1cccc(OC(=O)Nc2ccc(C(=O)[O-])c(O)c2)c1	ZINC000001745637	500984678	/nfs/dbraw/zinc/98/46/78/500984678.db2.gz	AXSGPDYRNLRUFL-UHFFFAOYSA-N	-1	0	287.271	3.010	40	0		CGABRM
Nc1ccccc1[C@H]1C(=O)c2sccc2[N-]C1=S	ZINC000095913262	640816692	/nfs/dbraw/zinc/81/66/92/640816692.db2.gz	AQAXJOGTIUTHSX-JTQLQIEISA-N	-1	0	274.370	3.050	40	0		CGABRM
CCCc1nc(SC(=Cc2cccs2)C(=O)[O-])n[nH]1	ZINC000213377997	346287435	/nfs/dbraw/zinc/28/74/35/346287435.db2.gz	DIKOPATXLFSEOI-CLFYSBASSA-N	-1	0	295.389	3.037	40	0		CGABRM
O=C([O-])Cc1c(F)c(Cl)ccc1C(F)(F)F	ZINC000002574962	304087791	/nfs/dbraw/zinc/08/77/91/304087791.db2.gz	HXBHODMXTYGKEO-UHFFFAOYSA-N	-1	0	256.582	3.125	40	0		CGABRM
O=C([O-])[C@@H]1CC(=O)c2ccccc2[C@@H]1c1ccccc1	ZINC000001684899	304098218	/nfs/dbraw/zinc/09/82/18/304098218.db2.gz	HUJDTNIBEIYHJK-ZBFHGGJFSA-N	-1	0	266.296	3.106	40	0		CGABRM
COc1ccccc1C[C@@H](Oc1ccc(C)cc1)C(=O)[O-]	ZINC000225096174	189744117	/nfs/dbraw/zinc/74/41/17/189744117.db2.gz	MSKKHRBAPJKKAH-MRXNPFEDSA-N	-1	0	286.327	3.078	40	0		CGABRM
COc1ccccc1CNc1cccc(C(=O)[O-])c1	ZINC000000575173	368388857	/nfs/dbraw/zinc/38/88/57/368388857.db2.gz	VFICPJVNLGIWNP-UHFFFAOYSA-N	-1	0	257.289	3.006	40	0		CGABRM
Cc1ccc([C@@H](C)NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])cc1	ZINC000001456705	368415227	/nfs/dbraw/zinc/41/52/27/368415227.db2.gz	ZIQIDYFQNGVITO-YUELXQCFSA-N	-1	0	289.375	3.063	40	0		CGABRM
O=C([O-])[C@]1(CCCCCc2ccc(Cl)cc2)CO1	ZINC000001853733	368440213	/nfs/dbraw/zinc/44/02/13/368440213.db2.gz	ACZKTJZXXSHIGF-AWEZNQCLSA-N	-1	0	268.740	3.297	40	0	in-man	CGABRM
Cc1cc(C)cc(NC(=O)COc2cccc(C(=O)[O-])c2)c1	ZINC000013079985	368642356	/nfs/dbraw/zinc/64/23/56/368642356.db2.gz	OKFWWFRMNLSSDQ-UHFFFAOYSA-N	-1	0	299.326	3.019	40	0		CGABRM
Cc1cc(C(=O)[C@H]2CCCC[C@H]2C(=O)[O-])ccc1F	ZINC000015441555	368695444	/nfs/dbraw/zinc/69/54/44/368695444.db2.gz	RRKJMWGZHIGPLO-NWDGAFQWSA-N	-1	0	264.296	3.208	40	0		CGABRM
Cc1ccc(C(=O)N2CCCc3cc(C(=O)[O-])ccc32)cc1	ZINC000034776355	368978097	/nfs/dbraw/zinc/97/80/97/368978097.db2.gz	KEHVYAUHCISYBA-UHFFFAOYSA-N	-1	0	295.338	3.286	40	0		CGABRM
Nc1cc(C(=O)[O-])ccc1Nc1ccc(Cl)cc1	ZINC000037930499	369126419	/nfs/dbraw/zinc/12/64/19/369126419.db2.gz	SIKBCITXLBGIDS-UHFFFAOYSA-N	-1	0	262.696	3.364	40	0		CGABRM
COc1ccc(Nc2ccc(C(=O)[O-])cc2N)cc1Cl	ZINC000037930277	369126517	/nfs/dbraw/zinc/12/65/17/369126517.db2.gz	FKSWYBVPYQNZFM-UHFFFAOYSA-N	-1	0	292.722	3.373	40	0		CGABRM
Cc1[nH]c(-c2ccc(C(F)(F)F)cc2)nc1C(=O)[O-]	ZINC000061627406	369604509	/nfs/dbraw/zinc/60/45/09/369604509.db2.gz	UWGVHVMPUHRUNY-UHFFFAOYSA-N	-1	0	270.210	3.102	40	0		CGABRM
CCc1[n-]n2c(nc(CC)cc2=O)c1-c1ccc(F)cc1	ZINC000100163397	370272647	/nfs/dbraw/zinc/27/26/47/370272647.db2.gz	AFVHRUHFHLDFBE-UHFFFAOYSA-N	-1	0	285.322	3.366	40	0		CGABRM
Cc1nn(CC(C)C)cc1NCc1ccccc1C(=O)[O-]	ZINC000256052250	190004547	/nfs/dbraw/zinc/00/45/47/190004547.db2.gz	MOBPGMLWCKCUBV-UHFFFAOYSA-N	-1	0	287.363	3.158	40	0		CGABRM
COCCCc1cc(=O)[nH]c(-c2ccc(Cl)cc2)n1	ZINC000217788945	376180229	/nfs/dbraw/zinc/18/02/29/376180229.db2.gz	VZTQQNFASIHJEM-UHFFFAOYSA-N	-1	0	278.739	3.082	40	0		CGABRM
Cc1ccc2c(c1)C(C)=CC(C)(C)N2[C@@H](C)C(=O)[O-]	ZINC000223190375	376247737	/nfs/dbraw/zinc/24/77/37/376247737.db2.gz	XAANQMAWJXJCIC-LBPRGKRZSA-N	-1	0	259.349	3.470	40	0		CGABRM
COc1ccc2c(c1)N([C@@H](C)C(=O)[O-])C(C)(C)C=C2C	ZINC000223190737	376248499	/nfs/dbraw/zinc/24/84/99/376248499.db2.gz	OPISBARIXNTPBA-NSHDSACASA-N	-1	0	275.348	3.170	40	0		CGABRM
Cc1ccccc1C[C@@H](OCc1ccccc1)C(=O)[O-]	ZINC000225016885	376291775	/nfs/dbraw/zinc/29/17/75/376291775.db2.gz	QSIRXVWTUACVBY-MRXNPFEDSA-N	-1	0	270.328	3.208	40	0		CGABRM
COc1cc(Cl)c(OCC(C)C)c(C(=O)[O-])c1	ZINC000225279987	376300142	/nfs/dbraw/zinc/30/01/42/376300142.db2.gz	VOLSDGRWOPVEFH-UHFFFAOYSA-N	-1	0	258.701	3.082	40	0		CGABRM
CCOCCOC(=O)Nc1cc(Cl)cc(Cl)c1[O-]	ZINC000255187302	377740447	/nfs/dbraw/zinc/74/04/47/377740447.db2.gz	CPRUVCSAOWWALA-UHFFFAOYSA-N	-1	0	294.134	3.284	40	0		CGABRM
COc1ccc2c(c1)N([C@H](C)C(=O)[O-])C(C)(C)C[C@H]2C	ZINC000260625015	377808702	/nfs/dbraw/zinc/80/87/02/377808702.db2.gz	XYNSJWSRUUNYOV-GHMZBOCLSA-N	-1	0	277.364	3.261	40	0		CGABRM
CC(=O)C(Cc1ccc(Cl)nc1)=C([O-])c1ccccc1	ZINC000408732657	380023187	/nfs/dbraw/zinc/02/31/87/380023187.db2.gz	TXRXYEUFYHJTPJ-AWEZNQCLSA-N	-1	0	287.746	3.366	40	0		CGABRM
O=C([O-])c1ccc2cccc(OC(F)(F)F)c2c1	ZINC000095611620	304254359	/nfs/dbraw/zinc/25/43/59/304254359.db2.gz	MFUVEWIXBDDSRG-UHFFFAOYSA-N	-1	0	256.179	3.437	40	0		CGABRM
CC(C)C(=O)Nc1ccccc1-c1ccc(C(=O)[O-])o1	ZINC000226351915	130825559	/nfs/dbraw/zinc/82/55/59/130825559.db2.gz	IKCXKOPDHSEHBJ-UHFFFAOYSA-N	-1	0	273.288	3.239	40	0		CGABRM
Cc1cc(C(=O)[O-])cnc1SCc1ccccc1	ZINC000072222404	392201631	/nfs/dbraw/zinc/20/16/31/392201631.db2.gz	VIHCRAAWBFDDKU-UHFFFAOYSA-N	-1	0	259.330	3.381	40	0		CGABRM
CC(C)COc1cc(OC(F)F)c(C(=O)[O-])s1	ZINC000096510876	392257779	/nfs/dbraw/zinc/25/77/79/392257779.db2.gz	LXWJEGYBIVJCFK-UHFFFAOYSA-N	-1	0	266.265	3.083	40	0		CGABRM
CCOc1ccccc1C([O-])=CC(=O)c1ccccc1O	ZINC000113704256	392384450	/nfs/dbraw/zinc/38/44/50/392384450.db2.gz	YOBDHGGZLQMUPY-UHFFFAOYSA-N	-1	0	284.311	3.247	40	0		CGABRM
COc1cc(F)c2c(Cl)c(C(=O)[O-])sc2c1OC	ZINC000228963181	393021194	/nfs/dbraw/zinc/02/11/94/393021194.db2.gz	XQXCROFBAWSNDH-UHFFFAOYSA-N	-1	0	290.699	3.409	40	0		CGABRM
O=C([O-])CC[C@@H](c1ccccc1)C1SCCS1	ZINC000001708807	169746913	/nfs/dbraw/zinc/74/69/13/169746913.db2.gz	IPXGYDCDQWLHCQ-NSHDSACASA-N	-1	0	268.403	3.441	40	0		CGABRM
CCCOc1ccc(C(=O)c2cccs2)c([O-])c1	ZINC000005597557	170117868	/nfs/dbraw/zinc/11/78/68/170117868.db2.gz	ZAWKFVYHGXRMLA-UHFFFAOYSA-N	-1	0	262.330	3.474	40	0		CGABRM
O=C([O-])CCSCc1ccc(Br)cc1	ZINC000006322150	170191430	/nfs/dbraw/zinc/19/14/30/170191430.db2.gz	WXXMLDYAADNICK-UHFFFAOYSA-N	-1	0	275.167	3.157	40	0		CGABRM
O=C([O-])c1ccc(CNc2ccccc2Cl)o1	ZINC000008729668	170350426	/nfs/dbraw/zinc/35/04/26/170350426.db2.gz	ZZHVBMKEMCBUSE-UHFFFAOYSA-N	-1	0	251.669	3.243	40	0		CGABRM
COc1ccc([C@@H](C)Nc2nc(C)c(C(=O)[O-])s2)cc1	ZINC000020156588	171039390	/nfs/dbraw/zinc/03/93/90/171039390.db2.gz	CXRSTASZIHTDPM-MRVPVSSYSA-N	-1	0	292.360	3.331	40	0		CGABRM
CCOc1ccccc1Nc1nc(C)c(C(=O)[O-])s1	ZINC000020156552	171039454	/nfs/dbraw/zinc/03/94/54/171039454.db2.gz	ZMKSGSVLVVEHHQ-UHFFFAOYSA-N	-1	0	278.333	3.292	40	0		CGABRM
Cc1cccc(NC(=O)Nc2ccc(O)c(C(=O)[O-])c2)c1	ZINC000021961639	171342566	/nfs/dbraw/zinc/34/25/66/171342566.db2.gz	KPFVHJDOPBJDQF-UHFFFAOYSA-N	-1	0	286.287	3.043	40	0		CGABRM
COc1cc(/C(C)=C/[C@H](C)CCCC(=O)[O-])oc(=O)c1C	ZINC000036374896	172626507	/nfs/dbraw/zinc/62/65/07/172626507.db2.gz	HXLDSEPZKLJMIQ-MXBGMFSPSA-N	-1	0	294.347	3.251	40	0	biogenic,in-vitro	CGABRM
O=C([O-])c1c[nH]nc1Cc1ccc(Cl)cc1Cl	ZINC000071980919	176307941	/nfs/dbraw/zinc/30/79/41/176307941.db2.gz	PNNDFOPYFBFDQQ-UHFFFAOYSA-N	-1	0	271.103	3.006	40	0		CGABRM
Cc1ccc(-c2nc(N(C)C)sc2CC(=O)[O-])c(C)c1	ZINC000076533059	177034808	/nfs/dbraw/zinc/03/48/08/177034808.db2.gz	YOEWJUCZFGIYJC-UHFFFAOYSA-N	-1	0	290.388	3.120	40	0		CGABRM
COc1ccc(Cl)cc1Cc1ccc(C(=O)[O-])o1	ZINC000084168295	416496547	/nfs/dbraw/zinc/49/65/47/416496547.db2.gz	KJZATOVQHPAYPU-UHFFFAOYSA-N	-1	0	266.680	3.231	40	0		CGABRM
O=C([O-])c1ccccc1C(=O)c1cc(F)cc(Cl)c1	ZINC000095634034	265305280	/nfs/dbraw/zinc/30/52/80/265305280.db2.gz	KJPJMJOFQBMKFS-UHFFFAOYSA-N	-1	0	278.666	3.408	40	0		CGABRM
CC(C)c1ccccc1NC(=O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)[O-]	ZINC000005094708	280642897	/nfs/dbraw/zinc/64/28/97/280642897.db2.gz	IECCRQGEQGKYIK-KNPMLCFXSA-N	-1	0	299.370	3.271	40	0		CGABRM
Cc1ccc2cc(Br)cc(C(=O)[O-])c2n1	ZINC000230457253	301920159	/nfs/dbraw/zinc/92/01/59/301920159.db2.gz	JKUQUNPDGSDYSA-UHFFFAOYSA-N	-1	0	266.094	3.004	40	0		CGABRM
CCN(c1cc(Cl)cc(Cl)c1)[C@@H](C)C(=O)[O-]	ZINC000224995637	535406853	/nfs/dbraw/zinc/40/68/53/535406853.db2.gz	MOHHEXNUTVXVAZ-ZETCQYMHSA-N	-1	0	262.136	3.293	40	0		CGABRM
COc1ccc(-c2cc(C(=O)[O-])c3ccccc3n2)cc1O	ZINC000002576731	169812512	/nfs/dbraw/zinc/81/25/12/169812512.db2.gz	POSNSHLNGZYMJE-UHFFFAOYSA-N	-1	0	295.294	3.314	40	0		CGABRM
COc1ccc2c(c1)c(C(=O)[O-])cn2C(=O)OC(C)(C)C	ZINC000199547898	189683710	/nfs/dbraw/zinc/68/37/10/189683710.db2.gz	OEUJGWBUCLNRIZ-UHFFFAOYSA-N	-1	0	291.303	3.131	40	0		CGABRM
COc1ccc(C[C@@H](Oc2ccc(C)cc2)C(=O)[O-])cc1	ZINC000225101441	189743916	/nfs/dbraw/zinc/74/39/16/189743916.db2.gz	VZDWJPRUPKYLRW-MRXNPFEDSA-N	-1	0	286.327	3.078	40	0		CGABRM
COc1ccccc1C[C@H](Oc1ccccc1C)C(=O)[O-]	ZINC000225096017	189744019	/nfs/dbraw/zinc/74/40/19/189744019.db2.gz	DLBBDSYPMFGLMS-INIZCTEOSA-N	-1	0	286.327	3.078	40	0		CGABRM
Cc1cc(C)c(C[C@H](OCC(C)C)C(=O)[O-])c(C)c1	ZINC000225137996	189744276	/nfs/dbraw/zinc/74/42/76/189744276.db2.gz	CPIIRKSCNOGYRT-HNNXBMFYSA-N	-1	0	264.365	3.280	40	0		CGABRM
COc1ccccc1[C@H](OC)c1ccccc1C(=O)[O-]	ZINC000001577538	368420573	/nfs/dbraw/zinc/42/05/73/368420573.db2.gz	BSZVPIUZRZUMFY-OAHLLOKOSA-N	-1	0	272.300	3.129	40	0		CGABRM
CC(C)(C)OC(=O)N(CCC(=O)[O-])C1CCCCC1	ZINC000005066763	368561522	/nfs/dbraw/zinc/56/15/22/368561522.db2.gz	KEBAVFJYVBXWLG-UHFFFAOYSA-N	-1	0	271.357	3.031	40	0		CGABRM
CCCc1c(C)nc2c(-c3cccs3)c(C)[n-]n2c1=O	ZINC000010338946	368579313	/nfs/dbraw/zinc/57/93/13/368579313.db2.gz	OFOHLWRDNVOKFF-UHFFFAOYSA-N	-1	0	287.388	3.320	40	0		CGABRM
CSc1ccc(C(=O)C[C@H](C)CC(=O)[O-])cc1	ZINC000015441768	368694419	/nfs/dbraw/zinc/69/44/19/368694419.db2.gz	LXLYZUSDVYWANU-VIFPVBQESA-N	-1	0	252.335	3.092	40	0		CGABRM
Cc1ccc(/C=C(\NC(=O)c2cccc(C)c2)C(=O)[O-])cc1	ZINC000026804960	368864881	/nfs/dbraw/zinc/86/48/81/368864881.db2.gz	QVTCCLVWMDKIEG-WJDWOHSUSA-N	-1	0	295.338	3.159	40	0		CGABRM
Cc1ccc(Nc2ccc(N)cc2C(=O)[O-])c(C)c1	ZINC000037930486	369126402	/nfs/dbraw/zinc/12/64/02/369126402.db2.gz	UWCUMVZWUULGQC-UHFFFAOYSA-N	-1	0	256.305	3.327	40	0		CGABRM
CC(C)CCC[C@H]1CC[C@@H](C(=O)[O-])[C@H](C(=O)[O-])C1	ZINC000045071005	369275113	/nfs/dbraw/zinc/27/51/13/369275113.db2.gz	ZVEOVTRRNBJHNK-QJPTWQEYSA-N	-1	0	256.342	3.014	40	0		CGABRM
Cc1cc(C)c(C([O-])=CC(=O)c2cccnc2)c(C)c1	ZINC000100083975	370271583	/nfs/dbraw/zinc/27/15/83/370271583.db2.gz	LVGCWHFIWIHBKH-UHFFFAOYSA-N	-1	0	267.328	3.463	40	0		CGABRM
CCc1c(C)nc2c(-c3cccs3)c(C)[n-]n2c1=O	ZINC000100163343	370272768	/nfs/dbraw/zinc/27/27/68/370272768.db2.gz	UMFJYDCBJLLVKN-UHFFFAOYSA-N	-1	0	273.361	3.343	40	0		CGABRM
CC(C)CO[C@@H](Cc1ccccc1Cl)C(=O)[O-]	ZINC000225057732	376293212	/nfs/dbraw/zinc/29/32/12/376293212.db2.gz	GSSMEMCLRCMQED-LBPRGKRZSA-N	-1	0	256.729	3.008	40	0		CGABRM
CCCCO[C@@H](Cc1cc(C)ccc1C)C(=O)[O-]	ZINC000225029958	376293779	/nfs/dbraw/zinc/29/37/79/376293779.db2.gz	VJVNVNMILYYQBW-AWEZNQCLSA-N	-1	0	250.338	3.116	40	0		CGABRM
CC(C)O[C@H](Cc1cc(Cl)cc(Cl)c1)C(=O)[O-]	ZINC000225092594	376294849	/nfs/dbraw/zinc/29/48/49/376294849.db2.gz	DJSPWYYTWADWPP-LLVKDONJSA-N	-1	0	277.147	3.414	40	0		CGABRM
CCCOc1c(OCC)cc(Cl)cc1C(=O)[O-]	ZINC000225281492	376300113	/nfs/dbraw/zinc/30/01/13/376300113.db2.gz	VYFBRPLCZAGCDC-UHFFFAOYSA-N	-1	0	258.701	3.226	40	0		CGABRM
O=C([O-])[C@H]1C[C@H]1c1ccccc1OCCC(F)(F)F	ZINC000408715877	380021364	/nfs/dbraw/zinc/02/13/64/380021364.db2.gz	GCOWAJMMDDLBLI-UWVGGRQHSA-N	-1	0	274.238	3.206	40	0		CGABRM
CCc1ccccc1NCc1ccccc1OCC(=O)[O-]	ZINC000409110615	380027711	/nfs/dbraw/zinc/02/77/11/380027711.db2.gz	XBQLKBBWLDYVBZ-UHFFFAOYSA-N	-1	0	285.343	3.325	40	0		CGABRM
O=C([O-])c1cnc(-c2ccc(Br)cc2)s1	ZINC000034975463	304275092	/nfs/dbraw/zinc/27/50/92/304275092.db2.gz	CRIHAHBZFADRML-UHFFFAOYSA-N	-1	0	284.134	3.271	40	0		CGABRM
Cc1cc([C@@](O)(C(=O)[O-])c2ccccc2)c(C)c(C)c1C	ZINC000008637698	260032363	/nfs/dbraw/zinc/03/23/63/260032363.db2.gz	FNEPWYOXGJMLMH-GOSISDBHSA-N	-1	0	284.355	3.241	40	0		CGABRM
O=C([O-])c1ncc(-c2ccc(F)c3ccccc23)o1	ZINC000085391299	304283894	/nfs/dbraw/zinc/28/38/94/304283894.db2.gz	KNWPXKGEMZXOTQ-UHFFFAOYSA-N	-1	0	257.220	3.332	40	0		CGABRM
CC(C)(C)OC(=O)N(CCC(=O)[O-])Cc1ccc(F)cc1	ZINC000032176155	391967339	/nfs/dbraw/zinc/96/73/39/391967339.db2.gz	MLXLZAZIWZYOFS-UHFFFAOYSA-N	-1	0	297.326	3.038	40	0		CGABRM
CCc1cccc(C)c1NC(=O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)[O-]	ZINC000005197406	170075515	/nfs/dbraw/zinc/07/55/15/170075515.db2.gz	RSMDIWAAJFIOIB-QPSCCSFWSA-N	-1	0	299.370	3.019	40	0		CGABRM
C[C@H]1C[C@H](NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])CC(C)(C)C1	ZINC000006525748	170210532	/nfs/dbraw/zinc/21/05/32/170210532.db2.gz	LCADKEWTKZOPFD-FQUUOJAGSA-N	-1	0	295.423	3.208	40	0		CGABRM
CCCC(=O)Nc1ccccc1SC(C)(C)C(=O)[O-]	ZINC000008732821	170351593	/nfs/dbraw/zinc/35/15/93/170351593.db2.gz	DRMSXYAKSKVYKF-UHFFFAOYSA-N	-1	0	281.377	3.381	40	0		CGABRM
CC[C@H](Sc1ccccc1NC(=O)C(C)C)C(=O)[O-]	ZINC000008732828	170351717	/nfs/dbraw/zinc/35/17/17/170351717.db2.gz	RURWELPEXGIFPL-NSHDSACASA-N	-1	0	281.377	3.236	40	0		CGABRM
O=C([O-])Cc1ccc(NC(=O)/C=C/c2ccc(F)cc2)cc1	ZINC000013439828	170550211	/nfs/dbraw/zinc/55/02/11/170550211.db2.gz	XWFRMHFVMZIAQT-BJMVGYQFSA-N	-1	0	299.301	3.105	40	0		CGABRM
Cc1cccc(C(=O)Nc2cccc(/C=C/C(=O)[O-])c2)c1	ZINC000049591964	175490766	/nfs/dbraw/zinc/49/07/66/175490766.db2.gz	OBQHTRKFXUAUOA-CMDGGOBGSA-N	-1	0	281.311	3.345	40	0		CGABRM
CCCN(CC(=O)[O-])c1ccc(Cl)cc1Cl	ZINC000076673816	177054991	/nfs/dbraw/zinc/05/49/91/177054991.db2.gz	PAONPHMANMVFKT-UHFFFAOYSA-N	-1	0	262.136	3.294	40	0		CGABRM
CCCN(CC(=O)[O-])c1ccc(Cl)c(Cl)c1	ZINC000076673812	177055206	/nfs/dbraw/zinc/05/52/06/177055206.db2.gz	PBERDCHWZSLKMY-UHFFFAOYSA-N	-1	0	262.136	3.294	40	0		CGABRM
CC(C)Oc1nc2c(Cl)cccc2cc1C(=O)[O-]	ZINC000685937018	544109608	/nfs/dbraw/zinc/10/96/08/544109608.db2.gz	HFPTYUIXRFZVFK-UHFFFAOYSA-N	-1	0	265.696	3.374	40	0		CGABRM
CCOc1ccc2[n-]c(C(F)F)c(CC)c(=O)c2c1	ZINC000685938451	544110171	/nfs/dbraw/zinc/11/01/71/544110171.db2.gz	SMHSAAGSUISHQX-UHFFFAOYSA-N	-1	0	267.275	3.427	40	0		CGABRM
C[C@@H]1CCCC[C@@H]1N(CCC(=O)[O-])C(=O)OC(C)(C)C	ZINC000582468934	418933868	/nfs/dbraw/zinc/93/38/68/418933868.db2.gz	HYFMLESBANFGDH-NEPJUHHUSA-N	-1	0	285.384	3.277	40	0		CGABRM
Cc1cc(F)ccc1C(=O)c1ccccc1C(=O)[O-]	ZINC000095634374	265305684	/nfs/dbraw/zinc/30/56/84/265305684.db2.gz	RGXUAZYRTUDOJP-UHFFFAOYSA-N	-1	0	258.248	3.063	40	0		CGABRM
CC(C)(C)OC(=O)N[C@]1(C)CC[C@@](C)(C(=O)[O-])C1(C)C	ZINC000217721016	278445043	/nfs/dbraw/zinc/44/50/43/278445043.db2.gz	RERDYONOOJBIOP-LSDHHAIUSA-N	-1	0	285.384	3.181	40	0		CGABRM
C[C@]1(C(=O)[O-])CC1(c1ccccc1)c1ccccc1	ZINC000003096026	300775767	/nfs/dbraw/zinc/77/57/67/300775767.db2.gz	ALTJKGMGSJVUBN-MRXNPFEDSA-N	-1	0	252.313	3.467	40	0		CGABRM
Cc1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2C)cc1	ZINC000013391094	301531900	/nfs/dbraw/zinc/53/19/00/301531900.db2.gz	MHXHLCYRYDSADS-UHFFFAOYSA-N	-1	0	269.300	3.254	40	0		CGABRM
Cc1oc(-c2ccc(Br)cc2)nc1C(=O)[O-]	ZINC000041438746	302867345	/nfs/dbraw/zinc/86/73/45/302867345.db2.gz	VMMADLAPLKLPOS-UHFFFAOYSA-N	-1	0	282.093	3.111	40	0		CGABRM
CC(=O)C(=C([O-])c1ccc(C)cc1)C1SCCS1	ZINC000101461147	527138798	/nfs/dbraw/zinc/13/87/98/527138798.db2.gz	SDPPBJRAWRNWKK-GFCCVEGCSA-N	-1	0	280.414	3.189	40	0		CGABRM
O=C([O-])CCc1nc(-c2ccccc2)c2ccccn12	ZINC000083253549	178370085	/nfs/dbraw/zinc/37/00/85/178370085.db2.gz	CEKBJLSNPIPMCT-UHFFFAOYSA-N	-1	0	266.300	3.019	40	0		CGABRM
Cc1c(F)cc(Br)c2nc(C(=O)[O-])ccc12	ZINC000085399912	179051909	/nfs/dbraw/zinc/05/19/09/179051909.db2.gz	BUJVEDZBFHECTO-UHFFFAOYSA-N	-1	0	284.084	3.143	40	0		CGABRM
O=C([O-])CO[C@@H](c1ccccc1Cl)C(F)(F)F	ZINC000095096391	304070374	/nfs/dbraw/zinc/07/03/74/304070374.db2.gz	VZOGDRPXEABZIH-VIFPVBQESA-N	-1	0	268.618	3.045	40	0		CGABRM
O=C([O-])[C@@H](Cc1cccc(Cl)c1)Oc1ccccc1	ZINC000225057912	189744205	/nfs/dbraw/zinc/74/42/05/189744205.db2.gz	ISHSLZGYVNFEGN-CQSZACIVSA-N	-1	0	276.719	3.415	40	0		CGABRM
Cc1cc(C)c(C[C@H](OC(C)C)C(=O)[O-])c(C)c1	ZINC000225137791	189744349	/nfs/dbraw/zinc/74/43/49/189744349.db2.gz	BANYJOIEOPBMBT-AWEZNQCLSA-N	-1	0	250.338	3.033	40	0		CGABRM
COc1ccc(-c2noc(-c3ccccc3C(=O)[O-])n2)cc1	ZINC000000144447	368301294	/nfs/dbraw/zinc/30/12/94/368301294.db2.gz	JQANAMCWIHHBTH-UHFFFAOYSA-N	-1	0	296.282	3.110	40	0		CGABRM
COc1ccc(Br)c(CCCCC(=O)[O-])c1	ZINC000001617835	368423188	/nfs/dbraw/zinc/42/31/88/368423188.db2.gz	ISBGKQVMDQZSCM-UHFFFAOYSA-N	-1	0	287.153	3.255	40	0		CGABRM
O=C(c1ccc(Br)cc1)c1ccccc1[O-]	ZINC000001675346	368430129	/nfs/dbraw/zinc/43/01/29/368430129.db2.gz	UYOKDPDLSMMUJI-UHFFFAOYSA-N	-1	0	277.117	3.386	40	0		CGABRM
C[C@@H]1CC[C@@H]([C@](O)(C(=O)[O-])C2CCCCC2)C[C@@H]1C	ZINC000005047864	368562223	/nfs/dbraw/zinc/56/22/23/368562223.db2.gz	JQCVRXQKGQZFHH-FIRUKDTASA-N	-1	0	268.397	3.455	40	0		CGABRM
O=C(Nc1ccccc1)Nc1c(=O)oc2ccccc2c1[O-]	ZINC000032501638	368932657	/nfs/dbraw/zinc/93/26/57/368932657.db2.gz	PNIAULLZLYZUJZ-UHFFFAOYSA-N	-1	0	296.282	3.143	40	0		CGABRM
CCCCOc1nc2ccccc2c(C(=O)[O-])c1F	ZINC000096171709	370207217	/nfs/dbraw/zinc/20/72/17/370207217.db2.gz	KWWISMXQGPSXSL-UHFFFAOYSA-N	-1	0	263.268	3.251	40	0		CGABRM
O=C([O-])[C@@H]1[C@H]2C=C[C@H](C2)C1(C(F)(F)F)C(F)(F)F	ZINC000005290493	304160072	/nfs/dbraw/zinc/16/00/72/304160072.db2.gz	UAMJAXATTKYUOP-JKUQZMGJSA-N	-1	0	274.160	3.004	40	0		CGABRM
Cc1ccc2c(c1)N([C@@H](C)C(=O)[O-])C(C)(C)C=C2C	ZINC000223190298	376248672	/nfs/dbraw/zinc/24/86/72/376248672.db2.gz	DNQBAVIQXDGZAY-LBPRGKRZSA-N	-1	0	259.349	3.470	40	0		CGABRM
O=C([O-])CCc1nc(-c2ccc(-c3ccccc3)cc2)no1	ZINC000225830514	376328200	/nfs/dbraw/zinc/32/82/00/376328200.db2.gz	KLWXVLNOBRXHQF-UHFFFAOYSA-N	-1	0	294.310	3.421	40	0		CGABRM
CCCCO[C@H](Cc1ccc(Cl)cc1)C(=O)[O-]	ZINC000225062293	376293191	/nfs/dbraw/zinc/29/31/91/376293191.db2.gz	CFHXTKYNUGDDSM-GFCCVEGCSA-N	-1	0	256.729	3.152	40	0		CGABRM
CCCO[C@@H](Cc1ccc(C(C)C)cc1)C(=O)[O-]	ZINC000225047083	376293325	/nfs/dbraw/zinc/29/33/25/376293325.db2.gz	MFNVFBIWJPKSPF-AWEZNQCLSA-N	-1	0	250.338	3.232	40	0		CGABRM
CCCCO[C@@H](Cc1cc(C)cc(C)c1)C(=O)[O-]	ZINC000225038400	376293512	/nfs/dbraw/zinc/29/35/12/376293512.db2.gz	XWVAXPOJNKAQKE-AWEZNQCLSA-N	-1	0	250.338	3.116	40	0		CGABRM
CC(C)CO[C@@H](Cc1cccc(Cl)c1)C(=O)[O-]	ZINC000225060362	376293600	/nfs/dbraw/zinc/29/36/00/376293600.db2.gz	UBTHEJPLSSKSLK-LBPRGKRZSA-N	-1	0	256.729	3.008	40	0		CGABRM
COc1ccc(C[C@@H](OCC(C)C)C(=O)[O-])cc1Cl	ZINC000225124701	376294565	/nfs/dbraw/zinc/29/45/65/376294565.db2.gz	QHFHYFZUWRJDIA-CYBMUJFWSA-N	-1	0	286.755	3.017	40	0		CGABRM
CCO[C@@H](Cc1cccc(Cl)c1Cl)C(=O)[O-]	ZINC000225084149	376295173	/nfs/dbraw/zinc/29/51/73/376295173.db2.gz	YXWADBKKFJYCBG-VIFPVBQESA-N	-1	0	263.120	3.026	40	0		CGABRM
Cc1c(Br)cc(C=O)c([O-])c1Br	ZINC000004290800	391921390	/nfs/dbraw/zinc/92/13/90/391921390.db2.gz	XPWONTZPDIUBII-UHFFFAOYSA-N	-1	0	293.942	3.038	40	0		CGABRM
CC[C@H](Cc1ccc(Br)cc1)C(=O)[O-]	ZINC000037462423	391980353	/nfs/dbraw/zinc/98/03/53/391980353.db2.gz	BVGURJANTDGYGN-SECBINFHSA-N	-1	0	257.127	3.102	40	0		CGABRM
O=C([O-])CCc1ccc(-c2ccc(F)cc2F)o1	ZINC000070452939	392182610	/nfs/dbraw/zinc/18/26/10/392182610.db2.gz	VKAIWLWCZACFDE-UHFFFAOYSA-N	-1	0	252.216	3.242	40	0		CGABRM
CCOc1c(Cl)c(SC)sc1C(=O)[O-]	ZINC000096510996	392257725	/nfs/dbraw/zinc/25/77/25/392257725.db2.gz	DEDKSYRQDPMGQX-UHFFFAOYSA-N	-1	0	252.744	3.220	40	0		CGABRM
COc1cc(OCc2ccc(F)cc2)c(C(=O)[O-])s1	ZINC000096510887	392257894	/nfs/dbraw/zinc/25/78/94/392257894.db2.gz	ZXOJRSDZRUWXSQ-UHFFFAOYSA-N	-1	0	282.292	3.173	40	0		CGABRM
CC(C)(C)OC(=O)N(CCC(=O)[O-])C1CCCCCC1	ZINC000582468946	393204956	/nfs/dbraw/zinc/20/49/56/393204956.db2.gz	QFZPSVVKDQIRSF-UHFFFAOYSA-N	-1	0	285.384	3.421	40	0		CGABRM
Cc1cc([C@](O)(C(=O)[O-])c2ccccc2)c(C)c(C)c1C	ZINC000001710986	169747737	/nfs/dbraw/zinc/74/77/37/169747737.db2.gz	FNEPWYOXGJMLMH-SFHVURJKSA-N	-1	0	284.355	3.241	40	0		CGABRM
COc1ccc(-c2cc(=O)c3ccc([O-])cc3o2)cc1OC	ZINC000005640361	170123074	/nfs/dbraw/zinc/12/30/74/170123074.db2.gz	MEDOAKSPIIOKFU-UHFFFAOYSA-N	-1	0	298.294	3.183	40	0	biogenic	CGABRM
C[C@](C(=O)[O-])(C1CCCCC1)C1(O)CCCCC1	ZINC000006442025	170201853	/nfs/dbraw/zinc/20/18/53/170201853.db2.gz	FHOXQGCVIIROOT-CQSZACIVSA-N	-1	0	254.370	3.353	40	0		CGABRM
CC(C)(C)OC(=O)N[C@@H](CC(=O)[O-])CC1CCCCC1	ZINC000008700937	170346544	/nfs/dbraw/zinc/34/65/44/170346544.db2.gz	FIBAFRJLUXGPPW-GFCCVEGCSA-N	-1	0	285.384	3.325	40	0		CGABRM
Cc1cc(C(=O)[O-])nn1-c1ccc(C(C)(C)C)cc1	ZINC000008700444	170346563	/nfs/dbraw/zinc/34/65/63/170346563.db2.gz	VYTZGSGRJLESGH-UHFFFAOYSA-N	-1	0	258.321	3.176	40	0		CGABRM
CC[C@H](Sc1nnc(-c2ccc(Cl)cc2)o1)C(=O)[O-]	ZINC000008731411	170351118	/nfs/dbraw/zinc/35/11/18/170351118.db2.gz	HEYVZMSKTNPXNI-VIFPVBQESA-N	-1	0	298.751	3.345	40	0		CGABRM
Cc1ccc(C(=O)[O-])cc1NC(=O)/C=C/c1ccccc1	ZINC000008906310	170358556	/nfs/dbraw/zinc/35/85/56/170358556.db2.gz	BQRRFLSMVJIMMV-CSKARUKUSA-N	-1	0	281.311	3.345	40	0		CGABRM
CCOC(=O)C=C([O-])c1c(Cl)cccc1Cl	ZINC000021986618	171345691	/nfs/dbraw/zinc/34/56/91/171345691.db2.gz	GJUHMKHPXHMWQI-UHFFFAOYSA-N	-1	0	261.104	3.129	40	0		CGABRM
CCOC(=O)c1[n-]c2cccc(Cl)c2c(=O)c1Cl	ZINC000685937094	544109543	/nfs/dbraw/zinc/10/95/43/544109543.db2.gz	KIEBOFSESOGLGM-UHFFFAOYSA-N	-1	0	286.114	3.012	40	0		CGABRM
Cc1cccc2c1ncc(OCC1CC1)c2C(=O)[O-]	ZINC000685937390	544109592	/nfs/dbraw/zinc/10/95/92/544109592.db2.gz	OJJJJJKANQTACO-UHFFFAOYSA-N	-1	0	257.289	3.030	40	0		CGABRM
Cc1c(Cl)cc(Cl)c([O-])c1C1(C)OCCO1	ZINC000001707824	280229780	/nfs/dbraw/zinc/22/97/80/280229780.db2.gz	LOBIXXSMBAJOFM-UHFFFAOYSA-N	-1	0	263.120	3.227	40	0		CGABRM
CC[C@](O)(Cc1ccccc1)[C@@H](C(=O)[O-])c1ccccc1	ZINC000001622378	288425136	/nfs/dbraw/zinc/42/51/36/288425136.db2.gz	UTGZKPJELAPNMP-AEFFLSMTSA-N	-1	0	284.355	3.239	40	0		CGABRM
Cc1ccc([C@@H]2C[C@]23C(=O)Nc2ccc(C(=O)[O-])cc23)cc1	ZINC000217477876	301763591	/nfs/dbraw/zinc/76/35/91/301763591.db2.gz	UTZMVLOFPLAMAF-KBXCAEBGSA-N	-1	0	293.322	3.071	40	0		CGABRM
Cc1ccc([C@H]2C[C@]23C(=O)Nc2ccc(C(=O)[O-])cc23)cc1	ZINC000217477956	301840088	/nfs/dbraw/zinc/84/00/88/301840088.db2.gz	UTZMVLOFPLAMAF-RDTXWAMCSA-N	-1	0	293.322	3.071	40	0		CGABRM
Cc1cccc(Nc2ccc(N)cc2C(=O)[O-])c1C	ZINC000037930631	302005365	/nfs/dbraw/zinc/00/53/65/302005365.db2.gz	MLGZAXJPHQVYHC-UHFFFAOYSA-N	-1	0	256.305	3.327	40	0		CGABRM
Cc1nc2c(-c3ccccc3)c[n-]n2c(=O)c1Cl	ZINC000239038382	302646591	/nfs/dbraw/zinc/64/65/91/302646591.db2.gz	DBHIUOPPPODTKZ-UHFFFAOYSA-N	-1	0	259.696	3.064	40	0		CGABRM
CC(NC(=O)OC(C)(C)C)=C1CCC(C(=O)[O-])CC1	ZINC001560407585	938257281	/nfs/dbraw/zinc/25/72/81/938257281.db2.gz	UKLQQHWYUZLISM-UHFFFAOYSA-N	-1	0	268.333	3.018	40	0		CGABRM
O=C([O-])c1cc(C(F)(F)F)ccc1OC(F)(F)F	ZINC000095611625	185016229	/nfs/dbraw/zinc/01/62/29/185016229.db2.gz	JUUIBQABQPZLIL-UHFFFAOYSA-N	-1	0	274.116	3.302	40	0		CGABRM
Cc1c(C(=O)[O-])c(C(F)(F)F)nn1Cc1cccs1	ZINC000044831532	345017200	/nfs/dbraw/zinc/01/72/00/345017200.db2.gz	GLCZSMRZLYJXLC-UHFFFAOYSA-N	-1	0	290.266	3.018	40	0		CGABRM
Cc1cc(Br)c2cc(C(=O)[O-])ccc2n1	ZINC000085386561	301069364	/nfs/dbraw/zinc/06/93/64/301069364.db2.gz	OMNOIWFMTPLMLU-UHFFFAOYSA-N	-1	0	266.094	3.004	40	0		CGABRM
CC(=O)c1ccc(OCc2ccccc2F)c(C(=O)[O-])c1	ZINC000085397463	179050181	/nfs/dbraw/zinc/05/01/81/179050181.db2.gz	OIDZGUWLIDBSJF-UHFFFAOYSA-N	-1	0	288.274	3.306	40	0		CGABRM
CCc1c(C)nc2c(-c3ccc(F)cc3)c(C)[n-]n2c1=O	ZINC000100163317	185707268	/nfs/dbraw/zinc/70/72/68/185707268.db2.gz	MOENOMTVMHNLGT-UHFFFAOYSA-N	-1	0	285.322	3.420	40	0		CGABRM
O=C([O-])CC[C@H]1Nc2ccccc2N(c2ccccc2)C1=O	ZINC000012399110	304063712	/nfs/dbraw/zinc/06/37/12/304063712.db2.gz	XVJWDNJKQOMFJP-CQSZACIVSA-N	-1	0	296.326	3.010	40	0		CGABRM
CCCCO[C@H](Cc1cc(Cl)ccc1C)C(=O)[O-]	ZINC000225078836	189743868	/nfs/dbraw/zinc/74/38/68/189743868.db2.gz	PRSDGDSUCZPBHQ-CYBMUJFWSA-N	-1	0	270.756	3.461	40	0		CGABRM
O=C([O-])/C=C/c1ccc(C(F)(F)F)cc1Cl	ZINC000000165765	368307358	/nfs/dbraw/zinc/30/73/58/368307358.db2.gz	JFWJREWRGOKGII-DUXPYHPUSA-N	-1	0	250.603	3.457	40	0		CGABRM
