smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)(C)OC(=O)N1C[C@H]2COC[C@@]2(CC(=O)[O-])C1	ZINC000383580015	345664257	/nfs/dbraw/zinc/66/42/57/345664257.db2.gz	JZENJAKHYQKWJV-TVQRCGJNSA-N	-1	0	271.313	1.345	40	0		CDABRM
O=C([O-])C[C@@H]1CSc2nc(C3CC3)cc(=O)n21	ZINC000085397259	179049913	/nfs/dbraw/zinc/04/99/13/179049913.db2.gz	GUGXWMFBQFGXID-SSDOTTSWSA-N	-1	0	252.295	1.242	40	0		CDABRM
CCOc1cccc([C@H]2OC(=O)C[C@H]2C(=O)[O-])c1	ZINC000085394581	179049238	/nfs/dbraw/zinc/04/92/38/179049238.db2.gz	MZQXXDVZFYRDML-ZYHUDNBSSA-N	-1	0	250.250	1.774	40	0		CDABRM
O=C([O-])[C@]1(C(F)(F)F)CCN(C(=O)[C@@H]2CCCCO2)C1	ZINC000111239981	186374527	/nfs/dbraw/zinc/37/45/27/186374527.db2.gz	YWZBHRDLESGXKA-KWQFWETISA-N	-1	0	295.257	1.421	40	0		CDABRM
CCCn1ccc2ccc(NC(=O)C(=O)[N-]OC)cc21	ZINC000134768345	187771860	/nfs/dbraw/zinc/77/18/60/187771860.db2.gz	HUGORTGVYNCFMN-UHFFFAOYSA-N	-1	0	275.308	1.667	40	0		CDABRM
COc1cc(OC)nc(N2CCC[C@H](CC(=O)[O-])C2)n1	ZINC000159744103	363270378	/nfs/dbraw/zinc/27/03/78/363270378.db2.gz	FFLXKRJMCFGQKT-SECBINFHSA-N	-1	0	281.312	1.185	40	0		CDABRM
O=C([O-])[C@@H]1[C@H]2C=C[C@]3(CN(Cc4ccccc4)C(=O)[C@@H]13)O2	ZINC000012404566	366131829	/nfs/dbraw/zinc/13/18/29/366131829.db2.gz	JNHBKFAZBKSPLV-BRXULGCHSA-N	-1	0	285.299	1.053	40	0		CDABRM
CC(C)(C)OC(=O)N[C@@H](C(=O)[O-])[C@@H](O)C1CCCCC1	ZINC000002539917	355974494	/nfs/dbraw/zinc/97/44/94/355974494.db2.gz	KOKGNBSMQYDZSC-MNOVXSKESA-N	-1	0	287.356	1.906	40	0		CDABRM
CC[C@H](C)Cn1cnc2c1nc(N)nc2SCC(=O)[O-]	ZINC000001684039	355947195	/nfs/dbraw/zinc/94/71/95/355947195.db2.gz	YBYHUQLRHZLSOL-ZETCQYMHSA-N	-1	0	295.368	1.631	40	0		CDABRM
CC(=O)Nc1ccc(S(=O)(=O)[N-]C(=O)NC(C)C)cc1	ZINC000001726556	355949584	/nfs/dbraw/zinc/94/95/84/355949584.db2.gz	APYSMUJJWDAYJL-UHFFFAOYSA-N	-1	0	299.352	1.041	40	0		CDABRM
CC(C)[C@H](NC(=O)Cc1ccc(F)cc1F)C(=O)[O-]	ZINC000059984130	356385967	/nfs/dbraw/zinc/38/59/67/356385967.db2.gz	HQOFMSFAYXPSNP-LBPRGKRZSA-N	-1	0	271.263	1.733	40	0		CDABRM
Cc1cc2nc([C@H](C)NC(=O)c3cccnc3)cc(=O)n2[n-]1	ZINC000019129791	356475761	/nfs/dbraw/zinc/47/57/61/356475761.db2.gz	JMGPWEDLXGKJCH-JTQLQIEISA-N	-1	0	297.318	1.629	40	0		CDABRM