Cc1cn(C(=O)/C(Cl)=C(/Cl)C(=O)[O-])c2ccccc12	ZINC000001670635	368429015	/nfs/dbraw/zinc/42/90/15/368429015.db2.gz	FYCVVISFXOWEEQ-KHPPLWFESA-N	-1	0	298.125	3.364	40	0		CGABRM
O=S(=O)([O-])/C(=C/c1ccccc1)c1ccccc1	ZINC000001721868	368435416	/nfs/dbraw/zinc/43/54/16/368435416.db2.gz	HBNWPGJWKUCGGD-SDNWHVSQSA-N	-1	0	260.314	3.073	40	0	in-vitro	CGABRM
O=C([O-])c1cnc(OCc2ccccc2)c(Cl)c1	ZINC000001722121	368435763	/nfs/dbraw/zinc/43/57/63/368435763.db2.gz	WPBBYAMQPOSKRT-UHFFFAOYSA-N	-1	0	263.680	3.012	40	0		CGABRM
O=C([O-])COc1ccc([C@H]2CCc3ccccc32)cc1	ZINC000001733361	368436281	/nfs/dbraw/zinc/43/62/81/368436281.db2.gz	JHQOKELRRWZKTM-MRXNPFEDSA-N	-1	0	268.312	3.228	40	0		CGABRM
O=C([O-])CC[C@H]1CCCCN1C(=O)OCc1ccccc1	ZINC000002577443	368466729	/nfs/dbraw/zinc/46/67/29/368466729.db2.gz	RRGFIPDSIDEIDL-CQSZACIVSA-N	-1	0	291.347	3.043	40	0		CGABRM
C[C@@H]1CCC[C@H]([C@](O)(C(=O)[O-])C2CCCCC2)C1	ZINC000005047849	368561207	/nfs/dbraw/zinc/56/12/07/368561207.db2.gz	MBMAQAGQHBXDMT-ZLDLUXBVSA-N	-1	0	254.370	3.209	40	0		CGABRM
O=C([O-])c1cccc(NC(=O)Cc2ccc(Cl)cc2)c1	ZINC000013094529	368642011	/nfs/dbraw/zinc/64/20/11/368642011.db2.gz	PGDCYXYVWHAHJK-UHFFFAOYSA-N	-1	0	289.718	3.219	40	0		CGABRM
COc1ccccc1N[C@H](SCC(=O)[O-])c1ccco1	ZINC000016758459	368720608	/nfs/dbraw/zinc/72/06/08/368720608.db2.gz	KDEVGEHMRQTNGC-CQSZACIVSA-N	-1	0	293.344	3.217	40	0		CGABRM
COc1ccc2ccccc2c1C=C1SC(=O)NC1=O	ZINC000033908034	368969518	/nfs/dbraw/zinc/96/95/18/368969518.db2.gz	DEXQGOYQECJOKR-JYRVWZFOSA-N	-1	0	285.324	3.172	40	0		CGABRM
CCN1C(=O)c2ccccc2[C@H](C(=O)[O-])[C@H]1c1ccccc1	ZINC000033413910	368963006	/nfs/dbraw/zinc/96/30/06/368963006.db2.gz	TXZFOENUILIFRQ-JKSUJKDBSA-N	-1	0	295.338	3.072	40	0		CGABRM
O=C([O-])c1ccc(OCc2cccnc2)c(Cl)c1	ZINC000042393236	369219409	/nfs/dbraw/zinc/21/94/09/369219409.db2.gz	JJFPDLGHXZFTAL-UHFFFAOYSA-N	-1	0	263.680	3.012	40	0		CGABRM
O=C([O-])c1ccc(OCc2ccccc2)c(F)c1F	ZINC000054965110	369509482	/nfs/dbraw/zinc/50/94/82/369509482.db2.gz	LRDUKBLYCQINLX-UHFFFAOYSA-N	-1	0	264.227	3.242	40	0		CGABRM
O=C([O-])[C@H]1CC(=O)N(c2ccc3c(c2)oc2ccccc23)C1	ZINC000045957724	304174803	/nfs/dbraw/zinc/17/48/03/304174803.db2.gz	LHPSKUBZNVSMMS-JTQLQIEISA-N	-1	0	295.294	3.024	40	0		CGABRM
O=C([O-])CCCSc1n[nH]c(-c2ccc(Cl)cc2)n1	ZINC000224977546	376290008	/nfs/dbraw/zinc/29/00/08/376290008.db2.gz	SCWKZVGPYZCHBK-UHFFFAOYSA-N	-1	0	297.767	3.082	40	0		CGABRM
Cc1ccc(O[C@H](Cc2ccccc2)C(=O)[O-])cc1C	ZINC000225014284	376291593	/nfs/dbraw/zinc/29/15/93/376291593.db2.gz	FNPYWCIAGDUPHP-MRXNPFEDSA-N	-1	0	270.328	3.378	40	0		CGABRM
O=C([O-])c1cnccc1-c1csc(C(F)F)c1	ZINC000575629250	377923370	/nfs/dbraw/zinc/92/33/70/377923370.db2.gz	NJMNXRVAKCNFLO-UHFFFAOYSA-N	-1	0	255.245	3.446	40	0		CGABRM
O=C([O-])[C@](O)(c1ccccc1)c1cccc2ccccc21	ZINC000001675358	304213097	/nfs/dbraw/zinc/21/30/97/304213097.db2.gz	SCUTVJFQXIRWRF-SFHVURJKSA-N	-1	0	278.307	3.160	40	0		CGABRM
O=C([O-])c1c(F)ccc2nc(C(F)(F)F)ccc21	ZINC000096171796	304217508	/nfs/dbraw/zinc/21/75/08/304217508.db2.gz	SRQHWVDJZDYAOK-UHFFFAOYSA-N	-1	0	259.158	3.091	40	0		CGABRM
O=C([O-])c1cc2c(ncnc2N2CCc3ccccc32)s1	ZINC000226105703	304228694	/nfs/dbraw/zinc/22/86/94/304228694.db2.gz	NHPUGWFTXZSDLY-UHFFFAOYSA-N	-1	0	297.339	3.084	40	0		CGABRM
O=C([O-])c1cccc(NC(=S)NC2CCCCC2)c1	ZINC000013795690	304263602	/nfs/dbraw/zinc/26/36/02/304263602.db2.gz	GJRWNNBPTRSRMT-UHFFFAOYSA-N	-1	0	278.377	3.004	40	0		CGABRM
O=C([O-])/C=C/c1cn(-c2ccccc2)nc1-c1ccco1	ZINC000026511293	391951242	/nfs/dbraw/zinc/95/12/42/391951242.db2.gz	HZVIRICFDMBSHU-CMDGGOBGSA-N	-1	0	280.283	3.230	40	0		CGABRM
CCOC(=O)c1sc(C(=O)[O-])cc1-c1cccs1	ZINC000001734674	169752625	/nfs/dbraw/zinc/75/26/25/169752625.db2.gz	RPWNIYAUYIEOIM-UHFFFAOYSA-N	-1	0	282.342	3.352	40	0		CGABRM
CCOC(=O)[C@H](C(=O)[O-])C(c1ccccc1)c1ccccc1	ZINC000006403277	170198791	/nfs/dbraw/zinc/19/87/91/170198791.db2.gz	GIHSRIWHSQCPBX-INIZCTEOSA-N	-1	0	298.338	3.082	40	0		CGABRM
CC[C@@H](Sc1ccccc1NC(=O)C(C)C)C(=O)[O-]	ZINC000008732829	170351642	/nfs/dbraw/zinc/35/16/42/170351642.db2.gz	RURWELPEXGIFPL-LLVKDONJSA-N	-1	0	281.377	3.236	40	0		CGABRM
CCC[C@@H](C)C(=O)Nc1ccccc1SCC(=O)[O-]	ZINC000008732896	170351690	/nfs/dbraw/zinc/35/16/90/170351690.db2.gz	SAXYUMKTSVVWJW-SNVBAGLBSA-N	-1	0	281.377	3.238	40	0		CGABRM
C[C@@H](Oc1cccc(Oc2ccccc2)c1)C(=O)[O-]	ZINC000013609160	170569079	/nfs/dbraw/zinc/56/90/79/170569079.db2.gz	XAJAXMBTYZIQEV-LLVKDONJSA-N	-1	0	258.273	3.331	40	0		CGABRM
CC(C)CC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1	ZINC000020136823	171024711	/nfs/dbraw/zinc/02/47/11/171024711.db2.gz	QDBVBMUCOFHLFT-UHFFFAOYSA-N	-1	0	255.701	3.023	40	0		CGABRM
Cc1c(NC(=O)C(Cl)(Cl)Cl)cccc1C(=O)[O-]	ZINC000020136937	171024820	/nfs/dbraw/zinc/02/48/20/171024820.db2.gz	CECKDTOBNFFBFU-UHFFFAOYSA-N	-1	0	296.537	3.002	40	0		CGABRM
Cc1nc(NCCC2=CCCCC2)sc1C(=O)[O-]	ZINC000020156527	171039547	/nfs/dbraw/zinc/03/95/47/171039547.db2.gz	RIWHRCMUWAGRQP-UHFFFAOYSA-N	-1	0	266.366	3.452	40	0		CGABRM
Cc1c(NCc2ccccc2F)cccc1C(=O)[O-]	ZINC000020295775	171136181	/nfs/dbraw/zinc/13/61/81/171136181.db2.gz	BCGSSBOVLPLZAM-UHFFFAOYSA-N	-1	0	259.280	3.444	40	0		CGABRM
O=C([O-])c1ccc(NC(=O)c2cc3ccccc3o2)cc1O	ZINC000020533934	171240501	/nfs/dbraw/zinc/24/05/01/171240501.db2.gz	QGEUUDCOWFVEGI-UHFFFAOYSA-N	-1	0	297.266	3.089	40	0		CGABRM
O=C([O-])c1cccc(OCc2nc(-c3ccccc3)no2)c1	ZINC000022120566	171353353	/nfs/dbraw/zinc/35/33/53/171353353.db2.gz	GGVHZBKSMMOBED-UHFFFAOYSA-N	-1	0	296.282	3.014	40	0		CGABRM
COc1cccc(-c2noc(-c3ccccc3C(=O)[O-])n2)c1	ZINC000022119718	171353545	/nfs/dbraw/zinc/35/35/45/171353545.db2.gz	UATHTEKCXWRJPJ-UHFFFAOYSA-N	-1	0	296.282	3.110	40	0		CGABRM
CC(C)(C)OC(=O)N(CC(=O)[O-])Cc1ccc(Cl)cc1	ZINC000032185064	171720541	/nfs/dbraw/zinc/72/05/41/171720541.db2.gz	PJUZTHRLMLJARW-UHFFFAOYSA-N	-1	0	299.754	3.162	40	0		CGABRM
C[C@]1(C(=O)[O-])CC(c2cccc(Oc3ccccc3)c2)=NO1	ZINC000071981010	176307602	/nfs/dbraw/zinc/30/76/02/176307602.db2.gz	BISGEUABHRFQSL-QGZVFWFLSA-N	-1	0	297.310	3.447	40	0		CGABRM
CCC(=O)Nc1cc(C)ccc1-c1ccc(C(=O)[O-])o1	ZINC000226351988	416522191	/nfs/dbraw/zinc/52/21/91/416522191.db2.gz	AMYFAMVTXWVAJY-UHFFFAOYSA-N	-1	0	273.288	3.302	40	0		CGABRM
CCC(=O)Nc1cc(-c2ccc(C(=O)[O-])o2)ccc1C	ZINC000226352252	416522219	/nfs/dbraw/zinc/52/22/19/416522219.db2.gz	VMUSLSIBNAFNIK-UHFFFAOYSA-N	-1	0	273.288	3.302	40	0		CGABRM
O=C([O-])C[C@@H](n1ccc(-c2ccccc2)n1)C(F)(F)F	ZINC000685936740	544109360	/nfs/dbraw/zinc/10/93/60/544109360.db2.gz	USTJIWNRBUHKKE-LLVKDONJSA-N	-1	0	284.237	3.128	40	0		CGABRM
Cc1ccc(NCc2ccccc2OCC(=O)[O-])cc1C	ZINC000409114815	261139844	/nfs/dbraw/zinc/13/98/44/261139844.db2.gz	JJNKEWSWJPDBNA-UHFFFAOYSA-N	-1	0	285.343	3.379	40	0		CGABRM
CC(=O)Nc1c2ccc(C(C)(C)C)cc2n(C)c1C(=O)[O-]	ZINC000408712503	278184673	/nfs/dbraw/zinc/18/46/73/278184673.db2.gz	XTXYOEDJPLKPHR-UHFFFAOYSA-N	-1	0	288.347	3.132	40	0		CGABRM
C[C@@]1(Cc2ccccc2)Cc2cc(C(=O)[O-])ccc2O1	ZINC000257201618	297903340	/nfs/dbraw/zinc/90/33/40/297903340.db2.gz	AIIGRILPPQTJTC-QGZVFWFLSA-N	-1	0	268.312	3.321	40	0		CGABRM
Cc1cc(N)c(-c2ccc(C(=O)[O-])o2)cc1Cl	ZINC000073640310	301330955	/nfs/dbraw/zinc/33/09/55/301330955.db2.gz	XLZXDALBZNVCKS-UHFFFAOYSA-N	-1	0	251.669	3.189	40	0		CGABRM
O=c1c2c[n-]c3c(F)ccc(F)c3c-2nn1-c1ccccc1	ZINC000064874877	304816390	/nfs/dbraw/zinc/81/63/90/304816390.db2.gz	SRELCTUUEXFNFY-UHFFFAOYSA-N	-1	0	297.264	3.145	40	0		CGABRM
C[C@@H](C(=O)[O-])N1c2ccc(F)cc2[C@H](C)CC1(C)C	ZINC000260619426	327945251	/nfs/dbraw/zinc/94/52/51/327945251.db2.gz	LNIQFGDNEODLQD-ZJUUUORDSA-N	-1	0	265.328	3.391	40	0		CGABRM
CCN(c1cc(Cl)cc(Cl)c1)[C@H](C)C(=O)[O-]	ZINC000260679433	328007002	/nfs/dbraw/zinc/00/70/02/328007002.db2.gz	MOHHEXNUTVXVAZ-SSDOTTSWSA-N	-1	0	262.136	3.293	40	0		CGABRM
CCCN(c1cc(Cl)ccc1C)[C@H](C)C(=O)[O-]	ZINC000260677680	328007129	/nfs/dbraw/zinc/00/71/29/328007129.db2.gz	KIZRLDAISYUONX-SNVBAGLBSA-N	-1	0	255.745	3.338	40	0		CGABRM
CN(C(=O)OCc1ccccc1)[C@H](C(=O)[O-])c1ccccc1	ZINC000002244262	344857031	/nfs/dbraw/zinc/85/70/31/344857031.db2.gz	GKGCEDIFEKJBFY-HNNXBMFYSA-N	-1	0	299.326	3.081	40	0		CGABRM
C#CCOc1c(Cl)cc(/C=C/C(=O)[O-])cc1Cl	ZINC000107699950	345935199	/nfs/dbraw/zinc/93/51/99/345935199.db2.gz	HTCCTHOVZFGRJN-ONEGZZNKSA-N	-1	0	271.099	3.103	40	0		CGABRM
O=C([O-])c1ccc(C(F)(F)F)cc1OC(F)F	ZINC000143753347	346115684	/nfs/dbraw/zinc/11/56/84/346115684.db2.gz	CTZIULPDDDTPKX-UHFFFAOYSA-N	-1	0	256.126	3.005	40	0		CGABRM
CC[C@H](C(=O)[O-])n1cc(-c2cccc(Cl)c2)cn1	ZINC000085391280	179048454	/nfs/dbraw/zinc/04/84/54/179048454.db2.gz	ZMLXWSYJZHPCQY-GFCCVEGCSA-N	-1	0	264.712	3.239	40	0		CGABRM
O=C([O-])C[C@@H](Cc1nc2ccccc2s1)C(F)(F)F	ZINC000256050698	346398647	/nfs/dbraw/zinc/39/86/47/346398647.db2.gz	GEBPVJIXXAIHMT-SSDOTTSWSA-N	-1	0	289.278	3.492	40	0		CGABRM
O=C([O-])CCc1c(O)ccc2cc(Br)ccc21	ZINC000199569211	304064142	/nfs/dbraw/zinc/06/41/42/304064142.db2.gz	ZYXALPGJNOXQRL-UHFFFAOYSA-N	-1	0	295.132	3.325	40	0		CGABRM
CCCCO[C@@H](Cc1ccc(C)cc1C)C(=O)[O-]	ZINC000225027214	189743787	/nfs/dbraw/zinc/74/37/87/189743787.db2.gz	QQJPSRHVPVQSLS-AWEZNQCLSA-N	-1	0	250.338	3.116	40	0		CGABRM
CCCO[C@H](Cc1ccc(Cl)cc1Cl)C(=O)[O-]	ZINC000225086959	189744199	/nfs/dbraw/zinc/74/41/99/189744199.db2.gz	CTOOXWOLJLLXFO-LLVKDONJSA-N	-1	0	277.147	3.416	40	0		CGABRM
CCCCc1ccc(C[C@H](OCCC)C(=O)[O-])cc1	ZINC000225129857	189744589	/nfs/dbraw/zinc/74/45/89/189744589.db2.gz	ZNTSERBWWVVQRM-HNNXBMFYSA-N	-1	0	264.365	3.452	40	0		CGABRM
O=C([O-])Cc1cccc2c(=O)cc(Cc3ccccc3)oc12	ZINC000001584867	368420826	/nfs/dbraw/zinc/42/08/26/368420826.db2.gz	VGVJLJSWNHDQNR-UHFFFAOYSA-N	-1	0	294.306	3.011	40	0		CGABRM
CC1(C)OC(=S)[N-]c2ccc(Br)cc21	ZINC000033979888	368970947	/nfs/dbraw/zinc/97/09/47/368970947.db2.gz	PJJIGEUPSHUTDW-UHFFFAOYSA-N	-1	0	272.167	3.411	40	0		CGABRM
Cc1ccc(C(=O)c2cccc([C@@H](C)C(=O)[O-])c2)cc1	ZINC000032142420	368927935	/nfs/dbraw/zinc/92/79/35/368927935.db2.gz	PXERNXYPPAUBJI-GFCCVEGCSA-N	-1	0	268.312	3.414	40	0	in-vitro	CGABRM
Nc1ccc(NCc2ccc(Cl)cc2)c(C(=O)[O-])c1	ZINC000037930711	369126368	/nfs/dbraw/zinc/12/63/68/369126368.db2.gz	XLKPRPKLQWNWHQ-UHFFFAOYSA-N	-1	0	276.723	3.233	40	0		CGABRM
Cc1nn(-c2cccc(Cl)c2C)c(C)c1CCC(=O)[O-]	ZINC000041482943	369186719	/nfs/dbraw/zinc/18/67/19/369186719.db2.gz	IZCOHKGYELMFQQ-UHFFFAOYSA-N	-1	0	292.766	3.468	40	0		CGABRM
Cc1[nH]c(-c2cccc3ccccc32)nc1C(=O)[O-]	ZINC000052063968	369463276	/nfs/dbraw/zinc/46/32/76/369463276.db2.gz	LBSANROXHYWKTK-UHFFFAOYSA-N	-1	0	252.273	3.237	40	0		CGABRM
COc1cccc(C(=O)n2cc(C(=O)[O-])c3ccccc32)c1	ZINC000098152428	370268081	/nfs/dbraw/zinc/26/80/81/370268081.db2.gz	ZMYIYZLVKNZWCP-UHFFFAOYSA-N	-1	0	295.294	3.037	40	0		CGABRM
CCc1[n-]n2c(nc(C)c(C)c2=O)c1-c1cccs1	ZINC000100163427	370272669	/nfs/dbraw/zinc/27/26/69/370272669.db2.gz	ZIFULBHNIQGNGX-UHFFFAOYSA-N	-1	0	273.361	3.343	40	0		CGABRM
COc1ccc(C([O-])=CC(=O)c2ccccc2)c(OC)c1	ZINC000100402614	370278146	/nfs/dbraw/zinc/27/81/46/370278146.db2.gz	AEEAKBXAXKZQPA-UHFFFAOYSA-N	-1	0	284.311	3.160	40	0		CGABRM
CC(=O)C(C)=C([O-])c1cc(C)c(Br)s1	ZINC000104085626	370337328	/nfs/dbraw/zinc/33/73/28/370337328.db2.gz	OAAFMCKNSJWUIK-ZCFIWIBFSA-N	-1	0	275.167	3.227	40	0		CGABRM
CC[C@H](C(=O)[O-])N(CC)c1cccc(Cl)c1C	ZINC000224991460	376289754	/nfs/dbraw/zinc/28/97/54/376289754.db2.gz	QNYMYLNERFQOPW-LLVKDONJSA-N	-1	0	255.745	3.338	40	0		CGABRM
Cc1ccc(O[C@@H](Cc2ccccc2)C(=O)[O-])cc1C	ZINC000225014251	376291221	/nfs/dbraw/zinc/29/12/21/376291221.db2.gz	FNPYWCIAGDUPHP-INIZCTEOSA-N	-1	0	270.328	3.378	40	0		CGABRM
COc1ccc(C[C@H](Oc2ccccc2C)C(=O)[O-])cc1	ZINC000225101312	376295072	/nfs/dbraw/zinc/29/50/72/376295072.db2.gz	NLVSFOXAASMLKQ-INIZCTEOSA-N	-1	0	286.327	3.078	40	0		CGABRM
Cc1cc2nc(CC(=O)[O-])n(Cc3ccccc3)c2cc1C	ZINC000225296985	376301201	/nfs/dbraw/zinc/30/12/01/376301201.db2.gz	YFYWGJNHANPTDF-UHFFFAOYSA-N	-1	0	294.354	3.329	40	0		CGABRM
CC(C)(C)C(=O)Nc1cc(/C=C/C(=O)[O-])ccc1Cl	ZINC000226357090	376354428	/nfs/dbraw/zinc/35/44/28/376354428.db2.gz	ZBEJHGOXJICTHX-FNORWQNLSA-N	-1	0	281.739	3.422	40	0		CGABRM
O=C([O-])[C@H](c1c[nH]c2cccc(F)c21)C(F)(F)F	ZINC000255187945	377740634	/nfs/dbraw/zinc/74/06/34/377740634.db2.gz	HUXJTBCPXISCFM-VIFPVBQESA-N	-1	0	261.174	3.038	40	0		CGABRM
CCc1ccccc1Nc1ccc(C(=O)[O-])cc1N	ZINC000000266527	169591791	/nfs/dbraw/zinc/59/17/91/169591791.db2.gz	BFACUDUPULYJRQ-UHFFFAOYSA-N	-1	0	256.305	3.273	40	0		CGABRM
O=C([O-])c1ccc2c(cccc2OC(F)(F)F)c1	ZINC000095611605	304254323	/nfs/dbraw/zinc/25/43/23/304254323.db2.gz	PKBNQAHWWNVNQE-UHFFFAOYSA-N	-1	0	256.179	3.437	40	0		CGABRM
O=C([O-])c1ccccc1C(=O)N1CC[C@@H]2CCCC[C@H]2C1	ZINC000035161681	304267172	/nfs/dbraw/zinc/26/71/72/304267172.db2.gz	WAAOIRMVLQPYHW-STQMWFEESA-N	-1	0	287.359	3.037	40	0		CGABRM
CC1CCC([C@@](O)(C(=O)[O-])C2CCCCC2)CC1	ZINC000000392317	391909052	/nfs/dbraw/zinc/90/90/52/391909052.db2.gz	QZHULXMRSZMOEF-ABIUDSBCSA-N	-1	0	254.370	3.209	40	0		CGABRM
CC(C)c1ccc(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])cc1	ZINC000005384781	391922913	/nfs/dbraw/zinc/92/29/13/391922913.db2.gz	NCGSGNHLSJWIGX-VRKREXBASA-N	-1	0	299.370	3.271	40	0		CGABRM
CS[C@H](CC(=O)[O-])c1nc2ccccc2s1	ZINC000072207249	392196247	/nfs/dbraw/zinc/19/62/47/392196247.db2.gz	VMLNMDQMUIDKGX-SECBINFHSA-N	-1	0	253.348	3.175	40	0		CGABRM
Cc1ccc(-c2cc(C3(C(=O)[O-])CC3)no2)cc1C	ZINC000072220588	392201948	/nfs/dbraw/zinc/20/19/48/392201948.db2.gz	IVPDGOWDJYDLTO-UHFFFAOYSA-N	-1	0	257.289	3.075	40	0		CGABRM
Cc1c(F)cc2ccc(C(=O)[O-])nc2c1Br	ZINC000085399921	392225373	/nfs/dbraw/zinc/22/53/73/392225373.db2.gz	FGPSUHLJIRLQKR-UHFFFAOYSA-N	-1	0	284.084	3.143	40	0		CGABRM
O=C([O-])c1[nH]cc(-c2ccccc2F)c1-n1cccc1	ZINC000096516645	392257825	/nfs/dbraw/zinc/25/78/25/392257825.db2.gz	WLVDYCVECGYZBS-UHFFFAOYSA-N	-1	0	270.263	3.310	40	0		CGABRM
CCc1ccc(Nc2nc(C)c(C(=O)[O-])s2)cc1	ZINC000005444929	170099729	/nfs/dbraw/zinc/09/97/29/170099729.db2.gz	SNPUMQDYUKRTRD-UHFFFAOYSA-N	-1	0	262.334	3.456	40	0		CGABRM
COc1ccccc1-c1cc(=O)n(-c2ccc(F)cc2)[n-]1	ZINC000009937436	170391402	/nfs/dbraw/zinc/39/14/02/170391402.db2.gz	HUMVMVUWNRPXMP-UHFFFAOYSA-N	-1	0	284.290	3.393	40	0		CGABRM
O=C([O-])c1cc(NC(=O)[C@@H]2CC=CCC2)ccc1Cl	ZINC000037403809	173180381	/nfs/dbraw/zinc/18/03/81/173180381.db2.gz	DRRYOVJRBVVGDI-SECBINFHSA-N	-1	0	279.723	3.333	40	0		CGABRM
C[C@H](CCc1ccccc1)Nc1ccc(N)cc1C(=O)[O-]	ZINC000044483160	175180084	/nfs/dbraw/zinc/18/00/84/175180084.db2.gz	DBRKFIAHUHSYQH-GFCCVEGCSA-N	-1	0	284.359	3.400	40	0		CGABRM
Cc1cc(C)c(C)c([C@](O)(C(=O)[O-])c2ccccc2)c1C	ZINC000008637699	260032678	/nfs/dbraw/zinc/03/26/78/260032678.db2.gz	BATCRZBPSNQOOU-SFHVURJKSA-N	-1	0	284.355	3.241	40	0		CGABRM
CC(=O)Nc1ccccc1-c1ccc(C(=O)[O-])cc1	ZINC000016947561	278211587	/nfs/dbraw/zinc/21/15/87/278211587.db2.gz	UETUSMGQLAHLME-UHFFFAOYSA-N	-1	0	255.273	3.010	40	0		CGABRM
CCOC(=O)C(C)(C)Oc1ccc([S-])cc1C	ZINC000066325541	500693002	/nfs/dbraw/zinc/69/30/02/500693002.db2.gz	YVCDWJQGSCWPGH-UHFFFAOYSA-N	-1	0	254.351	3.004	40	0		CGABRM
CCC1(C(=O)[O-])CCC(C)(NC(=O)OC(C)(C)C)CC1	ZINC000256027875	282342341	/nfs/dbraw/zinc/34/23/41/282342341.db2.gz	HVYQHJGXHGLRBR-UHFFFAOYSA-N	-1	0	285.384	3.325	40	0		CGABRM
CCOc1ccc(C(=O)[O-])cc1OCc1ccccc1	ZINC000033647055	344935918	/nfs/dbraw/zinc/93/59/18/344935918.db2.gz	KRUSTHHKMCGUJB-UHFFFAOYSA-N	-1	0	272.300	3.363	40	0		CGABRM
CC(C)(C)OC(=O)C=C([O-])c1ccc(Cl)cc1	ZINC000034268558	344938557	/nfs/dbraw/zinc/93/85/57/344938557.db2.gz	FIALLSIWUOHQFY-UHFFFAOYSA-N	-1	0	254.713	3.255	40	0		CGABRM
CCOc1ccc(CC(=O)[O-])cc1OCc1ccccc1	ZINC000044225523	345006856	/nfs/dbraw/zinc/00/68/56/345006856.db2.gz	OUWYQMVFJMJAJG-UHFFFAOYSA-N	-1	0	286.327	3.291	40	0		CGABRM
Cc1ccc(-c2cc3ccc([O-])cc3oc2=O)cc1	ZINC000214836818	346288186	/nfs/dbraw/zinc/28/81/86/346288186.db2.gz	QIBUCIJBAGYNNV-UHFFFAOYSA-N	-1	0	252.269	3.474	40	0		CGABRM
CC[C@H](Oc1ccc(/C=C/c2ccccc2)nc1)C(=O)[O-]	ZINC000256054988	346399631	/nfs/dbraw/zinc/39/96/31/346399631.db2.gz	YREGPIFOONUKCP-FDMDGMSGSA-N	-1	0	283.327	3.494	40	0		CGABRM
O=C([O-])C1(c2ccc(Cl)cc2Cl)CCC(=O)CC1	ZINC000090651091	304034909	/nfs/dbraw/zinc/03/49/09/304034909.db2.gz	SOLBSHQYTQZTDJ-UHFFFAOYSA-N	-1	0	287.142	3.459	40	0		CGABRM
O=C([O-])C1=NN(c2ccc(F)cc2)[C@@H](c2ccccc2)C1	ZINC000071979098	304036493	/nfs/dbraw/zinc/03/64/93/304036493.db2.gz	UXDQLYJLYPICLF-OAHLLOKOSA-N	-1	0	284.290	3.218	40	0		CGABRM
O=C([O-])C1=NN(c2ccccc2F)[C@H](c2ccccc2)C1	ZINC000071979041	304036529	/nfs/dbraw/zinc/03/65/29/304036529.db2.gz	NQUNIJYKPOKBIO-HNNXBMFYSA-N	-1	0	284.290	3.218	40	0		CGABRM
CO[C@@H](Cc1ccc(Oc2ccccc2)cc1)C(=O)[O-]	ZINC000225110935	189743979	/nfs/dbraw/zinc/74/39/79/189743979.db2.gz	HWENHIBSPLLROB-HNNXBMFYSA-N	-1	0	272.300	3.121	40	0		CGABRM
Cc1ccccc1-c1noc(-c2ccccc2C(=O)[O-])n1	ZINC000003363291	368504567	/nfs/dbraw/zinc/50/45/67/368504567.db2.gz	DYLRHRSWMBGUMI-UHFFFAOYSA-N	-1	0	280.283	3.410	40	0		CGABRM
Cc1ccccc1C(=O)Cc1ccccc1C(=O)[O-]	ZINC000003848039	368521436	/nfs/dbraw/zinc/52/14/36/368521436.db2.gz	VCJIEMDMZIKKSD-UHFFFAOYSA-N	-1	0	254.285	3.119	40	0		CGABRM
C[C@@]1(C(=O)[O-])CCC[C@@]2(C)c3ccc(O)cc3CC[C@@H]12	ZINC000004742590	368558204	/nfs/dbraw/zinc/55/82/04/368558204.db2.gz	DWHTYLMRWXUGJL-HYVNUMGLSA-N	-1	0	274.360	3.487	40	0		CGABRM
Cc1nc(-c2coc3cc([O-])c(C)cc3c2=O)cs1	ZINC000005958183	368566312	/nfs/dbraw/zinc/56/63/12/368566312.db2.gz	HODNNZZYAMEMME-UHFFFAOYSA-N	-1	0	273.313	3.239	40	0		CGABRM
CCN(Cc1ccc(C(=O)[O-])cc1)c1ccccc1	ZINC000011852083	368598159	/nfs/dbraw/zinc/59/81/59/368598159.db2.gz	INPMHOMDNXRJPX-UHFFFAOYSA-N	-1	0	255.317	3.411	40	0		CGABRM
CCOc1ccc(-c2nc(CC)c(C(=O)[O-])s2)cc1	ZINC000011945002	368600894	/nfs/dbraw/zinc/60/08/94/368600894.db2.gz	JZUGNACNWOMJGN-UHFFFAOYSA-N	-1	0	277.345	3.469	40	0		CGABRM
C[C@@H](CC(=O)[O-])CC(=O)c1ccc(Cl)c(F)c1	ZINC000015441783	368694717	/nfs/dbraw/zinc/69/47/17/368694717.db2.gz	WRHWTVLWRUJQOX-SSDOTTSWSA-N	-1	0	258.676	3.163	40	0		CGABRM
Cc1cccc(NC(=O)NCc2ccc(C(=O)[O-])cc2)c1	ZINC000019266520	368747124	/nfs/dbraw/zinc/74/71/24/368747124.db2.gz	LQAXWYVMPYFSCP-UHFFFAOYSA-N	-1	0	284.315	3.015	40	0		CGABRM
O=C([O-])C1(Cc2cccc(C(F)(F)F)c2)CCOCC1	ZINC000061674677	369603954	/nfs/dbraw/zinc/60/39/54/369603954.db2.gz	BKYIVVOQISPVGV-UHFFFAOYSA-N	-1	0	288.265	3.129	40	0		CGABRM
CCCOc1c(C)cc(Br)cc1C(=O)[O-]	ZINC000165609784	372554947	/nfs/dbraw/zinc/55/49/47/372554947.db2.gz	BWGRKNUQXMNOEH-UHFFFAOYSA-N	-1	0	273.126	3.245	40	0		CGABRM
C[Si](C)(C)c1cc(Cl)c(C(=O)[O-])c(Cl)c1	ZINC000196206331	376119891	/nfs/dbraw/zinc/11/98/91/376119891.db2.gz	AASZXWITBYTTKT-UHFFFAOYSA-N	-1	0	263.196	3.237	40	0		CGABRM
Cc1cc2c(cc1C)N(CC(=O)[O-])C(C)(C)C[C@@H]2C	ZINC000223186733	376248690	/nfs/dbraw/zinc/24/86/90/376248690.db2.gz	KTUJURUJFLVNLV-LBPRGKRZSA-N	-1	0	261.365	3.480	40	0		CGABRM
Cc1ccccc1O[C@@H](Cc1ccccc1F)C(=O)[O-]	ZINC000225050297	376293585	/nfs/dbraw/zinc/29/35/85/376293585.db2.gz	SZHVRCJRAIIDQO-HNNXBMFYSA-N	-1	0	274.291	3.209	40	0		CGABRM
CC(C)CO[C@H](Cc1ccc(Cl)cc1)C(=O)[O-]	ZINC000225062389	376293769	/nfs/dbraw/zinc/29/37/69/376293769.db2.gz	QEBCBDWQFAJCQR-GFCCVEGCSA-N	-1	0	256.729	3.008	40	0		CGABRM
O=C([O-])c1c(Br)ccc(Cl)c1Cl	ZINC000021985395	304216840	/nfs/dbraw/zinc/21/68/40/304216840.db2.gz	DULGWZUQJZGXKB-UHFFFAOYSA-N	-1	0	269.909	3.454	40	0		CGABRM
O=C([O-])c1cccc2c(I)cccc12	ZINC000034370957	304265365	/nfs/dbraw/zinc/26/53/65/304265365.db2.gz	XOLAGCSLKROFTP-UHFFFAOYSA-N	-1	0	298.079	3.143	40	0		CGABRM
O=C([O-])c1cccnc1-c1cccc(C(F)(F)F)c1	ZINC000041384491	304272185	/nfs/dbraw/zinc/27/21/85/304272185.db2.gz	WGINJLWZIAQNAS-UHFFFAOYSA-N	-1	0	267.206	3.466	40	0		CGABRM
CC[C@@H](Cc1ccc(Br)cc1)C(=O)[O-]	ZINC000037462421	286858348	/nfs/dbraw/zinc/85/83/48/286858348.db2.gz	BVGURJANTDGYGN-VIFPVBQESA-N	-1	0	257.127	3.102	40	0		CGABRM
CCC[C@](O)(C(=O)[O-])c1ccc(-c2ccccc2)cc1	ZINC000002042229	169771334	/nfs/dbraw/zinc/77/13/34/169771334.db2.gz	PBGJDQGWKOWCEA-QGZVFWFLSA-N	-1	0	270.328	3.426	40	0		CGABRM
CCOc1cccc(OCc2cccc(C(=O)[O-])c2)c1	ZINC000008729639	170350188	/nfs/dbraw/zinc/35/01/88/170350188.db2.gz	KJTWIUJYZOUUND-UHFFFAOYSA-N	-1	0	272.300	3.363	40	0		CGABRM
CCC(CC)C(=O)Nc1ccccc1SCC(=O)[O-]	ZINC000008732887	170351507	/nfs/dbraw/zinc/35/15/07/170351507.db2.gz	CDKWOCUWDRJEAC-UHFFFAOYSA-N	-1	0	281.377	3.238	40	0		CGABRM
CC[C@@H](C)C(=O)Nc1ccccc1S[C@@H](C)C(=O)[O-]	ZINC000008732862	170351522	/nfs/dbraw/zinc/35/15/22/170351522.db2.gz	HGGHUJKFODMRET-ZJUUUORDSA-N	-1	0	281.377	3.236	40	0		CGABRM
C=COCCc1c(C)[n-]n(-c2ccc(Cl)cc2)c1=O	ZINC000009937244	170391354	/nfs/dbraw/zinc/39/13/54/170391354.db2.gz	CGILLAFWENQIQG-UHFFFAOYSA-N	-1	0	278.739	3.242	40	0		CGABRM
Cc1ccc(C(=O)Nc2cc(C)c(O)c(C(=O)[O-])c2)cc1C	ZINC000020138761	171026097	/nfs/dbraw/zinc/02/60/97/171026097.db2.gz	QVSWPFXRKLMTRR-UHFFFAOYSA-N	-1	0	299.326	3.268	40	0		CGABRM
Cc1c(NC(=O)Nc2ccccc2)cccc1C(=O)[O-]	ZINC000061857448	175656472	/nfs/dbraw/zinc/65/64/72/175656472.db2.gz	JUKRLTUKWMUHCQ-UHFFFAOYSA-N	-1	0	270.288	3.337	40	0		CGABRM
CCC(=O)Nc1cc(-c2ccc(C(=O)[O-])o2)ccc1OC	ZINC000226352341	416521993	/nfs/dbraw/zinc/52/19/93/416521993.db2.gz	RZRFYGHPEMACEP-UHFFFAOYSA-N	-1	0	289.287	3.002	40	0		CGABRM
O=C([O-])c1c(OCC2CC2)cnc2c(Cl)cccc21	ZINC000685937730	544110268	/nfs/dbraw/zinc/11/02/68/544110268.db2.gz	YLSVJCLNEIMQBA-UHFFFAOYSA-N	-1	0	277.707	3.375	40	0		CGABRM
O=C([O-])c1cnc(/C=C/c2scnc2C2CC2)s1	ZINC000556057042	289368396	/nfs/dbraw/zinc/36/83/96/289368396.db2.gz	ZKEPSFXIRUTGSS-ONEGZZNKSA-N	-1	0	278.358	3.346	40	0		CGABRM
COc1cc(C)cc2c(Br)c(C(=O)[O-])cnc12	ZINC000085386367	294967212	/nfs/dbraw/zinc/96/72/12/294967212.db2.gz	UIPNGEBHCZMKBX-UHFFFAOYSA-N	-1	0	296.120	3.013	40	0		CGABRM
COc1cc2c(cc1C(=O)[O-])[C@H](C)CC(C)(C)N2C	ZINC000223778959	295033169	/nfs/dbraw/zinc/03/31/69/295033169.db2.gz	MBKQXGJDOWUSQA-SECBINFHSA-N	-1	0	263.337	3.115	40	0		CGABRM
Cc1cc(C(=O)[O-])cnc1N1CCCc2ccccc21	ZINC000072222867	301157388	/nfs/dbraw/zinc/15/73/88/301157388.db2.gz	WKDQCLOWZGMFOY-UHFFFAOYSA-N	-1	0	268.316	3.173	40	0		CGABRM
Cc1cccc2c1nc(C=O)c(C(=O)[O-])c2C(F)(F)F	ZINC000095101177	302067784	/nfs/dbraw/zinc/06/77/84/302067784.db2.gz	DDEQTKYOMSPJJA-UHFFFAOYSA-N	-1	0	283.205	3.073	40	0		CGABRM
Cc1ccccc1N1N=C(C(=O)[O-])C[C@H]1c1ccccc1	ZINC000071978947	302104937	/nfs/dbraw/zinc/10/49/37/302104937.db2.gz	GPBPDARHAOTWJG-INIZCTEOSA-N	-1	0	280.327	3.387	40	0		CGABRM
CCCN(c1cc(Cl)ccc1OC)[C@H](C)C(=O)[O-]	ZINC000260677405	328006994	/nfs/dbraw/zinc/00/69/94/328006994.db2.gz	CUIIALHXPPTSII-SECBINFHSA-N	-1	0	271.744	3.038	40	0		CGABRM
Nc1ncc(-c2cccc3sc(=S)[n-]c32)s1	ZINC000521813225	333210681	/nfs/dbraw/zinc/21/06/81/333210681.db2.gz	PYQSJYDNDRQZLA-UHFFFAOYSA-N	-1	0	265.388	3.121	40	0		CGABRM
Cc1nn(C)c2nc(/C=C/c3ccccc3)cc(C(=O)[O-])c12	ZINC000064876011	527682564	/nfs/dbraw/zinc/68/25/64/527682564.db2.gz	XJZVQJLSRFWWGC-CMDGGOBGSA-N	-1	0	293.326	3.145	40	0		CGABRM
Cc1ccc(NCc2ccccc2OCC(=O)[O-])cc1	ZINC000409117865	230412481	/nfs/dbraw/zinc/41/24/81/230412481.db2.gz	PEQWJVFRLJDNOZ-UHFFFAOYSA-N	-1	0	271.316	3.071	40	0		CGABRM
CCc1nnc(S/C(=C\c2sccc2C)C(=O)[O-])o1	ZINC000007603387	344868912	/nfs/dbraw/zinc/86/89/12/344868912.db2.gz	NYEZWAXHHNXXRU-TWGQIWQCSA-N	-1	0	296.373	3.220	40	0		CGABRM
Cc1cc(C)c(C(=O)[P@](=O)([O-])c2ccccc2)c(C)c1	ZINC000060011164	345210279	/nfs/dbraw/zinc/21/02/79/345210279.db2.gz	JZDGWLGMEGSUGH-UHFFFAOYSA-N	-1	0	288.283	3.348	40	0		CGABRM
CCOC(=O)c1c[n-]c2c(OC)ccc(Cl)c2c1=S	ZINC000064874742	345265863	/nfs/dbraw/zinc/26/58/63/345265863.db2.gz	PCPVNHAOWJYXGN-UHFFFAOYSA-N	-1	0	297.763	3.362	40	0		CGABRM
C[C@@H]1CCc2cccc(C(=O)[O-])c2N1C(=O)OC(C)(C)C	ZINC000256055164	346399480	/nfs/dbraw/zinc/39/94/80/346399480.db2.gz	ZMXXRLJNQMAOAS-SNVBAGLBSA-N	-1	0	291.347	3.461	40	0		CGABRM
O=C([O-])c1cn(Cc2ccc(Cl)cc2)nc1C(F)F	ZINC000408717765	346604477	/nfs/dbraw/zinc/60/44/77/346604477.db2.gz	STDBRKVXRPDKKQ-UHFFFAOYSA-N	-1	0	286.665	3.221	40	0		CGABRM
O=C([O-])C1([C@H](O)c2ccc(Cl)cc2)CCCC1	ZINC000004694061	304034604	/nfs/dbraw/zinc/03/46/04/304034604.db2.gz	WCLUAZMWFJIQKU-LLVKDONJSA-N	-1	0	254.713	3.018	40	0		CGABRM