CC[NH+]1CCN(CCCOc2cccc(C(=O)[O-])c2)CC1	ZINC000019798146	358142895	/nfs/dbraw/zinc/14/28/95/358142895.db2.gz	OEKHZYJIKFOGIX-UHFFFAOYSA-N	-1	0	292.379	1.791	40	0		CDABRM
O=C([O-])c1ccccc1NC(=O)C[C@H]1CCS(=O)(=O)C1	ZINC000036870642	358616767	/nfs/dbraw/zinc/61/67/67/358616767.db2.gz	VQZUPCMLWNFQID-SECBINFHSA-N	-1	0	297.332	1.148	40	0		CDABRM
Cn1c([O-])c(C(=S)Nc2ccccc2)c(=O)n(C)c1=O	ZINC000100855910	358836074	/nfs/dbraw/zinc/83/60/74/358836074.db2.gz	LPAHZVLHOZDXTG-UHFFFAOYSA-N	-1	0	291.332	1.093	40	0		CDABRM
COc1ccc(OC)c(/C=C/C(=O)N[C@H](C)C(=O)[O-])c1	ZINC000033441031	359332597	/nfs/dbraw/zinc/33/25/97/359332597.db2.gz	ZVGCRMNQHOLRCM-ILFKPUCNSA-N	-1	0	279.292	1.306	40	0		CDABRM
CCOc1ccccc1NC1C(=O)N=C(N)N=C1[O-]	ZINC000017316403	364027385	/nfs/dbraw/zinc/02/73/85/364027385.db2.gz	XFBQRXCQSUJTGW-UHFFFAOYSA-N	-1	0	262.269	1.200	40	0		CDABRM
COC(=O)C12CC(C(=O)[O-])(C1)CN2C(=O)OC(C)(C)C	ZINC000575422463	364839028	/nfs/dbraw/zinc/83/90/28/364839028.db2.gz	GSFAZRYNAIKACS-UHFFFAOYSA-N	-1	0	285.296	1.014	40	0		CDABRM
CO[C@H](C)C(=O)N(C)Cc1ccc(C(=O)[O-])cc1	ZINC000168611445	364995391	/nfs/dbraw/zinc/99/53/91/364995391.db2.gz	WRJIGBXNYDIKSD-SECBINFHSA-N	-1	0	251.282	1.378	40	0		CDABRM
Cc1ccc(C)c(NC(=O)[C@H]2[C@@H](C(=O)[O-])[C@H]3C=C[C@@H]2O3)c1	ZINC000169304299	365037668	/nfs/dbraw/zinc/03/76/68/365037668.db2.gz	VQWFIKFFDQRBPN-DGAVXFQQSA-N	-1	0	287.315	1.896	40	0		CDABRM
CO[C@H]1C(=O)N(c2ccccc2Cl)[C@H]1C(=O)[O-]	ZINC000218277333	365258958	/nfs/dbraw/zinc/25/89/58/365258958.db2.gz	QNPDVSURVNJOPI-RKDXNWHRSA-N	-1	0	255.657	1.155	40	0		CDABRM
COc1cccc([C@@H](C(=O)[O-])N2CCOCC2)c1	ZINC000016718831	366894983	/nfs/dbraw/zinc/89/49/83/366894983.db2.gz	CBOROWIBSMZHAW-LBPRGKRZSA-N	-1	0	251.282	1.153	40	0		CDABRM
CC(=O)c1c([O-])cc(C)n(-c2ccccc2N)c1=O	ZINC000016768669	366914098	/nfs/dbraw/zinc/91/40/98/366914098.db2.gz	PEPGNOGOZPUFBL-UHFFFAOYSA-N	-1	0	258.277	1.636	40	0		CDABRM
CCOc1ccc([C@@H](C(=O)[O-])N2CCOCC2)cc1	ZINC000016852005	366934721	/nfs/dbraw/zinc/93/47/21/366934721.db2.gz	USXAMLQIHVKPAX-ZDUSSCGKSA-N	-1	0	265.309	1.543	40	0		CDABRM