O=C([O-])CO[C@H](c1ccccc1Cl)C(F)(F)F	ZINC000095096392	304070570	/nfs/dbraw/zinc/07/05/70/304070570.db2.gz	VZOGDRPXEABZIH-SECBINFHSA-N	-1	0	268.618	3.045	40	0		CGABRM
O=C([O-])[C@@H]1CCCCN1Cc1cc(Cl)sc1Cl	ZINC000009498861	304105448	/nfs/dbraw/zinc/10/54/48/304105448.db2.gz	UCPNLUZLBFREMB-QMMMGPOBSA-N	-1	0	294.203	3.494	40	0		CGABRM
CCCCO[C@H](Cc1ccc(CC)cc1)C(=O)[O-]	ZINC000225044594	189743455	/nfs/dbraw/zinc/74/34/55/189743455.db2.gz	RFWNSHMTFHWTMZ-CQSZACIVSA-N	-1	0	250.338	3.061	40	0		CGABRM
Cc1cccc(C[C@@H](OCc2ccccc2)C(=O)[O-])c1	ZINC000225019327	189743600	/nfs/dbraw/zinc/74/36/00/189743600.db2.gz	PGOGJGFANRUDGA-MRXNPFEDSA-N	-1	0	270.328	3.208	40	0		CGABRM
CCCO[C@@H](Cc1ccc(Cl)c(Cl)c1)C(=O)[O-]	ZINC000225089592	189743967	/nfs/dbraw/zinc/74/39/67/189743967.db2.gz	VMCSQDFGNSYFKQ-NSHDSACASA-N	-1	0	277.147	3.416	40	0		CGABRM
O=C([O-])c1ccccc1SC(=O)c1ccccc1	ZINC000001575388	368419298	/nfs/dbraw/zinc/41/92/98/368419298.db2.gz	AYYGQBKLLWSKJB-UHFFFAOYSA-N	-1	0	258.298	3.317	40	0		CGABRM
Nc1ccc([C@@H](C(=O)[O-])c2ccccc2)cc1Cl	ZINC000001597901	368422186	/nfs/dbraw/zinc/42/21/86/368422186.db2.gz	AWSQBWQKHCRBCH-ZDUSSCGKSA-N	-1	0	261.708	3.139	40	0		CGABRM
C[C@]12CC[C@H](C[C@@H]1OC(=O)c1ccccc1C(=O)[O-])C2	ZINC000001319544	368405529	/nfs/dbraw/zinc/40/55/29/368405529.db2.gz	ZKGPBMXUAKIUOE-AKWBHNSASA-N	-1	0	274.316	3.120	40	0		CGABRM
COc1ccc2c(c1)c(CC(=O)[O-])cn2Cc1ccccc1	ZINC000001685323	368431433	/nfs/dbraw/zinc/43/14/33/368431433.db2.gz	RLVBNWREQBWWMG-UHFFFAOYSA-N	-1	0	295.338	3.325	40	0		CGABRM
Cc1ccc(Nc2ccc(C(=O)[O-])cc2N)c(C)c1	ZINC000037930487	369126438	/nfs/dbraw/zinc/12/64/38/369126438.db2.gz	AEFZYJALLXECJI-UHFFFAOYSA-N	-1	0	256.305	3.327	40	0		CGABRM
O=C([O-])c1cn(C(=O)COc2ccccc2)c2ccccc12	ZINC000098152430	370268121	/nfs/dbraw/zinc/26/81/21/370268121.db2.gz	QRLAPOQHGHENJQ-UHFFFAOYSA-N	-1	0	295.294	3.059	40	0		CGABRM
CC(C)(C)OC(=O)NCC12CCC(C(=O)[O-])(CC1)CCC2	ZINC000306145883	374128064	/nfs/dbraw/zinc/12/80/64/374128064.db2.gz	URFDCKLDEOYVIM-UHFFFAOYSA-N	-1	0	297.395	3.326	40	0		CGABRM
CC[C@@H](C(=O)[O-])N(C)c1cccc(C(F)(F)F)c1	ZINC000224996192	376291206	/nfs/dbraw/zinc/29/12/06/376291206.db2.gz	RSFDSUXMWJESTL-JTQLQIEISA-N	-1	0	261.243	3.005	40	0		CGABRM
Cc1cc(C)cc(O[C@H](Cc2ccccc2)C(=O)[O-])c1	ZINC000225013741	376292124	/nfs/dbraw/zinc/29/21/24/376292124.db2.gz	AQASSDFAOMDDJU-MRXNPFEDSA-N	-1	0	270.328	3.378	40	0		CGABRM
CCc1ccc(C[C@H](OCc2ccccc2)C(=O)[O-])cc1	ZINC000225044795	376293469	/nfs/dbraw/zinc/29/34/69/376293469.db2.gz	CPFMKRHIPLTVBB-KRWDZBQOSA-N	-1	0	284.355	3.462	40	0		CGABRM
Cc1cccc(O[C@H](Cc2ccccc2F)C(=O)[O-])c1	ZINC000225050435	376293707	/nfs/dbraw/zinc/29/37/07/376293707.db2.gz	IPHHSYXODOAOJM-OAHLLOKOSA-N	-1	0	274.291	3.209	40	0		CGABRM
Cc1ccc(O[C@H](Cc2cccc(C)c2)C(=O)[O-])cc1	ZINC000225017298	376293988	/nfs/dbraw/zinc/29/39/88/376293988.db2.gz	JGOBRRZMAIRAKV-MRXNPFEDSA-N	-1	0	270.328	3.378	40	0		CGABRM
Cc1ccc([N-]S(=O)(=O)c2ccc(F)s2)cc1C	ZINC000225386968	376306015	/nfs/dbraw/zinc/30/60/15/376306015.db2.gz	OSOWUBNDPCBYRA-UHFFFAOYSA-N	-1	0	285.365	3.305	40	0		CGABRM
CCN1C(=O)c2ccccc2[C@@H](C(=O)[O-])[C@H]1c1ccccc1	ZINC000049466757	285178295	/nfs/dbraw/zinc/17/82/95/285178295.db2.gz	TXZFOENUILIFRQ-HZPDHXFCSA-N	-1	0	295.338	3.072	40	0		CGABRM
O=C([O-])c1ccccc1C(=O)N1CC[C@H]2CCCC[C@H]2C1	ZINC000035161682	304267169	/nfs/dbraw/zinc/26/71/69/304267169.db2.gz	WAAOIRMVLQPYHW-OLZOCXBDSA-N	-1	0	287.359	3.037	40	0		CGABRM
O=C([O-])c1ccccc1CC1Cc2ccccc2C1	ZINC000001646160	304268418	/nfs/dbraw/zinc/26/84/18/304268418.db2.gz	MRAPTYHAGZHFFH-UHFFFAOYSA-N	-1	0	252.313	3.342	40	0		CGABRM
O=C([O-])c1cccn1-c1ccc(F)cc1Br	ZINC000035431555	304271825	/nfs/dbraw/zinc/27/18/25/304271825.db2.gz	XJMALRFKUMCVSB-UHFFFAOYSA-N	-1	0	284.084	3.077	40	0		CGABRM
O=C([O-])c1cc(C2CC2)nc2onc(Cc3ccccc3)c21	ZINC000062710665	256724461	/nfs/dbraw/zinc/72/44/61/256724461.db2.gz	YMNXNXUEFNORCE-UHFFFAOYSA-N	-1	0	294.310	3.389	40	0		CGABRM
Cc1ccc2nc(C(F)(F)F)cc(C(=O)[O-])c2c1	ZINC000038545766	391982738	/nfs/dbraw/zinc/98/27/38/391982738.db2.gz	UBOVZPJXEQYSIA-UHFFFAOYSA-N	-1	0	255.195	3.260	40	0		CGABRM
O=C([O-])c1cccc(NCc2c[nH]c3ccccc23)c1	ZINC000048727957	392011417	/nfs/dbraw/zinc/01/14/17/392011417.db2.gz	GSUNLFJTKZAGLM-UHFFFAOYSA-N	-1	0	266.300	3.478	40	0		CGABRM
C[C@H](Oc1cc2occc2cc1Br)C(=O)[O-]	ZINC000072219766	392200204	/nfs/dbraw/zinc/20/02/04/392200204.db2.gz	ZMHNTBAILVCRPS-LURJTMIESA-N	-1	0	285.093	3.047	40	0		CGABRM
CCc1ccc(-c2cc(C3(C(=O)[O-])CCC3)no2)cc1	ZINC000072220600	392202041	/nfs/dbraw/zinc/20/20/41/392202041.db2.gz	BFYKTNYZBGAJEM-UHFFFAOYSA-N	-1	0	271.316	3.410	40	0		CGABRM
O=C([O-])c1[nH]cc(-c2ccc(F)cc2)c1-n1cccc1	ZINC000096516647	392257895	/nfs/dbraw/zinc/25/78/95/392257895.db2.gz	NKQGWTFTKNCXKF-UHFFFAOYSA-N	-1	0	270.263	3.310	40	0		CGABRM
CC(C)OCc1ccc(Br)cc1C(=O)[O-]	ZINC000072209150	397640079	/nfs/dbraw/zinc/64/00/79/397640079.db2.gz	VDYAOOFKGOXGMG-UHFFFAOYSA-N	-1	0	273.126	3.072	40	0		CGABRM
O=C([O-])/C(=C\c1ccc2c(c1)OCO2)c1ccccc1	ZINC000004428824	169967879	/nfs/dbraw/zinc/96/78/79/169967879.db2.gz	LNIVRFHJOOGJCG-JYRVWZFOSA-N	-1	0	268.268	3.041	40	0		CGABRM
COc1c(C)cccc1C(=O)Nc1cccc(C(=O)[O-])c1C	ZINC000020143022	171029192	/nfs/dbraw/zinc/02/91/92/171029192.db2.gz	QPIJCBMGTYTZDR-UHFFFAOYSA-N	-1	0	299.326	3.263	40	0		CGABRM
O=C([O-])[C@H]1CC(c2cccc(Oc3ccccc3)c2)=NO1	ZINC000020594096	171263261	/nfs/dbraw/zinc/26/32/61/171263261.db2.gz	XAVUQPLDKATBHZ-OAHLLOKOSA-N	-1	0	283.283	3.057	40	0		CGABRM
O=C([O-])CCc1cc(C(F)(F)F)ccc1Br	ZINC000021300504	171300655	/nfs/dbraw/zinc/30/06/55/171300655.db2.gz	XPFCWQNQAZJJIE-UHFFFAOYSA-N	-1	0	297.070	3.485	40	0		CGABRM
CC(C)(C)OC(=O)N[C@H](C/C=C\c1ccccc1)C(=O)[O-]	ZINC000034847813	171888674	/nfs/dbraw/zinc/88/86/74/171888674.db2.gz	OIMOFNCGPRURIA-PGJNLMOESA-N	-1	0	291.347	3.068	40	0		CGABRM
Cc1ccc(Nc2ccc(C(=O)[O-])cc2N)cc1C	ZINC000037930667	173869637	/nfs/dbraw/zinc/86/96/37/173869637.db2.gz	NPLORNMNOPNKJW-UHFFFAOYSA-N	-1	0	256.305	3.327	40	0		CGABRM
CCO/C(=C\c1ccc(Cl)cc1)c1n[n-]c(=N)s1	ZINC000408718287	260027998	/nfs/dbraw/zinc/02/79/98/260027998.db2.gz	HMQAIVWDOKQDOF-YFHOEESVSA-N	-1	0	281.768	3.139	40	0		CGABRM
O=C1NC(=O)C(=Cc2cc(Cl)cc(Cl)c2[O-])S1	ZINC000003029930	280278139	/nfs/dbraw/zinc/27/81/39/280278139.db2.gz	UIDBNPABMIQKIS-FARCUNLSSA-N	-1	0	290.127	3.023	40	0		CGABRM
CCc1[n-]n2c(nc(C)c(C)c2=O)c1-c1ccc(F)cc1	ZINC000012115655	288650329	/nfs/dbraw/zinc/65/03/29/288650329.db2.gz	UDAALNPINUETLQ-UHFFFAOYSA-N	-1	0	285.322	3.420	40	0		CGABRM
COc1cccc2c1N([C@@H](C)C(=O)[O-])C(C)(C)C[C@H]2C	ZINC000260612788	327945075	/nfs/dbraw/zinc/94/50/75/327945075.db2.gz	BCGARUXQAWHHKH-MNOVXSKESA-N	-1	0	277.364	3.261	40	0		CGABRM
C[C@H](C(=O)[O-])N1c2cc(F)ccc2[C@H](C)CC1(C)C	ZINC000260714619	328054381	/nfs/dbraw/zinc/05/43/81/328054381.db2.gz	DCXSYZDBTIOBPF-NXEZZACHSA-N	-1	0	265.328	3.391	40	0		CGABRM
O=C([O-])[C@H](Cc1ccccc1)Oc1ccc(Cl)cc1	ZINC000013671687	326841453	/nfs/dbraw/zinc/84/14/53/326841453.db2.gz	CPBLTMSKPQDJPW-AWEZNQCLSA-N	-1	0	276.719	3.415	40	0	in-vivo	CGABRM
CC(=O)Nc1ccccc1SCc1ccc(C(=O)[O-])o1	ZINC000408555056	527096349	/nfs/dbraw/zinc/09/63/49/527096349.db2.gz	GXUFJODWSUJQDR-UHFFFAOYSA-N	-1	0	291.328	3.229	40	0		CGABRM
O=C([O-])c1ccc2cc(OC(F)(F)F)ccc2c1	ZINC000095611618	185016633	/nfs/dbraw/zinc/01/66/33/185016633.db2.gz	GSVXMGQJPJBRHA-UHFFFAOYSA-N	-1	0	256.179	3.437	40	0		CGABRM
Cc1cccc(OC(=O)NC(=S)c2ccccc2)c1	ZINC000033868995	344936771	/nfs/dbraw/zinc/93/67/71/344936771.db2.gz	SSLYLZBHKDSGQB-UHFFFAOYSA-N	-1	0	271.341	3.459	40	0		CGABRM
CCOc1ccc(-c2nc(C)sc2CC(=O)[O-])c(C)c1	ZINC000085397418	179050146	/nfs/dbraw/zinc/05/01/46/179050146.db2.gz	CJMTTWVUGLMLEE-UHFFFAOYSA-N	-1	0	291.372	3.453	40	0		CGABRM
O=C([O-])c1cn(Cc2cccc(Cl)c2)nc1C(F)F	ZINC000408717781	346604493	/nfs/dbraw/zinc/60/44/93/346604493.db2.gz	UFISEIFFGPWEHP-UHFFFAOYSA-N	-1	0	286.665	3.221	40	0		CGABRM
COC(=O)C[C@@H](C(=O)[O-])C1c2ccccc2-c2ccccc21	ZINC000085388820	291101195	/nfs/dbraw/zinc/10/11/95/291101195.db2.gz	OGHNHKIYMZIMGI-OAHLLOKOSA-N	-1	0	296.322	3.063	40	0		CGABRM
O=C([O-])CSc1ccccc1NC(=O)C1CCCCC1	ZINC000008732959	304073041	/nfs/dbraw/zinc/07/30/41/304073041.db2.gz	YQRAVZOVRATROC-UHFFFAOYSA-N	-1	0	293.388	3.382	40	0		CGABRM
CCCCO[C@H](Cc1cc(Cl)ccc1OC)C(=O)[O-]	ZINC000225122014	189744572	/nfs/dbraw/zinc/74/45/72/189744572.db2.gz	KDFGPUZUNXYIHQ-CYBMUJFWSA-N	-1	0	286.755	3.161	40	0		CGABRM
CC(C)C[C@@H](Nc1c(O)ccc2ccccc21)C(=O)[O-]	ZINC000001870703	368439687	/nfs/dbraw/zinc/43/96/87/368439687.db2.gz	RBPGXFHOIUGOGZ-CYBMUJFWSA-N	-1	0	273.332	3.457	40	0		CGABRM
CSc1ccc(C(=O)c2ccccc2C(=O)[O-])cc1	ZINC000002580215	368468104	/nfs/dbraw/zinc/46/81/04/368468104.db2.gz	GKBWOXTZNZGNDK-UHFFFAOYSA-N	-1	0	272.325	3.338	40	0		CGABRM
Cc1ccc2cc(C)c(SCC(=O)[O-])nc2c1C	ZINC000004126646	368532353	/nfs/dbraw/zinc/53/23/53/368532353.db2.gz	GBBDLYBPPBMORH-UHFFFAOYSA-N	-1	0	261.346	3.337	40	0		CGABRM
O=C([O-])c1ccccc1Nc1nc2ccccc2o1	ZINC000004522315	368549968	/nfs/dbraw/zinc/54/99/68/368549968.db2.gz	UBBHIBDVUFKRET-UHFFFAOYSA-N	-1	0	254.245	3.270	40	0		CGABRM
O=c1nc(Nc2ccc(Cl)cc2)[n-]nc1-c1ccccc1	ZINC000016777359	368721593	/nfs/dbraw/zinc/72/15/93/368721593.db2.gz	QUBOHGNMRMCSKN-UHFFFAOYSA-N	-1	0	298.733	3.229	40	0		CGABRM
CC(C)c1ccc(S(=O)(=O)[N-]c2cccnc2)cc1	ZINC000013947582	368670708	/nfs/dbraw/zinc/67/07/08/368670708.db2.gz	YKTKUOUVAQFWPU-UHFFFAOYSA-N	-1	0	276.361	3.006	40	0		CGABRM
Cc1ccc(-c2nc3ccccn3c2/C=C/C(=O)[O-])cc1	ZINC000036083271	369007341	/nfs/dbraw/zinc/00/73/41/369007341.db2.gz	GXSAGYCZQBHMCA-MDZDMXLPSA-N	-1	0	278.311	3.408	40	0		CGABRM
CC(=O)Oc1c(Cl)cc(C(C)(C)C)cc1C(=O)[O-]	ZINC000057339570	369535215	/nfs/dbraw/zinc/53/52/15/369535215.db2.gz	ZFRKALDXRMQLSJ-UHFFFAOYSA-N	-1	0	270.712	3.261	40	0		CGABRM
CCc1[n-]n2c(nc(C)cc2=O)c1-c1cccs1	ZINC000100163422	370272510	/nfs/dbraw/zinc/27/25/10/370272510.db2.gz	RARDBKSFPUSBOE-UHFFFAOYSA-N	-1	0	259.334	3.034	40	0		CGABRM
CCC([O-])=C1C(=O)CC(c2c(C)cc(C)cc2C)CC1=O	ZINC000102785162	370311080	/nfs/dbraw/zinc/31/10/80/370311080.db2.gz	NTDZIPFHCDSFPE-UHFFFAOYSA-N	-1	0	286.371	3.223	40	0		CGABRM
O=C([O-])c1ccc(Cn2cnc3cc(F)c(F)cc32)cc1	ZINC000037466230	541863363	/nfs/dbraw/zinc/86/33/63/541863363.db2.gz	SSYABDQBIBDMBF-UHFFFAOYSA-N	-1	0	288.253	3.061	40	0		CGABRM
CC[C@H](Sc1n[nH]c(-c2cccc(Cl)c2)n1)C(=O)[O-]	ZINC000224975781	376289583	/nfs/dbraw/zinc/28/95/83/376289583.db2.gz	GQEDOYVHDLOFDI-VIFPVBQESA-N	-1	0	297.767	3.080	40	0		CGABRM
CCc1ccc(C[C@@H](OCc2ccccc2)C(=O)[O-])cc1	ZINC000225044754	376293749	/nfs/dbraw/zinc/29/37/49/376293749.db2.gz	CPFMKRHIPLTVBB-QGZVFWFLSA-N	-1	0	284.355	3.462	40	0		CGABRM
CC(C)O[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)[O-]	ZINC000225087016	376294694	/nfs/dbraw/zinc/29/46/94/376294694.db2.gz	SUABFTDSCFUIFT-NSHDSACASA-N	-1	0	277.147	3.414	40	0		CGABRM
Cc1cc(Cl)ccc1C[C@@H](OC(C)C)C(=O)[O-]	ZINC000225075999	376295632	/nfs/dbraw/zinc/29/56/32/376295632.db2.gz	IGYPMTBDXBFPTI-GFCCVEGCSA-N	-1	0	256.729	3.069	40	0		CGABRM
Cc1cc(C)c(C[C@@H](OCC(C)C)C(=O)[O-])c(C)c1	ZINC000225137955	376296671	/nfs/dbraw/zinc/29/66/71/376296671.db2.gz	CPIIRKSCNOGYRT-OAHLLOKOSA-N	-1	0	264.365	3.280	40	0		CGABRM
CCOC(=O)C=C([O-])c1c(C)ccc2ccccc21	ZINC000228968209	376455309	/nfs/dbraw/zinc/45/53/09/376455309.db2.gz	XVHKLRVLZIFXNY-UHFFFAOYSA-N	-1	0	256.301	3.284	40	0		CGABRM
Cc1ccc2c(c1)C(C)=CC(C)(C)N2[C@H](C)C(=O)[O-]	ZINC000260624949	377808277	/nfs/dbraw/zinc/80/82/77/377808277.db2.gz	XAANQMAWJXJCIC-GFCCVEGCSA-N	-1	0	259.349	3.470	40	0		CGABRM
O=C([O-])c1cc(=O)c2cc3c(cc2o1)OCc1ccccc1-3	ZINC000001566232	304220532	/nfs/dbraw/zinc/22/05/32/304220532.db2.gz	OIJMHBRMLBKWPG-UHFFFAOYSA-N	-1	0	294.262	3.051	40	0		CGABRM
O=C([O-])c1cc(C(F)(F)F)c2cccc(F)c2n1	ZINC000095101174	304223926	/nfs/dbraw/zinc/22/39/26/304223926.db2.gz	WXWURYFLRKXMTN-UHFFFAOYSA-N	-1	0	259.158	3.091	40	0		CGABRM
O=C([O-])c1cc(C(F)(F)F)nc(Cl)c1Cl	ZINC000098086083	304224026	/nfs/dbraw/zinc/22/40/26/304224026.db2.gz	LYZXAEZUOAUFDZ-UHFFFAOYSA-N	-1	0	259.998	3.105	40	0		CGABRM
O=C([O-])c1ccc2ccc(C(F)(F)F)nc2c1F	ZINC000096171865	304254191	/nfs/dbraw/zinc/25/41/91/304254191.db2.gz	WDWWICGUDOGWCN-UHFFFAOYSA-N	-1	0	259.158	3.091	40	0		CGABRM
CC(C)(C)c1cc(Br)c(O)c(C(=O)[O-])c1	ZINC000001701220	391913611	/nfs/dbraw/zinc/91/36/11/391913611.db2.gz	ZZLUVCAIRRVAHY-UHFFFAOYSA-N	-1	0	273.126	3.150	40	0		CGABRM
COc1ccc(C(=O)[O-])cc1NC(=O)Nc1ccccc1	ZINC000006170657	170180012	/nfs/dbraw/zinc/18/00/12/170180012.db2.gz	JHEWPLCVRNCDEK-UHFFFAOYSA-N	-1	0	286.287	3.037	40	0		CGABRM
O=C([O-])c1ccc(OCc2nc(-c3ccccc3)no2)cc1	ZINC000022120634	171353502	/nfs/dbraw/zinc/35/35/02/171353502.db2.gz	WXNAYRYETPJVRH-UHFFFAOYSA-N	-1	0	296.282	3.014	40	0		CGABRM
CCn1c(CCCC(=O)[O-])nc2cccc(Cl)c21	ZINC000037443428	173212517	/nfs/dbraw/zinc/21/25/17/173212517.db2.gz	ABKITCQVIIPMFT-UHFFFAOYSA-N	-1	0	266.728	3.117	40	0		CGABRM
O=C([O-])c1cc2ccc(Cl)cc2nc1OCC1CC1	ZINC000685937275	544109391	/nfs/dbraw/zinc/10/93/91/544109391.db2.gz	MDBNGWYXBNZEGZ-UHFFFAOYSA-N	-1	0	277.707	3.375	40	0		CGABRM
CCN(Cc1cccc(C(=O)[O-])c1)C(=O)OC(C)(C)C	ZINC000685937229	544109483	/nfs/dbraw/zinc/10/94/83/544109483.db2.gz	OIYADUYCNNNFAO-UHFFFAOYSA-N	-1	0	279.336	3.142	40	0		CGABRM
CCOC(=O)c1cc(-c2ccc(C(=O)[O-])o2)ccc1Cl	ZINC000685937553	544110235	/nfs/dbraw/zinc/11/02/35/544110235.db2.gz	JYUIIPCFMNUORN-UHFFFAOYSA-N	-1	0	294.690	3.475	40	0		CGABRM
CCOc1cc(CNc2cccc(C(=O)[O-])c2)ccc1O	ZINC000036804330	260039932	/nfs/dbraw/zinc/03/99/32/260039932.db2.gz	UVFHRFGDBOVVJB-UHFFFAOYSA-N	-1	0	287.315	3.101	40	0		CGABRM
CCOc1ccc(-c2ccc(C(=O)[O-])c(C)n2)cc1	ZINC000082481771	178052986	/nfs/dbraw/zinc/05/29/86/178052986.db2.gz	QZFWMQPTPAVGAU-UHFFFAOYSA-N	-1	0	257.289	3.154	40	0		CGABRM
O=C([O-])c1cn(C(=O)c2cccs2)c2ccccc12	ZINC000082576423	178117085	/nfs/dbraw/zinc/11/70/85/178117085.db2.gz	KDVHNOOLGGGOLS-UHFFFAOYSA-N	-1	0	271.297	3.090	40	0		CGABRM
O=C([O-])C[C@H](Cc1nc2ccccc2s1)C(F)(F)F	ZINC000256050699	346398948	/nfs/dbraw/zinc/39/89/48/346398948.db2.gz	GEBPVJIXXAIHMT-ZETCQYMHSA-N	-1	0	289.278	3.492	40	0		CGABRM
CCCN(c1cc(Cl)ccc1OC)[C@@H](C)C(=O)[O-]	ZINC000225002372	283308374	/nfs/dbraw/zinc/30/83/74/283308374.db2.gz	CUIIALHXPPTSII-VIFPVBQESA-N	-1	0	271.744	3.038	40	0		CGABRM
CCCN(c1ccccc1Cl)[C@@H](CC)C(=O)[O-]	ZINC000224987956	283308460	/nfs/dbraw/zinc/30/84/60/283308460.db2.gz	BKIKMVHVSYEDLO-NSHDSACASA-N	-1	0	255.745	3.420	40	0		CGABRM
COC(=O)C[C@H](C(=O)[O-])C1c2ccccc2-c2ccccc21	ZINC000085388815	291136665	/nfs/dbraw/zinc/13/66/65/291136665.db2.gz	OGHNHKIYMZIMGI-HNNXBMFYSA-N	-1	0	296.322	3.063	40	0		CGABRM
Cc1ccc(NC(=O)COc2c(C)cccc2C(=O)[O-])cc1	ZINC000217720523	189711468	/nfs/dbraw/zinc/71/14/68/189711468.db2.gz	AWLFFJVIGMIIMS-UHFFFAOYSA-N	-1	0	299.326	3.019	40	0		CGABRM
CCCCn1c(CC(=O)[O-])nc2cccc(Cl)c21	ZINC000225294236	189745915	/nfs/dbraw/zinc/74/59/15/189745915.db2.gz	ZZMDFNYWCGLXLK-UHFFFAOYSA-N	-1	0	266.728	3.117	40	0		CGABRM
CCCC(=O)c1ccc(OCC(=O)[O-])c(Cl)c1Cl	ZINC000002003720	368443973	/nfs/dbraw/zinc/44/39/73/368443973.db2.gz	FQAYODYTZPXLRH-UHFFFAOYSA-N	-1	0	291.130	3.440	40	0		CGABRM
O=C([O-])c1cc(-c2ccccc2)nc2c(O)cccc12	ZINC000001698361	368433183	/nfs/dbraw/zinc/43/31/83/368433183.db2.gz	JRVKMGVIOSRZHR-UHFFFAOYSA-N	-1	0	265.268	3.306	40	0		CGABRM
C[C@@]1(C(=O)[O-])CC1(c1ccccc1)c1ccccc1	ZINC000001709850	368434662	/nfs/dbraw/zinc/43/46/62/368434662.db2.gz	ALTJKGMGSJVUBN-INIZCTEOSA-N	-1	0	252.313	3.467	40	0		CGABRM
O=C([O-])c1ccncc1C(=O)c1csc2ccccc12	ZINC000001726596	368435435	/nfs/dbraw/zinc/43/54/35/368435435.db2.gz	MZLHUXHLRCLIKS-UHFFFAOYSA-N	-1	0	283.308	3.226	40	0		CGABRM
CSC(=S)NN[C@@H](C)c1nccc2ccccc21	ZINC000008648341	368573288	/nfs/dbraw/zinc/57/32/88/368573288.db2.gz	VDGOHNURHQMEAK-VIFPVBQESA-N	-1	0	277.418	3.038	40	0		CGABRM
Cc1ccc(C(=O)Nc2cc(C(=O)[O-])ccc2C)cc1	ZINC000010773118	368586335	/nfs/dbraw/zinc/58/63/35/368586335.db2.gz	FOEGMWVUYCHXPN-UHFFFAOYSA-N	-1	0	269.300	3.254	40	0		CGABRM
CC(C)=C1[C@@H]2CC[C@H]1[C@@H](C(=O)Nc1ccccc1)[C@@H]2C(=O)[O-]	ZINC000017024787	368726467	/nfs/dbraw/zinc/72/64/67/368726467.db2.gz	KTQBFBSUNUMGLO-OCVGTWLNSA-N	-1	0	299.370	3.318	40	0		CGABRM
COc1ccc(C(=O)[O-])cc1OCc1cccc(F)c1	ZINC000019806604	368767220	/nfs/dbraw/zinc/76/72/20/368767220.db2.gz	VQODEZYFZXJMHS-UHFFFAOYSA-N	-1	0	276.263	3.112	40	0		CGABRM
Cc1ccc2[nH]c(-c3ccc(C(=O)[O-])cc3)nc2c1	ZINC000034017773	368971016	/nfs/dbraw/zinc/97/10/16/368971016.db2.gz	LSKRHTPRECHXGN-UHFFFAOYSA-N	-1	0	252.273	3.237	40	0		CGABRM
Cc1onc(-c2ccc(OC(C)C)cc2)c1C(=O)[O-]	ZINC000070544106	369803738	/nfs/dbraw/zinc/80/37/38/369803738.db2.gz	FSAHLZGJBWLSGH-UHFFFAOYSA-N	-1	0	261.277	3.135	40	0		CGABRM
COc1c(C)cc(C(=O)c2ccccc2C(=O)[O-])cc1C	ZINC000084684351	370014572	/nfs/dbraw/zinc/01/45/72/370014572.db2.gz	JVXLSLRZGPNSHJ-UHFFFAOYSA-N	-1	0	284.311	3.241	40	0		CGABRM
O=C([O-])c1ccccc1C(=O)c1ccc(F)c(Cl)c1	ZINC000084678113	370015410	/nfs/dbraw/zinc/01/54/10/370015410.db2.gz	XIDDKIITGLRNRI-UHFFFAOYSA-N	-1	0	278.666	3.408	40	0		CGABRM
O=C([O-])c1conc1-c1ccc(Cl)c(Cl)c1	ZINC000226099677	376340413	/nfs/dbraw/zinc/34/04/13/376340413.db2.gz	LKDYBLRAIHVBIW-UHFFFAOYSA-N	-1	0	258.060	3.347	40	0		CGABRM
CC[C@H](C(=O)[O-])N(C)c1cc(Cl)cc(Cl)c1	ZINC000224995573	376292102	/nfs/dbraw/zinc/29/21/02/376292102.db2.gz	LCDJPLRYODHUMM-SNVBAGLBSA-N	-1	0	262.136	3.293	40	0		CGABRM
CCCCO[C@@H](Cc1cccc(C)c1C)C(=O)[O-]	ZINC000225024471	376293121	/nfs/dbraw/zinc/29/31/21/376293121.db2.gz	YQRGKZLCEQVWRG-AWEZNQCLSA-N	-1	0	250.338	3.116	40	0		CGABRM
Cc1cccc(C)c1C[C@H](Oc1ccccc1)C(=O)[O-]	ZINC000225030292	376293130	/nfs/dbraw/zinc/29/31/30/376293130.db2.gz	TYYWBQKPVOSJES-INIZCTEOSA-N	-1	0	270.328	3.378	40	0		CGABRM
CCCO[C@H](Cc1cc(Cl)cc(Cl)c1)C(=O)[O-]	ZINC000225092502	376295340	/nfs/dbraw/zinc/29/53/40/376295340.db2.gz	LALULUJSZZBRDY-LLVKDONJSA-N	-1	0	277.147	3.416	40	0		CGABRM
COc1ccc(C)cc1C[C@@H](Oc1ccccc1)C(=O)[O-]	ZINC000225116970	376295591	/nfs/dbraw/zinc/29/55/91/376295591.db2.gz	NQLTUBLENQVKQV-MRXNPFEDSA-N	-1	0	286.327	3.078	40	0		CGABRM
O=C([O-])[C@H]1CCc2cccc3c2[C@H]1c1ccccc1-3	ZINC000085388762	304196408	/nfs/dbraw/zinc/19/64/08/304196408.db2.gz	RJIPQKDZDJRYGY-HOCLYGCPSA-N	-1	0	250.297	3.446	40	0		CGABRM
O=C([O-])c1ccnc([C@H]2CCCC23SCCS3)c1	ZINC000217630422	304273691	/nfs/dbraw/zinc/27/36/91/304273691.db2.gz	RMSWBVYYIBMKRM-SNVBAGLBSA-N	-1	0	281.402	3.224	40	0		CGABRM
CC[C@@H](C)n1c2ccc(Cl)cc2nc1[C@H](O)CC(=O)[O-]	ZINC000064874429	392144024	/nfs/dbraw/zinc/14/40/24/392144024.db2.gz	QONQHZIZMVBTQO-PRHODGIISA-N	-1	0	296.754	3.169	40	0		CGABRM
C/C(=C\c1ccc(-c2cccc(C(=O)[O-])c2)o1)[N+](=O)[O-]	ZINC000005369328	170090149	/nfs/dbraw/zinc/09/01/49/170090149.db2.gz	PLERDRUSXDQTSX-VQHVLOKHSA-N	-1	0	273.244	3.282	40	0		CGABRM
COc1ccccc1-n1[n-]c(-c2ccc(F)cc2)cc1=O	ZINC000009939821	170391454	/nfs/dbraw/zinc/39/14/54/170391454.db2.gz	ULUVPSYJZDVCKU-UHFFFAOYSA-N	-1	0	284.290	3.393	40	0		CGABRM
CN(CCC(=O)[O-])c1ccc(Br)cc1Cl	ZINC000020133783	171021921	/nfs/dbraw/zinc/02/19/21/171021921.db2.gz	VSEQIAVVBWWCFR-UHFFFAOYSA-N	-1	0	292.560	3.013	40	0		CGABRM
O=C([O-])c1cc(NC(=O)c2ccc(F)cc2)ccc1Cl	ZINC000020138160	171025202	/nfs/dbraw/zinc/02/52/02/171025202.db2.gz	RNGTUNQOVFXQPS-UHFFFAOYSA-N	-1	0	293.681	3.430	40	0		CGABRM
CC(C)(C)c1ccc(-c2noc(CCCC(=O)[O-])n2)cc1	ZINC000020269128	171125409	/nfs/dbraw/zinc/12/54/09/171125409.db2.gz	XYHCEIFVNWEOCN-UHFFFAOYSA-N	-1	0	288.347	3.441	40	0		CGABRM
CN(C)c1nc(-c2ccc(Cl)cc2)c(CC(=O)[O-])s1	ZINC000020439167	171203298	/nfs/dbraw/zinc/20/32/98/171203298.db2.gz	AUAJBRVODIVDOW-UHFFFAOYSA-N	-1	0	296.779	3.157	40	0		CGABRM
Cc1ccc([C@H](NC(=O)OCc2ccccc2)C(=O)[O-])cc1	ZINC000039957076	174179031	/nfs/dbraw/zinc/17/90/31/174179031.db2.gz	QSTRMBHVBNCBGJ-HNNXBMFYSA-N	-1	0	299.326	3.047	40	0		CGABRM
O=C([O-])Cc1cccc(-c2nc3ccccc3o2)c1	ZINC000041127587	174489724	/nfs/dbraw/zinc/48/97/24/174489724.db2.gz	ICVYRGCGSBDREZ-UHFFFAOYSA-N	-1	0	253.257	3.122	40	0		CGABRM
CCN1C(=O)c2ccccc2[C@@H](C(=O)[O-])[C@@H]1c1ccccc1	ZINC000049466760	175481250	/nfs/dbraw/zinc/48/12/50/175481250.db2.gz	TXZFOENUILIFRQ-CVEARBPZSA-N	-1	0	295.338	3.072	40	0		CGABRM
CSc1cccc(C(=O)c2ccccc2C(=O)[O-])c1	ZINC000095634509	265305493	/nfs/dbraw/zinc/30/54/93/265305493.db2.gz	FKEWGJOBANBDPT-UHFFFAOYSA-N	-1	0	272.325	3.338	40	0		CGABRM
O=C([O-])c1ccccc1C(=O)c1ccc(Cl)c(F)c1	ZINC000095634050	265305975	/nfs/dbraw/zinc/30/59/75/265305975.db2.gz	WUXLJDWBEDVBTI-UHFFFAOYSA-N	-1	0	278.666	3.408	40	0		CGABRM
COc1ccc(N2N=C(C(=O)[O-])C[C@H]2c2ccccc2)cc1	ZINC000071979089	295157045	/nfs/dbraw/zinc/15/70/45/295157045.db2.gz	IYNRGBGFEBKXMV-INIZCTEOSA-N	-1	0	296.326	3.087	40	0		CGABRM
COc1ccccc1C[C@@H](Oc1cccc(C)c1)C(=O)[O-]	ZINC000225096081	500863232	/nfs/dbraw/zinc/86/32/32/500863232.db2.gz	NWXIUFCZSFONIO-MRXNPFEDSA-N	-1	0	286.327	3.078	40	0		CGABRM
COc1cccc2c1N([C@@H](C)C(=O)[O-])C(C)(C)C=C2C	ZINC000223190895	536959955	/nfs/dbraw/zinc/95/99/55/536959955.db2.gz	PYBMOLJKXVKYFV-NSHDSACASA-N	-1	0	275.348	3.170	40	0		CGABRM
Cc1ccc(-c2nc(C(=O)[O-])nn2-c2ccc(C)cc2)cc1	ZINC000008730800	344875088	/nfs/dbraw/zinc/87/50/88/344875088.db2.gz	SLUPKAZACDFZKB-UHFFFAOYSA-N	-1	0	293.326	3.249	40	0		CGABRM
Cc1cccc(NC=C2SC([O-])=NC2=S)c1	ZINC000618254451	349063471	/nfs/dbraw/zinc/06/34/71/349063471.db2.gz	AFUQAOZXQXSGAS-TWGQIWQCSA-N	-1	0	250.348	3.032	40	0		CGABRM
CCCOc1cc(Cl)c(C(=O)[O-])cc1OCC	ZINC000113408312	186575451	/nfs/dbraw/zinc/57/54/51/186575451.db2.gz	SPNFNYNOHYQPFG-UHFFFAOYSA-N	-1	0	258.701	3.226	40	0		CGABRM
C[C@H](C(=O)[O-])N(C)c1ccccc1Oc1ccccc1	ZINC000225006231	189742935	/nfs/dbraw/zinc/74/29/35/189742935.db2.gz	SVMGBXWKWLUHOS-GFCCVEGCSA-N	-1	0	271.316	3.388	40	0		CGABRM
CCO[C@H](Cc1cccc(Cl)c1Cl)C(=O)[O-]	ZINC000225084175	189743997	/nfs/dbraw/zinc/74/39/97/189743997.db2.gz	YXWADBKKFJYCBG-SECBINFHSA-N	-1	0	263.120	3.026	40	0		CGABRM
O=C([O-])CCc1nc(-c2ccc(Cl)cc2Cl)no1	ZINC000000032509	368272948	/nfs/dbraw/zinc/27/29/48/368272948.db2.gz	KBZVMMABIROFEN-UHFFFAOYSA-N	-1	0	287.102	3.061	40	0		CGABRM
Cc1csc(-c2ccc(C(=O)[O-])c(Cl)n2)c1	ZINC000000350004	368345516	/nfs/dbraw/zinc/34/55/16/368345516.db2.gz	KLKLKSYEFDEPDV-UHFFFAOYSA-N	-1	0	253.710	3.470	40	0		CGABRM
CCO[P@@](C)(=O)[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-]	ZINC000001643292	368426045	/nfs/dbraw/zinc/42/60/45/368426045.db2.gz	VUSTUXNUGXRMHS-ZUOKHONESA-N	-1	0	295.275	3.108	40	0		CGABRM
Cc1ccc(C(=O)c2[nH]c3ccccc3c2C(=O)[O-])cc1	ZINC000002510914	368457756	/nfs/dbraw/zinc/45/77/56/368457756.db2.gz	HRELBIXQISCCSH-UHFFFAOYSA-N	-1	0	279.295	3.406	40	0		CGABRM
Cc1ccc(NC(=O)COc2cccc(C(=O)[O-])c2)c(C)c1	ZINC000013080004	368642612	/nfs/dbraw/zinc/64/26/12/368642612.db2.gz	SLXLIDDGJNVCHK-UHFFFAOYSA-N	-1	0	299.326	3.019	40	0		CGABRM
Cc1cc(C(=O)[O-])ccc1NC(=O)c1ccccc1F	ZINC000013391073	368653334	/nfs/dbraw/zinc/65/33/34/368653334.db2.gz	PULAZTOFRLGSNJ-UHFFFAOYSA-N	-1	0	273.263	3.085	40	0		CGABRM
CC(C)c1nnc(SCc2ccc(C(=O)[O-])cc2)o1	ZINC000020034501	368794579	/nfs/dbraw/zinc/79/45/79/368794579.db2.gz	IDUBAZJCDPQFJV-UHFFFAOYSA-N	-1	0	278.333	3.184	40	0		CGABRM
COc1ccc(-c2nc(C)sc2CC(=O)[O-])cc1Cl	ZINC000036178511	369012737	/nfs/dbraw/zinc/01/27/37/369012737.db2.gz	VGOCPEOVSGKHFW-UHFFFAOYSA-N	-1	0	297.763	3.408	40	0		CGABRM
C[C@H](Nc1ccc(N)cc1C(=O)[O-])c1ccccc1	ZINC000037930213	369126399	/nfs/dbraw/zinc/12/63/99/369126399.db2.gz	OJQLRUUWJWTFJQ-JTQLQIEISA-N	-1	0	256.305	3.140	40	0		CGABRM
O=C([O-])[C@@H]1Cc2c3ccccc3n(-c3ccccc3)c2C1	ZINC000217911494	304151519	/nfs/dbraw/zinc/15/15/19/304151519.db2.gz	STRWWAFTKVVSDH-GFCCVEGCSA-N	-1	0	277.323	3.430	40	0		CGABRM
Nc1cc(C(=O)[O-])cc(Cl)c1NC1CCCCC1	ZINC000070462650	369802679	/nfs/dbraw/zinc/80/26/79/369802679.db2.gz	BOBHKVNCHGCNPJ-UHFFFAOYSA-N	-1	0	268.744	3.365	40	0		CGABRM
Cc1nc(C2=Cc3ccccc3OC2)sc1C(=O)[O-]	ZINC000072228349	369817568	/nfs/dbraw/zinc/81/75/68/369817568.db2.gz	ISHOJGGVAGRIAX-UHFFFAOYSA-N	-1	0	273.313	3.083	40	0		CGABRM