O=C([O-])CCc1cccc(S(=O)(=O)N2CCCCC2)c1	ZINC000032176724	367282072	/nfs/dbraw/zinc/28/20/72/367282072.db2.gz	JJKPDZNORCDSIO-UHFFFAOYSA-N	-1	0	297.376	1.878	40	0		CDABRM
CN(C(=O)OC(C)(C)C)c1cnc(C(=O)[O-])nc1	ZINC000224973294	369923868	/nfs/dbraw/zinc/92/38/68/369923868.db2.gz	NMJJTWMTCSQXKQ-UHFFFAOYSA-N	-1	0	253.258	1.546	40	0		CDABRM
O=C([O-])[C@@H]1[C@H]2C=C[C@]3(CN(C4CCCCC4)C(=O)[C@H]13)O2	ZINC000036375094	304160287	/nfs/dbraw/zinc/16/02/87/304160287.db2.gz	SDOCVRCDRWCALS-MCYUEQNJSA-N	-1	0	277.320	1.186	40	0		CDABRM
O=C(N=c1ccc(C2CC2)n[n-]1)N[C@H]1CCc2c[nH]nc2C1	ZINC000333254076	205155985	/nfs/dbraw/zinc/15/59/85/205155985.db2.gz	ZABHXVRXCGBORJ-NSHDSACASA-N	-1	0	298.350	1.178	40	0		CDABRM
O=C([O-])c1cnn2c1OC[C@@H](OCc1ccccc1)C2	ZINC000256052796	374396864	/nfs/dbraw/zinc/39/68/64/374396864.db2.gz	OSDGQVPCPIEJJB-NSHDSACASA-N	-1	0	274.276	1.559	40	0		CDABRM
CCn1ccc(C(=O)N2CCCC[C@@]2(C)C(=O)[O-])n1	ZINC000257228080	190016464	/nfs/dbraw/zinc/01/64/64/190016464.db2.gz	FSFOHFDUGGKETC-ZDUSSCGKSA-N	-1	0	265.313	1.372	40	0		CDABRM
O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)NC1CCCCC1	ZINC000006185576	304211240	/nfs/dbraw/zinc/21/12/40/304211240.db2.gz	GZFZHAGZCXCMND-DNIRFERGSA-N	-1	0	263.337	1.958	40	0		CDABRM
O=C1[N-]C(=O)/C(=C/c2c(O)ccc3ccccc32)N1	ZINC000013125795	296355966	/nfs/dbraw/zinc/35/59/66/296355966.db2.gz	BCCDBDKOOIMJAC-XFFZJAGNSA-N	-1	0	254.245	1.726	40	0		CDABRM
O=C([O-])CCSc1nnc(Cc2ccccn2)o1	ZINC000001378642	169696614	/nfs/dbraw/zinc/69/66/14/169696614.db2.gz	DBCBCVUVLXMHAX-UHFFFAOYSA-N	-1	0	265.294	1.622	40	0		CDABRM
O=C([O-])c1cnc(N2CCCC2)nc1-c1ccccn1	ZINC000096517137	390531927	/nfs/dbraw/zinc/53/19/27/390531927.db2.gz	PRQAICDGLAFEDM-UHFFFAOYSA-N	-1	0	270.292	1.837	40	0		CDABRM
O=C([O-])c1cccc2sc(N3CCOCC3)nc21	ZINC000096516196	390534272	/nfs/dbraw/zinc/53/42/72/390534272.db2.gz	FRGIXKSBRCMLSH-UHFFFAOYSA-N	-1	0	264.306	1.831	40	0		CDABRM
O=C([O-])CCCn1ccc(C(=O)N2CCCCC2)n1	ZINC000096528687	390538705	/nfs/dbraw/zinc/53/87/05/390538705.db2.gz	HVILQDUIJMNVDG-UHFFFAOYSA-N	-1	0	265.313	1.374	40	0		CDABRM
CCCCCCn1cc(N2C[C@@H](C(=O)[O-])CC2=O)cn1	ZINC000096528921	390539773	/nfs/dbraw/zinc/53/97/73/390539773.db2.gz	BHLYRGLEXCVWNO-NSHDSACASA-N	-1	0	279.340	1.901	40	0		CDABRM
CCOC(=O)c1nnc(COc2ccc(F)cc2F)[n-]1	ZINC000085385950	390638804	/nfs/dbraw/zinc/63/88/04/390638804.db2.gz	BOBISQSVXTWRGH-UHFFFAOYSA-N	-1	0	283.234	1.839	40	0		CDABRM
CC1=C[C@]23[C@@H](C=C(C(=O)[O-])[C@H]2COC(=O)[C@]32CO2)[C@H]1C	ZINC000004982962	391805481	/nfs/dbraw/zinc/80/54/81/391805481.db2.gz	NUPNVWUYFVEAIT-GMBDUWKCSA-N	-1	0	276.288	1.152	40	0	in-vitro	CDABRM
O=C([O-])C1CCN(S(=O)(=O)Oc2ccccc2)CC1	ZINC000005684338	170128304	/nfs/dbraw/zinc/12/83/04/170128304.db2.gz	YFZLXVHVRWKCEQ-UHFFFAOYSA-N	-1	0	285.321	1.107	40	0		CDABRM
O=C([O-])[C@@H]1Cc2[nH]cnc2[C@H](c2ccccc2Cl)N1	ZINC000005728970	170133960	/nfs/dbraw/zinc/13/39/60/170133960.db2.gz	VPFAMVMZJHWLJH-QWRGUYRKSA-N	-1	0	277.711	1.751	40	0		CDABRM
COc1ccccc1[C@H]1N[C@@H](C(=O)[O-])Cc2[nH]cnc21	ZINC000005817972	170143260	/nfs/dbraw/zinc/14/32/60/170143260.db2.gz	BLUBUPXNKWMIDX-ZYHUDNBSSA-N	-1	0	273.292	1.107	40	0		CDABRM
[NH3+][C@H](C(=O)[O-])[C@H](CC(=O)[O-])c1ccc(Cl)cc1	ZINC000006093179	170175825	/nfs/dbraw/zinc/17/58/25/170175825.db2.gz	ZHXBCPSYEAQEHB-SCZZXKLOSA-N	-1	0	257.673	1.310	40	0		CDABRM
O=C([O-])[C@H]1[C@H]2C=C[C@H](CC2)[C@H]1C(=O)NCc1ccccn1	ZINC000006715726	170231923	/nfs/dbraw/zinc/23/19/23/170231923.db2.gz	PHPVKNRANYSRPG-WVWOOGAGSA-N	-1	0	286.331	1.611	40	0		CDABRM
C[C@@]1(C(=O)[O-])CCCN1Cc1ncn(-c2ccccc2)n1	ZINC000652480528	424480444	/nfs/dbraw/zinc/48/04/44/424480444.db2.gz	IGGIZOGBVCMZEN-HNNXBMFYSA-N	-1	0	286.335	1.706	40	0		CDABRM
CC(C)OC(=O)C1=C([O-])c2ccccc2S(=O)(=O)N1C	ZINC000005732730	279628378	/nfs/dbraw/zinc/62/83/78/279628378.db2.gz	ZHWSBDIYCSOTBY-UHFFFAOYSA-N	-1	0	297.332	1.499	40	0	in-vitro	CDABRM
C[NH+](C)CC[C@@](CCC(=O)[O-])(C(=O)[O-])c1ccccc1	ZINC000001870413	289180697	/nfs/dbraw/zinc/18/06/97/289180697.db2.gz	DASNJSFCABWFSL-OAHLLOKOSA-N	-1	0	279.336	1.826	40	0		CDABRM