O=C([O-])CCc1cc(Cl)cc(Br)c1	ZINC000084629742	370013849	/nfs/dbraw/zinc/01/38/49/370013849.db2.gz	WKUXOAJTTWPIQM-UHFFFAOYSA-N	-1	0	263.518	3.120	40	0		CGABRM
C[Si](C)(C)c1cc(Cl)c(Cl)c(C(=O)[O-])c1	ZINC000196206363	376119627	/nfs/dbraw/zinc/11/96/27/376119627.db2.gz	LTTLTZOZMHKNNW-UHFFFAOYSA-N	-1	0	263.196	3.237	40	0		CGABRM
C[C@H]1CCCCN1C(=O)C[C@@H](CC(=O)[O-])c1ccccc1	ZINC000217798539	376179799	/nfs/dbraw/zinc/17/97/99/376179799.db2.gz	XIQNVGUALWSPTA-ZFWWWQNUSA-N	-1	0	289.375	3.036	40	0		CGABRM
Cc1nc(OCc2ccc(Cl)cc2)c(C(=O)[O-])s1	ZINC000218268714	376186403	/nfs/dbraw/zinc/18/64/03/376186403.db2.gz	AOQPGJMJUGBLHU-UHFFFAOYSA-N	-1	0	283.736	3.382	40	0		CGABRM
CCCn1c(CCc2ccccc2)ccc1C(=O)[O-]	ZINC000226028322	376339257	/nfs/dbraw/zinc/33/92/57/376339257.db2.gz	WJUCHMCNVIZXAT-UHFFFAOYSA-N	-1	0	257.333	3.382	40	0		CGABRM
CC[C@@H](C(=O)[O-])N(CC)c1ccc(C)c(Cl)c1	ZINC000224993141	376291540	/nfs/dbraw/zinc/29/15/40/376291540.db2.gz	VHPYWRUYCRBXKB-LBPRGKRZSA-N	-1	0	255.745	3.338	40	0		CGABRM
CC[C@H](C(=O)[O-])N(C)c1cccc(C(F)(F)F)c1	ZINC000224996233	376292034	/nfs/dbraw/zinc/29/20/34/376292034.db2.gz	RSFDSUXMWJESTL-SNVBAGLBSA-N	-1	0	261.243	3.005	40	0		CGABRM
CCCO[C@H](Cc1ccc(Cl)c(Cl)c1)C(=O)[O-]	ZINC000225089633	376295214	/nfs/dbraw/zinc/29/52/14/376295214.db2.gz	VMCSQDFGNSYFKQ-LLVKDONJSA-N	-1	0	277.147	3.416	40	0		CGABRM
CO[C@@H](Cc1ccccc1Oc1ccccc1)C(=O)[O-]	ZINC000225140128	376296961	/nfs/dbraw/zinc/29/69/61/376296961.db2.gz	LVTSDRVUOGGEGY-HNNXBMFYSA-N	-1	0	272.300	3.121	40	0		CGABRM
O=C([O-])c1csc(=Nc2ccccc2)n1-c1ccccc1	ZINC000242425523	304281824	/nfs/dbraw/zinc/28/18/24/304281824.db2.gz	BNDTVUDJTUWUAT-UHFFFAOYSA-N	-1	0	296.351	3.469	40	0		CGABRM
CCCOc1ccc(/C=C/C(=O)[O-])cc1Br	ZINC000011957072	170462045	/nfs/dbraw/zinc/46/20/45/170462045.db2.gz	OJEAUETZGKWFBK-GQCTYLIASA-N	-1	0	285.137	3.336	40	0		CGABRM
CCCC(=O)Nc1ccc2sc(C(=O)[O-])cc2c1	ZINC000020136071	171023416	/nfs/dbraw/zinc/02/34/16/171023416.db2.gz	CPOYFQXCYXECCZ-UHFFFAOYSA-N	-1	0	263.318	3.338	40	0		CGABRM
O=C([O-])c1cc(OC(F)(F)F)ccc1OC(F)(F)F	ZINC000039953648	174178059	/nfs/dbraw/zinc/17/80/59/174178059.db2.gz	LJLZKVYNUPIIAO-UHFFFAOYSA-N	-1	0	290.115	3.182	40	0		CGABRM
C/C(=C\c1cc(Br)cc(Cl)c1[O-])CO	ZINC000040545664	174324666	/nfs/dbraw/zinc/32/46/66/174324666.db2.gz	LYNNFJLUPFNZPA-QHHAFSJGSA-N	-1	0	277.545	3.204	40	0		CGABRM
CCOc1cnc2cccc(Br)c2c1C(=O)[O-]	ZINC000685937614	544110129	/nfs/dbraw/zinc/11/01/29/544110129.db2.gz	UBSCOTNHPNAJCP-UHFFFAOYSA-N	-1	0	296.120	3.094	40	0		CGABRM
O=C(c1ccccc1)c1cc(F)c(Cl)cc1[O-]	ZINC000071619023	260273424	/nfs/dbraw/zinc/27/34/24/260273424.db2.gz	DDHMCCRLAXGXQJ-UHFFFAOYSA-N	-1	0	250.656	3.416	40	0		CGABRM
O=C([O-])c1cc(OCc2ccccc2F)cc(Cl)c1O	ZINC000216846405	262341400	/nfs/dbraw/zinc/34/14/00/262341400.db2.gz	QVHPPTKGOGDJDK-UHFFFAOYSA-N	-1	0	296.681	3.462	40	0		CGABRM
CC(C)(C)OC(=O)N1CCC[C@@H]1c1ccc(C(=O)[O-])cc1	ZINC000035571232	278391836	/nfs/dbraw/zinc/39/18/36/278391836.db2.gz	PPLCFZBVANBKEC-CYBMUJFWSA-N	-1	0	291.347	3.457	40	0		CGABRM
CC(C)(C)OC(=O)N1CC[C@@H](C(=O)[O-])[C@@H]1c1ccccc1	ZINC000085344315	278404345	/nfs/dbraw/zinc/40/43/45/278404345.db2.gz	JNMGJNQZIAVFJE-OLZOCXBDSA-N	-1	0	291.347	3.069	40	0		CGABRM
CC1=Nc2ccc3cc(S(=O)(=O)[O-])ccc3c2C1(C)C	ZINC000095630400	281704041	/nfs/dbraw/zinc/70/40/41/281704041.db2.gz	FARITYWNMPFIJN-UHFFFAOYSA-N	-1	0	289.356	3.470	40	0		CGABRM
CCc1ccc2nc3c(c(C(=O)[O-])c2c1)CCCC3	ZINC000019927563	288576032	/nfs/dbraw/zinc/57/60/32/288576032.db2.gz	LREHIHJRXJYGJN-UHFFFAOYSA-N	-1	0	255.317	3.374	40	0		CGABRM
COc1ccc(-c2nc3cc(C(=O)[O-])ccc3o2)cc1	ZINC000020222864	295049149	/nfs/dbraw/zinc/04/91/49/295049149.db2.gz	QCVSMEQCBLBIJK-UHFFFAOYSA-N	-1	0	269.256	3.202	40	0		CGABRM
Cc1cc(Br)cc(C(=O)[O-])c1OC(C)C	ZINC000165608146	301069917	/nfs/dbraw/zinc/06/99/17/301069917.db2.gz	VUPZGPMJRXYDBY-UHFFFAOYSA-N	-1	0	273.126	3.243	40	0		CGABRM
Cc1cc(C=O)c(Br)c(Br)c1[O-]	ZINC000000157378	301266333	/nfs/dbraw/zinc/26/63/33/301266333.db2.gz	BMHLLSXBHLFJGB-UHFFFAOYSA-N	-1	0	293.942	3.038	40	0		CGABRM
Cc1[n-]n2c(nc(C)c(C)c2=O)c1-c1cccs1	ZINC000100163339	302807512	/nfs/dbraw/zinc/80/75/12/302807512.db2.gz	UBNLHPZYUILJSA-UHFFFAOYSA-N	-1	0	259.334	3.089	40	0		CGABRM
Cc1nn(-c2cccc(Cl)c2C)c(C)c1CC(=O)[O-]	ZINC000057575885	527535969	/nfs/dbraw/zinc/53/59/69/527535969.db2.gz	KXVKVSPYFZZNRL-UHFFFAOYSA-N	-1	0	278.739	3.078	40	0		CGABRM
CCc1ccc(-n2cc(C(=O)[O-])c3ccccc3c2=O)cc1	ZINC000062591963	623249405	/nfs/dbraw/zinc/24/94/05/623249405.db2.gz	XHKGHEJJRFIDAY-UHFFFAOYSA-N	-1	0	293.322	3.251	40	0		CGABRM
O=C([O-])[C@@H]1C[C@@H]1c1ccccc1OCCC(F)(F)F	ZINC000408715876	230408534	/nfs/dbraw/zinc/40/85/34/230408534.db2.gz	GCOWAJMMDDLBLI-NXEZZACHSA-N	-1	0	274.238	3.206	40	0		CGABRM
CCc1ccc(/N=C/c2ccccc2OCC(=O)[O-])cc1	ZINC000008085076	344871015	/nfs/dbraw/zinc/87/10/15/344871015.db2.gz	TXJQBXFFMRNZIH-WOJGMQOQSA-N	-1	0	283.327	3.463	40	0		CGABRM
Cc1ccccc1/N=C/c1ccccc1OCC(=O)[O-]	ZINC000008570924	344874126	/nfs/dbraw/zinc/87/41/26/344874126.db2.gz	WGRFXOGDJLDFAB-LICLKQGHSA-N	-1	0	269.300	3.209	40	0		CGABRM
O=C([O-])C1=NN(c2ccc(F)cc2)[C@H](c2ccccc2)C1	ZINC000071979097	304036567	/nfs/dbraw/zinc/03/65/67/304036567.db2.gz	UXDQLYJLYPICLF-HNNXBMFYSA-N	-1	0	284.290	3.218	40	0		CGABRM
Cc1cccc(O[C@@H](Cc2ccc(F)cc2)C(=O)[O-])c1	ZINC000225053294	189743543	/nfs/dbraw/zinc/74/35/43/189743543.db2.gz	JTQWSFLZJYDRSY-HNNXBMFYSA-N	-1	0	274.291	3.209	40	0		CGABRM
C[C@](O)(C1=CCCCC1)[C@H](C(=O)[O-])c1ccccc1	ZINC000001746955	368436709	/nfs/dbraw/zinc/43/67/09/368436709.db2.gz	GNCCBBXFPCKCJY-HOCLYGCPSA-N	-1	0	260.333	3.106	40	0		CGABRM
CC(C)(C)OC(=O)Nc1c(Cl)cccc1C(=O)[O-]	ZINC000002582909	368467940	/nfs/dbraw/zinc/46/79/40/368467940.db2.gz	MCTIHFBNQFRARW-UHFFFAOYSA-N	-1	0	271.700	3.385	40	0		CGABRM
CCOC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)[O-]	ZINC000028443473	368886737	/nfs/dbraw/zinc/88/67/37/368886737.db2.gz	PRRRCAVPRLKKRJ-UHFFFAOYSA-N	-1	0	278.091	3.260	40	0		CGABRM
COc1ccc(CCc2cccc(OC)c2C(=O)[O-])cc1	ZINC000035973519	369005289	/nfs/dbraw/zinc/00/52/89/369005289.db2.gz	LPBKBJJVBZXOPQ-UHFFFAOYSA-N	-1	0	286.327	3.187	40	0		CGABRM
CC(C)Sc1ncc(C(=O)[O-])c(Nc2ccccc2)n1	ZINC000049469687	369404282	/nfs/dbraw/zinc/40/42/82/369404282.db2.gz	XGCXUQIXFOJGBL-UHFFFAOYSA-N	-1	0	289.360	3.419	40	0		CGABRM
COc1c(Br)cc(C(C)(C)C)cc1C(=O)[O-]	ZINC000057339102	369534908	/nfs/dbraw/zinc/53/49/08/369534908.db2.gz	INRIKFUPYBAMQX-UHFFFAOYSA-N	-1	0	287.153	3.453	40	0		CGABRM
O=C([O-])CCO[C@H](c1ccccc1Cl)C(F)(F)F	ZINC000095096467	370176605	/nfs/dbraw/zinc/17/66/05/370176605.db2.gz	XCZGCCCTOGPEOH-SNVBAGLBSA-N	-1	0	282.645	3.435	40	0		CGABRM
O=C([O-])c1cc(Cl)c(OCc2cccc(F)c2)cc1O	ZINC000216933831	376170042	/nfs/dbraw/zinc/17/00/42/376170042.db2.gz	IHBFMEHIKROWNU-UHFFFAOYSA-N	-1	0	296.681	3.462	40	0		CGABRM
Cc1ccc([C@H]2C[C@@]23C(=O)Nc2ccc(C(=O)[O-])cc23)cc1	ZINC000217477792	376175248	/nfs/dbraw/zinc/17/52/48/376175248.db2.gz	UTZMVLOFPLAMAF-KDOFPFPSSA-N	-1	0	293.322	3.071	40	0		CGABRM
Cc1ccccc1C[C@H](Oc1ccccc1C)C(=O)[O-]	ZINC000225014685	376291615	/nfs/dbraw/zinc/29/16/15/376291615.db2.gz	HEHVMXVHJJSVRG-INIZCTEOSA-N	-1	0	270.328	3.378	40	0		CGABRM
COc1ccc(O[C@H](Cc2ccc(C)cc2)C(=O)[O-])cc1	ZINC000225020788	376293576	/nfs/dbraw/zinc/29/35/76/376293576.db2.gz	FOXDROJRSULZSQ-MRXNPFEDSA-N	-1	0	286.327	3.078	40	0		CGABRM
CCCCO[C@H](Cc1ccccc1CC)C(=O)[O-]	ZINC000225041844	376293671	/nfs/dbraw/zinc/29/36/71/376293671.db2.gz	FFWFDKGTWWLDGZ-CQSZACIVSA-N	-1	0	250.338	3.061	40	0		CGABRM
CCO[C@@H](Cc1cc(Cl)cc(Cl)c1)C(=O)[O-]	ZINC000225092370	376295329	/nfs/dbraw/zinc/29/53/29/376295329.db2.gz	CNSBXWYPDSYQFI-JTQLQIEISA-N	-1	0	263.120	3.026	40	0		CGABRM
Cc1cc2c(cc1C)N(CC(=O)[O-])C(C)(C)C[C@H]2C	ZINC000260619395	377808627	/nfs/dbraw/zinc/80/86/27/377808627.db2.gz	KTUJURUJFLVNLV-GFCCVEGCSA-N	-1	0	261.365	3.480	40	0		CGABRM
Cc1cccc(C(=O)N[C@@](C)(CC(=O)[O-])C(C)C)c1Cl	ZINC000262838200	377909768	/nfs/dbraw/zinc/90/97/68/377909768.db2.gz	CTOUHRDXXIQUCR-HNNXBMFYSA-N	-1	0	297.782	3.268	40	0		CGABRM
O=C([O-])[C@@H]1CCC(F)(F)C[C@H]1OCc1ccccc1	ZINC000575440809	377912679	/nfs/dbraw/zinc/91/26/79/377912679.db2.gz	HOVQTAVMLVGBLU-VXGBXAGGSA-N	-1	0	270.275	3.092	40	0		CGABRM
Cc1ccc(NC(=O)c2cccc(/C=C/C(=O)[O-])c2)cc1	ZINC000000035248	169511772	/nfs/dbraw/zinc/51/17/72/169511772.db2.gz	ALZSTRUHTPOHAL-JXMROGBWSA-N	-1	0	281.311	3.345	40	0		CGABRM
CC(=O)C(Cc1ccc(Cl)nc1)=C([O-])c1ccccc1	ZINC000408732659	380021963	/nfs/dbraw/zinc/02/19/63/380021963.db2.gz	TXRXYEUFYHJTPJ-CQSZACIVSA-N	-1	0	287.746	3.366	40	0		CGABRM
CCc1noc2nc(-c3ccc(OC)cc3)cc(C(=O)[O-])c12	ZINC000062710656	256724033	/nfs/dbraw/zinc/72/40/33/256724033.db2.gz	ILMJJCIIFKZWFH-UHFFFAOYSA-N	-1	0	298.298	3.159	40	0		CGABRM
O=C([O-])Cc1nc(-c2ccc(Br)cc2)cs1	ZINC000032179884	391966514	/nfs/dbraw/zinc/96/65/14/391966514.db2.gz	ONUKYWOUDYVOGK-UHFFFAOYSA-N	-1	0	298.161	3.200	40	0		CGABRM
CC(C)COc1cc(C(=O)[O-])sc1Br	ZINC000096510790	392257436	/nfs/dbraw/zinc/25/74/36/392257436.db2.gz	PQZDHCLDURNULX-UHFFFAOYSA-N	-1	0	279.155	3.244	40	0		CGABRM
O=[P@@]([O-])(OCCc1ccccc1)Oc1ccccc1O	ZINC000006575001	170214908	/nfs/dbraw/zinc/21/49/08/170214908.db2.gz	JRUUDBTWPAKJTH-UHFFFAOYSA-N	-1	0	294.243	3.131	40	0		CGABRM
CCn1c(CCC(=O)[O-])nc2cc(C(F)(F)F)ccc21	ZINC000009238109	170367906	/nfs/dbraw/zinc/36/79/06/170367906.db2.gz	VGIDVUPCMDHHLS-UHFFFAOYSA-N	-1	0	286.253	3.092	40	0		CGABRM
Cc1ccc(C(=O)[O-])cc1NC(=O)COc1ccccc1C	ZINC000013169745	170538345	/nfs/dbraw/zinc/53/83/45/170538345.db2.gz	MLBLEWFEYHSZLI-UHFFFAOYSA-N	-1	0	299.326	3.019	40	0		CGABRM
CCOc1cc(/C=C/C(=O)[O-])ccc1O[C@@H](C)CC	ZINC000020526711	171239667	/nfs/dbraw/zinc/23/96/67/171239667.db2.gz	VSHLUTPRFAXELB-DJYGCBNOSA-N	-1	0	264.321	3.360	40	0		CGABRM
Cc1nn(-c2ccc(C)c(Cl)c2)c(C)c1CCC(=O)[O-]	ZINC000022220732	171377730	/nfs/dbraw/zinc/37/77/30/171377730.db2.gz	XYXIKQKEQZWYHE-UHFFFAOYSA-N	-1	0	292.766	3.468	40	0		CGABRM
O=C([O-])Cc1cc(OC(F)(F)C(F)F)ccc1Cl	ZINC000072265788	176352118	/nfs/dbraw/zinc/35/21/18/176352118.db2.gz	IJXOSEQMWPZYJE-UHFFFAOYSA-N	-1	0	286.608	3.204	40	0		CGABRM
O=C([O-])CCCc1cc(Cl)ccc1OC(F)F	ZINC000078406391	177338755	/nfs/dbraw/zinc/33/87/55/177338755.db2.gz	CJRDJHHFAVYFJT-UHFFFAOYSA-N	-1	0	264.655	3.349	40	0		CGABRM
CCC(=O)Nc1ccc(OC)c(-c2ccc(C(=O)[O-])o2)c1	ZINC000226352511	416521735	/nfs/dbraw/zinc/52/17/35/416521735.db2.gz	NNCUXDLMBFXMFM-UHFFFAOYSA-N	-1	0	289.287	3.002	40	0		CGABRM
Cc1ccc(F)cc1C(=O)c1ccccc1C(=O)[O-]	ZINC000095634397	265305333	/nfs/dbraw/zinc/30/53/33/265305333.db2.gz	UQNMPXUKXSUACF-UHFFFAOYSA-N	-1	0	258.248	3.063	40	0		CGABRM
CC(=O)c1c([O-])cc(C)n(-c2ccc(C(C)C)cc2)c1=O	ZINC000016769716	277102811	/nfs/dbraw/zinc/10/28/11/277102811.db2.gz	ZHZYILPNFLKCOT-UHFFFAOYSA-N	-1	0	285.343	3.178	40	0		CGABRM
CC(=O)C1=C([O-])c2ccccc2C[C@H]1c1ccccc1	ZINC000024717844	278225820	/nfs/dbraw/zinc/22/58/20/278225820.db2.gz	WQZRBTLIEQUHRL-IRXDYDNUSA-N	-1	0	264.324	3.414	40	0		CGABRM
CC1(C)C(C(=O)Nc2ccccc2C(=O)[O-])C1(C)C	ZINC000005686067	280886006	/nfs/dbraw/zinc/88/60/06/280886006.db2.gz	XEEMRDSRKSRLAS-UHFFFAOYSA-N	-1	0	261.321	3.006	40	0		CGABRM
COc1ccc(-n2c(C(=O)[O-])cc3ccccc32)cc1	ZINC000082023612	295050693	/nfs/dbraw/zinc/05/06/93/295050693.db2.gz	KBXWLAQHWUNMMX-UHFFFAOYSA-N	-1	0	267.284	3.337	40	0		CGABRM
C[C@@]1(C(=O)c2ccccc2)CC(Cl)=CC[C@H]1C(=O)[O-]	ZINC000001710450	297884593	/nfs/dbraw/zinc/88/45/93/297884593.db2.gz	SIYRMVGXNONEDG-SWLSCSKDSA-N	-1	0	278.735	3.493	40	0		CGABRM
Cc1cc(Br)c(C(=O)[O-])c(Br)c1	ZINC000034354431	301069291	/nfs/dbraw/zinc/06/92/91/301069291.db2.gz	HPEDXYSIHYYYBL-UHFFFAOYSA-N	-1	0	293.942	3.218	40	0		CGABRM
CCCN(c1cccc(Br)c1)[C@H](C)C(=O)[O-]	ZINC000260677609	328006998	/nfs/dbraw/zinc/00/69/98/328006998.db2.gz	IYYHZPJRCWQLBU-SECBINFHSA-N	-1	0	286.169	3.139	40	0		CGABRM
COc1cc(C)c(C[C@H]2SC(=O)[N-]C2=O)cc1C(C)C	ZINC000008333865	344873424	/nfs/dbraw/zinc/87/34/24/344873424.db2.gz	SYPWWTQFKFCFIN-CYBMUJFWSA-N	-1	0	293.388	3.021	40	0		CGABRM
Cc1[n-]n(-c2ccccc2)c(=O)c1Cc1ccco1	ZINC000104882530	186030176	/nfs/dbraw/zinc/03/01/76/186030176.db2.gz	CDZVINNYGDFLIV-UHFFFAOYSA-N	-1	0	254.289	3.070	40	0		CGABRM
O=C([O-])CO[C@H](c1ccc(Cl)cc1)C(F)(F)F	ZINC000095096426	304070339	/nfs/dbraw/zinc/07/03/39/304070339.db2.gz	GSXJLZRIZZQJLW-SECBINFHSA-N	-1	0	268.618	3.045	40	0		CGABRM
COc1cccc(O[C@@H](Cc2cccc(C)c2)C(=O)[O-])c1	ZINC000225018246	189743445	/nfs/dbraw/zinc/74/34/45/189743445.db2.gz	LFPNCWJIVDGFNQ-INIZCTEOSA-N	-1	0	286.327	3.078	40	0		CGABRM
O=C([O-])CCC(=O)c1ccc2c3c1CCC[C@H]3CC2	ZINC000001716003	368434520	/nfs/dbraw/zinc/43/45/20/368434520.db2.gz	IALIBZSTXPKNHT-JTQLQIEISA-N	-1	0	258.317	3.100	40	0		CGABRM
COC(=O)C=C([O-])c1ccc(Oc2ccccc2)cc1	ZINC000004269532	368539238	/nfs/dbraw/zinc/53/92/38/368539238.db2.gz	PEWIJFVUPQVCKD-UHFFFAOYSA-N	-1	0	270.284	3.225	40	0		CGABRM
Cc1ccc(NC(=O)COc2cc(C)ccc2C(=O)[O-])cc1	ZINC000013084377	368642603	/nfs/dbraw/zinc/64/26/03/368642603.db2.gz	LRWPRMWKLLKRDV-UHFFFAOYSA-N	-1	0	299.326	3.019	40	0		CGABRM
Cc1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2)c(C)c1	ZINC000013166520	368646946	/nfs/dbraw/zinc/64/69/46/368646946.db2.gz	MATAECJOPNSIEI-UHFFFAOYSA-N	-1	0	269.300	3.254	40	0		CGABRM
COc1ccccc1N[C@@H](SCC(=O)[O-])c1ccco1	ZINC000016758457	368720883	/nfs/dbraw/zinc/72/08/83/368720883.db2.gz	KDEVGEHMRQTNGC-AWEZNQCLSA-N	-1	0	293.344	3.217	40	0		CGABRM
O=C([O-])CCc1ncc(-c2cccc(Br)c2)o1	ZINC000019277823	368747099	/nfs/dbraw/zinc/74/70/99/368747099.db2.gz	PFVLFDSVFISILV-UHFFFAOYSA-N	-1	0	296.120	3.121	40	0		CGABRM
Cc1cccn2c(/C=C/C(=O)[O-])c(-c3ccccc3)nc12	ZINC000036083281	369007023	/nfs/dbraw/zinc/00/70/23/369007023.db2.gz	SOIMMRSMZUCEAO-MDZDMXLPSA-N	-1	0	278.311	3.408	40	0		CGABRM
Cc1ccc(C)c(Nc2ccc(N)cc2C(=O)[O-])c1	ZINC000037930459	369126308	/nfs/dbraw/zinc/12/63/08/369126308.db2.gz	FHHDEYJFAJDREE-UHFFFAOYSA-N	-1	0	256.305	3.327	40	0		CGABRM
CC(C)(C)OC(=O)n1ccc2cc(C(=O)[O-])ccc21	ZINC000085221673	370016355	/nfs/dbraw/zinc/01/63/55/370016355.db2.gz	UBPWRLQOVJQGSS-UHFFFAOYSA-N	-1	0	261.277	3.123	40	0		CGABRM
O=c1cc(C(F)(F)F)[n-]n1-c1ccc(Cl)cc1	ZINC000100072211	370271623	/nfs/dbraw/zinc/27/16/23/370271623.db2.gz	YPXIRMCADRIBQD-UHFFFAOYSA-N	-1	0	262.618	3.250	40	0		CGABRM
CC(C)(C)OC(=O)NC1(CCC(=O)[O-])CCCCC1	ZINC000101223917	370287949	/nfs/dbraw/zinc/28/79/49/370287949.db2.gz	UANZWVXYAMRWAD-UHFFFAOYSA-N	-1	0	271.357	3.079	40	0		CGABRM
Cc1cccc(O[C@@H](Cc2ccccc2C)C(=O)[O-])c1	ZINC000225014745	376292019	/nfs/dbraw/zinc/29/20/19/376292019.db2.gz	GSECSYNWYAWQMR-INIZCTEOSA-N	-1	0	270.328	3.378	40	0		CGABRM
Cc1cccc(C[C@@H](Oc2ccccc2C)C(=O)[O-])c1	ZINC000225017072	376292293	/nfs/dbraw/zinc/29/22/93/376292293.db2.gz	BHNAZBRIMZBEMT-MRXNPFEDSA-N	-1	0	270.328	3.378	40	0		CGABRM
Cc1ccc(C[C@H](Oc2ccc(C)cc2)C(=O)[O-])cc1	ZINC000225019742	376293310	/nfs/dbraw/zinc/29/33/10/376293310.db2.gz	JITMGTLMSCQYFF-INIZCTEOSA-N	-1	0	270.328	3.378	40	0		CGABRM
Cc1cccc(O[C@H](Cc2ccc(F)cc2)C(=O)[O-])c1	ZINC000225053331	376293541	/nfs/dbraw/zinc/29/35/41/376293541.db2.gz	JTQWSFLZJYDRSY-OAHLLOKOSA-N	-1	0	274.291	3.209	40	0		CGABRM
CCc1ccc(C[C@@H](Oc2ccccc2)C(=O)[O-])cc1	ZINC000225042065	376293800	/nfs/dbraw/zinc/29/38/00/376293800.db2.gz	JKOBKAXCHOPZII-MRXNPFEDSA-N	-1	0	270.328	3.324	40	0		CGABRM
COc1cccc(C[C@@H](Sc2ccccc2)C(=O)[O-])c1	ZINC000225100396	376295028	/nfs/dbraw/zinc/29/50/28/376295028.db2.gz	NFMJSJJMBHJJOF-OAHLLOKOSA-N	-1	0	288.368	3.483	40	0		CGABRM
CCO[C@H](Cc1cc(Cl)cc(Cl)c1)C(=O)[O-]	ZINC000225092406	376295132	/nfs/dbraw/zinc/29/51/32/376295132.db2.gz	CNSBXWYPDSYQFI-SNVBAGLBSA-N	-1	0	263.120	3.026	40	0		CGABRM
CCCCO[C@@H](Cc1c(C)cc(C)cc1C)C(=O)[O-]	ZINC000225137846	376297354	/nfs/dbraw/zinc/29/73/54/376297354.db2.gz	GGCUQOFEJOAYRT-HNNXBMFYSA-N	-1	0	264.365	3.424	40	0		CGABRM
Cc1cccc([N-]S(=O)(=O)c2ccc(F)s2)c1C	ZINC000225386916	376306185	/nfs/dbraw/zinc/30/61/85/376306185.db2.gz	NWBIIBRHQBWOCA-UHFFFAOYSA-N	-1	0	285.365	3.305	40	0		CGABRM
C[C@@H]1CC(C)(C)N(CC(=O)[O-])c2cc(F)ccc21	ZINC000223828148	296286466	/nfs/dbraw/zinc/28/64/66/296286466.db2.gz	YUTBSIQAIXDFIZ-SECBINFHSA-N	-1	0	251.301	3.003	40	0		CGABRM
O=C([O-])c1ccc(-c2nc3cc(Cl)cnc3o2)cc1	ZINC000078407034	304230678	/nfs/dbraw/zinc/23/06/78/304230678.db2.gz	WPONTXFBPMIRSW-UHFFFAOYSA-N	-1	0	274.663	3.241	40	0		CGABRM
O=C([O-])c1cccc2ncc(-c3cccs3)nc21	ZINC000006744192	304266419	/nfs/dbraw/zinc/26/64/19/304266419.db2.gz	HLNJVTZFMCXUMZ-UHFFFAOYSA-N	-1	0	256.286	3.057	40	0		CGABRM
COc1cc(C)cc2c(SCC(=O)[O-])cc(C)nc12	ZINC000064874664	392143817	/nfs/dbraw/zinc/14/38/17/392143817.db2.gz	CUTAUWJQCFKTLP-UHFFFAOYSA-N	-1	0	277.345	3.037	40	0		CGABRM
Cc1ccc2nc(C(F)(F)F)cc(CC(=O)[O-])c2c1	ZINC000096171800	392245077	/nfs/dbraw/zinc/24/50/77/392245077.db2.gz	DCMFIFKJFHHZMM-UHFFFAOYSA-N	-1	0	269.222	3.189	40	0		CGABRM
CC1(C)[C@@H]2CC[C@@H](C2)[C@@H]1OC(=O)c1ccccc1C(=O)[O-]	ZINC000005742278	170135936	/nfs/dbraw/zinc/13/59/36/170135936.db2.gz	AHNVXJGOOCFWKZ-WDMOLILDSA-N	-1	0	288.343	3.366	40	0		CGABRM
Cn1c(C(=O)[O-])cc2c1cccc2OCc1ccccc1	ZINC000008417226	170335592	/nfs/dbraw/zinc/33/55/92/170335592.db2.gz	KHMVUGLKZABSPC-UHFFFAOYSA-N	-1	0	281.311	3.456	40	0		CGABRM
Nc1ccc(SCc2cccc(C(=O)[O-])c2)cc1	ZINC000008702162	170347034	/nfs/dbraw/zinc/34/70/34/170347034.db2.gz	XJEOUECAGCOYIB-UHFFFAOYSA-N	-1	0	259.330	3.259	40	0		CGABRM
O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)c1cc(F)cc(F)c1	ZINC000008715626	170348972	/nfs/dbraw/zinc/34/89/72/170348972.db2.gz	DKEFSAZRLDEJNW-NWDGAFQWSA-N	-1	0	268.259	3.039	40	0		CGABRM
Nc1ccc(-c2ccc(/C=C/C(=O)[O-])o2)c(Cl)c1	ZINC000008729307	170350342	/nfs/dbraw/zinc/35/03/42/170350342.db2.gz	WTDAWUGKNOXMJN-ZZXKWVIFSA-N	-1	0	263.680	3.280	40	0		CGABRM
COc1c(Cl)cc(C(=O)[O-])cc1NC(=O)CC(C)C	ZINC000020136816	171024728	/nfs/dbraw/zinc/02/47/28/171024728.db2.gz	AZAIIPZPUVOIAW-UHFFFAOYSA-N	-1	0	285.727	3.031	40	0		CGABRM
COc1ccc(C(=O)[O-])cc1NC(=O)/C=C/c1ccccc1	ZINC000020145024	171030153	/nfs/dbraw/zinc/03/01/53/171030153.db2.gz	DFXWEHFSGDVUNY-JXMROGBWSA-N	-1	0	297.310	3.045	40	0		CGABRM
CCOc1cccc(C(=O)Nc2ccc(C(=O)[O-])cc2C)c1	ZINC000020177731	171042972	/nfs/dbraw/zinc/04/29/72/171042972.db2.gz	HVUKWCMQAORGOG-UHFFFAOYSA-N	-1	0	299.326	3.344	40	0		CGABRM
O=C([O-])c1cc(NC(=O)c2cc3ccccc3o2)ccc1O	ZINC000020533933	171240425	/nfs/dbraw/zinc/24/04/25/171240425.db2.gz	VMWRAZYEUIOCQV-UHFFFAOYSA-N	-1	0	297.266	3.089	40	0		CGABRM
O=C([O-])c1cc(-c2ccc(F)c(F)c2)ccc1O	ZINC000021984653	171345097	/nfs/dbraw/zinc/34/50/97/171345097.db2.gz	ZVAQJDGJVTVMMO-UHFFFAOYSA-N	-1	0	250.200	3.036	40	0	in-vitro	CGABRM
COc1ccc(C)cc1Nc1ccccc1C(=O)[O-]	ZINC000026469478	171486322	/nfs/dbraw/zinc/48/63/22/171486322.db2.gz	UTBUACJZUUHBJE-UHFFFAOYSA-N	-1	0	257.289	3.445	40	0		CGABRM
C[C@H](NC(=O)c1cccc(C(=O)[O-])c1)C1CCC(F)CC1	ZINC000659224021	418963904	/nfs/dbraw/zinc/96/39/04/418963904.db2.gz	CWILBCRNYWRZRH-IFQILLTASA-N	-1	0	293.338	3.031	40	0		CGABRM
COc1cccc(N2N=C(C(=O)[O-])C[C@@H]2c2ccccc2)c1	ZINC000071979174	295306926	/nfs/dbraw/zinc/30/69/26/295306926.db2.gz	VRFSFLCXVQPVOE-MRXNPFEDSA-N	-1	0	296.326	3.087	40	0		CGABRM
Cc1cc(C)c(C)c([C@@](O)(C(=O)[O-])c2ccccc2)c1C	ZINC000001710987	301181498	/nfs/dbraw/zinc/18/14/98/301181498.db2.gz	BATCRZBPSNQOOU-GOSISDBHSA-N	-1	0	284.355	3.241	40	0		CGABRM
Cc1ccsc1C(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-]	ZINC000095728677	302301688	/nfs/dbraw/zinc/30/16/88/302301688.db2.gz	KLMSHHMWTVTOEW-ZJUUUORDSA-N	-1	0	252.335	3.130	40	0		CGABRM
Cc1noc(C)c1S(=O)(=O)[N-]c1ccccc1C(C)C	ZINC000007056206	302844636	/nfs/dbraw/zinc/84/46/36/302844636.db2.gz	IOGAPLZLOQSFCD-UHFFFAOYSA-N	-1	0	294.376	3.216	40	0		CGABRM
N=C1O[C@@H](c2c(Cl)cccc2Cl)C([O-])=C1O	ZINC000104240025	303232662	/nfs/dbraw/zinc/23/26/62/303232662.db2.gz	CABWFEHIGMUECS-VIFPVBQESA-N	-1	0	260.076	3.370	40	0		CGABRM
O=C([O-])c1ccc2ccc(OC(F)(F)F)cc2c1	ZINC000095611615	185015858	/nfs/dbraw/zinc/01/58/58/185015858.db2.gz	FOWURFBUIURNHJ-UHFFFAOYSA-N	-1	0	256.179	3.437	40	0		CGABRM
O=C1[N-]C(=O)C(=Cc2ccc(-c3ccc(F)cc3)o2)N1	ZINC000059137657	345206661	/nfs/dbraw/zinc/20/66/61/345206661.db2.gz	JUKJEHYHSUEEFH-YRNVUSSQSA-N	-1	0	272.235	3.106	40	0		CGABRM
O=C([O-])C1=Nc2nc3ccccc3n2[C@H](c2ccccc2)C1	ZINC000104347245	304036019	/nfs/dbraw/zinc/03/60/19/304036019.db2.gz	NXPFDXFIVRRUFC-HNNXBMFYSA-N	-1	0	291.310	3.020	40	0		CGABRM
O=C([O-])C1=Nc2nc3ccccc3n2[C@@H](c2ccccc2)C1	ZINC000104347249	304036036	/nfs/dbraw/zinc/03/60/36/304036036.db2.gz	NXPFDXFIVRRUFC-OAHLLOKOSA-N	-1	0	291.310	3.020	40	0		CGABRM
O=C([O-])CO[C@H](c1c(F)cccc1Cl)C(F)(F)F	ZINC000095096446	304070321	/nfs/dbraw/zinc/07/03/21/304070321.db2.gz	OFGRJGBINDFURG-SECBINFHSA-N	-1	0	286.608	3.184	40	0		CGABRM
Cc1cc(C)cc(C[C@H](Oc2ccccc2)C(=O)[O-])c1	ZINC000225035884	189743494	/nfs/dbraw/zinc/74/34/94/189743494.db2.gz	IDAVYZRZLJMPJV-INIZCTEOSA-N	-1	0	270.328	3.378	40	0		CGABRM
CCOc1cc2cc(C(=O)[O-])sc2cc1OCC	ZINC000000004417	368269257	/nfs/dbraw/zinc/26/92/57/368269257.db2.gz	PDUXMHXBBXXJFQ-UHFFFAOYSA-N	-1	0	266.318	3.397	40	0	investigational	CGABRM
Cc1ccccc1OC(=O)Nc1ccc(C(=O)[O-])c(O)c1	ZINC000001619296	368423234	/nfs/dbraw/zinc/42/32/34/368423234.db2.gz	ZSYGZCYOJGCQHH-UHFFFAOYSA-N	-1	0	287.271	3.010	40	0		CGABRM
O=C(c1cc(F)ccc1[O-])c1ccccc1Cl	ZINC000002243255	368450678	/nfs/dbraw/zinc/45/06/78/368450678.db2.gz	GQXKKRRSKDQBST-UHFFFAOYSA-N	-1	0	250.656	3.416	40	0		CGABRM
Cc1cccc(C(=O)Nc2cc(C(=O)[O-])ccc2C)c1	ZINC000013169733	368646531	/nfs/dbraw/zinc/64/65/31/368646531.db2.gz	UDVNWTFKASJXIR-UHFFFAOYSA-N	-1	0	269.300	3.254	40	0		CGABRM
O=c1cc(Cc2ccccc2)[n-]n1-c1nc2ccccc2o1	ZINC000014607854	368683203	/nfs/dbraw/zinc/68/32/03/368683203.db2.gz	ASMIXMAWLYOBKZ-UHFFFAOYSA-N	-1	0	291.310	3.310	40	0		CGABRM
C[C@H](C(=O)[O-])N(C)c1ccc(Oc2ccccc2)cc1	ZINC000224999278	376291634	/nfs/dbraw/zinc/29/16/34/376291634.db2.gz	ULTNDSOSNIBPBI-GFCCVEGCSA-N	-1	0	271.316	3.388	40	0		CGABRM
CCCO[C@H](Cc1cc(Cl)ccc1C)C(=O)[O-]	ZINC000225078662	376295226	/nfs/dbraw/zinc/29/52/26/376295226.db2.gz	JSYUKSDVLMEGMC-GFCCVEGCSA-N	-1	0	256.729	3.071	40	0		CGABRM
O=C([O-])c1cccc(-c2ccc(C(F)F)s2)n1	ZINC000575629277	377923381	/nfs/dbraw/zinc/92/33/81/377923381.db2.gz	OJLHSNFWHAHLFL-UHFFFAOYSA-N	-1	0	255.245	3.446	40	0		CGABRM
O=C([O-])c1c2c(nc3onc(-c4ccccc4)c31)CCC2	ZINC000062710730	304218065	/nfs/dbraw/zinc/21/80/65/304218065.db2.gz	BVIXHXLSZSXJNN-UHFFFAOYSA-N	-1	0	280.283	3.077	40	0		CGABRM
C[C@H](Oc1ccccc1F)c1ccc(C(=O)[O-])o1	ZINC000062702073	256724764	/nfs/dbraw/zinc/72/47/64/256724764.db2.gz	IYEPAILSHGSCNY-QMMMGPOBSA-N	-1	0	250.225	3.257	40	0		CGABRM
CC(C)(C)OC(=O)Nc1cccc2nc(C(=O)[O-])ccc21	ZINC000026460806	391951373	/nfs/dbraw/zinc/95/13/73/391951373.db2.gz	ITKZSQWSEPHGOM-UHFFFAOYSA-N	-1	0	288.303	3.280	40	0		CGABRM
C[C@@H](Oc1ccccc1F)c1ccc(C(=O)[O-])o1	ZINC000062702075	392131923	/nfs/dbraw/zinc/13/19/23/392131923.db2.gz	IYEPAILSHGSCNY-MRVPVSSYSA-N	-1	0	250.225	3.257	40	0		CGABRM
O=C([O-])[C@H]1C[C@@H]1c1ccc(-c2ccc(F)cc2F)o1	ZINC000070452946	392183775	/nfs/dbraw/zinc/18/37/75/392183775.db2.gz	YPYOXQBMIWTSEQ-UWVGGRQHSA-N	-1	0	264.227	3.413	40	0		CGABRM
CC(C)n1c2cc(C(=O)[O-])n(C)c2c2ccccc21	ZINC000106789002	392309124	/nfs/dbraw/zinc/30/91/24/392309124.db2.gz	HYOYIRRUCOCSJT-UHFFFAOYSA-N	-1	0	256.305	3.412	40	0		CGABRM
Cc1c(Cl)ccc2c1ncc(C(=O)[O-])c2N1CCCC1	ZINC000040165617	397610456	/nfs/dbraw/zinc/61/04/56/397610456.db2.gz	RPVFGPNZWDWBPG-UHFFFAOYSA-N	-1	0	290.750	3.495	40	0		CGABRM
O=C([O-])CCCCCNC(=O)Nc1ccc(Cl)cc1	ZINC000005569814	170114450	/nfs/dbraw/zinc/11/44/50/170114450.db2.gz	FGWFIOHXJOLVID-UHFFFAOYSA-N	-1	0	284.743	3.107	40	0		CGABRM
COc1ccc(Cl)cc1Nc1ncccc1C(=O)[O-]	ZINC000005703346	170130775	/nfs/dbraw/zinc/13/07/75/170130775.db2.gz	LSZUEASEZLQRGP-UHFFFAOYSA-N	-1	0	278.695	3.185	40	0		CGABRM