Cc1cc(C(=O)N2CCCC[C@H]2C(=O)[O-])c(C)o1	ZINC000004917468	301091834	/nfs/dbraw/zinc/09/18/34/301091834.db2.gz	JNFGVSXFMSQALS-NSHDSACASA-N	-1	0	251.282	1.976	40	0		CDABRM
COc1cc(O)c2c(c1)C(C(=O)[O-])=C(C)C[C@@H](O)C2=O	ZINC001772591703	1159189021	/nfs/dbraw/zinc/18/90/21/1159189021.db2.gz	LSABOANGIGLHAG-SNVBAGLBSA-N	-1	0	278.260	1.206	40	0		CDABRM
O=C([O-])[C@]1(NC(=O)[C@H]2CCCCO2)CCc2ccccc21	ZINC000677849654	482806635	/nfs/dbraw/zinc/80/66/35/482806635.db2.gz	JXUNPSWMUCIURQ-CJNGLKHVSA-N	-1	0	289.331	1.598	40	0		CDABRM
O=C([O-])Cc1csc(NC(=O)CC2CCOCC2)n1	ZINC000238112159	538218448	/nfs/dbraw/zinc/21/84/48/538218448.db2.gz	WENNNIUDHRYMKD-UHFFFAOYSA-N	-1	0	284.337	1.525	40	0		CDABRM
COC[C@H]1C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	ZINC000140039977	679685435	/nfs/dbraw/zinc/68/54/35/679685435.db2.gz	OHPUCEUCBHBIAW-DTWKUNHWSA-N	-1	0	259.302	1.343	40	0		CDABRM
COc1cc(C2(C(=O)[O-])CC2)cc(OC)c1OC	ZINC000033487191	1160738326	/nfs/dbraw/zinc/73/83/26/1160738326.db2.gz	UMQOVVJBFPYCPB-UHFFFAOYSA-N	-1	0	252.266	1.829	40	0		CDABRM
Cc1nn(C)c(C)c1CNC(=O)[C@H]1CCCC[C@H]1C(=O)[O-]	ZINC000032610727	1165726173	/nfs/dbraw/zinc/72/61/73/1165726173.db2.gz	ZGMPFRUTWZKQIV-NWDGAFQWSA-N	-1	0	293.367	1.544	40	0		CDABRM
CC(=O)C1=C[C@@H](c2ccccc2)C(=O)[C@@H]1CC(=O)[O-]	ZINC000028628920	1165709385	/nfs/dbraw/zinc/70/93/85/1165709385.db2.gz	GHSGDWNOMJQCAX-QWHCGFSZSA-N	-1	0	258.273	1.959	40	0		CDABRM
Cc1noc(C)c1C[C@@H](C)C(=O)N1CCCC[C@@H]1C(=O)[O-]	ZINC000136535377	539097042	/nfs/dbraw/zinc/09/70/42/539097042.db2.gz	HCXPBHXJTJJOIT-NOZJJQNGSA-N	-1	0	294.351	1.936	40	0		CDABRM
COc1ccc(OCC2(C(=O)[O-])CCOCC2)cc1	ZINC000085390578	179047764	/nfs/dbraw/zinc/04/77/64/179047764.db2.gz	VDNBITHEMIAUDY-UHFFFAOYSA-N	-1	0	266.293	1.955	40	0		CDABRM
CCOC(=O)C=C([O-])c1cccc(S(=O)(=O)N(C)C)c1	ZINC000085396764	179050080	/nfs/dbraw/zinc/05/00/80/179050080.db2.gz	ABOKGDFBPDPUGW-UHFFFAOYSA-N	-1	0	299.348	1.073	40	0		CDABRM
CN1CCN(C(=S)c2ccc([O-])c(Cl)c2)CC1	ZINC000008091784	348733389	/nfs/dbraw/zinc/73/33/89/348733389.db2.gz	ZNIIBYHUJHAFNW-UHFFFAOYSA-N	-1	0	270.785	1.969	40	0		CDABRM