CCCOC(=O)c1ccc(-c2ccc(C(=O)[O-])o2)cc1	ZINC000005952082	170161285	/nfs/dbraw/zinc/16/12/85/170161285.db2.gz	DIKLYSGJAAOUMP-UHFFFAOYSA-N	-1	0	274.272	3.212	40	0		CGABRM
CCC[C@H](C)C(=O)Nc1ccccc1SCC(=O)[O-]	ZINC000008732897	170351485	/nfs/dbraw/zinc/35/14/85/170351485.db2.gz	SAXYUMKTSVVWJW-JTQLQIEISA-N	-1	0	281.377	3.238	40	0		CGABRM
Cc1ccc(NC(=O)COc2cccc(C(=O)[O-])c2)cc1C	ZINC000013079947	170530687	/nfs/dbraw/zinc/53/06/87/170530687.db2.gz	VKCINOWRTXEBIS-UHFFFAOYSA-N	-1	0	299.326	3.019	40	0		CGABRM
Cc1c(NC(=O)c2cccc(F)c2)cccc1C(=O)[O-]	ZINC000020138104	171025696	/nfs/dbraw/zinc/02/56/96/171025696.db2.gz	KMPXKUYVBRQDLA-UHFFFAOYSA-N	-1	0	273.263	3.085	40	0		CGABRM
O=C([O-])CSc1nnc(SCc2ccccc2)s1	ZINC000036724794	172661327	/nfs/dbraw/zinc/66/13/27/172661327.db2.gz	ACXNDMIRFJDWPC-UHFFFAOYSA-N	-1	0	298.414	3.007	40	0		CGABRM
O=C([O-])c1ccc(OCc2nc3ccccc3o2)cc1	ZINC000037207719	173029801	/nfs/dbraw/zinc/02/98/01/173029801.db2.gz	YCSJMGCUMWXWKF-UHFFFAOYSA-N	-1	0	269.256	3.105	40	0		CGABRM
Nc1ccc(Nc2ccccc2Cl)c(C(=O)[O-])c1	ZINC000037930522	173868565	/nfs/dbraw/zinc/86/85/65/173868565.db2.gz	KOSDSFZCISSMBR-UHFFFAOYSA-N	-1	0	262.696	3.364	40	0		CGABRM
O=C([O-])c1ccc(-c2ccnc(Cl)n2)c(Cl)c1	ZINC000038580211	174147936	/nfs/dbraw/zinc/14/79/36/174147936.db2.gz	BUVDOBVZBKYHOH-UHFFFAOYSA-N	-1	0	269.087	3.149	40	0		CGABRM
O=C([O-])c1c[nH]nc1Cc1c(Cl)cccc1Cl	ZINC000071980918	176307648	/nfs/dbraw/zinc/30/76/48/176307648.db2.gz	SHJMRGFKKGXYPQ-UHFFFAOYSA-N	-1	0	271.103	3.006	40	0		CGABRM
CCc1cc(C)n(Cc2ccc(F)cc2)c1C(=O)[O-]	ZINC000078405437	177338645	/nfs/dbraw/zinc/33/86/45/177338645.db2.gz	QQFOAQDNXSYZCD-UHFFFAOYSA-N	-1	0	261.296	3.245	40	0		CGABRM
O=C([O-])c1c(OCC2CC2)cnc2cccc(Cl)c21	ZINC000685936906	544109474	/nfs/dbraw/zinc/10/94/74/544109474.db2.gz	FFEOLBGXYBSTOI-UHFFFAOYSA-N	-1	0	277.707	3.375	40	0		CGABRM
C[C@@H](NC(=O)c1cccc(C(=O)[O-])c1)C1CCC(F)CC1	ZINC000659224020	418964286	/nfs/dbraw/zinc/96/42/86/418964286.db2.gz	CWILBCRNYWRZRH-CDWSIMAYSA-N	-1	0	293.338	3.031	40	0		CGABRM
CC(C)(C(=O)[O-])c1ccccc1C(=O)c1ccccc1	ZINC000005064411	278278527	/nfs/dbraw/zinc/27/85/27/278278527.db2.gz	KBOFILWNFJAUMG-UHFFFAOYSA-N	-1	0	268.312	3.280	40	0		CGABRM
CC(C)Cc1ccc(C(=O)[O-])cc1Br	ZINC000039951876	279240859	/nfs/dbraw/zinc/24/08/59/279240859.db2.gz	MQBZECJSZOHFRP-UHFFFAOYSA-N	-1	0	257.127	3.346	40	0		CGABRM
CN(CCCC(=O)[O-])c1ccc(Cl)cc1Cl	ZINC000224994153	289614404	/nfs/dbraw/zinc/61/44/04/289614404.db2.gz	BURNCVRTHXDIQV-UHFFFAOYSA-N	-1	0	262.136	3.294	40	0		CGABRM
Cc1cccc2c1nc(C(=O)[O-])cc2C(F)(F)F	ZINC000036468474	302067323	/nfs/dbraw/zinc/06/73/23/302067323.db2.gz	BWUIJVNLLIZFGC-UHFFFAOYSA-N	-1	0	255.195	3.260	40	0		CGABRM
Cc1ccc(-c2nc(C(=O)[O-])nn2-c2cccc(C)c2)cc1	ZINC000008730845	344875018	/nfs/dbraw/zinc/87/50/18/344875018.db2.gz	AWRJKCYTALDXSG-UHFFFAOYSA-N	-1	0	293.326	3.249	40	0		CGABRM
Cc1cccc(-c2nc(C(=O)[O-])nn2-c2cccc(C)c2)c1	ZINC000008730846	344875115	/nfs/dbraw/zinc/87/51/15/344875115.db2.gz	HKKCIFUQPABLKW-UHFFFAOYSA-N	-1	0	293.326	3.249	40	0		CGABRM
COc1ccccc1-c1c[nH]c(C(=O)[O-])c1-n1cccc1	ZINC000096516648	345903259	/nfs/dbraw/zinc/90/32/59/345903259.db2.gz	UVKIGDDECZNYJI-UHFFFAOYSA-N	-1	0	282.299	3.179	40	0		CGABRM
CCCCCc1c(C)[n-]n(-c2nc(C)cc(C)n2)c1=O	ZINC000105330135	186052688	/nfs/dbraw/zinc/05/26/88/186052688.db2.gz	MKHXVSWNXBTDFA-CYBMUJFWSA-N	-1	0	274.368	3.012	40	0		CGABRM
O=C([O-])CCc1ccc(C(F)(F)F)cc1Cl	ZINC000107845628	186195255	/nfs/dbraw/zinc/19/52/55/186195255.db2.gz	SYVNFOUKCBVDAK-UHFFFAOYSA-N	-1	0	252.619	3.376	40	0		CGABRM
O=C([O-])CC1(c2cccc(C(F)(F)F)c2)CCOCC1	ZINC000098213975	304044131	/nfs/dbraw/zinc/04/41/31/304044131.db2.gz	QPBFDXGKIUXFEA-UHFFFAOYSA-N	-1	0	288.265	3.228	40	0		CGABRM
CC(C)O[C@@H](Cc1cccc2ccccc21)C(=O)[O-]	ZINC000225049842	189743755	/nfs/dbraw/zinc/74/37/55/189743755.db2.gz	UTHKPMAYJPRAOJ-HNNXBMFYSA-N	-1	0	258.317	3.261	40	0		CGABRM
CCO[C@@H](Cc1ccc(Cl)c(Cl)c1)C(=O)[O-]	ZINC000225089493	189744196	/nfs/dbraw/zinc/74/41/96/189744196.db2.gz	KUYRHTDIBVRQEV-JTQLQIEISA-N	-1	0	263.120	3.026	40	0		CGABRM
CC1(C)[C@H]([C@H](O)Cc2ccccc2)CC[C@]1(C)C(=O)[O-]	ZINC000003846040	368521172	/nfs/dbraw/zinc/52/11/72/368521172.db2.gz	GHNNJPAHRGNFBK-JJRVBVJISA-N	-1	0	276.376	3.117	40	0		CGABRM
C[C@]1(C(=O)[O-])CCC[C@]2(C)c3ccc(O)cc3CC[C@@H]12	ZINC000004742595	368558908	/nfs/dbraw/zinc/55/89/08/368558908.db2.gz	DWHTYLMRWXUGJL-OIISXLGYSA-N	-1	0	274.360	3.487	40	0		CGABRM
CC(=O)C1=C([O-])c2ccccc2C[C@@H]1c1ccccc1	ZINC000024717836	368834128	/nfs/dbraw/zinc/83/41/28/368834128.db2.gz	WQZRBTLIEQUHRL-IAGOWNOFSA-N	-1	0	264.324	3.414	40	0		CGABRM
C[C@H](Nc1ccc(C(=O)[O-])cc1N)c1ccccc1	ZINC000037930215	369126428	/nfs/dbraw/zinc/12/64/28/369126428.db2.gz	XZQDHHVJOYFERG-JTQLQIEISA-N	-1	0	256.305	3.140	40	0		CGABRM
CCc1[n-]n2c(nc(CC)cc2=O)c1-c1ccccc1	ZINC000100163382	370272627	/nfs/dbraw/zinc/27/26/27/370272627.db2.gz	LHRISOITAZHIBH-UHFFFAOYSA-N	-1	0	267.332	3.227	40	0		CGABRM
CCOc1cc(C(=O)[O-])c(Cl)cc1OC(C)C	ZINC000113408310	370472942	/nfs/dbraw/zinc/47/29/42/370472942.db2.gz	QGJWFYWOZXSTPE-UHFFFAOYSA-N	-1	0	258.701	3.224	40	0		CGABRM
CC[C@@H](Sc1n[nH]c(-c2ccc(Cl)cc2)n1)C(=O)[O-]	ZINC000224975949	376290179	/nfs/dbraw/zinc/29/01/79/376290179.db2.gz	DVDAZKGIFMLSFM-SECBINFHSA-N	-1	0	297.767	3.080	40	0		CGABRM
Cc1cc(C)c(C[C@@H](OC(C)C)C(=O)[O-])c(C)c1	ZINC000225137753	376296797	/nfs/dbraw/zinc/29/67/97/376296797.db2.gz	BANYJOIEOPBMBT-CQSZACIVSA-N	-1	0	250.338	3.033	40	0		CGABRM
CSc1ncc(C(=O)[O-])c(Sc2ccccc2)n1	ZINC000225325284	376302601	/nfs/dbraw/zinc/30/26/01/376302601.db2.gz	BVLLMLGXCXKHOV-UHFFFAOYSA-N	-1	0	278.358	3.048	40	0		CGABRM
O=C([O-])/C(=C/c1cccnc1)Sc1nc2ccccc2o1	ZINC000408635362	380019853	/nfs/dbraw/zinc/01/98/53/380019853.db2.gz	ZYGXECGAHIAWLU-JYRVWZFOSA-N	-1	0	298.323	3.441	40	0		CGABRM
CC(=O)OCc1ccc(-c2ccc(C(=O)[O-])cc2)cc1	ZINC000409444187	380031153	/nfs/dbraw/zinc/03/11/53/380031153.db2.gz	QYEKAUWFECPKNU-UHFFFAOYSA-N	-1	0	270.284	3.115	40	0		CGABRM
COc1ccc(Oc2ccc(/C=C/C(=O)[O-])o2)cc1	ZINC000072228414	256702692	/nfs/dbraw/zinc/70/26/92/256702692.db2.gz	JKYGYNGORCLSML-SOFGYWHQSA-N	-1	0	260.245	3.178	40	0		CGABRM
CCOc1cc2sc(C(=O)[O-])cc2cc1OC	ZINC000059524449	256724016	/nfs/dbraw/zinc/72/40/16/256724016.db2.gz	ALNLDDWBWACUIC-UHFFFAOYSA-N	-1	0	252.291	3.007	40	0		CGABRM
COc1ccc(Cl)c2c(SCC(=O)[O-])ccnc12	ZINC000064874713	392143644	/nfs/dbraw/zinc/14/36/44/392143644.db2.gz	BBEJIXIMWOPKEV-UHFFFAOYSA-N	-1	0	283.736	3.074	40	0		CGABRM
COc1cc2c(cc1Cl)nc(C)cc2SCC(=O)[O-]	ZINC000064874607	392144491	/nfs/dbraw/zinc/14/44/91/392144491.db2.gz	XSMYDRJZELAVAV-UHFFFAOYSA-N	-1	0	297.763	3.382	40	0		CGABRM
COc1cc(OCc2ccccc2F)c(C(=O)[O-])s1	ZINC000096510885	392257804	/nfs/dbraw/zinc/25/78/04/392257804.db2.gz	OTSRSLCQKPDBQL-UHFFFAOYSA-N	-1	0	282.292	3.173	40	0		CGABRM
CCc1ccccc1Nc1nc(C)c(C(=O)[O-])s1	ZINC000005445042	170099809	/nfs/dbraw/zinc/09/98/09/170099809.db2.gz	AYEORDPEUGYBNN-UHFFFAOYSA-N	-1	0	262.334	3.456	40	0		CGABRM
CCOC(=O)c1[n-]c(-c2ccccc2)nc1Br	ZINC000005799549	170141640	/nfs/dbraw/zinc/14/16/40/170141640.db2.gz	STOZXXVHWVMNJC-UHFFFAOYSA-N	-1	0	295.136	3.016	40	0		CGABRM
O=Cc1cn(Cc2ccc(C(=O)[O-])cc2)c2ccccc12	ZINC000005927632	170156694	/nfs/dbraw/zinc/15/66/94/170156694.db2.gz	TUOMDPHFFMIAQO-UHFFFAOYSA-N	-1	0	279.295	3.200	40	0		CGABRM
CCOc1cccc(OCc2ccc(C(=O)[O-])cc2)c1	ZINC000008729645	170350250	/nfs/dbraw/zinc/35/02/50/170350250.db2.gz	OYLWKNORBYWIEB-UHFFFAOYSA-N	-1	0	272.300	3.363	40	0		CGABRM
CCCC(=O)Nc1ccccc1S[C@H](CC)C(=O)[O-]	ZINC000008732820	170351739	/nfs/dbraw/zinc/35/17/39/170351739.db2.gz	UKMDINNPMZQVSZ-LLVKDONJSA-N	-1	0	281.377	3.381	40	0		CGABRM
Cc1c(NC(=O)c2ccccc2F)cccc1C(=O)[O-]	ZINC000020137716	171025167	/nfs/dbraw/zinc/02/51/67/171025167.db2.gz	OOGWDCVPLOUPIY-UHFFFAOYSA-N	-1	0	273.263	3.085	40	0		CGABRM
Cc1ccc(C(=O)[O-])cc1NCc1ccccc1F	ZINC000020395741	171181065	/nfs/dbraw/zinc/18/10/65/171181065.db2.gz	MMFJTSPWCYGPQP-UHFFFAOYSA-N	-1	0	259.280	3.444	40	0		CGABRM
CC(C)(C)OC(=O)N(CC(=O)[O-])c1ccc(Cl)cc1	ZINC000021303797	171301830	/nfs/dbraw/zinc/30/18/30/171301830.db2.gz	FPRRDNKPHINQNM-UHFFFAOYSA-N	-1	0	285.727	3.166	40	0		CGABRM
CC[C@@H](NC(=O)[C@H]1CCCC[C@@H]1C(=O)[O-])c1ccccc1	ZINC000035670719	172343398	/nfs/dbraw/zinc/34/33/98/172343398.db2.gz	BLMUMULYRLAEEP-SOUVJXGZSA-N	-1	0	289.375	3.145	40	0		CGABRM
O=C([O-])c1cccnc1SCc1ccc(Cl)nc1	ZINC000037429512	173199869	/nfs/dbraw/zinc/19/98/69/173199869.db2.gz	QVHRFVMCVOBXMO-UHFFFAOYSA-N	-1	0	280.736	3.121	40	0		CGABRM
O=C([O-])c1ccc2c(c1)CCN2C(=O)OCc1ccccc1	ZINC000039156158	174165153	/nfs/dbraw/zinc/16/51/53/174165153.db2.gz	RJLHODUBMAYHIY-UHFFFAOYSA-N	-1	0	297.310	3.084	40	0		CGABRM
CCOc1nc2cc(C(F)(F)F)ccc2cc1C(=O)[O-]	ZINC000685937357	544109278	/nfs/dbraw/zinc/10/92/78/544109278.db2.gz	NSYFOXLBBMLPLB-UHFFFAOYSA-N	-1	0	285.221	3.351	40	0		CGABRM
COC(=O)c1cc(-c2ccc(C(=O)[O-])o2)ccc1Cl	ZINC000685937789	544110050	/nfs/dbraw/zinc/11/00/50/544110050.db2.gz	RLTVEOAWAPKRRQ-UHFFFAOYSA-N	-1	0	280.663	3.085	40	0		CGABRM
COc1c(Br)ccc(C(F)(F)F)c1C(=O)[O-]	ZINC000258834240	294883217	/nfs/dbraw/zinc/88/32/17/294883217.db2.gz	ORDIZVVNXGEOKQ-UHFFFAOYSA-N	-1	0	299.042	3.175	40	0		CGABRM
Cc1cc(C(=O)[O-])ccc1-c1cc2ccccc2oc1=O	ZINC000000489518	301155169	/nfs/dbraw/zinc/15/51/69/301155169.db2.gz	HAQXHGXQVSQCHG-UHFFFAOYSA-N	-1	0	280.279	3.467	40	0		CGABRM
Cc1ccccc1N(C(=O)C(=O)[O-])c1ccccc1C	ZINC000001600354	302103152	/nfs/dbraw/zinc/10/31/52/302103152.db2.gz	BEUNFVIXJFMHBS-UHFFFAOYSA-N	-1	0	269.300	3.053	40	0		CGABRM
[O-]c1cc(Cl)cc(Cl)c1I	ZINC000032914678	326898002	/nfs/dbraw/zinc/89/80/02/326898002.db2.gz	JFCWCJCQGUMESI-UHFFFAOYSA-N	-1	0	288.899	3.304	40	0		CGABRM
CC(C)(C)n1nccc1Nc1ccccc1C(=O)[O-]	ZINC000225813990	333182750	/nfs/dbraw/zinc/18/27/50/333182750.db2.gz	IVKQDDXLEDPGOW-UHFFFAOYSA-N	-1	0	259.309	3.080	40	0		CGABRM
CC[Si](CC)(CC)c1c(OC)ccc(C(=O)[O-])c1OC	ZINC000219799666	529460084	/nfs/dbraw/zinc/46/00/84/529460084.db2.gz	YAGHINAWVDOTDT-UHFFFAOYSA-N	-1	0	296.439	3.118	40	0		CGABRM
O=C([O-])c1nc(-c2ccc(Cl)cc2)n(-c2ccccc2)n1	ZINC000008730830	344875038	/nfs/dbraw/zinc/87/50/38/344875038.db2.gz	ANZIZDBZKJVZKD-UHFFFAOYSA-N	-1	0	299.717	3.286	40	0		CGABRM
CCn1c(=O)c([C@@H](C)Nc2ccco2)c([O-])c2ccccc21	ZINC000104671338	345924317	/nfs/dbraw/zinc/92/43/17/345924317.db2.gz	QVXYERVLXHQBJN-LLVKDONJSA-N	-1	0	298.342	3.493	40	0		CGABRM
CCc1sc(/C=C/C(=O)[O-])cc1Br	ZINC000085394026	179048501	/nfs/dbraw/zinc/04/85/01/179048501.db2.gz	GGFZCYJOOOJTPK-ONEGZZNKSA-N	-1	0	261.140	3.171	40	0		CGABRM
Cc1cccc2c1N([C@@H](C)C(=O)[O-])C(C)(C)C=C2C	ZINC000223190466	136583671	/nfs/dbraw/zinc/58/36/71/136583671.db2.gz	GSDAVKJJVJPAMY-LBPRGKRZSA-N	-1	0	259.349	3.470	40	0		CGABRM
CCCN(CCCC(=O)[O-])c1cccc(Cl)c1	ZINC000224988488	535329063	/nfs/dbraw/zinc/32/90/63/535329063.db2.gz	DZQFHQRSYGXBGW-UHFFFAOYSA-N	-1	0	255.745	3.421	40	0		CGABRM
O=C([O-])Cc1ccc(Br)cc1C(F)(F)F	ZINC000095932678	304088892	/nfs/dbraw/zinc/08/88/92/304088892.db2.gz	SSJXXBLDSUVCST-UHFFFAOYSA-N	-1	0	283.043	3.095	40	0		CGABRM
C[C@@](C(=O)[O-])(C1CCCCC1)C1(O)CCCCC1	ZINC000001593099	368422308	/nfs/dbraw/zinc/42/23/08/368422308.db2.gz	FHOXQGCVIIROOT-AWEZNQCLSA-N	-1	0	254.370	3.353	40	0		CGABRM
Cc1ccc(Nc2ncccc2C(=O)[O-])cc1Cl	ZINC000001329556	368407617	/nfs/dbraw/zinc/40/76/17/368407617.db2.gz	ORUGNFDFIZQBNJ-UHFFFAOYSA-N	-1	0	262.696	3.485	40	0		CGABRM
COc1ccc(C[C@@H](C(=O)[O-])c2ccc(OC)cc2)cc1	ZINC000002048332	368446418	/nfs/dbraw/zinc/44/64/18/368446418.db2.gz	JPBRCFVCHHIZRR-MRXNPFEDSA-N	-1	0	286.327	3.115	40	0		CGABRM
O=C([O-])Cc1ccc(NC(=O)c2ccccc2Cl)cc1	ZINC000012020205	368602612	/nfs/dbraw/zinc/60/26/12/368602612.db2.gz	VKXIVNIVBRQIBW-UHFFFAOYSA-N	-1	0	289.718	3.219	40	0		CGABRM
CCc1nc(-c2cccc(F)c2)c(C(=O)[O-])s1	ZINC000016158385	368709096	/nfs/dbraw/zinc/70/90/96/368709096.db2.gz	JDVGMNSHFMPPDC-UHFFFAOYSA-N	-1	0	251.282	3.210	40	0		CGABRM
CCCCc1ccc(-n2c(C)cc([O-])c(C(C)=O)c2=O)cc1	ZINC000016769730	368721500	/nfs/dbraw/zinc/72/15/00/368721500.db2.gz	FXFRRKZGQYWOTI-UHFFFAOYSA-N	-1	0	299.370	3.397	40	0		CGABRM
CC(C)COc1n[n-]c(=S)n1Cc1ccccc1	ZINC000026505274	368861000	/nfs/dbraw/zinc/86/10/00/368861000.db2.gz	BJJADJMWDQSYNJ-UHFFFAOYSA-N	-1	0	263.366	3.024	40	0		CGABRM
COc1ccc(CNc2cccc(C(=O)[O-])c2)c(OC)c1	ZINC000032134135	368926030	/nfs/dbraw/zinc/92/60/30/368926030.db2.gz	XZNIUNPBNSTVTA-UHFFFAOYSA-N	-1	0	287.315	3.014	40	0		CGABRM
O=C([O-])/C=C/c1cccc(NC(=O)c2ccc(F)cc2)c1	ZINC000049591948	369412451	/nfs/dbraw/zinc/41/24/51/369412451.db2.gz	HISCLYOCEHYLNR-RUDMXATFSA-N	-1	0	285.274	3.176	40	0		CGABRM
CCc1c(C)[n-]n2c1nc(Cc1ccccc1F)cc2=O	ZINC000100776139	370283450	/nfs/dbraw/zinc/28/34/50/370283450.db2.gz	RFDRWVHNLVHURK-UHFFFAOYSA-N	-1	0	285.322	3.036	40	0		CGABRM
COc1cc2c(cc1C(=O)[O-])C(C)=CC(C)(C)N2C	ZINC000223794783	376262724	/nfs/dbraw/zinc/26/27/24/376262724.db2.gz	OHSXAXYIFALSHR-UHFFFAOYSA-N	-1	0	261.321	3.025	40	0		CGABRM
CC[C@@H](C(=O)[O-])N(CC)c1ccc(Br)cc1	ZINC000224990073	376289839	/nfs/dbraw/zinc/28/98/39/376289839.db2.gz	OJAPQGINQUCANF-NSHDSACASA-N	-1	0	286.169	3.139	40	0		CGABRM
CC[C@H](C(=O)[O-])N(CC)c1cccc(C(F)(F)F)c1	ZINC000224996444	376291741	/nfs/dbraw/zinc/29/17/41/376291741.db2.gz	TWAOVPRCXLAQOR-LLVKDONJSA-N	-1	0	275.270	3.395	40	0		CGABRM
C[C@@H](C(=O)[O-])N(C)c1ccccc1Oc1ccccc1	ZINC000225006194	376292287	/nfs/dbraw/zinc/29/22/87/376292287.db2.gz	SVMGBXWKWLUHOS-LBPRGKRZSA-N	-1	0	271.316	3.388	40	0		CGABRM
CCCCO[C@H](Cc1ccccc1Cl)C(=O)[O-]	ZINC000225057674	376292978	/nfs/dbraw/zinc/29/29/78/376292978.db2.gz	NHIIPVIEFFHYQQ-GFCCVEGCSA-N	-1	0	256.729	3.152	40	0		CGABRM
Cc1cc(C)cc(C[C@@H](Oc2ccccc2)C(=O)[O-])c1	ZINC000225035845	376293042	/nfs/dbraw/zinc/29/30/42/376293042.db2.gz	IDAVYZRZLJMPJV-MRXNPFEDSA-N	-1	0	270.328	3.378	40	0		CGABRM
CCCO[C@H](Cc1c(C)cc(C)cc1C)C(=O)[O-]	ZINC000225137700	376296975	/nfs/dbraw/zinc/29/69/75/376296975.db2.gz	MITNJDZVZDYTKP-CQSZACIVSA-N	-1	0	250.338	3.034	40	0		CGABRM
CCOC(=O)c1[n-]c2c(Cl)cccc2c(=O)c1Cl	ZINC000142737558	542095046	/nfs/dbraw/zinc/09/50/46/542095046.db2.gz	SXNHJIGPSNEALX-UHFFFAOYSA-N	-1	0	286.114	3.012	40	0		CGABRM
Nc1ccnn1-c1c([S-])cc(C(F)(F)F)cc1Cl	ZINC000255187888	377740274	/nfs/dbraw/zinc/74/02/74/377740274.db2.gz	HJHCMDCEZNFBAZ-UHFFFAOYSA-N	-1	0	293.701	3.415	40	0		CGABRM
O=C([O-])C[C@@H](Cc1nc2ccccc2o1)C(F)(F)F	ZINC000575425795	377907898	/nfs/dbraw/zinc/90/78/98/377907898.db2.gz	WXBTVRNKXOVKQQ-SSDOTTSWSA-N	-1	0	273.210	3.024	40	0		CGABRM
O=C([O-])c1cccn1-c1cccc(Cl)c1Cl	ZINC000035431544	304272075	/nfs/dbraw/zinc/27/20/75/304272075.db2.gz	LFMAYBKGCVUYOO-UHFFFAOYSA-N	-1	0	256.088	3.482	40	0		CGABRM
O=C([O-])c1cccnc1Nc1ccc(Br)cc1	ZINC000019845052	304272611	/nfs/dbraw/zinc/27/26/11/304272611.db2.gz	FYKZUPUYMSLAEP-UHFFFAOYSA-N	-1	0	293.120	3.286	40	0		CGABRM
C[C@@H](Oc1cc2occc2cc1Br)C(=O)[O-]	ZINC000072219767	256707729	/nfs/dbraw/zinc/70/77/29/256707729.db2.gz	ZMHNTBAILVCRPS-ZCFIWIBFSA-N	-1	0	285.093	3.047	40	0		CGABRM
Cc1cnc2cc(Cl)ccc2c1SCC(=O)[O-]	ZINC000001591881	169720418	/nfs/dbraw/zinc/72/04/18/169720418.db2.gz	PSLQZFKHPIRPMU-UHFFFAOYSA-N	-1	0	267.737	3.373	40	0	in-vitro	CGABRM
O=C([O-])/C=C/c1cn(Cc2ccccc2)nc1-c1ccco1	ZINC000026511298	391951224	/nfs/dbraw/zinc/95/12/24/391951224.db2.gz	KAAAHGUNLVSLOY-CMDGGOBGSA-N	-1	0	294.310	3.289	40	0		CGABRM
CCC[C@H](OC)c1ccc(SCC(=O)[O-])cc1	ZINC000072220265	392201743	/nfs/dbraw/zinc/20/17/43/392201743.db2.gz	JMFNESSVTBURFJ-LBPRGKRZSA-N	-1	0	254.351	3.351	40	0		CGABRM
Cc1cc(C(=O)[O-])cc(C)c1OC(=O)c1ccccc1	ZINC000216726793	392992291	/nfs/dbraw/zinc/99/22/91/392992291.db2.gz	AFTTUWXLXJMFRK-UHFFFAOYSA-N	-1	0	270.284	3.221	40	0		CGABRM
O=C([O-])Cc1ccccc1-c1ccc2[nH]ccc2c1	ZINC000002513028	169797884	/nfs/dbraw/zinc/79/78/84/169797884.db2.gz	CUEJHYHGUMAGBP-UHFFFAOYSA-N	-1	0	251.285	3.462	40	0		CGABRM
CCC(=O)NCCCCCCCCCCC(=O)[O-]	ZINC000005664738	170125576	/nfs/dbraw/zinc/12/55/76/170125576.db2.gz	VHNDNRBXGNSWRW-UHFFFAOYSA-N	-1	0	257.374	3.108	40	0		CGABRM
CCc1cccc(C)c1NC(=O)CCc1n[n-]c(=S)o1	ZINC000006371718	170195348	/nfs/dbraw/zinc/19/53/48/170195348.db2.gz	RJUMRHZXXDWAHO-UHFFFAOYSA-N	-1	0	291.376	3.174	40	0		CGABRM
CC[C@H](Nc1ccc(C)cc1Br)C(=O)[O-]	ZINC000008702774	170347470	/nfs/dbraw/zinc/34/74/70/170347470.db2.gz	OOCPHFPVDCETLS-VIFPVBQESA-N	-1	0	272.142	3.033	40	0		CGABRM
C[C@@H](Sc1ccccc1NC(=O)C(C)(C)C)C(=O)[O-]	ZINC000008732844	170351720	/nfs/dbraw/zinc/35/17/20/170351720.db2.gz	LEMZENBOECCHHZ-SECBINFHSA-N	-1	0	281.377	3.236	40	0		CGABRM
Cc1ccc(C(=O)[O-])cc1NC(=O)c1ccccc1C	ZINC000010772755	170411924	/nfs/dbraw/zinc/41/19/24/170411924.db2.gz	YTQWTKPOKNTDTI-UHFFFAOYSA-N	-1	0	269.300	3.254	40	0		CGABRM
CC(C)Oc1nc2cccc(Cl)c2cc1C(=O)[O-]	ZINC000685937434	544110292	/nfs/dbraw/zinc/11/02/92/544110292.db2.gz	PMTNWNIOGYGQJI-UHFFFAOYSA-N	-1	0	265.696	3.374	40	0		CGABRM
CC(=O)O[C@@H](Cc1ccccc1)[C@H](C(=O)[O-])c1ccccc1	ZINC000001681779	278220252	/nfs/dbraw/zinc/22/02/52/278220252.db2.gz	WJUDITABCJCQBP-DLBZAZTESA-N	-1	0	298.338	3.029	40	0		CGABRM
CC(C)=C1[C@@H]2C=C[C@H]1[C@H](C(=O)[O-])[C@@H]2C(=O)Nc1ccccc1	ZINC000004954409	278656920	/nfs/dbraw/zinc/65/69/20/278656920.db2.gz	VBKXOMDYNGQWFA-XNISGKROSA-N	-1	0	297.354	3.094	40	0		CGABRM
CC(C)C1(C(=O)[O-])CCC2(CC1)SCCS2	ZINC000217635845	278697232	/nfs/dbraw/zinc/69/72/32/278697232.db2.gz	OQHVNFJKQSRFCK-UHFFFAOYSA-N	-1	0	260.424	3.464	40	0		CGABRM
C[C@@]1(C(=O)c2ccccc2)CC(Cl)=CC[C@@H]1C(=O)[O-]	ZINC000001710452	297884607	/nfs/dbraw/zinc/88/46/07/297884607.db2.gz	SIYRMVGXNONEDG-IUODEOHRSA-N	-1	0	278.735	3.493	40	0		CGABRM
C[C@]1(C(=O)[O-])CCC[C@]2(C)c3ccc(O)cc3CC[C@H]12	ZINC000014506151	300780095	/nfs/dbraw/zinc/78/00/95/300780095.db2.gz	DWHTYLMRWXUGJL-UAGQMJEPSA-N	-1	0	274.360	3.487	40	0		CGABRM
CCCN(c1cccc(Cl)c1C)[C@H](C)C(=O)[O-]	ZINC000260679414	328007075	/nfs/dbraw/zinc/00/70/75/328007075.db2.gz	LYKPUYREZPUKEI-SNVBAGLBSA-N	-1	0	255.745	3.338	40	0		CGABRM
CC[C@@H](Oc1ccc(/C=C/c2ccccc2)nc1)C(=O)[O-]	ZINC000256054989	346399381	/nfs/dbraw/zinc/39/93/81/346399381.db2.gz	YREGPIFOONUKCP-ROJDOSBLSA-N	-1	0	283.327	3.494	40	0		CGABRM
O=C1[N-]C(=S)C(=CNc2ccc(Cl)cc2)S1	ZINC000618254745	349063814	/nfs/dbraw/zinc/06/38/14/349063814.db2.gz	HSMPGVJRHNUKHC-YVMONPNESA-N	-1	0	270.766	3.377	40	0		CGABRM
Cc1ccc(O[C@@H](Cc2ccccc2)C(=O)[O-])cc1	ZINC000225013268	189742899	/nfs/dbraw/zinc/74/28/99/189742899.db2.gz	ZUULHCCJYSFSCN-HNNXBMFYSA-N	-1	0	256.301	3.070	40	0		CGABRM
O=C([O-])[C@@H](Cc1ccccc1)Oc1ccccc1Cl	ZINC000225013355	189743125	/nfs/dbraw/zinc/74/31/25/189743125.db2.gz	CPOPVBMTXVTNDA-CQSZACIVSA-N	-1	0	276.719	3.415	40	0		CGABRM
Cc1ccccc1N1C(=S)N=NC1COc1ccccc1	ZINC000001468264	368416458	/nfs/dbraw/zinc/41/64/58/368416458.db2.gz	ZBQIBHDXXXZGFR-UHFFFAOYSA-N	-1	0	297.383	3.443	40	0		CGABRM
O=C([O-])CCc1cccc2c(=O)cc(-c3ccccc3)oc12	ZINC000001584240	368420497	/nfs/dbraw/zinc/42/04/97/368420497.db2.gz	DIQXEYRKGHPEME-UHFFFAOYSA-N	-1	0	294.306	3.477	40	0		CGABRM
Cc1ccc(NC(=O)COc2ccccc2C(=O)[O-])cc1C	ZINC000013080142	368642648	/nfs/dbraw/zinc/64/26/48/368642648.db2.gz	MSLUXGGDBVHIJI-UHFFFAOYSA-N	-1	0	299.326	3.019	40	0		CGABRM
O=c1cc(-c2ccco2)[n-]n1-c1nc2ccccc2s1	ZINC000014607816	368682598	/nfs/dbraw/zinc/68/25/98/368682598.db2.gz	POJWQUSQDRPDCQ-UHFFFAOYSA-N	-1	0	283.312	3.448	40	0		CGABRM
CC(=O)C(Cc1ccccc1)=C([O-])c1ccccc1	ZINC000031623481	368915360	/nfs/dbraw/zinc/91/53/60/368915360.db2.gz	WGQHQOTVVBJZRY-MRXNPFEDSA-N	-1	0	252.313	3.317	40	0		CGABRM
Cc1ccc(-c2nc(C(=O)[O-])c(N3CCCCC3)o2)cc1	ZINC000041154294	369177472	/nfs/dbraw/zinc/17/74/72/369177472.db2.gz	HGLHQAFISZGBFJ-UHFFFAOYSA-N	-1	0	286.331	3.339	40	0		CGABRM
O=C([O-])/C=C/c1cccc(NC(=O)c2ccccc2F)c1	ZINC000042270656	369210133	/nfs/dbraw/zinc/21/01/33/369210133.db2.gz	HRXHEIVAOYVEBF-CMDGGOBGSA-N	-1	0	285.274	3.176	40	0		CGABRM
Cc1nc(-c2cccc3ccccc32)ncc1C(=O)[O-]	ZINC000054439499	369503436	/nfs/dbraw/zinc/50/34/36/369503436.db2.gz	YGSYTDZHRYWNIN-UHFFFAOYSA-N	-1	0	264.284	3.303	40	0		CGABRM
O=C([O-])c1ccc(NCc2csc(C3CCC3)n2)nc1	ZINC000095093890	370175042	/nfs/dbraw/zinc/17/50/42/370175042.db2.gz	QNIPYGGSZBVBEN-UHFFFAOYSA-N	-1	0	289.360	3.116	40	0		CGABRM
CCc1ccc(C(C)(C)C(=O)[O-])cc1Br	ZINC000169584912	372630095	/nfs/dbraw/zinc/63/00/95/372630095.db2.gz	YECFRBRQWHGKSK-UHFFFAOYSA-N	-1	0	271.154	3.374	40	0		CGABRM
O=C([O-])c1ccc(OCc2ccc(F)cc2Cl)cc1O	ZINC000216846807	376168599	/nfs/dbraw/zinc/16/85/99/376168599.db2.gz	RNVZTDZQGAVOQY-UHFFFAOYSA-N	-1	0	296.681	3.462	40	0		CGABRM
Cc1c(C(=O)[O-])c2ccccc2n1C(=O)c1ccccc1F	ZINC000216952809	376170229	/nfs/dbraw/zinc/17/02/29/376170229.db2.gz	ZXHJGIRRNXFTJR-UHFFFAOYSA-N	-1	0	297.285	3.476	40	0		CGABRM
COc1ccc(C(=O)Nc2cccc(/C=C/C(=O)[O-])c2)cc1	ZINC000226322561	376351818	/nfs/dbraw/zinc/35/18/18/376351818.db2.gz	URDZYWUEDVHVRG-BJMVGYQFSA-N	-1	0	297.310	3.045	40	0		CGABRM
O=C([O-])c1cccc(OCc2noc(-c3ccccc3)n2)c1	ZINC000226105977	376340653	/nfs/dbraw/zinc/34/06/53/376340653.db2.gz	ZPWJYFUXQPMHNE-UHFFFAOYSA-N	-1	0	296.282	3.014	40	0		CGABRM
COc1cccc(O[C@H](Cc2cccc(C)c2)C(=O)[O-])c1	ZINC000225018285	376293074	/nfs/dbraw/zinc/29/30/74/376293074.db2.gz	LFPNCWJIVDGFNQ-MRXNPFEDSA-N	-1	0	286.327	3.078	40	0		CGABRM
CCCO[C@H](Cc1cccc(Cl)c1C)C(=O)[O-]	ZINC000225072545	376293366	/nfs/dbraw/zinc/29/33/66/376293366.db2.gz	GWRRXGKFGWJNEA-GFCCVEGCSA-N	-1	0	256.729	3.071	40	0		CGABRM
CCCCO[C@H](Cc1cccc(C)c1C)C(=O)[O-]	ZINC000225024501	376293506	/nfs/dbraw/zinc/29/35/06/376293506.db2.gz	YQRGKZLCEQVWRG-CQSZACIVSA-N	-1	0	250.338	3.116	40	0		CGABRM
Cc1cc(Cl)ccc1C[C@@H](OCC(C)C)C(=O)[O-]	ZINC000225076182	376294898	/nfs/dbraw/zinc/29/48/98/376294898.db2.gz	FXBAJLQQTPXFMM-CYBMUJFWSA-N	-1	0	270.756	3.317	40	0		CGABRM
Nc1cc(C(=O)[O-])ccc1NCCC1=CCCCC1	ZINC000225322429	376302794	/nfs/dbraw/zinc/30/27/94/376302794.db2.gz	BQLGNTFRIXYGFR-UHFFFAOYSA-N	-1	0	260.337	3.269	40	0		CGABRM
CCC(=O)Nc1cc(C(=O)[O-])cc(Cl)c1Cl	ZINC000226354374	376354931	/nfs/dbraw/zinc/35/49/31/376354931.db2.gz	HHNJRUOAGCYWAR-UHFFFAOYSA-N	-1	0	262.092	3.040	40	0		CGABRM
O=C([O-])c1c(C(=O)c2ccccc2)cnc2ccccc21	ZINC000000215395	304216743	/nfs/dbraw/zinc/21/67/43/304216743.db2.gz	NSOKZWKQWFALMW-UHFFFAOYSA-N	-1	0	277.279	3.164	40	0		CGABRM
O=C([O-])c1cc(-c2ccc(C(F)(F)F)cc2)on1	ZINC000071980940	304219031	/nfs/dbraw/zinc/21/90/31/304219031.db2.gz	RILMWGDLHDRILD-UHFFFAOYSA-N	-1	0	257.167	3.059	40	0		CGABRM
O=C([O-])c1ccc(I)c2ccccc12	ZINC000071256810	304245644	/nfs/dbraw/zinc/24/56/44/304245644.db2.gz	IKUGXOILLMFCRF-UHFFFAOYSA-N	-1	0	298.079	3.143	40	0		CGABRM
Cc1ccc(-c2cnn(-c3ccc(C(=O)[O-])cc3)c2N)cc1	ZINC000004290732	256800979	/nfs/dbraw/zinc/80/09/79/256800979.db2.gz	BXVQQKOAAMQVRJ-UHFFFAOYSA-N	-1	0	293.326	3.128	40	0		CGABRM
O=C([O-])c1cc2occc2c(OCC(F)(F)F)c1	ZINC000072228312	392204319	/nfs/dbraw/zinc/20/43/19/392204319.db2.gz	LGZOUWWJZXNDKQ-UHFFFAOYSA-N	-1	0	260.167	3.072	40	0		CGABRM
O=C([O-])c1ccc(Cl)cc1NC(=O)c1ccccc1F	ZINC000004201502	169943395	/nfs/dbraw/zinc/94/33/95/169943395.db2.gz	MNNYPJJZMPNRSL-UHFFFAOYSA-N	-1	0	293.681	3.430	40	0		CGABRM
CCCS(=O)(=O)CCCCCCCCCCC(=O)[O-]	ZINC000004429793	169967772	/nfs/dbraw/zinc/96/77/72/169967772.db2.gz	YKZLERYRSOTNDY-UHFFFAOYSA-N	-1	0	292.441	3.407	40	0		CGABRM
C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])CC(C)(C)C1	ZINC000006523788	170209981	/nfs/dbraw/zinc/20/99/81/170209981.db2.gz	LCADKEWTKZOPFD-SYQHCUMBSA-N	-1	0	295.423	3.208	40	0		CGABRM
CN(C)c1ccc(-c2cnc3c(cccc3C(=O)[O-])n2)cc1	ZINC000006733605	170236478	/nfs/dbraw/zinc/23/64/78/170236478.db2.gz	ZUNMFUOEJIFFAJ-UHFFFAOYSA-N	-1	0	293.326	3.061	40	0		CGABRM
CC(C)CCC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC000020136730	171024432	/nfs/dbraw/zinc/02/44/32/171024432.db2.gz	YLEABEJIVCINCW-UHFFFAOYSA-N	-1	0	269.728	3.413	40	0		CGABRM
O=C([O-])c1cnc(-c2ccc(OC(F)(F)F)cc2)s1	ZINC000037343315	173143429	/nfs/dbraw/zinc/14/34/29/173143429.db2.gz	UULXHMJUWYLKIY-UHFFFAOYSA-N	-1	0	289.234	3.407	40	0		CGABRM