CCS(=O)(=O)[C@H]1[C@@H](C(=O)[O-])[C@@H]1c1ccc(C)cc1	ZINC000218351635	366004580	/nfs/dbraw/zinc/00/45/80/366004580.db2.gz	YTNBYGLMXBSEAY-SDDRHHMPSA-N	-1	0	268.334	1.596	40	0		CDABRM
CCOC(=O)C=C([O-])c1ccc(C(=O)OC)cc1	ZINC000002558963	355974881	/nfs/dbraw/zinc/97/48/81/355974881.db2.gz	GFDCYWYWNSTMDX-UHFFFAOYSA-N	-1	0	250.250	1.609	40	0		CDABRM
CC(C)C[C@@H](NC(=O)COc1ccccc1)C(=O)[O-]	ZINC000002454764	355970121	/nfs/dbraw/zinc/97/01/21/355970121.db2.gz	ZNYXSEBGUZEHKU-GFCCVEGCSA-N	-1	0	265.309	1.681	40	0		CDABRM
NS(=O)(=O)c1ccc(-c2ccc(/C=C/C(=O)[O-])o2)cc1	ZINC000004205348	356021888	/nfs/dbraw/zinc/02/18/88/356021888.db2.gz	NJCUFFUYNUDDFT-XBXARRHUSA-N	-1	0	293.300	1.692	40	0		CDABRM
O=C([O-])Cc1ccc(NC(=S)NC[C@H]2CCCO2)cc1	ZINC000013813517	356359251	/nfs/dbraw/zinc/35/92/51/356359251.db2.gz	YGENHNMCDRZFMC-GFCCVEGCSA-N	-1	0	294.376	1.779	40	0		CDABRM
CO[N-]C(=O)C(=O)Nc1ccc(Br)cc1C	ZINC000134752738	356391501	/nfs/dbraw/zinc/39/15/01/356391501.db2.gz	CGETYXHZBFCTEE-UHFFFAOYSA-N	-1	0	287.113	1.374	40	0		CDABRM
COc1cc(/C=C2\NC(=O)[N-]C2=O)cc(Cl)c1OC	ZINC000016195136	356434303	/nfs/dbraw/zinc/43/43/03/356434303.db2.gz	PJBOFNGACMFHRO-YWEYNIOJSA-N	-1	0	282.683	1.538	40	0		CDABRM
CCNC(=O)Nc1cc(S(=O)(=O)CC)ccc1[O-]	ZINC000019014994	356474526	/nfs/dbraw/zinc/47/45/26/356474526.db2.gz	QODVYQZWDRJMDR-UHFFFAOYSA-N	-1	0	272.326	1.327	40	0		CDABRM
Cc1ccc(C)c(OCc2ncc(C(=O)[O-])c(=O)[nH]2)c1	ZINC000058038170	357374539	/nfs/dbraw/zinc/37/45/39/357374539.db2.gz	PAAXMEZKVCCGSZ-UHFFFAOYSA-N	-1	0	274.276	1.664	40	0		CDABRM
Cc1ccc(OCc2ncc(C(=O)[O-])c(=O)[nH]2)cc1C	ZINC000058038190	357374860	/nfs/dbraw/zinc/37/48/60/357374860.db2.gz	NPYIUSAEWVAPJA-UHFFFAOYSA-N	-1	0	274.276	1.664	40	0		CDABRM
CN1CC[NH+]([C@@H](Cc2cccc(Cl)c2)C(=O)[O-])CC1	ZINC000057590984	357361441	/nfs/dbraw/zinc/36/14/41/357361441.db2.gz	XMHREQBOBGVABC-ZDUSSCGKSA-N	-1	0	282.771	1.583	40	0		CDABRM
Cc1cc(C)nc(N2CC(c3cc(=O)n(C)[n-]3)C2)n1	ZINC000100685264	358833271	/nfs/dbraw/zinc/83/32/71/358833271.db2.gz	MLOVISSQFGTMBC-UHFFFAOYSA-N	-1	0	259.313	1.136	40	0		CDABRM