CCOc1cnc2c(Br)cccc2c1C(=O)[O-]	ZINC000685936952	544109463	/nfs/dbraw/zinc/10/94/63/544109463.db2.gz	GHIDPIADPQQNOV-UHFFFAOYSA-N	-1	0	296.120	3.094	40	0		CGABRM
CCc1ccc(-c2nc3cc(C(=O)[O-])ccc3[nH]2)cc1	ZINC000037400861	288526969	/nfs/dbraw/zinc/52/69/69/288526969.db2.gz	OMQUDLMRCWCZAW-UHFFFAOYSA-N	-1	0	266.300	3.491	40	0		CGABRM
COc1c(Cl)c2ccccc2c(OC)c1C(=O)[O-]	ZINC000085392569	294901279	/nfs/dbraw/zinc/90/12/79/294901279.db2.gz	YMBIBPLUKYEVGG-UHFFFAOYSA-N	-1	0	266.680	3.209	40	0		CGABRM
COc1cc2c(Cl)c(C(=O)[O-])sc2c(OC)c1	ZINC000021953163	295029159	/nfs/dbraw/zinc/02/91/59/295029159.db2.gz	KLSQLDOFONCIEG-UHFFFAOYSA-N	-1	0	272.709	3.270	40	0		CGABRM
Cc1c(Cl)cc(C(F)(F)F)c(CC(=O)[O-])c1F	ZINC000002509680	300957475	/nfs/dbraw/zinc/95/74/75/300957475.db2.gz	QAURHPNOSJKSEP-UHFFFAOYSA-N	-1	0	270.609	3.433	40	0		CGABRM
Cc1cc(-n2cccc2C(=O)[O-])ccc1Br	ZINC000035431596	301035331	/nfs/dbraw/zinc/03/53/31/301035331.db2.gz	AOZHQBGCZUTADB-UHFFFAOYSA-N	-1	0	280.121	3.246	40	0		CGABRM
Cc1cc(C(=O)[O-])nn1-c1cccc(Cl)c1Cl	ZINC000008700448	301157319	/nfs/dbraw/zinc/15/73/19/301157319.db2.gz	IJOMXNGXTLDPJI-UHFFFAOYSA-N	-1	0	271.103	3.186	40	0		CGABRM
Cc1nc(-c2cc(Cl)cc(Cl)c2)ncc1C(=O)[O-]	ZINC000217401159	302536769	/nfs/dbraw/zinc/53/67/69/302536769.db2.gz	QVNOKAPZCBKAPE-UHFFFAOYSA-N	-1	0	283.114	3.457	40	0		CGABRM
CCN(c1cccc(Cl)c1Cl)[C@H](C)C(=O)[O-]	ZINC000260677661	328007004	/nfs/dbraw/zinc/00/70/04/328007004.db2.gz	JXEBKHCOLCUZEH-SSDOTTSWSA-N	-1	0	262.136	3.293	40	0		CGABRM
Cc1cccnc1[N-]S(=O)(=O)c1ccc(C(C)C)cc1	ZINC000006416204	230369768	/nfs/dbraw/zinc/36/97/68/230369768.db2.gz	SHXHGXTYXOCDJK-UHFFFAOYSA-N	-1	0	290.388	3.314	40	0		CGABRM
O=C([O-])c1cn(C(=O)c2cccc(F)c2)c2ccccc12	ZINC000098139556	230391558	/nfs/dbraw/zinc/39/15/58/230391558.db2.gz	LFBSDOXBEYEEBY-UHFFFAOYSA-N	-1	0	283.258	3.167	40	0		CGABRM
CCOC(=O)c1c[n-]c2c(OC)cc(C)cc2c1=S	ZINC000064874696	345265825	/nfs/dbraw/zinc/26/58/25/345265825.db2.gz	LKKIURRSEMXGFB-UHFFFAOYSA-N	-1	0	277.345	3.017	40	0		CGABRM
C[C@H](Oc1ccc(/C=C/c2ccccc2)nc1)C(=O)[O-]	ZINC000256051596	346398753	/nfs/dbraw/zinc/39/87/53/346398753.db2.gz	JTYWXVWXWYWHRA-GUOLPTJISA-N	-1	0	269.300	3.104	40	0		CGABRM
CC(=O)c1cc(Br)c([O-])cc1C(F)(F)F	ZINC000258448617	346400898	/nfs/dbraw/zinc/40/08/98/346400898.db2.gz	CSEURRKPPPYGQV-UHFFFAOYSA-N	-1	0	283.043	3.376	40	0		CGABRM
COc1ccc(C[C@H](Oc2cccc(C)c2)C(=O)[O-])cc1	ZINC000225101403	189743892	/nfs/dbraw/zinc/74/38/92/189743892.db2.gz	WUKPOSSHOGTLTI-INIZCTEOSA-N	-1	0	286.327	3.078	40	0		CGABRM
CCO[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)[O-]	ZINC000225086829	189744113	/nfs/dbraw/zinc/74/41/13/189744113.db2.gz	BPKLGODEBPKFNY-JTQLQIEISA-N	-1	0	263.120	3.026	40	0		CGABRM
COc1cccc(C[C@@H](Oc2cccc(C)c2)C(=O)[O-])c1	ZINC000225098769	189744245	/nfs/dbraw/zinc/74/42/45/189744245.db2.gz	RHTWHJFEIBADRM-MRXNPFEDSA-N	-1	0	286.327	3.078	40	0		CGABRM
O=C([O-])Cc1cccc2c(=O)cc(-c3ccccc3)oc12	ZINC000000001453	368269363	/nfs/dbraw/zinc/26/93/63/368269363.db2.gz	TZZNWMJZDWYJAZ-UHFFFAOYSA-N	-1	0	280.279	3.087	40	0	investigational	CGABRM
COc1ccccc1-c1cc(O)c2c(=O)cccc-2o1	ZINC000000057684	368279463	/nfs/dbraw/zinc/27/94/63/368279463.db2.gz	OHYPQURAHPKQEA-UHFFFAOYSA-N	-1	0	268.268	3.174	40	0		CGABRM
CN(C(=O)OCc1ccccc1)c1ccc(C(=O)[O-])cc1	ZINC000001701510	368432634	/nfs/dbraw/zinc/43/26/34/368432634.db2.gz	DJRQNWWJEOPZKC-UHFFFAOYSA-N	-1	0	285.299	3.158	40	0		CGABRM
Cc1cc(C(=O)[O-])ccc1NC(=O)/C=C/c1ccc(F)cc1	ZINC000013391243	368653704	/nfs/dbraw/zinc/65/37/04/368653704.db2.gz	ARAJQDCBLYBRPV-RUDMXATFSA-N	-1	0	299.301	3.484	40	0		CGABRM
CCCSc1nc2ccccc2n1[C@@H](C)C(=O)[O-]	ZINC000013609090	368658349	/nfs/dbraw/zinc/65/83/49/368658349.db2.gz	ZTWLLVMWYDTBQM-VIFPVBQESA-N	-1	0	264.350	3.184	40	0		CGABRM
O=c1cc(Cc2ccccc2)[n-]n1-c1nc2ccccc2[nH]1	ZINC000014607926	368682438	/nfs/dbraw/zinc/68/24/38/368682438.db2.gz	YXSDNANCOSVKDL-UHFFFAOYSA-N	-1	0	290.326	3.045	40	0		CGABRM
O=C([O-])CSc1ccnc2ccc(C(F)(F)F)cc21	ZINC000036533612	369022177	/nfs/dbraw/zinc/02/21/77/369022177.db2.gz	UZTZBAFGGUDQRB-UHFFFAOYSA-N	-1	0	287.262	3.430	40	0		CGABRM
C[C@@H](Nc1ccc(N)cc1C(=O)[O-])c1ccccc1	ZINC000037930214	369125958	/nfs/dbraw/zinc/12/59/58/369125958.db2.gz	OJQLRUUWJWTFJQ-SNVBAGLBSA-N	-1	0	256.305	3.140	40	0		CGABRM
Nc1ccc(NCc2ccccc2Cl)c(C(=O)[O-])c1	ZINC000037930358	369126500	/nfs/dbraw/zinc/12/65/00/369126500.db2.gz	IVZCFPMKKDRAMU-UHFFFAOYSA-N	-1	0	276.723	3.233	40	0		CGABRM
O=S1(=O)[N-]c2ccccc2N1c1ccccc1Cl	ZINC000071256271	369808333	/nfs/dbraw/zinc/80/83/33/369808333.db2.gz	XFTFRTBCWVCNSV-UHFFFAOYSA-N	-1	0	280.736	3.148	40	0		CGABRM
Nc1nc(-c2ccccc2)nc(-c2ccccc2)c1C(=O)[O-]	ZINC000095101155	370176090	/nfs/dbraw/zinc/17/60/90/370176090.db2.gz	XITBMIDUUBCNPB-UHFFFAOYSA-N	-1	0	291.310	3.091	40	0		CGABRM
COc1ccc(Cc2c(C)[n-]n(-c3ccccc3)c2=O)cc1	ZINC000100998722	370285864	/nfs/dbraw/zinc/28/58/64/370285864.db2.gz	AVJMENMFWNOVTB-QGZVFWFLSA-N	-1	0	294.354	3.277	40	0		CGABRM
CCOc1ccccc1-c1ccc(C(=O)[O-])c(CC)n1	ZINC000163021112	372440675	/nfs/dbraw/zinc/44/06/75/372440675.db2.gz	SSAMGZVPAJJYMS-UHFFFAOYSA-N	-1	0	271.316	3.408	40	0		CGABRM
Cc1c(C(=O)[O-])c2ccccc2n1C(=O)c1ccc(F)cc1	ZINC000216954114	376170035	/nfs/dbraw/zinc/17/00/35/376170035.db2.gz	ZFLQUCUWXGVVAM-UHFFFAOYSA-N	-1	0	297.285	3.476	40	0		CGABRM
C[C@H]1CC(C)(C)N(C)c2cc(F)c(C(=O)[O-])cc21	ZINC000223778479	376262234	/nfs/dbraw/zinc/26/22/34/376262234.db2.gz	SBFTVMXWFIAWGV-QMMMGPOBSA-N	-1	0	251.301	3.246	40	0		CGABRM
CC[C@H](C)N(C(=O)[C@H]1CCCC[C@@H]1C(=O)[O-])[C@@H](C)CC	ZINC000225706696	376321462	/nfs/dbraw/zinc/32/14/62/376321462.db2.gz	KQIXAYGARCDYHC-XUXIUFHCSA-N	-1	0	283.412	3.303	40	0		CGABRM
CC(C)O[C@@H](Cc1cccc(Cl)c1Cl)C(=O)[O-]	ZINC000225084329	376294515	/nfs/dbraw/zinc/29/45/15/376294515.db2.gz	AYUYZRXHNHRSKU-JTQLQIEISA-N	-1	0	277.147	3.414	40	0		CGABRM
COc1ccc(C)cc1C[C@H](Oc1ccccc1)C(=O)[O-]	ZINC000225117011	376295666	/nfs/dbraw/zinc/29/56/66/376295666.db2.gz	NQLTUBLENQVKQV-INIZCTEOSA-N	-1	0	286.327	3.078	40	0		CGABRM
CCc1ccc([N-]S(=O)(=O)c2ccc(F)s2)cc1	ZINC000225387227	376306322	/nfs/dbraw/zinc/30/63/22/376306322.db2.gz	CAGQHGPCBJTPDF-UHFFFAOYSA-N	-1	0	285.365	3.250	40	0		CGABRM
O=C([O-])c1coc(Cc2c(Cl)cccc2Cl)n1	ZINC000146495539	542096663	/nfs/dbraw/zinc/09/66/63/542096663.db2.gz	ASFYIDXUBGPZTO-UHFFFAOYSA-N	-1	0	272.087	3.270	40	0		CGABRM
O=C([O-])c1ccc(CBr)cc1C(F)(F)F	ZINC000145543333	542096714	/nfs/dbraw/zinc/09/67/14/542096714.db2.gz	HVRPRWJXVGBWAK-UHFFFAOYSA-N	-1	0	283.043	3.299	40	0		CGABRM
O=C([O-])C1(NC(=O)c2ccc3sccc3c2)CCCC1	ZINC000262120238	377888872	/nfs/dbraw/zinc/88/88/72/377888872.db2.gz	LGEJPGKJZQWZKG-UHFFFAOYSA-N	-1	0	289.356	3.029	40	0		CGABRM
O=C([O-])c1cc(-n2cccc2)c(Cl)cc1Cl	ZINC000226244954	304220184	/nfs/dbraw/zinc/22/01/84/304220184.db2.gz	PLIIBRSSDXOSGU-UHFFFAOYSA-N	-1	0	256.088	3.482	40	0		CGABRM
O=C([O-])c1ccc(COC(=O)c2cccc(Cl)c2)cc1	ZINC000409217274	380027768	/nfs/dbraw/zinc/02/77/68/380027768.db2.gz	OMSVASXWMGIWMG-UHFFFAOYSA-N	-1	0	290.702	3.395	40	0		CGABRM
O=C([O-])c1cc2ccccc2cc1Br	ZINC000071256580	304229673	/nfs/dbraw/zinc/22/96/73/304229673.db2.gz	KJEICVAXCBDOSH-UHFFFAOYSA-N	-1	0	251.079	3.301	40	0		CGABRM
O=C([O-])c1cccn2c(-c3ccc(Cl)cc3)cnc12	ZINC000089202296	304272081	/nfs/dbraw/zinc/27/20/81/304272081.db2.gz	AMBHWCOBCCHTLQ-UHFFFAOYSA-N	-1	0	272.691	3.353	40	0		CGABRM
O=C([O-])/C=C/c1ccc(Cc2cccs2)s1	ZINC000096306253	256839772	/nfs/dbraw/zinc/83/97/72/256839772.db2.gz	INWKNRLWWGDNCW-AATRIKPKSA-N	-1	0	250.344	3.498	40	0		CGABRM
O=C([O-])[C@@H]1C[C@H]1c1ccc(-c2c(F)cccc2F)o1	ZINC000070453011	392183654	/nfs/dbraw/zinc/18/36/54/392183654.db2.gz	WMTNCACMRBTIHW-HTQZYQBOSA-N	-1	0	264.227	3.413	40	0		CGABRM
Cc1ccc(-c2cc(C3(C(=O)[O-])CCC3)no2)cc1	ZINC000072220599	392201377	/nfs/dbraw/zinc/20/13/77/392201377.db2.gz	ZJQZZZUHCXPSJM-UHFFFAOYSA-N	-1	0	257.289	3.156	40	0		CGABRM
Cc1c(C(=O)[O-])sc2nc(-c3cccc(Cl)c3)nn12	ZINC000098150183	392263370	/nfs/dbraw/zinc/26/33/70/392263370.db2.gz	CVJBXCXEXCIBFR-UHFFFAOYSA-N	-1	0	293.735	3.118	40	0		CGABRM
O=C([O-])COc1ccc([C@@H]2CCc3ccccc32)cc1	ZINC000005217899	170077014	/nfs/dbraw/zinc/07/70/14/170077014.db2.gz	JHQOKELRRWZKTM-INIZCTEOSA-N	-1	0	268.312	3.228	40	0		CGABRM
CCc1ccc(-c2nc(C)sc2CC(=O)[O-])cc1	ZINC000009280484	170369999	/nfs/dbraw/zinc/36/99/99/170369999.db2.gz	BUIMGDISMFIMKW-UHFFFAOYSA-N	-1	0	261.346	3.308	40	0		CGABRM
O=C([O-])c1ccc(NC(=O)Cc2ccccc2)cc1Cl	ZINC000020137087	171024329	/nfs/dbraw/zinc/02/43/29/171024329.db2.gz	INQRSACNIVMRKV-UHFFFAOYSA-N	-1	0	289.718	3.219	40	0		CGABRM
CC(C)n1cc(C(=O)[O-])c(=O)c2cc(C(F)(F)F)ccc21	ZINC000040175548	174200858	/nfs/dbraw/zinc/20/08/58/174200858.db2.gz	YFYYVIYMXJASJY-UHFFFAOYSA-N	-1	0	299.248	3.299	40	0		CGABRM
CCC(=O)Nc1cccc(-c2ccc(C(=O)[O-])o2)c1C	ZINC000226352219	416521650	/nfs/dbraw/zinc/52/16/50/416521650.db2.gz	KEDSPZWLSFKKPR-UHFFFAOYSA-N	-1	0	273.288	3.302	40	0		CGABRM
CC(C)Cc1noc2nc(C(C)C)cc(C(=O)[O-])c12	ZINC000062710619	279250642	/nfs/dbraw/zinc/25/06/42/279250642.db2.gz	IGAALKFZCGOKOR-UHFFFAOYSA-N	-1	0	262.309	3.243	40	0		CGABRM
C[C@@]1(Cc2ccc(F)cc2)Cc2cc(C(=O)[O-])ccc2O1	ZINC000257208400	297902814	/nfs/dbraw/zinc/90/28/14/297902814.db2.gz	BMAHDXVUHSXGFZ-QGZVFWFLSA-N	-1	0	286.302	3.460	40	0		CGABRM
Cc1cc(C)c(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])c(C)c1	ZINC000004795507	301189682	/nfs/dbraw/zinc/18/96/82/301189682.db2.gz	YZPOFGUAYMVABJ-QPSCCSFWSA-N	-1	0	299.370	3.073	40	0		CGABRM
CC1=CC(C)(C)N([C@H](C)C(=O)[O-])c2ccc(F)cc21	ZINC000260612846	327945054	/nfs/dbraw/zinc/94/50/54/327945054.db2.gz	BHCULTJLVJEZNJ-SNVBAGLBSA-N	-1	0	263.312	3.301	40	0		CGABRM
O=C([O-])c1cc2ccccc2cc1OC(F)(F)F	ZINC000095486406	184997735	/nfs/dbraw/zinc/99/77/35/184997735.db2.gz	PEACXTPKBYNLJA-UHFFFAOYSA-N	-1	0	256.179	3.437	40	0		CGABRM
C[C@H](O)CCCCCCCCCCC[C@H](O)CC(=O)[O-]	ZINC000225461028	346304152	/nfs/dbraw/zinc/30/41/52/346304152.db2.gz	IGEZKJDTCCZVOD-GJZGRUSLSA-N	-1	0	288.428	3.494	40	0	biogenic,in-vitro	CGABRM
Cc1ncc(CN(C)Cc2cc(C(=O)[O-])sc2C)s1	ZINC000400097159	346589033	/nfs/dbraw/zinc/58/90/33/346589033.db2.gz	BURSGBSQYXGESS-UHFFFAOYSA-N	-1	0	296.417	3.152	40	0		CGABRM
Cc1nc(COc2cccc3ccccc32)ncc1C(=O)[O-]	ZINC000217399465	189709452	/nfs/dbraw/zinc/70/94/52/189709452.db2.gz	XQGTVONNZKUVHB-UHFFFAOYSA-N	-1	0	294.310	3.215	40	0		CGABRM
C[C@H](Oc1ccc(OCC2CCCCC2)cc1)C(=O)[O-]	ZINC000001635023	368425399	/nfs/dbraw/zinc/42/53/99/368425399.db2.gz	MVEXRUBPJNVSKJ-LBPRGKRZSA-N	-1	0	278.348	3.498	40	0		CGABRM
CC(=O)O[C@H](Cc1ccccc1)[C@@H](C(=O)[O-])c1ccccc1	ZINC000001681782	368431538	/nfs/dbraw/zinc/43/15/38/368431538.db2.gz	WJUDITABCJCQBP-SJORKVTESA-N	-1	0	298.338	3.029	40	0		CGABRM
C[C@@](O)(C1=CCCCC1)[C@H](C(=O)[O-])c1ccccc1	ZINC000001746954	368436751	/nfs/dbraw/zinc/43/67/51/368436751.db2.gz	GNCCBBXFPCKCJY-GOEBONIOSA-N	-1	0	260.333	3.106	40	0		CGABRM
O=C([O-])Cc1ccc(-c2ccc3[nH]ccc3c2)cc1	ZINC000002513036	368458975	/nfs/dbraw/zinc/45/89/75/368458975.db2.gz	JRARVAPNPWWPIN-UHFFFAOYSA-N	-1	0	251.285	3.462	40	0		CGABRM
O=C([N-]C(=O)C(F)(F)F)Oc1cccc2ccccc21	ZINC000003265163	368498837	/nfs/dbraw/zinc/49/88/37/368498837.db2.gz	AXVJRMADKVWPFB-UHFFFAOYSA-N	-1	0	283.205	3.017	40	0		CGABRM
C[C@@H]1CCC[C@@H]([C@](O)(C(=O)[O-])C2CCCCC2)C1	ZINC000005047851	368561975	/nfs/dbraw/zinc/56/19/75/368561975.db2.gz	MBMAQAGQHBXDMT-KYOSRNDESA-N	-1	0	254.370	3.209	40	0		CGABRM
O=C([O-])c1cnn(-c2cccc(Cl)c2)c1-n1cccc1	ZINC000011850958	368598580	/nfs/dbraw/zinc/59/85/80/368598580.db2.gz	HMERCURIUHMZGC-UHFFFAOYSA-N	-1	0	287.706	3.015	40	0		CGABRM
O=C([O-])c1cccc(NC(=O)/C=C/c2ccc(F)cc2)c1	ZINC000013094555	368641980	/nfs/dbraw/zinc/64/19/80/368641980.db2.gz	NWNSWLUWYTVXNK-RMKNXTFCSA-N	-1	0	285.274	3.176	40	0		CGABRM
O=C([O-])[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C(=O)Nc1cccc(Cl)c1	ZINC000013320646	368649682	/nfs/dbraw/zinc/64/96/82/368649682.db2.gz	GFWRORRWALMWRD-FQPOAREZSA-N	-1	0	293.750	3.025	40	0		CGABRM
C[C@H](CC(=O)[O-])CC(=O)c1ccc(F)c(Cl)c1	ZINC000015441778	368694826	/nfs/dbraw/zinc/69/48/26/368694826.db2.gz	AYJSWZIZBYHAJZ-ZETCQYMHSA-N	-1	0	258.676	3.163	40	0		CGABRM
O=C([O-])c1ccc2[nH]c(-c3cccc(F)c3)nc2c1	ZINC000016159046	368708902	/nfs/dbraw/zinc/70/89/02/368708902.db2.gz	PZFNXGMBUJAYTI-UHFFFAOYSA-N	-1	0	256.236	3.067	40	0		CGABRM
CCc1ccc(Nc2ccc(N)cc2C(=O)[O-])cc1	ZINC000037930578	369125945	/nfs/dbraw/zinc/12/59/45/369125945.db2.gz	OEUDHWVEFBNXLK-UHFFFAOYSA-N	-1	0	256.305	3.273	40	0		CGABRM
CC(C)COc1ccc(-c2cc(C(=O)[O-])no2)cc1	ZINC000041350453	369182447	/nfs/dbraw/zinc/18/24/47/369182447.db2.gz	BVTHBANGWIKQSO-UHFFFAOYSA-N	-1	0	261.277	3.075	40	0		CGABRM
Cc1ccccc1O[C@@H](C)C(=O)Nc1ccc(C(=O)[O-])cc1	ZINC000066145734	369688660	/nfs/dbraw/zinc/68/86/60/369688660.db2.gz	MNIXPEFWISTOHL-LBPRGKRZSA-N	-1	0	299.326	3.099	40	0		CGABRM
O=C([O-])c1cc(OCc2ccccc2)nn1-c1ccccc1	ZINC000167307716	372593770	/nfs/dbraw/zinc/59/37/70/372593770.db2.gz	GLZHMCJWXRCPGZ-UHFFFAOYSA-N	-1	0	294.310	3.150	40	0		CGABRM
CN(CCCC(=O)[O-])c1ccc(Cl)c(Cl)c1	ZINC000224994791	376292154	/nfs/dbraw/zinc/29/21/54/376292154.db2.gz	VKHQZTAOFJULHR-UHFFFAOYSA-N	-1	0	262.136	3.294	40	0		CGABRM
Cc1c(Cl)cccc1C[C@H](OC(C)C)C(=O)[O-]	ZINC000225072613	376292890	/nfs/dbraw/zinc/29/28/90/376292890.db2.gz	IJYSGUWMZWSZOB-LBPRGKRZSA-N	-1	0	256.729	3.069	40	0		CGABRM
Cc1cccc(C)c1C[C@@H](Oc1ccccc1)C(=O)[O-]	ZINC000225030254	376293874	/nfs/dbraw/zinc/29/38/74/376293874.db2.gz	TYYWBQKPVOSJES-MRXNPFEDSA-N	-1	0	270.328	3.378	40	0		CGABRM
CC(C)O[C@H](Cc1cccc(Cl)c1Cl)C(=O)[O-]	ZINC000225084370	376295008	/nfs/dbraw/zinc/29/50/08/376295008.db2.gz	AYUYZRXHNHRSKU-SNVBAGLBSA-N	-1	0	277.147	3.414	40	0		CGABRM
CO[C@@H](Cc1ccccc1Sc1ccccc1)C(=O)[O-]	ZINC000225132319	376295640	/nfs/dbraw/zinc/29/56/40/376295640.db2.gz	UOEFKPPTQUTCGF-AWEZNQCLSA-N	-1	0	288.368	3.480	40	0		CGABRM
O=C([O-])c1c[nH]nc1-c1cc(Cl)ccc1Cl	ZINC000020439731	304274703	/nfs/dbraw/zinc/27/47/03/304274703.db2.gz	MJJJDTAJXAHGOV-UHFFFAOYSA-N	-1	0	257.076	3.082	40	0		CGABRM
CC[C@H](C)n1c2ccc(Cl)cc2nc1[C@@H](O)CC(=O)[O-]	ZINC000064874432	392144558	/nfs/dbraw/zinc/14/45/58/392144558.db2.gz	QONQHZIZMVBTQO-UFBFGSQYSA-N	-1	0	296.754	3.169	40	0		CGABRM
CC(C)c1nc2cccc3c(S(=O)(=O)[O-])ccc([nH]1)c23	ZINC000226249206	393014008	/nfs/dbraw/zinc/01/40/08/393014008.db2.gz	KNJGJFSCZMTPMO-UHFFFAOYSA-N	-1	0	290.344	3.086	40	0		CGABRM
CCC(CC)(C(=O)[O-])C(=O)Nc1nc2ccccc2s1	ZINC000650290288	397812598	/nfs/dbraw/zinc/81/25/98/397812598.db2.gz	KHUNTSBMFFPLKB-UHFFFAOYSA-N	-1	0	292.360	3.126	40	0		CGABRM
C[C@@](O)(C1=CCCCC1)[C@@H](C(=O)[O-])c1ccccc1	ZINC000001746957	297845118	/nfs/dbraw/zinc/84/51/18/297845118.db2.gz	GNCCBBXFPCKCJY-GDBMZVCRSA-N	-1	0	260.333	3.106	40	0		CGABRM
CCCCCCOC(=O)Oc1ccc(C(=O)[O-])cc1	ZINC000005418121	170096664	/nfs/dbraw/zinc/09/66/64/170096664.db2.gz	HYQCZQUEOIYQFU-UHFFFAOYSA-N	-1	0	266.293	3.481	40	0		CGABRM
Cc1cc(Nc2ccccc2C(=O)[O-])nc(C(C)C)n1	ZINC000008702964	170347471	/nfs/dbraw/zinc/34/74/71/170347471.db2.gz	GAXCNHOGZTWMPT-UHFFFAOYSA-N	-1	0	271.320	3.350	40	0		CGABRM
O=C([O-])/C=C/c1cnc(Nc2cccc3ccccc32)nc1	ZINC000008702954	170347691	/nfs/dbraw/zinc/34/76/91/170347691.db2.gz	FLPQWILWQGDLQN-CMDGGOBGSA-N	-1	0	291.310	3.471	40	0		CGABRM
O=C([O-])c1cnc(-c2ccc(Cl)cc2Cl)nc1	ZINC000008730989	170351143	/nfs/dbraw/zinc/35/11/43/170351143.db2.gz	NLBONZZLGJIISN-UHFFFAOYSA-N	-1	0	269.087	3.149	40	0		CGABRM
CCCC(=O)Nc1ccccc1S[C@@H](CC)C(=O)[O-]	ZINC000008732819	170351582	/nfs/dbraw/zinc/35/15/82/170351582.db2.gz	UKMDINNPMZQVSZ-NSHDSACASA-N	-1	0	281.377	3.381	40	0		CGABRM
CCN(CCC(=O)[O-])c1ccc(Br)c(C)c1	ZINC000020133859	171022152	/nfs/dbraw/zinc/02/21/52/171022152.db2.gz	GQVNZLSGIQZIBE-UHFFFAOYSA-N	-1	0	286.169	3.059	40	0		CGABRM
CC(C)CCC(=O)Nc1cc(C(=O)[O-])ccc1Cl	ZINC000020136724	171024841	/nfs/dbraw/zinc/02/48/41/171024841.db2.gz	KRZYPRBUXCEVPQ-UHFFFAOYSA-N	-1	0	269.728	3.413	40	0		CGABRM
O=C([O-])c1cc(NC(=O)c2ccccc2F)ccc1Cl	ZINC000020137709	171025108	/nfs/dbraw/zinc/02/51/08/171025108.db2.gz	ACFOWZCRHVRSKF-UHFFFAOYSA-N	-1	0	293.681	3.430	40	0		CGABRM
O=C([O-])c1cc(Cl)cc(Cc2ccccc2)c1O	ZINC000020593702	171262847	/nfs/dbraw/zinc/26/28/47/171262847.db2.gz	ZFPZIPXGQJRDLB-UHFFFAOYSA-N	-1	0	262.692	3.335	40	0		CGABRM
COc1ccccc1-c1noc(-c2ccccc2C(=O)[O-])n1	ZINC000022119714	171353527	/nfs/dbraw/zinc/35/35/27/171353527.db2.gz	BBEXYSCBGXPEGO-UHFFFAOYSA-N	-1	0	296.282	3.110	40	0		CGABRM
CCCN(c1ccccc1OCC)[C@H](CC)C(=O)[O-]	ZINC000260677558	328007047	/nfs/dbraw/zinc/00/70/47/328007047.db2.gz	HROZOLOXAHKWFP-GFCCVEGCSA-N	-1	0	265.353	3.165	40	0		CGABRM
Cc1cc(C)nc([N-]c2noc(-c3ccc(F)cc3)n2)n1	ZINC000008559012	344874308	/nfs/dbraw/zinc/87/43/08/344874308.db2.gz	NYIKWXGRIOPSHT-UHFFFAOYSA-N	-1	0	285.282	3.026	40	0		CGABRM
Cc1cc(N=Nc2cccc(S(=O)(=O)[O-])c2)ccc1N	ZINC000038615265	344956497	/nfs/dbraw/zinc/95/64/97/344956497.db2.gz	FBUUCZBKPYYEEE-UHFFFAOYSA-N	-1	0	291.332	3.239	40	0		CGABRM
O=C([O-])c1ccc(Cc2ccccc2Br)o1	ZINC000084197734	178822728	/nfs/dbraw/zinc/82/27/28/178822728.db2.gz	IVJGJNYESHYWHI-UHFFFAOYSA-N	-1	0	281.105	3.331	40	0		CGABRM
O=C([O-])c1cc(Cl)c(-c2ccc(Cl)cc2)[nH]c1=O	ZINC000096517598	345903172	/nfs/dbraw/zinc/90/31/72/345903172.db2.gz	OLGZDPUWSRNXGA-UHFFFAOYSA-N	-1	0	284.098	3.047	40	0		CGABRM
O=C([O-])CCO[C@@H](c1ccc(Cl)cc1)C(F)(F)F	ZINC000095096470	304057261	/nfs/dbraw/zinc/05/72/61/304057261.db2.gz	UKSQECPINMKEQJ-JTQLQIEISA-N	-1	0	282.645	3.435	40	0		CGABRM
CCCN(c1ccccc1OCC)[C@@H](CC)C(=O)[O-]	ZINC000224998642	283308549	/nfs/dbraw/zinc/30/85/49/283308549.db2.gz	HROZOLOXAHKWFP-LBPRGKRZSA-N	-1	0	265.353	3.165	40	0		CGABRM
COc1ccccc1C[C@@H](Sc1ccccc1)C(=O)[O-]	ZINC000225097772	189744232	/nfs/dbraw/zinc/74/42/32/189744232.db2.gz	HSFIEXZGJXVSSZ-OAHLLOKOSA-N	-1	0	288.368	3.483	40	0		CGABRM
COc1ccc(C[C@H](C(=O)[O-])c2ccc(OC)cc2)cc1	ZINC000001665652	368427553	/nfs/dbraw/zinc/42/75/53/368427553.db2.gz	JPBRCFVCHHIZRR-INIZCTEOSA-N	-1	0	286.327	3.115	40	0		CGABRM
O=C([O-])c1ccc(NC(=O)CCCOc2ccccc2)cc1	ZINC000001779439	368438661	/nfs/dbraw/zinc/43/86/61/368438661.db2.gz	JKOWOCMIQSVMDT-UHFFFAOYSA-N	-1	0	299.326	3.183	40	0		CGABRM
O=C([O-])C1(NC(=O)Nc2ccccc2Cl)CCCCC1	ZINC000013564063	368657312	/nfs/dbraw/zinc/65/73/12/368657312.db2.gz	OQZYWVKSQYLKPV-UHFFFAOYSA-N	-1	0	296.754	3.249	40	0		CGABRM
CCCCCCOc1ccc(O[C@H](C)C(=O)[O-])cc1	ZINC000013609174	368658759	/nfs/dbraw/zinc/65/87/59/368658759.db2.gz	OUWBJVZIENWHAC-GFCCVEGCSA-N	-1	0	266.337	3.498	40	0		CGABRM
COc1ccc(/C=C(\C(=O)[O-])c2ccc(OC)cc2)cc1	ZINC000017004846	368725211	/nfs/dbraw/zinc/72/52/11/368725211.db2.gz	DUVDSIWOHRUZCS-WJDWOHSUSA-N	-1	0	284.311	3.329	40	0		CGABRM
CCCOC(=O)c1cccc(-c2ccc(C(=O)[O-])o2)c1	ZINC000017007260	368725258	/nfs/dbraw/zinc/72/52/58/368725258.db2.gz	FGJMTHTZWJOWOS-UHFFFAOYSA-N	-1	0	274.272	3.212	40	0		CGABRM
COc1ccc(-c2nc3ccccn3c2/C=C/C(=O)[O-])cc1	ZINC000031973088	368921560	/nfs/dbraw/zinc/92/15/60/368921560.db2.gz	ICVWWIPTRRYOHA-MDZDMXLPSA-N	-1	0	294.310	3.108	40	0		CGABRM
Cc1nc(-c2ccc(F)c(C)c2)c(CC(=O)[O-])s1	ZINC000032113864	368924896	/nfs/dbraw/zinc/92/48/96/368924896.db2.gz	FXJJWYRASBPZLI-UHFFFAOYSA-N	-1	0	265.309	3.193	40	0		CGABRM
O=C([O-])CCO[C@@H](c1cccc(Cl)c1)C(F)(F)F	ZINC000095096468	370176309	/nfs/dbraw/zinc/17/63/09/370176309.db2.gz	BAFNMWNVMQKANQ-JTQLQIEISA-N	-1	0	282.645	3.435	40	0		CGABRM
C[C@](O)(CC(=O)C=C([O-])c1ccccc1)c1ccccc1	ZINC000102816183	370312094	/nfs/dbraw/zinc/31/20/94/370312094.db2.gz	LCVNXOXRFNAUTN-SFHVURJKSA-N	-1	0	282.339	3.126	40	0		CGABRM
Cc1nc(COc2ccc(C(C)C)cc2)ncc1C(=O)[O-]	ZINC000217400188	376173831	/nfs/dbraw/zinc/17/38/31/376173831.db2.gz	RUJHTAYMSZCFSN-UHFFFAOYSA-N	-1	0	286.331	3.186	40	0		CGABRM
CC[C@H](C(=O)[O-])N(C)c1ccc(Cl)c(Cl)c1	ZINC000224994901	376291958	/nfs/dbraw/zinc/29/19/58/376291958.db2.gz	YXOLAODAKMSPQP-SNVBAGLBSA-N	-1	0	262.136	3.293	40	0		CGABRM
Cc1ccc(C[C@H](Oc2ccccc2)C(=O)[O-])cc1	ZINC000225019457	376292928	/nfs/dbraw/zinc/29/29/28/376292928.db2.gz	SDODGXQMUXAEON-HNNXBMFYSA-N	-1	0	256.301	3.070	40	0		CGABRM
CCOc1ccccc1C[C@@H](Oc1ccccc1)C(=O)[O-]	ZINC000225103588	376294504	/nfs/dbraw/zinc/29/45/04/376294504.db2.gz	UEEYOOANXFBLJV-MRXNPFEDSA-N	-1	0	286.327	3.160	40	0		CGABRM
CCO[C@H](Cc1ccc(Cl)cc1Cl)C(=O)[O-]	ZINC000225086869	376294558	/nfs/dbraw/zinc/29/45/58/376294558.db2.gz	BPKLGODEBPKFNY-SNVBAGLBSA-N	-1	0	263.120	3.026	40	0		CGABRM
Cc1ccc(Cl)cc1C[C@H](OC(C)C)C(=O)[O-]	ZINC000225078744	376294771	/nfs/dbraw/zinc/29/47/71/376294771.db2.gz	RLZUJSHMAMKANA-LBPRGKRZSA-N	-1	0	256.729	3.069	40	0		CGABRM
CC(C)O[C@@H](Cc1ccc(Cl)c(Cl)c1)C(=O)[O-]	ZINC000225089693	376294944	/nfs/dbraw/zinc/29/49/44/376294944.db2.gz	MGIMTEPMCWWHHF-NSHDSACASA-N	-1	0	277.147	3.414	40	0		CGABRM
COc1ccc(C[C@H](OCC(C)C)C(=O)[O-])cc1Cl	ZINC000225124736	376295485	/nfs/dbraw/zinc/29/54/85/376295485.db2.gz	QHFHYFZUWRJDIA-ZDUSSCGKSA-N	-1	0	286.755	3.017	40	0		CGABRM
CCCn1c2cc(C)c(C)cc2nc1CCC(=O)[O-]	ZINC000225297353	376301848	/nfs/dbraw/zinc/30/18/48/376301848.db2.gz	FFUAOESEGKCCHI-UHFFFAOYSA-N	-1	0	260.337	3.080	40	0		CGABRM
O=C([O-])[C@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)Nc1ccccc1Cl	ZINC000006700400	304212070	/nfs/dbraw/zinc/21/20/70/304212070.db2.gz	AMQBBWMQJONXHH-PSJXJDHFSA-N	-1	0	293.750	3.025	40	0		CGABRM
O=C([O-])[C@]1(F)CC1(c1ccccc1)c1ccccc1	ZINC000004934340	304213420	/nfs/dbraw/zinc/21/34/20/304213420.db2.gz	YSJGUKWDUBXYRI-MRXNPFEDSA-N	-1	0	256.276	3.169	40	0		CGABRM
O=C([O-])c1cc(Br)cn1C1CCCC1	ZINC000167138545	304221593	/nfs/dbraw/zinc/22/15/93/304221593.db2.gz	UETJUEVGPVQGLD-UHFFFAOYSA-N	-1	0	258.115	3.064	40	0		CGABRM
Cc1ccc(-c2cc3ccccn3c2C(=O)C(=O)[O-])cc1	ZINC000408677708	380019358	/nfs/dbraw/zinc/01/93/58/380019358.db2.gz	QXBLGMIKNADGOP-UHFFFAOYSA-N	-1	0	279.295	3.182	40	0		CGABRM
O=C([O-])c1ccc2c(c1)S[C@@H]1NC(c3ccccc3)=CN21	ZINC000100747040	304253354	/nfs/dbraw/zinc/25/33/54/304253354.db2.gz	NEWRZFFKEPOBAO-MRXNPFEDSA-N	-1	0	296.351	3.182	40	0		CGABRM
O=C([O-])c1cccnc1N1CCC[C@H]1c1ccccc1	ZINC000006732260	304272249	/nfs/dbraw/zinc/27/22/49/304272249.db2.gz	PINOXEVUPOYFIX-AWEZNQCLSA-N	-1	0	268.316	3.121	40	0		CGABRM
O=C([O-])c1n[nH]c(C2CC2)c1Cc1ccc(Cl)cc1	ZINC000072220406	256706604	/nfs/dbraw/zinc/70/66/04/256706604.db2.gz	RLNFAMQYDBTASB-UHFFFAOYSA-N	-1	0	276.723	3.230	40	0		CGABRM
Cc1cc(SCC(=O)[O-])c2c(F)ccc(C)c2n1	ZINC000064874839	392144234	/nfs/dbraw/zinc/14/42/34/392144234.db2.gz	CWOMHJFEMHKUQZ-UHFFFAOYSA-N	-1	0	265.309	3.167	40	0		CGABRM
CCN(CCCC(=O)[O-])c1cc(Cl)ccc1C	ZINC000224992530	130806021	/nfs/dbraw/zinc/80/60/21/130806021.db2.gz	WBZWHRQZYLZYLO-UHFFFAOYSA-N	-1	0	255.745	3.340	40	0		CGABRM
CCN(CC)C(=O)CC1(C(=O)[O-])CCCCCCC1	ZINC000072209741	397640598	/nfs/dbraw/zinc/64/05/98/397640598.db2.gz	HAMWZNYPGCKWRQ-UHFFFAOYSA-N	-1	0	269.385	3.060	40	0		CGABRM
CC1=CC(C)(C)N(CC(=O)[O-])c2cc(Cl)ccc21	ZINC000223824264	397667491	/nfs/dbraw/zinc/66/74/91/397667491.db2.gz	RDIYDBKWTWZZMA-UHFFFAOYSA-N	-1	0	265.740	3.427	40	0		CGABRM
C[C@H](CC(=O)c1ccc(Cl)c(Cl)c1)C(=O)[O-]	ZINC000002539856	169805981	/nfs/dbraw/zinc/80/59/81/169805981.db2.gz	LFVIGPLSBDXHSL-ZCFIWIBFSA-N	-1	0	261.104	3.287	40	0		CGABRM
COc1ccc(CN(N=O)c2ccc(C(=O)[O-])cc2)cc1	ZINC000005085663	170065228	/nfs/dbraw/zinc/06/52/28/170065228.db2.gz	KAEANTJLFZCINI-UHFFFAOYSA-N	-1	0	286.287	3.081	40	0		CGABRM
CN(C)c1ccc(-c2cnc3cccc(C(=O)[O-])c3n2)cc1	ZINC000006733604	170236540	/nfs/dbraw/zinc/23/65/40/170236540.db2.gz	HWTBAONFWVRVPN-UHFFFAOYSA-N	-1	0	293.326	3.061	40	0		CGABRM
O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)c1ccc(F)c(F)c1	ZINC000008715621	170348727	/nfs/dbraw/zinc/34/87/27/170348727.db2.gz	FKJXRXGXPJEHRA-VHSXEESVSA-N	-1	0	268.259	3.039	40	0		CGABRM
CC[C@@H](Sc1nnc(-c2ccc(Cl)cc2)o1)C(=O)[O-]	ZINC000008731412	170351153	/nfs/dbraw/zinc/35/11/53/170351153.db2.gz	HEYVZMSKTNPXNI-SECBINFHSA-N	-1	0	298.751	3.345	40	0		CGABRM
CC[C@H](C)C(=O)Nc1ccccc1S[C@@H](C)C(=O)[O-]	ZINC000008732863	170351554	/nfs/dbraw/zinc/35/15/54/170351554.db2.gz	HGGHUJKFODMRET-UWVGGRQHSA-N	-1	0	281.377	3.236	40	0		CGABRM
CC(C)c1ccc(C(=O)Nc2ccc(C(=O)[O-])c(O)c2)cc1	ZINC000020027808	170972825	/nfs/dbraw/zinc/97/28/25/170972825.db2.gz	JEIGNQACIGMDGZ-UHFFFAOYSA-N	-1	0	299.326	3.466	40	0		CGABRM
O=C([O-])c1cc(NC(=O)/C=C/c2ccco2)ccc1Cl	ZINC000020145223	171030083	/nfs/dbraw/zinc/03/00/83/171030083.db2.gz	FKQVHOJDPCMZCZ-GQCTYLIASA-N	-1	0	291.690	3.283	40	0		CGABRM
O=C([O-])c1ccc(NC(=O)/C=C/c2ccco2)cc1Cl	ZINC000020145231	171030089	/nfs/dbraw/zinc/03/00/89/171030089.db2.gz	HEYHFJKMKFAECF-GQCTYLIASA-N	-1	0	291.690	3.283	40	0		CGABRM
Cc1cccc([C@@H](NC(=O)OCc2ccccc2)C(=O)[O-])c1	ZINC000039957079	174179179	/nfs/dbraw/zinc/17/91/79/174179179.db2.gz	HYEBBHWCDAGFFM-OAHLLOKOSA-N	-1	0	299.326	3.047	40	0		CGABRM
O=C([O-])c1n[nH]c(-c2ccccc2)c1Cc1ccccc1	ZINC000072220423	176342657	/nfs/dbraw/zinc/34/26/57/176342657.db2.gz	CWQMQKRQZXFXFY-UHFFFAOYSA-N	-1	0	278.311	3.366	40	0		CGABRM
CCC(=O)Nc1ccc(-c2ccc(C(=O)[O-])o2)c(OC)c1	ZINC000226352617	416522259	/nfs/dbraw/zinc/52/22/59/416522259.db2.gz	LYUWUYNCOOLLFK-UHFFFAOYSA-N	-1	0	289.287	3.002	40	0		CGABRM
O=C([O-])c1c(OC2CC2)cnc2cc(Cl)ccc21	ZINC000685937622	544110022	/nfs/dbraw/zinc/11/00/22/544110022.db2.gz	UOCAJIXIJURNDP-UHFFFAOYSA-N	-1	0	263.680	3.128	40	0		CGABRM
Cc1ccc(C(=O)c2ccccc2C(=O)[O-])cc1F	ZINC000095634336	265305949	/nfs/dbraw/zinc/30/59/49/265305949.db2.gz	GJTUGBQKSGFZQA-UHFFFAOYSA-N	-1	0	258.248	3.063	40	0		CGABRM
CC(=O)O[C@H](Cc1ccccc1)[C@H](C(=O)[O-])c1ccccc1	ZINC000001681780	278221828	/nfs/dbraw/zinc/22/18/28/278221828.db2.gz	WJUDITABCJCQBP-IAGOWNOFSA-N	-1	0	298.338	3.029	40	0		CGABRM
CCCN(c1cccc(Cl)c1)[C@H](CC)C(=O)[O-]	ZINC000260677591	328006995	/nfs/dbraw/zinc/00/69/95/328006995.db2.gz	IVAGYGPTXLZFJY-GFCCVEGCSA-N	-1	0	255.745	3.420	40	0		CGABRM
O=C([N-]Cc1ccc(Cl)cc1Cl)C(F)(F)F	ZINC000016384944	326849971	/nfs/dbraw/zinc/84/99/71/326849971.db2.gz	IODKEAXLOBOMTO-UHFFFAOYSA-N	-1	0	272.053	3.172	40	0		CGABRM
O=C([O-])CCc1nc2cccnc2n1CC1CCCCC1	ZINC000096675123	534498913	/nfs/dbraw/zinc/49/89/13/534498913.db2.gz	AHONSPKAZSNYEF-UHFFFAOYSA-N	-1	0	287.363	3.029	40	0		CGABRM
O=C([O-])c1ccc2c(c1)N(C(=O)OCc1ccccc1)CC2	ZINC000160671125	526385897	/nfs/dbraw/zinc/38/58/97/526385897.db2.gz	PJUSESAJTTYGAR-UHFFFAOYSA-N	-1	0	297.310	3.084	40	0		CGABRM
Fc1c(F)c(F)c([N-]C(=S)[S-])c(F)c1F	ZINC000002383380	344857352	/nfs/dbraw/zinc/85/73/52/344857352.db2.gz	ALVXHOHWZKQOBR-UHFFFAOYSA-N	-1	0	259.224	3.009	40	0		CGABRM
CCc1ccc(/N=C/c2ccc(OCC(=O)[O-])cc2)cc1	ZINC000008084956	344871353	/nfs/dbraw/zinc/87/13/53/344871353.db2.gz	VIRGXYLCCFIYRS-WOJGMQOQSA-N	-1	0	283.327	3.463	40	0		CGABRM
CC(C)(C)OC(=O)NCC(C)(C)CC(C)(C)C(=O)[O-]	ZINC000256054927	346399523	/nfs/dbraw/zinc/39/95/23/346399523.db2.gz	YKKPCTVWXRQHNA-UHFFFAOYSA-N	-1	0	273.373	3.038	40	0		CGABRM
CC(C)c1ccc(-n2nc(C(=O)[O-])cc2OC(F)F)cc1	ZINC000256053460	346399590	/nfs/dbraw/zinc/39/95/90/346399590.db2.gz	RNZXPWRJAFYLME-UHFFFAOYSA-N	-1	0	296.273	3.295	40	0		CGABRM
O=C([O-])CC[C@@H]1Nc2ccccc2N(c2ccccc2)C1=O	ZINC000012399109	304060783	/nfs/dbraw/zinc/06/07/83/304060783.db2.gz	XVJWDNJKQOMFJP-AWEZNQCLSA-N	-1	0	296.326	3.010	40	0		CGABRM
O=C([O-])Cc1c(Br)ccc(Cl)c1Cl	ZINC000026899293	304087605	/nfs/dbraw/zinc/08/76/05/304087605.db2.gz	QFTNDVVILCDGBN-UHFFFAOYSA-N	-1	0	283.936	3.383	40	0		CGABRM
CC[C@@H](C(=O)[O-])[C@@H](C)CC(=O)Nc1ccccc1Cl	ZINC000000267181	368328182	/nfs/dbraw/zinc/32/81/82/368328182.db2.gz	JWHKFEZKCQDMDJ-VHSXEESVSA-N	-1	0	283.755	3.416	40	0		CGABRM
O=C([O-])CCCCC(=O)SCc1ccccc1	ZINC000001561832	368417650	/nfs/dbraw/zinc/41/76/50/368417650.db2.gz	YEFWXMYQIDKTDE-UHFFFAOYSA-N	-1	0	252.335	3.091	40	0		CGABRM
Cc1cc2c(c(C(=O)[O-])c1C)-c1cccc(F)c1C2=O	ZINC000001618464	368423865	/nfs/dbraw/zinc/42/38/65/368423865.db2.gz	LQHJFUMIVUGJGE-UHFFFAOYSA-N	-1	0	270.259	3.352	40	0		CGABRM
CC(C)C[C@H](NC(=O)SCc1ccccc1)C(=O)[O-]	ZINC000001677523	368430625	/nfs/dbraw/zinc/43/06/25/368430625.db2.gz	ZXXIEIHCERDVBD-LBPRGKRZSA-N	-1	0	281.377	3.129	40	0		CGABRM
CCCOc1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2)cc1	ZINC000004201467	368536435	/nfs/dbraw/zinc/53/64/35/368536435.db2.gz	CTYZPGCWMZAHSC-UHFFFAOYSA-N	-1	0	299.326	3.426	40	0		CGABRM
Cc1ccc(C)c(C(=O)Nc2ccc(C(=O)[O-])cc2)c1	ZINC000013166518	368646446	/nfs/dbraw/zinc/64/64/46/368646446.db2.gz	QELXDKULYIUGFV-UHFFFAOYSA-N	-1	0	269.300	3.254	40	0		CGABRM
Cc1ccc(Nc2nnc(-c3ccccc3)c(=O)[n-]2)cc1	ZINC000016806942	368721578	/nfs/dbraw/zinc/72/15/78/368721578.db2.gz	BRFXDHCTSXMYIO-UHFFFAOYSA-N	-1	0	278.315	3.296	40	0		CGABRM
CC(C)(C)OC(=O)Nc1ccc2nc(C(=O)[O-])ccc2c1	ZINC000026460792	368859914	/nfs/dbraw/zinc/85/99/14/368859914.db2.gz	RIFBZXWNJWMZMA-UHFFFAOYSA-N	-1	0	288.303	3.280	40	0		CGABRM
Cc1ccc(C(=O)c2cccc([C@H](C)C(=O)[O-])c2)cc1	ZINC000032142422	368927471	/nfs/dbraw/zinc/92/74/71/368927471.db2.gz	PXERNXYPPAUBJI-LBPRGKRZSA-N	-1	0	268.312	3.414	40	0	in-vitro	CGABRM
CCCn1c(CCC(=O)[O-])nc2ccc(Cl)cc21	ZINC000064874511	369660851	/nfs/dbraw/zinc/66/08/51/369660851.db2.gz	UYFPKHADOYFZPS-UHFFFAOYSA-N	-1	0	266.728	3.117	40	0		CGABRM
CSCc1ccc(Br)cc1C(=O)[O-]	ZINC000072209165	369815247	/nfs/dbraw/zinc/81/52/47/369815247.db2.gz	OHXCTKARZPAWOF-UHFFFAOYSA-N	-1	0	261.140	3.010	40	0		CGABRM
CCc1[n-]n2c(nc3c(c2=O)CCC3)c1-c1ccc(F)cc1	ZINC000100163393	370272252	/nfs/dbraw/zinc/27/22/52/370272252.db2.gz	AJCXNNXOSYSMFG-UHFFFAOYSA-N	-1	0	297.333	3.292	40	0		CGABRM
O=C([O-])[C@@](O)(c1ccccc1)c1cccc2ccccc21	ZINC000002047901	304162968	/nfs/dbraw/zinc/16/29/68/304162968.db2.gz	SCUTVJFQXIRWRF-GOSISDBHSA-N	-1	0	278.307	3.160	40	0		CGABRM
O=C([O-])c1cc(Cl)c(OCc2ccc(F)cc2)cc1O	ZINC000216933807	376170106	/nfs/dbraw/zinc/17/01/06/376170106.db2.gz	NBJZUIDHFJBRRX-UHFFFAOYSA-N	-1	0	296.681	3.462	40	0		CGABRM
O=C([O-])[C@@H](Cc1ccccc1)Oc1cccc(Cl)c1	ZINC000225013444	376292006	/nfs/dbraw/zinc/29/20/06/376292006.db2.gz	PLRWYEJDLPLAGZ-CQSZACIVSA-N	-1	0	276.719	3.415	40	0		CGABRM
CC(C)CO[C@H](Cc1ccc(C(C)C)cc1)C(=O)[O-]	ZINC000225047395	376293629	/nfs/dbraw/zinc/29/36/29/376293629.db2.gz	CUAYJMXDXSSCEA-OAHLLOKOSA-N	-1	0	264.365	3.478	40	0		CGABRM
Cc1ccc(Cl)cc1C[C@@H](OCC(C)C)C(=O)[O-]	ZINC000225078894	376294867	/nfs/dbraw/zinc/29/48/67/376294867.db2.gz	UUEOSRGTNARRFU-CYBMUJFWSA-N	-1	0	270.756	3.317	40	0		CGABRM
COc1ccccc1C[C@H](Sc1ccccc1)C(=O)[O-]	ZINC000225097811	376295094	/nfs/dbraw/zinc/29/50/94/376295094.db2.gz	HSFIEXZGJXVSSZ-HNNXBMFYSA-N	-1	0	288.368	3.483	40	0		CGABRM
CO[C@H](Cc1ccc(Oc2ccccc2)cc1)C(=O)[O-]	ZINC000225110970	376295186	/nfs/dbraw/zinc/29/51/86/376295186.db2.gz	HWENHIBSPLLROB-OAHLLOKOSA-N	-1	0	272.300	3.121	40	0		CGABRM
O=C([O-])c1c(F)c(Cl)c(F)cc1Br	ZINC000036532793	304217127	/nfs/dbraw/zinc/21/71/27/304217127.db2.gz	PZXNBLOHRJNZFP-UHFFFAOYSA-N	-1	0	271.444	3.079	40	0		CGABRM
O=C([O-])/C(=C/c1ccncc1)Sc1nc2ccccc2o1	ZINC000408634818	380019447	/nfs/dbraw/zinc/01/94/47/380019447.db2.gz	VCSAVFVCDUJMBH-LCYFTJDESA-N	-1	0	298.323	3.441	40	0		CGABRM
O=C([O-])[C@@H]1C[C@H]1c1cccc(OCCC(F)(F)F)c1	ZINC000408716635	380021060	/nfs/dbraw/zinc/02/10/60/380021060.db2.gz	OZXFGRCHCFOJBQ-WDEREUQCSA-N	-1	0	274.238	3.206	40	0		CGABRM
O=C([O-])[C@H]1C[C@H]1c1cccc(OCCC(F)(F)F)c1	ZINC000408716634	380021157	/nfs/dbraw/zinc/02/11/57/380021157.db2.gz	OZXFGRCHCFOJBQ-QWRGUYRKSA-N	-1	0	274.238	3.206	40	0		CGABRM
O=C([O-])c1cc(Cl)c(C(F)(F)F)c(Cl)c1O	ZINC000002529883	304224379	/nfs/dbraw/zinc/22/43/79/304224379.db2.gz	KIXHBEIZHMJMFR-UHFFFAOYSA-N	-1	0	275.009	3.416	40	0		CGABRM
O=C([O-])c1cc(I)cc2ccccc21	ZINC000057219188	304225372	/nfs/dbraw/zinc/22/53/72/304225372.db2.gz	KYGGRXQUVAKVFF-UHFFFAOYSA-N	-1	0	298.079	3.143	40	0		CGABRM
O=C([O-])c1ccc(N2C(=O)CS[C@@H]2c2ccccc2)cc1	ZINC000005604263	304246300	/nfs/dbraw/zinc/24/63/00/304246300.db2.gz	CMPFDOJJDYLCNV-OAHLLOKOSA-N	-1	0	299.351	3.163	40	0		CGABRM
O=C([O-])CO[C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F	ZINC000095096417	184943619	/nfs/dbraw/zinc/94/36/19/184943619.db2.gz	CFFSWYVKDVFIEG-VIFPVBQESA-N	-1	0	286.608	3.184	40	0		CGABRM
CCOc1cc(-c2nc3cc(C(=O)[O-])ccc3[nH]2)ccc1O	ZINC000048877151	392024089	/nfs/dbraw/zinc/02/40/89/392024089.db2.gz	PYSVRWUDXFXWER-UHFFFAOYSA-N	-1	0	298.298	3.032	40	0		CGABRM
CCCN(c1cc(Cl)ccc1C)[C@@H](C)C(=O)[O-]	ZINC000224992696	130806402	/nfs/dbraw/zinc/80/64/02/130806402.db2.gz	KIZRLDAISYUONX-JTQLQIEISA-N	-1	0	255.745	3.338	40	0		CGABRM
O=C([O-])[C@@H]1C[C@@H]1c1ccc(-c2ccc(F)cc2F)o1	ZINC000070452948	392183495	/nfs/dbraw/zinc/18/34/95/392183495.db2.gz	YPYOXQBMIWTSEQ-VHSXEESVSA-N	-1	0	264.227	3.413	40	0		CGABRM
CC(C)C(=O)Nc1cc(/C=C/C(=O)[O-])ccc1Cl	ZINC000226357100	130825179	/nfs/dbraw/zinc/82/51/79/130825179.db2.gz	FFQAWPQXIXHVNX-GQCTYLIASA-N	-1	0	267.712	3.032	40	0		CGABRM
CC(C)COc1ccc(-c2cnc(C(=O)[O-])o2)cc1	ZINC000072219858	392201165	/nfs/dbraw/zinc/20/11/65/392201165.db2.gz	PRUVCEDIVPNYIW-UHFFFAOYSA-N	-1	0	261.277	3.075	40	0		CGABRM
CC(C)Oc1c(Br)cc(F)cc1C(=O)[O-]	ZINC000214855821	392985422	/nfs/dbraw/zinc/98/54/22/392985422.db2.gz	JIZXMPMMDIRVEZ-UHFFFAOYSA-N	-1	0	277.089	3.074	40	0		CGABRM
O=C([O-])CCCCCCCCCC[C@@H]1CC[C@@H](O)[C@@H]1O	ZINC000004722555	170005535	/nfs/dbraw/zinc/00/55/35/170005535.db2.gz	NHWAOBNJSBDJAL-IIAWOOMASA-N	-1	0	286.412	3.104	40	0	in-vitro	CGABRM
CCCCCCC(=O)c1ccc(OCC(=O)[O-])cc1O	ZINC000005417937	170096987	/nfs/dbraw/zinc/09/69/87/170096987.db2.gz	ZDNKEEKYOZZBBL-UHFFFAOYSA-N	-1	0	280.320	3.009	40	0		CGABRM
C[C@@H](Oc1ccc(OCC2CCCCC2)cc1)C(=O)[O-]	ZINC000006442667	170201999	/nfs/dbraw/zinc/20/19/99/170201999.db2.gz	MVEXRUBPJNVSKJ-GFCCVEGCSA-N	-1	0	278.348	3.498	40	0		CGABRM
O=S(=O)([N-]c1ccc2ncccc2c1)c1cccs1	ZINC000007360443	170279292	/nfs/dbraw/zinc/27/92/92/170279292.db2.gz	ODONLHOJVHJDJE-UHFFFAOYSA-N	-1	0	290.369	3.097	40	0		CGABRM
O=C([O-])/C(=C/N(O)c1ccccc1)c1ccccc1	ZINC000013405770	170548756	/nfs/dbraw/zinc/54/87/56/170548756.db2.gz	VGVFZAALQOGWSF-SDNWHVSQSA-N	-1	0	255.273	3.008	40	0		CGABRM
CCCn1c(CCC(=O)[O-])nc2cc(Cl)ccc21	ZINC000037440156	173210149	/nfs/dbraw/zinc/21/01/49/173210149.db2.gz	LRABTFRVNSUIMK-UHFFFAOYSA-N	-1	0	266.728	3.117	40	0		CGABRM
COc1cccc(N2N=C(C(=O)[O-])C[C@H]2c2ccccc2)c1	ZINC000071979173	176307657	/nfs/dbraw/zinc/30/76/57/176307657.db2.gz	VRFSFLCXVQPVOE-INIZCTEOSA-N	-1	0	296.326	3.087	40	0		CGABRM
CC(C)c1cccc(C(C)C)c1OS(=O)(=O)[O-]	ZINC000299817197	280634983	/nfs/dbraw/zinc/63/49/83/280634983.db2.gz	LHZPMSHOQIWRNE-UHFFFAOYSA-N	-1	0	258.339	3.115	40	0	in-vitro	CGABRM
CCn1c(C(=O)[O-])cc2ccc(Br)cc21	ZINC000059268897	288674623	/nfs/dbraw/zinc/67/46/23/288674623.db2.gz	RSBPGFRTIFRSJJ-UHFFFAOYSA-N	-1	0	268.110	3.122	40	0		CGABRM
C[C@H]1CC[C@H]([C@](O)(C(=O)[O-])C2CCCCC2)C[C@@H]1C	ZINC000005047863	300074480	/nfs/dbraw/zinc/07/44/80/300074480.db2.gz	JQCVRXQKGQZFHH-DUPGQFARSA-N	-1	0	268.397	3.455	40	0		CGABRM
O=C([O-])C(F)(F)Sc1nc2ccccc2s1	ZINC000059457493	527551551	/nfs/dbraw/zinc/55/15/51/527551551.db2.gz	SGLIQXNPAKAZMY-UHFFFAOYSA-N	-1	0	261.274	3.066	40	0		CGABRM
Cc1ccc2c(c1)[nH]cc2[C@@H](C(=O)[O-])C(F)(F)F	ZINC000255189583	567110903	/nfs/dbraw/zinc/11/09/03/567110903.db2.gz	QWCHIWUOJGLIET-JTQLQIEISA-N	-1	0	257.211	3.207	40	0		CGABRM
O=C([O-])CCCC(=O)c1cc(F)cc(C(F)(F)F)c1	ZINC000095740237	185024694	/nfs/dbraw/zinc/02/46/94/185024694.db2.gz	WXJPJOZCSBVCOU-UHFFFAOYSA-N	-1	0	278.201	3.282	40	0		CGABRM
O=C([O-])/C(=C/c1cccnc1)Sc1nc2ccccc2[nH]1	ZINC000050547853	345083375	/nfs/dbraw/zinc/08/33/75/345083375.db2.gz	LUFLQDZHVUPAOE-JYRVWZFOSA-N	-1	0	297.339	3.176	40	0		CGABRM
CCc1nc(CN(C)Cc2ccc(C(=O)[O-])s2)cs1	ZINC000328434901	346491974	/nfs/dbraw/zinc/49/19/74/346491974.db2.gz	BSWBEGAPRZKRIC-UHFFFAOYSA-N	-1	0	296.417	3.097	40	0		CGABRM
COc1cc(C(F)(F)F)c(Br)cc1C(=O)[O-]	ZINC000382672607	346561006	/nfs/dbraw/zinc/56/10/06/346561006.db2.gz	BMKHDCFFDYVPIE-UHFFFAOYSA-N	-1	0	299.042	3.175	40	0		CGABRM
COc1ccc(C(=O)[O-])cc1COCc1ccccc1	ZINC000131892547	187593902	/nfs/dbraw/zinc/59/39/02/187593902.db2.gz	XZQNCCGVXSZGHV-UHFFFAOYSA-N	-1	0	272.300	3.110	40	0		CGABRM
O=C([O-])C1(c2ccc(C(F)(F)F)cc2)CCC(=O)CC1	ZINC000090685325	304034997	/nfs/dbraw/zinc/03/49/97/304034997.db2.gz	JCBZDJUGVAAIBA-UHFFFAOYSA-N	-1	0	286.249	3.171	40	0		CGABRM
O=C([O-])C1=Nc2nc3ccccc3n2[C@@H]([C@@H]2CC=CCC2)C1	ZINC000102243723	304035790	/nfs/dbraw/zinc/03/57/90/304035790.db2.gz	MTYKKSCGUDUORH-IAQYHMDHSA-N	-1	0	295.342	3.328	40	0		CGABRM
Cc1cccc(C(=O)N[C@](C)(CC(=O)[O-])C(C)C)c1Cl	ZINC000262838201	138564170	/nfs/dbraw/zinc/56/41/70/138564170.db2.gz	CTOUHRDXXIQUCR-OAHLLOKOSA-N	-1	0	297.782	3.268	40	0		CGABRM
CC[C@@H](C(=O)[O-])N(CC)c1cc(Cl)ccc1C	ZINC000224992594	535437083	/nfs/dbraw/zinc/43/70/83/535437083.db2.gz	FXBZYJPCGAYRLK-NSHDSACASA-N	-1	0	255.745	3.338	40	0		CGABRM
O=C([O-])c1ccc(NC(=O)c2cccc(Cl)c2)cc1	ZINC000004201460	368536517	/nfs/dbraw/zinc/53/65/17/368536517.db2.gz	JLVWDGGRBGHXHX-UHFFFAOYSA-N	-1	0	275.691	3.291	40	0		CGABRM
CCOc1ccc(C(=O)Nc2cccc(C(=O)[O-])c2)cc1	ZINC000004201481	368537142	/nfs/dbraw/zinc/53/71/42/368537142.db2.gz	SQVAEXFEUBWNLU-UHFFFAOYSA-N	-1	0	285.299	3.036	40	0		CGABRM
COc1ccc(C(=O)[O-])cc1OCc1ccc(F)cc1	ZINC000011947730	368601034	/nfs/dbraw/zinc/60/10/34/368601034.db2.gz	GSYKIKDZSAJSCY-UHFFFAOYSA-N	-1	0	276.263	3.112	40	0		CGABRM
CC(C)OC(=O)c1ccc(-c2ccc(C(=O)[O-])o2)cc1	ZINC000016575527	368714947	/nfs/dbraw/zinc/71/49/47/368714947.db2.gz	KZLWWIYGSQJLOA-UHFFFAOYSA-N	-1	0	274.272	3.210	40	0		CGABRM
COc1ccc(OC)c2c(Cl)c(C(=O)[O-])sc21	ZINC000058234992	369558900	/nfs/dbraw/zinc/55/89/00/369558900.db2.gz	KTUFIOUUMWUFEQ-UHFFFAOYSA-N	-1	0	272.709	3.270	40	0		CGABRM
O=C([O-])c1c(F)ccc(OCc2ccccc2)c1F	ZINC000082163895	369999998	/nfs/dbraw/zinc/99/99/98/369999998.db2.gz	CBLROWGOGJMTRS-UHFFFAOYSA-N	-1	0	264.227	3.242	40	0		CGABRM
Cc1ccc(F)c2c(Br)c(C(=O)[O-])cnc12	ZINC000085386418	370017973	/nfs/dbraw/zinc/01/79/73/370017973.db2.gz	HFZNUNJUZFBODU-UHFFFAOYSA-N	-1	0	284.084	3.143	40	0		CGABRM
CCOC(=O)c1[nH]c2ccc(Cl)cc2c1/C=C\C(=O)[O-]	ZINC000098090084	370264270	/nfs/dbraw/zinc/26/42/70/370264270.db2.gz	FJAKZAZXMRSESS-XQRVVYSFSA-N	-1	0	293.706	3.096	40	0		CGABRM
Cc1[n-]n(-c2ccccc2)c(=O)c1Cc1ccccc1	ZINC000100998731	370286085	/nfs/dbraw/zinc/28/60/85/370286085.db2.gz	RYGSWLNQJYEQQO-MRXNPFEDSA-N	-1	0	264.328	3.268	40	0		CGABRM
O=C1O[C@H](c2ccccc2)C([O-])=C1c1ccccc1	ZINC000104321928	370343947	/nfs/dbraw/zinc/34/39/47/370343947.db2.gz	QOZLFBARPXJJFW-OAHLLOKOSA-N	-1	0	252.269	3.254	40	0		CGABRM
COc1ccc(/C=C/C(=O)[O-])cc1NC(=O)c1ccccc1	ZINC000196408576	376118939	/nfs/dbraw/zinc/11/89/39/376118939.db2.gz	HJTMWXIVSKVGCS-CSKARUKUSA-N	-1	0	297.310	3.045	40	0		CGABRM
C[C@@H](C(=O)[O-])N1c2cc(F)ccc2[C@@H](C)CC1(C)C	ZINC000223829650	376264521	/nfs/dbraw/zinc/26/45/21/376264521.db2.gz	DCXSYZDBTIOBPF-UWVGGRQHSA-N	-1	0	265.328	3.391	40	0		CGABRM
CC(C)O[C@H](Cc1ccc(Cl)cc1Cl)C(=O)[O-]	ZINC000225087056	376295403	/nfs/dbraw/zinc/29/54/03/376295403.db2.gz	SUABFTDSCFUIFT-LLVKDONJSA-N	-1	0	277.147	3.414	40	0		CGABRM
CCCCOc1c(Br)cc(F)cc1C(=O)[O-]	ZINC000225277708	376300292	/nfs/dbraw/zinc/30/02/92/376300292.db2.gz	MATDSVCAOSBEAO-UHFFFAOYSA-N	-1	0	291.116	3.465	40	0		CGABRM
CCCn1c2cc(C)c(C)cc2nc1CCCC(=O)[O-]	ZINC000225294844	376301829	/nfs/dbraw/zinc/30/18/29/376301829.db2.gz	JJHNOTPETZXGFH-UHFFFAOYSA-N	-1	0	274.364	3.470	40	0		CGABRM
C[C@@H]1CC[C@@H]2[C@@H](O1)c1c(O)c(C=O)ccc1OC2(C)C	ZINC000257256193	377796321	/nfs/dbraw/zinc/79/63/21/377796321.db2.gz	KKKTUXZSMQLFTM-XDMRBOTDSA-N	-1	0	276.332	3.232	40	0		CGABRM
O=C([O-])[C@@H]1CCC(F)(F)C[C@@H]1OCc1ccccc1	ZINC000575440806	377912160	/nfs/dbraw/zinc/91/21/60/377912160.db2.gz	HOVQTAVMLVGBLU-NEPJUHHUSA-N	-1	0	270.275	3.092	40	0		CGABRM
O=C([O-])c1c(I)ccc2ccccc21	ZINC000071256561	304217643	/nfs/dbraw/zinc/21/76/43/304217643.db2.gz	LPFTVSOXDVTMBY-UHFFFAOYSA-N	-1	0	298.079	3.143	40	0		CGABRM
O=C([O-])[C@H]1C[C@@H]1c1ccccc1OCCC(F)(F)F	ZINC000408715879	380021261	/nfs/dbraw/zinc/02/12/61/380021261.db2.gz	GCOWAJMMDDLBLI-ZJUUUORDSA-N	-1	0	274.238	3.206	40	0		CGABRM
CCCN(c1ccc(Cl)cc1)[C@@H](CC)C(=O)[O-]	ZINC000224989052	130805970	/nfs/dbraw/zinc/80/59/70/130805970.db2.gz	LWBPOWHQWQIYLQ-LBPRGKRZSA-N	-1	0	255.745	3.420	40	0		CGABRM
COc1sc(C(=O)[O-])c(OCC(F)(F)F)c1Cl	ZINC000096510980	392257884	/nfs/dbraw/zinc/25/78/84/392257884.db2.gz	QQBNCCGKFHLWQT-UHFFFAOYSA-N	-1	0	290.646	3.049	40	0		CGABRM
O=C([O-])c1ccc(OCc2ccccc2Cl)cc1O	ZINC000216754880	392992808	/nfs/dbraw/zinc/99/28/08/392992808.db2.gz	SRXPPXSBTHLVPW-UHFFFAOYSA-N	-1	0	278.691	3.323	40	0		CGABRM
C[C@H]1CCCC[C@@H]1N(CCC(=O)[O-])C(=O)OC(C)(C)C	ZINC000582468936	393204927	/nfs/dbraw/zinc/20/49/27/393204927.db2.gz	HYFMLESBANFGDH-RYUDHWBXSA-N	-1	0	285.384	3.277	40	0		CGABRM
CCCCOc1c(F)c(F)c(C(=O)[O-])c(F)c1F	ZINC000005309428	170084855	/nfs/dbraw/zinc/08/48/55/170084855.db2.gz	NSDKSZPCVZDGTD-UHFFFAOYSA-N	-1	0	266.190	3.120	40	0		CGABRM
COc1ccc(C(=O)c2cc(Cl)ccc2[O-])cc1	ZINC000005720466	170132833	/nfs/dbraw/zinc/13/28/33/170132833.db2.gz	YYJLBRCYBRPUDT-UHFFFAOYSA-N	-1	0	262.692	3.285	40	0		CGABRM
CCC[C@H](Nc1ccc(C)cc1Br)C(=O)[O-]	ZINC000008702824	170347496	/nfs/dbraw/zinc/34/74/96/170347496.db2.gz	YLRYCCWXYKQCHK-NSHDSACASA-N	-1	0	286.169	3.423	40	0		CGABRM
CCC[C@H](Nc1cccc(C(F)(F)F)c1)C(=O)[O-]	ZINC000008702786	170347568	/nfs/dbraw/zinc/34/75/68/170347568.db2.gz	AQXXCHXSCAOTCT-JTQLQIEISA-N	-1	0	261.243	3.371	40	0		CGABRM
CCN(CCC(=O)[O-])c1cccc(C(F)(F)F)c1	ZINC000020133803	171022299	/nfs/dbraw/zinc/02/22/99/171022299.db2.gz	WJYPTFXMZBDOJV-UHFFFAOYSA-N	-1	0	261.243	3.006	40	0		CGABRM
O=C([O-])c1cc(NC(=O)c2cccc(F)c2)ccc1Cl	ZINC000020138095	171025251	/nfs/dbraw/zinc/02/52/51/171025251.db2.gz	QBVXMVYXQZZLFU-UHFFFAOYSA-N	-1	0	293.681	3.430	40	0		CGABRM
CC(C)Oc1ccc(C(=O)Nc2cccc(C(=O)[O-])c2)cc1	ZINC000020141815	171028459	/nfs/dbraw/zinc/02/84/59/171028459.db2.gz	QGRCVPLUCMNUTC-UHFFFAOYSA-N	-1	0	299.326	3.424	40	0		CGABRM
Cc1cccc(NC(=O)Nc2ccc(C(=O)[O-])c(O)c2)c1	ZINC000022150104	171358318	/nfs/dbraw/zinc/35/83/18/171358318.db2.gz	AGYCFRBUEIMNLP-UHFFFAOYSA-N	-1	0	286.287	3.043	40	0		CGABRM
CC(C)[C@H](NC(=O)/C=C/c1cccc2ccccc12)C(=O)[O-]	ZINC000033449307	171803740	/nfs/dbraw/zinc/80/37/40/171803740.db2.gz	GZZGDMKJIRIJPU-DVQDXYAYSA-N	-1	0	297.354	3.078	40	0		CGABRM
Cc1ccn2c(/C=C/C(=O)[O-])c(-c3ccccc3)nc2c1	ZINC000035622803	172303802	/nfs/dbraw/zinc/30/38/02/172303802.db2.gz	PHDWLZXGTMYRDG-BQYQJAHWSA-N	-1	0	278.311	3.408	40	0		CGABRM
O=C([O-])c1cnc(-c2cc(Cl)cc(Cl)c2)nc1	ZINC000039957361	174179851	/nfs/dbraw/zinc/17/98/51/174179851.db2.gz	PPTDGGYGZPLAPV-UHFFFAOYSA-N	-1	0	269.087	3.149	40	0		CGABRM
C[C@H](CCc1ccccc1)Nc1ccc(C(=O)[O-])cc1N	ZINC000044483162	175180061	/nfs/dbraw/zinc/18/00/61/175180061.db2.gz	JHDXNCAIACBOMF-GFCCVEGCSA-N	-1	0	284.359	3.400	40	0		CGABRM
O=C([O-])c1c(OCC2CC2)cnc2cc(Cl)ccc21	ZINC000685937731	544110245	/nfs/dbraw/zinc/11/02/45/544110245.db2.gz	YMFUJCBKKVNMPR-UHFFFAOYSA-N	-1	0	277.707	3.375	40	0		CGABRM
O=C([O-])c1cc2cc(Cl)ccc2nc1OCC1CC1	ZINC000685937559	544110313	/nfs/dbraw/zinc/11/03/13/544110313.db2.gz	RDGMYAWWEHDFRJ-UHFFFAOYSA-N	-1	0	277.707	3.375	40	0		CGABRM
CN(C)c1ccc2c(Cl)c(C(=O)[O-])sc2c1	ZINC000058234922	289412017	/nfs/dbraw/zinc/41/20/17/289412017.db2.gz	BOWBJTUBLQUZGV-UHFFFAOYSA-N	-1	0	255.726	3.319	40	0		CGABRM
Cc1cccn1-c1sc2c(c1C(=O)[O-])CCCC2	ZINC000003844222	302228079	/nfs/dbraw/zinc/22/80/79/302228079.db2.gz	RZGZOUDDHOJJEW-UHFFFAOYSA-N	-1	0	261.346	3.424	40	0		CGABRM
Cc1nc2ccccc2nc1COc1ccc(C(=O)[O-])cc1	ZINC000008300233	302668006	/nfs/dbraw/zinc/66/80/06/302668006.db2.gz	LYLHRFIZEJPXLR-UHFFFAOYSA-N	-1	0	294.310	3.215	40	0		CGABRM
O=C([O-])CCCC(=O)c1ccc(OC(F)(F)F)c(F)c1	ZINC000095740241	185024651	/nfs/dbraw/zinc/02/46/51/185024651.db2.gz	CUHKRPKTWYQYNE-UHFFFAOYSA-N	-1	0	294.200	3.162	40	0		CGABRM
O=C([O-])/C(=C/c1ccco1)Sc1nc2ccccc2[nH]1	ZINC000050547818	345083188	/nfs/dbraw/zinc/08/31/88/345083188.db2.gz	GKCSUVUJZHOFFU-WQLSENKSSA-N	-1	0	286.312	3.374	40	0		CGABRM
CC(C)(C)[C@H]1C[C@H](Oc2cccc(N)c2)CCN1C(=O)[O-]	ZINC000098213385	185701057	/nfs/dbraw/zinc/70/10/57/185701057.db2.gz	XWXAYHNMDRHAQS-ZIAGYGMSSA-N	-1	0	292.379	3.205	40	0		CGABRM
CCCC(O)(CCC)[C@]1(C)CC[C@H](C(=O)[O-])C(C)(C)O1	ZINC000003845863	282610216	/nfs/dbraw/zinc/61/02/16/282610216.db2.gz	LMBCHCOQJPCSGJ-DOMZBBRYSA-N	-1	0	286.412	3.366	40	0		CGABRM
O=C([O-])c1cc(OCc2cccc(F)c2)cs1	ZINC000091341971	180137189	/nfs/dbraw/zinc/13/71/89/180137189.db2.gz	UPPINUJIACYWSX-UHFFFAOYSA-N	-1	0	252.266	3.164	40	0		CGABRM
O=C([O-])/C=C/c1c[nH]c2ccc(Br)cc12	ZINC000020269241	304023488	/nfs/dbraw/zinc/02/34/88/304023488.db2.gz	VEZZTLSINAKFJT-DAFODLJHSA-N	-1	0	266.094	3.028	40	0		CGABRM
O=C([O-])C1(Cc2ccccc2)Cc2ccccc2C1	ZINC000001645338	304030542	/nfs/dbraw/zinc/03/05/42/304030542.db2.gz	LQYPNYVOQJOFTF-UHFFFAOYSA-N	-1	0	252.313	3.099	40	0		CGABRM
O=C([O-])CC12C[C@H]3C[C@H](CC(Br)(C3)C1)C2	ZINC000000085548	304044132	/nfs/dbraw/zinc/04/41/32/304044132.db2.gz	HFGLWCBEPPFDDJ-LRSDLPTKSA-N	-1	0	273.170	3.195	40	0		CGABRM
CCCN(c1cc(C)ccc1OC)[C@@H](CC)C(=O)[O-]	ZINC000225001779	283308599	/nfs/dbraw/zinc/30/85/99/283308599.db2.gz	ZZQXSRUOUNFINE-LBPRGKRZSA-N	-1	0	265.353	3.083	40	0		CGABRM
Cc1ccc(C[C@H](OCC(C)C)C(=O)[O-])cc1Cl	ZINC000225081668	189743865	/nfs/dbraw/zinc/74/38/65/189743865.db2.gz	FNIOGDJUWYNAKY-ZDUSSCGKSA-N	-1	0	270.756	3.317	40	0		CGABRM
CCCCO[C@@H](Cc1ccccc1Cl)C(=O)[O-]	ZINC000225057639	189744062	/nfs/dbraw/zinc/74/40/62/189744062.db2.gz	NHIIPVIEFFHYQQ-LBPRGKRZSA-N	-1	0	256.729	3.152	40	0		CGABRM
CCCO[C@@H](Cc1c(C)cc(C)cc1C)C(=O)[O-]	ZINC000225137665	189744687	/nfs/dbraw/zinc/74/46/87/189744687.db2.gz	MITNJDZVZDYTKP-AWEZNQCLSA-N	-1	0	250.338	3.034	40	0		CGABRM
CC1(C)[C@@]2(C)CC[C@]1(C(=O)[O-])c1nc3ccccc3nc12	ZINC000000352899	368345485	/nfs/dbraw/zinc/34/54/85/368345485.db2.gz	LUUJHZGITMOXBL-DLBZAZTESA-N	-1	0	282.343	3.044	40	0		CGABRM
Cc1ccc(NC(=O)C2=C(C(=O)[O-])CCCC2)cc1F	ZINC000000807009	368396290	/nfs/dbraw/zinc/39/62/90/368396290.db2.gz	QOJUXDGCAJYELP-UHFFFAOYSA-N	-1	0	277.295	3.028	40	0		CGABRM
O=C([O-])CCCc1ccc2c(c1)-c1ccccc1S2=O	ZINC000001692859	368433238	/nfs/dbraw/zinc/43/32/38/368433238.db2.gz	YRFNNJPTZZCMJN-UHFFFAOYSA-N	-1	0	286.352	3.241	40	0		CGABRM
Cc1cccc(-c2cnn(-c3ccc(C(=O)[O-])cc3)c2N)c1	ZINC000004290730	368540546	/nfs/dbraw/zinc/54/05/46/368540546.db2.gz	VEAPLCFUWKBSPH-UHFFFAOYSA-N	-1	0	293.326	3.128	40	0		CGABRM
Cc1ccc(C)c(NC(=O)COc2ccc(C(=O)[O-])cc2)c1	ZINC000013079811	368642768	/nfs/dbraw/zinc/64/27/68/368642768.db2.gz	ALPIVKIEMMIBGO-UHFFFAOYSA-N	-1	0	299.326	3.019	40	0		CGABRM
CCc1nc(-c2cc(F)ccc2F)c(C(=O)[O-])s1	ZINC000016158381	368708945	/nfs/dbraw/zinc/70/89/45/368708945.db2.gz	ZVRCKRZDONTKAO-UHFFFAOYSA-N	-1	0	269.272	3.349	40	0		CGABRM
O=C([O-])CSc1ccnc2c1cccc2C(F)(F)F	ZINC000026507612	368861451	/nfs/dbraw/zinc/86/14/51/368861451.db2.gz	FJECZMWWGLMKIL-UHFFFAOYSA-N	-1	0	287.262	3.430	40	0		CGABRM
[O-]c1c(Cl)cc(Br)c2cccnc12	ZINC000027524105	368873199	/nfs/dbraw/zinc/87/31/99/368873199.db2.gz	UNUZFXMRJIKULJ-UHFFFAOYSA-N	-1	0	258.502	3.356	40	0		CGABRM
O=C([O-])[C@@H]1[C@@H]2C=C[C@@H](C2)C1(C(F)(F)F)C(F)(F)F	ZINC000005290541	304155465	/nfs/dbraw/zinc/15/54/65/304155465.db2.gz	UAMJAXATTKYUOP-SRQIZXRXSA-N	-1	0	274.160	3.004	40	0		CGABRM
O=C([O-])[C@@H](c1c[nH]c2ccc(F)cc21)C(F)(F)F	ZINC000206379973	376128774	/nfs/dbraw/zinc/12/87/74/376128774.db2.gz	ZZKCUADKNFAZKF-SECBINFHSA-N	-1	0	261.174	3.038	40	0		CGABRM
CCCc1ccc(C(=O)[O-])n1Cc1ccc(F)cc1	ZINC000226026201	376338949	/nfs/dbraw/zinc/33/89/49/376338949.db2.gz	DAKUYDYHXOSXKI-UHFFFAOYSA-N	-1	0	261.296	3.326	40	0		CGABRM
Cc1ccccc1O[C@H](Cc1ccccc1)C(=O)[O-]	ZINC000225013122	376291525	/nfs/dbraw/zinc/29/15/25/376291525.db2.gz	OWDMEIGMPQURSZ-OAHLLOKOSA-N	-1	0	256.301	3.070	40	0		CGABRM
COc1cccc(O[C@@H](Cc2ccccc2C)C(=O)[O-])c1	ZINC000225015782	376291825	/nfs/dbraw/zinc/29/18/25/376291825.db2.gz	BAELJXNLKZZRRI-INIZCTEOSA-N	-1	0	286.327	3.078	40	0		CGABRM
Cc1cccc(C[C@@H](Oc2ccccc2)C(=O)[O-])c1	ZINC000225016982	376292062	/nfs/dbraw/zinc/29/20/62/376292062.db2.gz	DJGKEILHZMYFLK-OAHLLOKOSA-N	-1	0	256.301	3.070	40	0		CGABRM