CCc1nc2n(n1)[C@H](c1cccc(O)c1)CC(C(=O)[O-])=N2	ZINC000102334167	358874940	/nfs/dbraw/zinc/87/49/40/358874940.db2.gz	MNJASMQMKRMCIQ-NSHDSACASA-N	-1	0	286.291	1.530	40	0		CDABRM
Cc1cccc(OCc2ncc(CC(=O)[O-])c(=O)[nH]2)c1C	ZINC000217386137	358997981	/nfs/dbraw/zinc/99/79/81/358997981.db2.gz	DHCALORCTKAHMY-UHFFFAOYSA-N	-1	0	288.303	1.593	40	0		CDABRM
CC(C)Nc1ccc(C(=O)[O-])cc1S(=O)(=O)NC1CC1	ZINC000217439505	359002000	/nfs/dbraw/zinc/00/20/00/359002000.db2.gz	PDVJCCNXXZBUMI-UHFFFAOYSA-N	-1	0	298.364	1.646	40	0		CDABRM
Cc1nc(C(=O)N(CC(=O)[O-])Cc2ccccc2)co1	ZINC000225316161	359576112	/nfs/dbraw/zinc/57/61/12/359576112.db2.gz	JOPJBYMUBQSOBI-UHFFFAOYSA-N	-1	0	274.276	1.710	40	0		CDABRM
CCS(=O)(=O)[C@H]1[C@@H](C(=O)[O-])[C@@H]1c1cccc(Cl)c1	ZINC000218374530	366727742	/nfs/dbraw/zinc/72/77/42/366727742.db2.gz	STHHUKPIHANDDI-GARJFASQSA-N	-1	0	288.752	1.941	40	0		CDABRM
CN(C)S(=O)(=O)c1ccc(OCC(=O)[O-])c(Cl)c1	ZINC000034776365	361370811	/nfs/dbraw/zinc/37/08/11/361370811.db2.gz	VAYYUGHATWJUBY-UHFFFAOYSA-N	-1	0	293.728	1.054	40	0		CDABRM
COc1ccc(CCn2cccc(C(=O)[O-])c2=O)cc1	ZINC000049866734	370523652	/nfs/dbraw/zinc/52/36/52/370523652.db2.gz	OTSDKSANUFQFLZ-UHFFFAOYSA-N	-1	0	273.288	1.798	40	0		CDABRM
COc1ccccc1CCn1cccc(C(=O)[O-])c1=O	ZINC000049866732	370523782	/nfs/dbraw/zinc/52/37/82/370523782.db2.gz	GDGZEYHIWFBKOK-UHFFFAOYSA-N	-1	0	273.288	1.798	40	0		CDABRM
O=C([O-])c1ccc(CNC(=O)CC2CCOCC2)cc1	ZINC000238084746	189899030	/nfs/dbraw/zinc/89/90/30/189899030.db2.gz	NQNDXLDVPZAVDW-UHFFFAOYSA-N	-1	0	277.320	1.818	40	0		CDABRM
CCc1cc(=O)[nH]c(N2CCC(C(=O)[O-])CC2)n1	ZINC000019689793	374776791	/nfs/dbraw/zinc/77/67/91/374776791.db2.gz	XBSVVTCVRCNUFG-UHFFFAOYSA-N	-1	0	251.286	1.046	40	0		CDABRM
O=C([O-])[C@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)NCc1ccccn1	ZINC000002486678	375167770	/nfs/dbraw/zinc/16/77/70/375167770.db2.gz	NOIMZFNDJUMGEK-URBCHYCLSA-N	-1	0	274.320	1.445	40	0		CDABRM
O=C([O-])[C@H]1Cc2[nH]cnc2[C@H](c2cccc(Cl)c2)N1	ZINC000005818925	304205861	/nfs/dbraw/zinc/20/58/61/304205861.db2.gz	BIDMUIBVIOSXBB-MNOVXSKESA-N	-1	0	277.711	1.751	40	0		CDABRM