CCCCO[C@@H](Cc1cccc(Cl)c1)C(=O)[O-]	ZINC000225060273	376293406	/nfs/dbraw/zinc/29/34/06/376293406.db2.gz	MLMRSKQYFLXUAL-LBPRGKRZSA-N	-1	0	256.729	3.152	40	0		CGABRM
COc1cccc(C[C@H](Oc2cccc(C)c2)C(=O)[O-])c1	ZINC000225098814	376295524	/nfs/dbraw/zinc/29/55/24/376295524.db2.gz	RHTWHJFEIBADRM-INIZCTEOSA-N	-1	0	286.327	3.078	40	0		CGABRM
Cc1ccc(Cl)cc1C[C@@H](OC(C)C)C(=O)[O-]	ZINC000225078710	376295647	/nfs/dbraw/zinc/29/56/47/376295647.db2.gz	RLZUJSHMAMKANA-GFCCVEGCSA-N	-1	0	256.729	3.069	40	0		CGABRM
CCO/C(=C\c1ccccc1Cl)c1n[n-]c(=N)s1	ZINC000408718488	380021190	/nfs/dbraw/zinc/02/11/90/380021190.db2.gz	ZOZBQYKQPDVEPA-YFHOEESVSA-N	-1	0	281.768	3.139	40	0		CGABRM
CC(C)Oc1cccc([N-]S(=O)(=O)c2cccs2)c1	ZINC000352974034	380061615	/nfs/dbraw/zinc/06/16/15/380061615.db2.gz	PBOHKXWNLNCMGK-UHFFFAOYSA-N	-1	0	297.401	3.336	40	0		CGABRM
O=C([O-])c1ccc(N2CCC[C@H]2c2ccccc2)nc1	ZINC000006732262	304246705	/nfs/dbraw/zinc/24/67/05/304246705.db2.gz	KEFHBWLOLUMEGS-AWEZNQCLSA-N	-1	0	268.316	3.121	40	0		CGABRM
O=C([O-])c1cccc2c1S[C@H](c1ccccc1)OC2=O	ZINC000005662935	304266326	/nfs/dbraw/zinc/26/63/26/304266326.db2.gz	CSUYQZISSUDBJF-OAHLLOKOSA-N	-1	0	286.308	3.346	40	0		CGABRM
O=C([O-])C(Br)(c1ccccc1)c1ccccc1	ZINC000001593122	169721090	/nfs/dbraw/zinc/72/10/90/169721090.db2.gz	YSRJRZPENUVSNC-UHFFFAOYSA-N	-1	0	291.144	3.410	40	0		CGABRM
CN(CCCC(=O)[O-])c1cc(Cl)cc(Cl)c1	ZINC000224995478	130806066	/nfs/dbraw/zinc/80/60/66/130806066.db2.gz	YUMZRPJVPLHXLK-UHFFFAOYSA-N	-1	0	262.136	3.294	40	0		CGABRM
C[Si](C)(C)c1c(Cl)ccc(C(=O)[O-])c1Cl	ZINC000219790717	393002279	/nfs/dbraw/zinc/00/22/79/393002279.db2.gz	JIFFCTUGLRUYOY-UHFFFAOYSA-N	-1	0	263.196	3.237	40	0		CGABRM
O=c1nc(C(F)(F)F)[n-]c2sc3c(c21)CCCC3	ZINC000018045633	304847307	/nfs/dbraw/zinc/84/73/07/304847307.db2.gz	FRQPGEZXQNGIIY-UHFFFAOYSA-N	-1	0	274.267	3.295	40	0		CGABRM
CCCCn1nc(C)c2c1nc(C1CC1)cc2C(=O)[O-]	ZINC000004294492	169954976	/nfs/dbraw/zinc/95/49/76/169954976.db2.gz	WPXOUFWTYGVFPW-UHFFFAOYSA-N	-1	0	273.336	3.115	40	0		CGABRM
Cc1cccc(-n2c(Cc3cccn3C)n[n-]c2=S)c1C	ZINC000005901129	170152497	/nfs/dbraw/zinc/15/24/97/170152497.db2.gz	XNYPBUMPNGMHGP-UHFFFAOYSA-N	-1	0	298.415	3.476	40	0		CGABRM
CCCOc1cccc(C(=O)Nc2cccc(C(=O)[O-])c2)c1	ZINC000020141456	171027965	/nfs/dbraw/zinc/02/79/65/171027965.db2.gz	PZEUJVGRKUBSOW-UHFFFAOYSA-N	-1	0	299.326	3.426	40	0		CGABRM
COc1ccccc1[C@H](C)Nc1nc(C)c(C(=O)[O-])s1	ZINC000020156593	171039264	/nfs/dbraw/zinc/03/92/64/171039264.db2.gz	YIKLELHWZBVNCB-QMMMGPOBSA-N	-1	0	292.360	3.331	40	0		CGABRM
Cc1oc2c(c1C(=O)[O-])C(=O)C[C@H](c1cccs1)C2	ZINC000022127085	171354586	/nfs/dbraw/zinc/35/45/86/171354586.db2.gz	RUPAJRGSHWOHGN-QMMMGPOBSA-N	-1	0	276.313	3.260	40	0		CGABRM
Cc1nc(Cc2ccc(Cl)c(Cl)c2)ncc1C(=O)[O-]	ZINC000050038917	175507333	/nfs/dbraw/zinc/50/73/33/175507333.db2.gz	UNELOOFOQHUSTF-UHFFFAOYSA-N	-1	0	297.141	3.381	40	0		CGABRM
CC(C)(C(=O)[O-])c1csc(Nc2ccc(F)cc2)n1	ZINC000078404230	177338534	/nfs/dbraw/zinc/33/85/34/177338534.db2.gz	JPFYLRACCVWGRI-UHFFFAOYSA-N	-1	0	280.324	3.388	40	0		CGABRM
N=c1[n-]nc(/C(=C/c2ccco2)c2ccccc2)s1	ZINC000408718061	260028011	/nfs/dbraw/zinc/02/80/11/260028011.db2.gz	GJYGNTZASTXLOY-FMIVXFBMSA-N	-1	0	269.329	3.133	40	0		CGABRM
CCCN(c1ccc(Cl)cc1C)[C@H](C)C(=O)[O-]	ZINC000260677473	328007025	/nfs/dbraw/zinc/00/70/25/328007025.db2.gz	GCYCDLBGQLRTQM-SNVBAGLBSA-N	-1	0	255.745	3.338	40	0		CGABRM
C=CCOc1c(Cl)cc(C(=O)[O-])cc1OCC	ZINC000007604080	344869092	/nfs/dbraw/zinc/86/90/92/344869092.db2.gz	LOSIHGIYIDVXCO-UHFFFAOYSA-N	-1	0	256.685	3.002	40	0		CGABRM
C[C@H](c1ccccc1)N(CCC(=O)[O-])C(=O)OC(C)(C)C	ZINC000034929460	344941333	/nfs/dbraw/zinc/94/13/33/344941333.db2.gz	PMBGDAFUCQKQEP-GFCCVEGCSA-N	-1	0	293.363	3.459	40	0		CGABRM
O=C([O-])c1cc(F)c(OCc2ccccc2)cc1F	ZINC000221726947	346298707	/nfs/dbraw/zinc/29/87/07/346298707.db2.gz	NOPGXISARNZOPB-UHFFFAOYSA-N	-1	0	264.227	3.242	40	0		CGABRM
O=C([O-])c1coc(Cc2cccc3ccccc32)n1	ZINC000585656408	346726401	/nfs/dbraw/zinc/72/64/01/346726401.db2.gz	YWBFELVPQBQTBO-UHFFFAOYSA-N	-1	0	253.257	3.117	40	0		CGABRM
C[C@@H](C(=O)[O-])N1c2ccc(F)cc2[C@@H](C)CC1(C)C	ZINC000223191596	295802652	/nfs/dbraw/zinc/80/26/52/295802652.db2.gz	LNIQFGDNEODLQD-UWVGGRQHSA-N	-1	0	265.328	3.391	40	0		CGABRM
O=C([O-])C1=N[C@H](c2ccccc2)c2cc(Cl)ccc2N1	ZINC000085224794	304036415	/nfs/dbraw/zinc/03/64/15/304036415.db2.gz	QECBNIFGTIYTMP-CYBMUJFWSA-N	-1	0	286.718	3.147	40	0		CGABRM
O=C([O-])c1ccc(OCc2cccc(Cl)c2)cc1O	ZINC000216933103	189707150	/nfs/dbraw/zinc/70/71/50/189707150.db2.gz	SLNCFXNDWXQJCR-UHFFFAOYSA-N	-1	0	278.691	3.323	40	0		CGABRM
[O-]c1c(Br)cc(Cl)cc1-c1csnn1	ZINC000010231850	368578030	/nfs/dbraw/zinc/57/80/30/368578030.db2.gz	ZUTWJHLAOUPECJ-UHFFFAOYSA-N	-1	0	291.557	3.327	40	0		CGABRM
CC(C)CCC[C@](C)(O)c1ccc(C(=O)[O-])cc1O	ZINC000013482266	368654272	/nfs/dbraw/zinc/65/42/72/368654272.db2.gz	VZXPWVDKXCYHSI-HNNXBMFYSA-N	-1	0	266.337	3.124	40	0	biogenic,in-vitro	CGABRM
COc1cccc2cc3cc(C(=O)[O-])sc3nc21	ZINC000020131722	368805098	/nfs/dbraw/zinc/80/50/98/368805098.db2.gz	NZEBLYIHASWZDY-UHFFFAOYSA-N	-1	0	259.286	3.156	40	0		CGABRM
COc1cc(Br)ccc1-c1ccc(C(=O)[O-])o1	ZINC000057353752	369536176	/nfs/dbraw/zinc/53/61/76/369536176.db2.gz	OHYVVWLLUUMFLD-UHFFFAOYSA-N	-1	0	297.104	3.416	40	0		CGABRM
O=C([O-])c1ccc(NCCC(=O)c2cccs2)cc1	ZINC000055174989	369511979	/nfs/dbraw/zinc/51/19/79/369511979.db2.gz	NTZBMSVFALWOBO-UHFFFAOYSA-N	-1	0	275.329	3.131	40	0		CGABRM
Cc1ccc(F)c2c3nn(-c4ccccc4)c(=O)c-3c[n-]c12	ZINC000064874837	369660612	/nfs/dbraw/zinc/66/06/12/369660612.db2.gz	KSECJZIEADCSAU-UHFFFAOYSA-N	-1	0	293.301	3.315	40	0		CGABRM
Cc1nc2ccc(-c3ccccc3)cn2c1C(=O)[O-]	ZINC000077434330	369945709	/nfs/dbraw/zinc/94/57/09/369945709.db2.gz	LVVLTVIVMAAIFN-UHFFFAOYSA-N	-1	0	252.273	3.008	40	0		CGABRM
CC(C)(C)OC(=O)C=C([O-])c1ccccc1Cl	ZINC000096330794	370210531	/nfs/dbraw/zinc/21/05/31/370210531.db2.gz	YNKBEIHGXRCYFQ-UHFFFAOYSA-N	-1	0	254.713	3.255	40	0		CGABRM
C[C@@](O)(CC(=O)C=C([O-])c1ccccc1)c1ccccc1	ZINC000102816181	370311965	/nfs/dbraw/zinc/31/19/65/370311965.db2.gz	LCVNXOXRFNAUTN-GOSISDBHSA-N	-1	0	282.339	3.126	40	0		CGABRM
O=C([O-])[C@H]1CCCCN1Cc1cc(Cl)sc1Cl	ZINC000009498851	304180137	/nfs/dbraw/zinc/18/01/37/304180137.db2.gz	UCPNLUZLBFREMB-MRVPVSSYSA-N	-1	0	294.203	3.494	40	0		CGABRM
O=C([O-])[C@H]1CCCC[C@H]1C(=O)c1ccc(Cl)s1	ZINC000095728680	304181755	/nfs/dbraw/zinc/18/17/55/304181755.db2.gz	JASJKIRHWRVPIX-SFYZADRCSA-N	-1	0	272.753	3.475	40	0		CGABRM
CC[C@H](C)n1ccc(NCc2ccccc2C(=O)[O-])n1	ZINC000256051158	190003991	/nfs/dbraw/zinc/00/39/91/190003991.db2.gz	HZOIRSAASRVDPC-NSHDSACASA-N	-1	0	273.336	3.164	40	0		CGABRM
CCc1ccc(C(=O)[O-])n1Cc1ccc(Cl)cc1	ZINC000226022567	376338618	/nfs/dbraw/zinc/33/86/18/376338618.db2.gz	PXKNYKQXCBKSHU-UHFFFAOYSA-N	-1	0	263.724	3.450	40	0		CGABRM
COc1cccc(O[C@@H](Cc2ccc(C)cc2)C(=O)[O-])c1	ZINC000225020648	376293421	/nfs/dbraw/zinc/29/34/21/376293421.db2.gz	LSZPQAFFRSWDTO-INIZCTEOSA-N	-1	0	286.327	3.078	40	0		CGABRM
CCc1ccccc1C[C@H](Oc1ccccc1)C(=O)[O-]	ZINC000225039209	376293831	/nfs/dbraw/zinc/29/38/31/376293831.db2.gz	MOMPVKFBZRYNEU-INIZCTEOSA-N	-1	0	270.328	3.324	40	0		CGABRM
COc1ccc2c(c1)N([C@@H](C)C(=O)[O-])C(C)(C)C[C@H]2C	ZINC000260625017	377808643	/nfs/dbraw/zinc/80/86/43/377808643.db2.gz	XYNSJWSRUUNYOV-MNOVXSKESA-N	-1	0	277.364	3.261	40	0		CGABRM
O=C([O-])c1cc2c3c(ccc2oc1=O)oc1c3CCCC1	ZINC000003175793	304229065	/nfs/dbraw/zinc/22/90/65/304229065.db2.gz	WQSQOFMASZHGAQ-UHFFFAOYSA-N	-1	0	284.267	3.116	40	0		CGABRM
O=C([O-])c1cccn1-c1ccc(Cl)cc1Cl	ZINC000035431515	304271768	/nfs/dbraw/zinc/27/17/68/304271768.db2.gz	ROVVMNHDZMVJPP-UHFFFAOYSA-N	-1	0	256.088	3.482	40	0		CGABRM
O=C([O-])c1ccnc([C@@H]2CCCC23SCCS3)c1	ZINC000217630335	304273781	/nfs/dbraw/zinc/27/37/81/304273781.db2.gz	RMSWBVYYIBMKRM-JTQLQIEISA-N	-1	0	281.402	3.224	40	0		CGABRM
O=C([O-])c1cnc(-c2ccc(Cl)cc2)nc1Cl	ZINC000084171530	304275203	/nfs/dbraw/zinc/27/52/03/304275203.db2.gz	XTZJZAWONWPILR-UHFFFAOYSA-N	-1	0	269.087	3.149	40	0		CGABRM
CC(C)c1ccccc1NC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)[O-]	ZINC000005094706	391923214	/nfs/dbraw/zinc/92/32/14/391923214.db2.gz	IECCRQGEQGKYIK-KOZAUXTDSA-N	-1	0	299.370	3.271	40	0		CGABRM
CCc1c(C(=O)[O-])noc1-c1ccc(Cl)cc1	ZINC000072220496	392201430	/nfs/dbraw/zinc/20/14/30/392201430.db2.gz	QHQHUAHWLRCYIJ-UHFFFAOYSA-N	-1	0	251.669	3.256	40	0		CGABRM
CO[C@@H](c1ccc(SCC(=O)[O-])cc1)C(C)C	ZINC000072220268	392201871	/nfs/dbraw/zinc/20/18/71/392201871.db2.gz	TZBNLEICFCEMKJ-CYBMUJFWSA-N	-1	0	254.351	3.207	40	0		CGABRM
Cc1c([O-])c2cccc(-c3ccccc3)c2oc1=O	ZINC000104187383	392277350	/nfs/dbraw/zinc/27/73/50/392277350.db2.gz	ZVGHTCFXSXDYGA-UHFFFAOYSA-N	-1	0	252.269	3.474	40	0		CGABRM
[O-]c1cc(F)cc(C(F)(F)F)c1Br	ZINC000169796813	397659832	/nfs/dbraw/zinc/65/98/32/397659832.db2.gz	DVYSUHZUJSNGJF-UHFFFAOYSA-N	-1	0	258.996	3.313	40	0		CGABRM
Cc1nc2c3ccccc3oc2c(SCCC(=O)[O-])n1	ZINC000003646837	169905732	/nfs/dbraw/zinc/90/57/32/169905732.db2.gz	VRZWSVGVTXPLPR-UHFFFAOYSA-N	-1	0	288.328	3.251	40	0		CGABRM
CCOc1ccccc1OCc1ccc(C(=O)[O-])cc1	ZINC000005592321	170116988	/nfs/dbraw/zinc/11/69/88/170116988.db2.gz	INOQSLGAUWEMCP-UHFFFAOYSA-N	-1	0	272.300	3.363	40	0		CGABRM
O=S(=O)([O-])[C@@H](Nc1ccc(Cl)cc1)c1ccccc1	ZINC000006582119	170215724	/nfs/dbraw/zinc/21/57/24/170215724.db2.gz	ZYPQCICJAQYAMI-CYBMUJFWSA-N	-1	0	297.763	3.339	40	0		CGABRM
COc1ccc2cc(C(=O)[O-])n(Cc3ccccc3)c2c1	ZINC000006751620	170240398	/nfs/dbraw/zinc/24/03/98/170240398.db2.gz	OZGFOZZEKIZGON-UHFFFAOYSA-N	-1	0	281.311	3.396	40	0		CGABRM
CCC[C@H](Nc1ccccc1Br)C(=O)[O-]	ZINC000008702800	170347546	/nfs/dbraw/zinc/34/75/46/170347546.db2.gz	XPWXCRRIEAXZLW-JTQLQIEISA-N	-1	0	272.142	3.114	40	0		CGABRM
CCCCCCSc1ncc(/C=C/C(=O)[O-])cn1	ZINC000008730894	170350683	/nfs/dbraw/zinc/35/06/83/170350683.db2.gz	PLRUHZSWWHNGMD-VOTSOKGWSA-N	-1	0	266.366	3.247	40	0		CGABRM
O=C([O-])c1ccc(Cl)c(NC(=O)c2cccc(F)c2)c1	ZINC000013167606	170538352	/nfs/dbraw/zinc/53/83/52/170538352.db2.gz	QONZQUVWVFJLPE-UHFFFAOYSA-N	-1	0	293.681	3.430	40	0		CGABRM
CC(C)Oc1cccc(C(=O)Nc2cccc(C(=O)[O-])c2)c1	ZINC000020141573	171027923	/nfs/dbraw/zinc/02/79/23/171027923.db2.gz	TUQDUTPJOHUWQH-UHFFFAOYSA-N	-1	0	299.326	3.424	40	0		CGABRM
CCc1cc(C)n(Cc2ccccc2C)c1C(=O)[O-]	ZINC000078405457	177338374	/nfs/dbraw/zinc/33/83/74/177338374.db2.gz	ZLHXDCOIROBWPX-UHFFFAOYSA-N	-1	0	257.333	3.414	40	0		CGABRM
O=C([O-])c1c(OC2CC2)cnc2c(Cl)cccc21	ZINC000685936866	544109588	/nfs/dbraw/zinc/10/95/88/544109588.db2.gz	DAPLYYSWRSGVTC-UHFFFAOYSA-N	-1	0	263.680	3.128	40	0		CGABRM
Nc1ccc(-c2ccc(/C=C/C(=O)[O-])o2)cc1Cl	ZINC000016385932	262025081	/nfs/dbraw/zinc/02/50/81/262025081.db2.gz	RCGSZNYIMUOVBE-ZZXKWVIFSA-N	-1	0	263.680	3.280	40	0		CGABRM
CC(C)CC(=O)Nc1ccccc1S[C@@H](C)C(=O)[O-]	ZINC000008732852	278721642	/nfs/dbraw/zinc/72/16/42/278721642.db2.gz	YXYILLYRYUDJJN-JTQLQIEISA-N	-1	0	281.377	3.236	40	0		CGABRM
COc1ccc(-c2cc(=O)c3c(C)cc([O-])cc3o2)cc1	ZINC000001711027	295046186	/nfs/dbraw/zinc/04/61/86/295046186.db2.gz	MXUWRDXGCPTUKB-UHFFFAOYSA-N	-1	0	282.295	3.483	40	0		CGABRM
C[Si](C)(C)c1ccc(C(=O)[O-])c(Cl)c1Cl	ZINC000196206241	300888596	/nfs/dbraw/zinc/88/85/96/300888596.db2.gz	WFIZVQRVCLELEZ-UHFFFAOYSA-N	-1	0	263.196	3.237	40	0		CGABRM
Cc1cc(F)c(Br)c2ccc(C(=O)[O-])nc12	ZINC000085399939	301294707	/nfs/dbraw/zinc/29/47/07/301294707.db2.gz	OVBHEWUPXIYCPT-UHFFFAOYSA-N	-1	0	284.084	3.143	40	0		CGABRM
O=C([O-])[C@H]1CCc2nc(-c3cccs3)sc2C1	ZINC000057553368	526330801	/nfs/dbraw/zinc/33/08/01/526330801.db2.gz	SODDQWFHUGHHQH-ZETCQYMHSA-N	-1	0	265.359	3.061	40	0		CGABRM
CC(=C1SC([O-])=NC1=O)c1ccc(Br)cc1	ZINC000115662486	345972596	/nfs/dbraw/zinc/97/25/96/345972596.db2.gz	PGZFZYGTIUYBSL-RMKNXTFCSA-N	-1	0	298.161	3.163	40	0		CGABRM
O=C([O-])C1(COc2ccc(Br)cc2)CCC1	ZINC000085390471	179047617	/nfs/dbraw/zinc/04/76/17/179047617.db2.gz	HZJNGUGVHPLABD-UHFFFAOYSA-N	-1	0	285.137	3.083	40	0		CGABRM
O=C([O-])C1(Cc2ccccc2C(F)(F)F)CCOCC1	ZINC000098214172	304030369	/nfs/dbraw/zinc/03/03/69/304030369.db2.gz	CUJNTKZMENTSPV-UHFFFAOYSA-N	-1	0	288.265	3.129	40	0		CGABRM
O=C([O-])CO[C@@H](c1ccc(Cl)cc1)C(F)(F)F	ZINC000095096425	304070422	/nfs/dbraw/zinc/07/04/22/304070422.db2.gz	GSXJLZRIZZQJLW-VIFPVBQESA-N	-1	0	268.618	3.045	40	0		CGABRM
CCCCc1ccc(C[C@H](OCC)C(=O)[O-])cc1	ZINC000225129768	189744359	/nfs/dbraw/zinc/74/43/59/189744359.db2.gz	XALPWGULSQVQCC-AWEZNQCLSA-N	-1	0	250.338	3.061	40	0		CGABRM
COc1ccccc1/C(=C/c1ccccc1)C(=O)[O-]	ZINC000000169766	368307651	/nfs/dbraw/zinc/30/76/51/368307651.db2.gz	GHIYKYUBHWCPTK-KAMYIIQDSA-N	-1	0	254.285	3.320	40	0		CGABRM
Cc1cccc(C(=O)Nc2ccc(C(=O)[O-])cc2C)c1	ZINC000013391272	368653715	/nfs/dbraw/zinc/65/37/15/368653715.db2.gz	KAHACTLOVOJXKX-UHFFFAOYSA-N	-1	0	269.300	3.254	40	0		CGABRM
CCCN(c1cccc(C(F)(F)F)c1)[C@@H](C)C(=O)[O-]	ZINC000224996518	376292326	/nfs/dbraw/zinc/29/23/26/376292326.db2.gz	CVCSUSYVKFXNFY-VIFPVBQESA-N	-1	0	275.270	3.395	40	0		CGABRM
Cc1ccc(C[C@@H](OC(C)C)C(=O)[O-])cc1Cl	ZINC000225081442	376294585	/nfs/dbraw/zinc/29/45/85/376294585.db2.gz	LURRLMAWUAIRJO-GFCCVEGCSA-N	-1	0	256.729	3.069	40	0		CGABRM
COc1cccc2c1N([C@H](C)C(=O)[O-])C(C)(C)C=C2C	ZINC000260621954	377808444	/nfs/dbraw/zinc/80/84/44/377808444.db2.gz	PYBMOLJKXVKYFV-LLVKDONJSA-N	-1	0	275.348	3.170	40	0		CGABRM
O=C([O-])c1ccccc1C(=O)O[C@@H]1C[C@H]2CC[C@]23CC[C@H]13	ZINC000005031266	304267272	/nfs/dbraw/zinc/26/72/72/304267272.db2.gz	XRSKZGAGTGEUHF-PRBJMDPQSA-N	-1	0	286.327	3.120	40	0		CGABRM
CC(C)=C1[C@@H]2C=C[C@H]1[C@@H](C(=O)Nc1ccccc1)[C@H]2C(=O)[O-]	ZINC000004954406	391922428	/nfs/dbraw/zinc/92/24/28/391922428.db2.gz	VBKXOMDYNGQWFA-CLWVCHIJSA-N	-1	0	297.354	3.094	40	0		CGABRM
CC(C)N1CCC[C@@H]1c1nccnc1[N-]c1nccs1	ZINC000072386489	392206074	/nfs/dbraw/zinc/20/60/74/392206074.db2.gz	FHXCQUYDAJCWJS-LLVKDONJSA-N	-1	0	289.408	3.222	40	0		CGABRM
CCOc1cc(C(=O)[O-])c2c(c1)C(C)=CC(C)(C)N2	ZINC000019819545	286554690	/nfs/dbraw/zinc/55/46/90/286554690.db2.gz	BGCBZXYIGZHOAO-UHFFFAOYSA-N	-1	0	261.321	3.391	40	0		CGABRM
O=C([O-])CCCCCCCCCC[C@@H]1CC[C@H](O)[C@H]1O	ZINC000004722557	170005333	/nfs/dbraw/zinc/00/53/33/170005333.db2.gz	NHWAOBNJSBDJAL-YCPHGPKFSA-N	-1	0	286.412	3.104	40	0	in-vitro	CGABRM
O=C([O-])c1ccccc1C(=O)O[C@@H]1CCc2ccccc2C1	ZINC000005733592	170135055	/nfs/dbraw/zinc/13/50/55/170135055.db2.gz	YXWOAAJGTWBKTO-CQSZACIVSA-N	-1	0	296.322	3.099	40	0		CGABRM
O=C([O-])CCSCC(=O)c1ccc(Cl)cc1Cl	ZINC000006925729	170255940	/nfs/dbraw/zinc/25/59/40/170255940.db2.gz	CAECOESMXPJLLX-UHFFFAOYSA-N	-1	0	293.171	3.384	40	0		CGABRM
O=C([O-])C=CNc1ccccc1Oc1ccccc1	ZINC000008436292	170336379	/nfs/dbraw/zinc/33/63/79/170336379.db2.gz	LHERAUHAWXMJLH-ZHACJKMWSA-N	-1	0	255.273	3.489	40	0		CGABRM
O=C([O-])c1ccc(CNc2ccc(F)c(Cl)c2)o1	ZINC000008729679	170350448	/nfs/dbraw/zinc/35/04/48/170350448.db2.gz	PVSSVFDLSOBNIX-UHFFFAOYSA-N	-1	0	269.659	3.382	40	0		CGABRM
COc1ccc(-n2[n-]c(-c3ccc(F)cc3)cc2=O)cc1	ZINC000009939687	170391493	/nfs/dbraw/zinc/39/14/93/170391493.db2.gz	SAVXXSIPPMGSOJ-UHFFFAOYSA-N	-1	0	284.290	3.393	40	0		CGABRM
CCOc1cc(/C=C/C(=O)[O-])ccc1O[C@H](C)CC	ZINC000020526712	171239828	/nfs/dbraw/zinc/23/98/28/171239828.db2.gz	VSHLUTPRFAXELB-MXMFLMJRSA-N	-1	0	264.321	3.360	40	0		CGABRM
O=C([O-])/C=C/c1cccc(NC(=O)Nc2ccccc2)c1	ZINC000049592895	175491078	/nfs/dbraw/zinc/49/10/78/175491078.db2.gz	BTIBXOORCFXXEW-MDZDMXLPSA-N	-1	0	282.299	3.428	40	0		CGABRM
O=C([O-])c1ccc(COC(=O)c2ccccc2Cl)cc1	ZINC000409198209	261147462	/nfs/dbraw/zinc/14/74/62/261147462.db2.gz	ZXRBTZZCBGMDQZ-UHFFFAOYSA-N	-1	0	290.702	3.395	40	0		CGABRM
CC(=O)c1cc(Br)c([O-])c(C(F)(F)F)c1	ZINC000097439011	278242483	/nfs/dbraw/zinc/24/24/83/278242483.db2.gz	RWLYRGNXISQJKD-UHFFFAOYSA-N	-1	0	283.043	3.376	40	0		CGABRM
CC(C)CCC[C@@](C)(O)c1ccc(C(=O)[O-])cc1O	ZINC000013482267	278755827	/nfs/dbraw/zinc/75/58/27/278755827.db2.gz	VZXPWVDKXCYHSI-OAHLLOKOSA-N	-1	0	266.337	3.124	40	0	biogenic,in-vitro	CGABRM
CC(C)c1ccc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])cc1	ZINC000005384779	280609507	/nfs/dbraw/zinc/60/95/07/280609507.db2.gz	NCGSGNHLSJWIGX-CLWVCHIJSA-N	-1	0	299.370	3.271	40	0		CGABRM
C[C@H](C(=O)[O-])N1c2ccc(F)cc2[C@@H](C)CC1(C)C	ZINC000223191668	298217215	/nfs/dbraw/zinc/21/72/15/298217215.db2.gz	LNIQFGDNEODLQD-VHSXEESVSA-N	-1	0	265.328	3.391	40	0		CGABRM
CCCN(c1ccc(C)c(Cl)c1)[C@H](C)C(=O)[O-]	ZINC000260677378	328007128	/nfs/dbraw/zinc/00/71/28/328007128.db2.gz	BJZOCZUBDZOXKX-SNVBAGLBSA-N	-1	0	255.745	3.338	40	0		CGABRM
O=C([O-])CCCCCCCCC(=O)c1cc(O)ccc1O	ZINC000001755224	326795315	/nfs/dbraw/zinc/79/53/15/326795315.db2.gz	AOIAATYYUHYUKK-UHFFFAOYSA-N	-1	0	294.347	3.486	40	0		CGABRM
COc1cc(N(C)C)cc2sc(C(=O)[O-])c(Cl)c21	ZINC000228941172	522619151	/nfs/dbraw/zinc/61/91/51/522619151.db2.gz	BCDQRRKKKCYZGF-UHFFFAOYSA-N	-1	0	285.752	3.328	40	0		CGABRM
CC1CCN(C(=S)c2ccc([O-])c(Cl)c2)CC1	ZINC000006348767	344864671	/nfs/dbraw/zinc/86/46/71/344864671.db2.gz	NIXJIOWKKJGBJF-UHFFFAOYSA-N	-1	0	269.797	3.453	40	0		CGABRM
Cc1nnc(S/C(=C\c2ccccc2Cl)C(=O)[O-])o1	ZINC000007603557	344868750	/nfs/dbraw/zinc/86/87/50/344868750.db2.gz	WLLNWOOAHQTIGY-POHAHGRESA-N	-1	0	296.735	3.249	40	0		CGABRM
CCn1c(=O)c([C@H](C)Nc2ccco2)c([O-])c2ccccc21	ZINC000104671344	345924320	/nfs/dbraw/zinc/92/43/20/345924320.db2.gz	QVXYERVLXHQBJN-NSHDSACASA-N	-1	0	298.342	3.493	40	0		CGABRM
C[C@H](O)CCCCCCCCCCC[C@@H](O)CC(=O)[O-]	ZINC000225461097	346304148	/nfs/dbraw/zinc/30/41/48/346304148.db2.gz	IGEZKJDTCCZVOD-LSDHHAIUSA-N	-1	0	288.428	3.494	40	0	biogenic,in-vitro	CGABRM
CC[C@@H](OC)c1ccc(OCC(=O)[O-])c2ccccc21	ZINC000085390859	179047979	/nfs/dbraw/zinc/04/79/79/179047979.db2.gz	UTZCNCVRFLFMGV-CQSZACIVSA-N	-1	0	274.316	3.401	40	0		CGABRM
O=C([O-])C1(COc2cccc(Br)c2)CCC1	ZINC000085390466	179048147	/nfs/dbraw/zinc/04/81/47/179048147.db2.gz	YLEAANCCQIDVIQ-UHFFFAOYSA-N	-1	0	285.137	3.083	40	0		CGABRM
C[C@H]1CCc2cccc(C(=O)[O-])c2N1C(=O)OC(C)(C)C	ZINC000256055163	346399628	/nfs/dbraw/zinc/39/96/28/346399628.db2.gz	ZMXXRLJNQMAOAS-JTQLQIEISA-N	-1	0	291.347	3.461	40	0		CGABRM
CC1=CC(C)(C)N([C@@H](C)C(=O)[O-])c2cc(F)ccc21	ZINC000223825394	136584501	/nfs/dbraw/zinc/58/45/01/136584501.db2.gz	FAKIZQNUYJKZSA-JTQLQIEISA-N	-1	0	263.312	3.301	40	0		CGABRM
CCCCO[C@H](Cc1ccc(C)c(C)c1)C(=O)[O-]	ZINC000225035605	189743625	/nfs/dbraw/zinc/74/36/25/189743625.db2.gz	CCJMBKDRTBGYIL-CQSZACIVSA-N	-1	0	250.338	3.116	40	0		CGABRM
CCCCO[C@H](Cc1c(C)cc(C)cc1C)C(=O)[O-]	ZINC000225137885	189744734	/nfs/dbraw/zinc/74/47/34/189744734.db2.gz	GGCUQOFEJOAYRT-OAHLLOKOSA-N	-1	0	264.365	3.424	40	0		CGABRM
CC[C@@]1(CC(=O)[O-])OCCc2c3ccc(F)c(C)c3[nH]c21	ZINC000001564408	368419280	/nfs/dbraw/zinc/41/92/80/368419280.db2.gz	JDRCXYRZBCBCPS-INIZCTEOSA-N	-1	0	291.322	3.268	40	0		CGABRM
O=C1Oc2ccccc2CC1=C([O-])c1ccc(Cl)cc1	ZINC000001612560	368423175	/nfs/dbraw/zinc/42/31/75/368423175.db2.gz	QNJZZUAVGUSZMP-ZDUSSCGKSA-N	-1	0	286.714	3.301	40	0		CGABRM
O=C([O-])c1ccccc1C(=O)c1ccc2c(c1)CCCC2	ZINC000003080796	368491302	/nfs/dbraw/zinc/49/13/02/368491302.db2.gz	HVCVQWLJNZXBHT-UHFFFAOYSA-N	-1	0	280.323	3.495	40	0		CGABRM
C[C@H]1CCC[C@@H](C(O)(C(=O)[O-])[C@H]2CCC[C@H](C)C2)C1	ZINC000005047879	368561267	/nfs/dbraw/zinc/56/12/67/368561267.db2.gz	SNFQLKDJWIBNQF-JYMWAKCPSA-N	-1	0	268.397	3.455	40	0		CGABRM
O=C([O-])[C@@H](CCOc1ccccc1)c1ccccc1	ZINC000012357219	368609980	/nfs/dbraw/zinc/60/99/80/368609980.db2.gz	FYVMNLAPQHTGCG-HNNXBMFYSA-N	-1	0	256.301	3.324	40	0		CGABRM
O=C([O-])c1ccc(CNC(=O)c2cc3ccccc3o2)cc1	ZINC000013092109	368641905	/nfs/dbraw/zinc/64/19/05/368641905.db2.gz	MLUOQFJVWMHFDV-UHFFFAOYSA-N	-1	0	295.294	3.061	40	0		CGABRM
O=C([O-])c1ccc(NC(=O)/C=C/c2ccc(F)cc2)cc1	ZINC000013166545	368646178	/nfs/dbraw/zinc/64/61/78/368646178.db2.gz	KPAKSIJVHDCBDL-XCVCLJGOSA-N	-1	0	285.274	3.176	40	0		CGABRM
O=C([O-])/C(=C\N(O)c1ccccc1)c1ccccc1	ZINC000013405767	368653303	/nfs/dbraw/zinc/65/33/03/368653303.db2.gz	VGVFZAALQOGWSF-KAMYIIQDSA-N	-1	0	255.273	3.008	40	0		CGABRM
Cc1ccc(NC(=O)/C(Cl)=C(/Cl)C(=O)[O-])cc1C	ZINC000017176648	368730043	/nfs/dbraw/zinc/73/00/43/368730043.db2.gz	JKAXLPNQHKHUAO-KTKRTIGZSA-N	-1	0	288.130	3.016	40	0		CGABRM
O=C([O-])[C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C(=O)Nc1cccc(Cl)c1	ZINC000013320644	304159329	/nfs/dbraw/zinc/15/93/29/304159329.db2.gz	GFWRORRWALMWRD-GAQJKIJGSA-N	-1	0	293.750	3.025	40	0		CGABRM
CC[Si](CC)(CC)c1cccc(C(=O)[O-])c1F	ZINC000196336066	376119187	/nfs/dbraw/zinc/11/91/87/376119187.db2.gz	CTNTXIAWBCHRKJ-UHFFFAOYSA-N	-1	0	254.377	3.239	40	0		CGABRM
CC[C@H](C(=O)[O-])N(CC)c1ccc(Br)cc1	ZINC000224990114	376289950	/nfs/dbraw/zinc/28/99/50/376289950.db2.gz	OJAPQGINQUCANF-LLVKDONJSA-N	-1	0	286.169	3.139	40	0		CGABRM
CCCN(c1ccc(Cl)cc1C)[C@@H](C)C(=O)[O-]	ZINC000224992093	376290430	/nfs/dbraw/zinc/29/04/30/376290430.db2.gz	GCYCDLBGQLRTQM-JTQLQIEISA-N	-1	0	255.745	3.338	40	0		CGABRM
CCN(c1ccc(Cl)c(Cl)c1)[C@@H](C)C(=O)[O-]	ZINC000224994956	376292116	/nfs/dbraw/zinc/29/21/16/376292116.db2.gz	YNTIDICTCBBCNN-ZETCQYMHSA-N	-1	0	262.136	3.293	40	0		CGABRM
COc1ccccc1O[C@@H](Cc1ccc(C)cc1)C(=O)[O-]	ZINC000225020544	376293494	/nfs/dbraw/zinc/29/34/94/376293494.db2.gz	MMALMHPYKLPYQG-INIZCTEOSA-N	-1	0	286.327	3.078	40	0		CGABRM
CC(C)O[C@H](Cc1ccc(Cl)c(Cl)c1)C(=O)[O-]	ZINC000225089725	376294837	/nfs/dbraw/zinc/29/48/37/376294837.db2.gz	MGIMTEPMCWWHHF-LLVKDONJSA-N	-1	0	277.147	3.414	40	0		CGABRM
COc1ccc(C[C@@H](Oc2cccc(C)c2)C(=O)[O-])cc1	ZINC000225101367	376295533	/nfs/dbraw/zinc/29/55/33/376295533.db2.gz	WUKPOSSHOGTLTI-MRXNPFEDSA-N	-1	0	286.327	3.078	40	0		CGABRM
Cn1cc(Cc2ccc(C(=O)[O-])cc2)sc1=S	ZINC000225392608	376305929	/nfs/dbraw/zinc/30/59/29/376305929.db2.gz	XBBZXHQYBCMHML-UHFFFAOYSA-N	-1	0	265.359	3.105	40	0		CGABRM
Cc1cnc(Cl)c(NC(=O)OC(C)(C)C)c1C(=O)[O-]	ZINC000265540697	190189193	/nfs/dbraw/zinc/18/91/93/190189193.db2.gz	OUVYVLXLQZXXRQ-UHFFFAOYSA-N	-1	0	286.715	3.089	40	0		CGABRM
O=C([O-])c1cc(-c2ccc(F)cc2)n(-c2ccccc2)n1	ZINC000011801780	304219173	/nfs/dbraw/zinc/21/91/73/304219173.db2.gz	XTVDNRUDOYCQKP-UHFFFAOYSA-N	-1	0	282.274	3.377	40	0		CGABRM
O=C([O-])c1ccc2c(c1)CCCN2C(=O)c1ccc(F)cc1	ZINC000040350776	304252264	/nfs/dbraw/zinc/25/22/64/304252264.db2.gz	KOFPAOIGVMBTAU-UHFFFAOYSA-N	-1	0	299.301	3.117	40	0		CGABRM
CCc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2O)cc1	ZINC000005260027	170080694	/nfs/dbraw/zinc/08/06/94/170080694.db2.gz	PZFYDIGLYCKQOZ-UHFFFAOYSA-N	-1	0	291.372	3.064	40	0		CGABRM
COc1c(Cl)cc(C(=O)[O-])cc1NC(=O)CCC(C)C	ZINC000020136740	171024666	/nfs/dbraw/zinc/02/46/66/171024666.db2.gz	ADRHVSQTNPZOFL-UHFFFAOYSA-N	-1	0	299.754	3.422	40	0		CGABRM
COc1cccc(-c2ccc(CCC(=O)[O-])cc2)c1	ZINC000026544523	171491620	/nfs/dbraw/zinc/49/16/20/171491620.db2.gz	ONIIWWRIHYKASX-UHFFFAOYSA-N	-1	0	256.301	3.379	40	0		CGABRM
COc1ccc(-c2nc(C)sc2CC(=O)[O-])cc1C	ZINC000032122975	171712738	/nfs/dbraw/zinc/71/27/38/171712738.db2.gz	KHFTYFVGYLUGQS-UHFFFAOYSA-N	-1	0	277.345	3.063	40	0		CGABRM
O=C([O-])c1cc2ccc(OCc3ccccc3)cc2oc1=O	ZINC000038602578	174148991	/nfs/dbraw/zinc/14/89/91/174148991.db2.gz	LDBVFHSYVJZKOL-UHFFFAOYSA-N	-1	0	296.278	3.070	40	0		CGABRM
CC(C)n1cc(C(=O)[O-])c(=O)c2ccc(C(F)(F)F)cc21	ZINC000040164068	174196712	/nfs/dbraw/zinc/19/67/12/174196712.db2.gz	VZWZDXSLLSRLMS-UHFFFAOYSA-N	-1	0	299.248	3.299	40	0		CGABRM
O=c1c2c[n-]c3cc(F)ccc3c-2nn1-c1ccccc1	ZINC000064874560	280392773	/nfs/dbraw/zinc/39/27/73/280392773.db2.gz	PPYAAJPFYKYQLA-UHFFFAOYSA-N	-1	0	279.274	3.006	40	0		CGABRM
Cc1cc(F)c2nc(C(=O)[O-])ccc2c1Br	ZINC000085399947	301297975	/nfs/dbraw/zinc/29/79/75/301297975.db2.gz	ZKPJCNAQVLOYDZ-UHFFFAOYSA-N	-1	0	284.084	3.143	40	0		CGABRM
CCc1ccccc1C(=O)NC1(CC(=O)[O-])CCCCC1	ZINC000161741408	321873054	/nfs/dbraw/zinc/87/30/54/321873054.db2.gz	XZBNAGWAOLICFP-UHFFFAOYSA-N	-1	0	289.375	3.156	40	0		CGABRM