Cc1noc(-c2cccnc2N2CC[C@@H](C(=O)[O-])C2)n1	ZINC000096516546	390533777	/nfs/dbraw/zinc/53/37/77/390533777.db2.gz	PNRSCXJAHDWPMR-SECBINFHSA-N	-1	0	274.280	1.351	40	0		CDABRM
O=C([O-])c1nn(-c2ccccn2)nc1C(F)(F)F	ZINC000089261898	304284691	/nfs/dbraw/zinc/28/46/91/304284691.db2.gz	WUJZQCWJRVUCMO-UHFFFAOYSA-N	-1	0	258.159	1.379	40	0		CDABRM
CCO[C@H](C)C(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1	ZINC000262445210	286424783	/nfs/dbraw/zinc/42/47/83/286424783.db2.gz	ONZYXKKOJBUXDX-ZJUUUORDSA-N	-1	0	255.314	1.125	40	0		CDABRM
CCO[C@H](C)C(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1	ZINC000262445203	286424797	/nfs/dbraw/zinc/42/47/97/286424797.db2.gz	ONZYXKKOJBUXDX-NXEZZACHSA-N	-1	0	255.314	1.125	40	0		CDABRM
CC(C)c1ccc(Cc2nnc(NCCO)[n-]c2=O)cc1	ZINC000005154580	170071112	/nfs/dbraw/zinc/07/11/12/170071112.db2.gz	OTBAJKSUGLLVLF-UHFFFAOYSA-N	-1	0	288.351	1.283	40	0		CDABRM
CC(C)CNS(=O)(=O)c1cc(C(=O)[O-])ccc1F	ZINC000008029986	170315284	/nfs/dbraw/zinc/31/52/84/170315284.db2.gz	NVAWLJRJMLCWBC-UHFFFAOYSA-N	-1	0	275.301	1.458	40	0		CDABRM
O=C([O-])c1ccc(OCCCN2CCOCC2)cc1	ZINC000008731493	170350992	/nfs/dbraw/zinc/35/09/92/170350992.db2.gz	LNCKGKMBUWHFGQ-UHFFFAOYSA-N	-1	0	265.309	1.486	40	0		CDABRM
Cc1cc(Cl)nc(NC(=O)c2nn(C)cc2C(=O)[O-])n1	ZINC000036617525	172641774	/nfs/dbraw/zinc/64/17/74/172641774.db2.gz	PESYUNXOTSVQSL-UHFFFAOYSA-N	-1	0	295.686	1.122	40	0		CDABRM
O=C([O-])[C@@H](NC(=O)OCc1ccccc1)C1CCOCC1	ZINC000039957137	174179284	/nfs/dbraw/zinc/17/92/84/174179284.db2.gz	VTENIAVLDXOKCR-ZDUSSCGKSA-N	-1	0	293.319	1.793	40	0		CDABRM
Cc1oc(-n2c(C)ccc2C)c(C(N)=O)c1C(=O)[O-]	ZINC000070453882	175940439	/nfs/dbraw/zinc/94/04/39/175940439.db2.gz	YEIZUNUKCCLTHU-UHFFFAOYSA-N	-1	0	262.265	1.793	40	0		CDABRM
CC(C)(C)OC(=O)NCc1cc(C(=O)[O-])ccn1	ZINC000072206877	176342876	/nfs/dbraw/zinc/34/28/76/176342876.db2.gz	XOYAJAPRHQNEMS-UHFFFAOYSA-N	-1	0	252.270	1.805	40	0		CDABRM
COc1cccc(C(=O)N2CCC=C(C(=O)[O-])C2)c1	ZINC000072226973	176343346	/nfs/dbraw/zinc/34/33/46/176343346.db2.gz	PBLCZNJDUBSNJS-UHFFFAOYSA-N	-1	0	261.277	1.552	40	0		CDABRM
CC(=O)N1CCC[C@@]1(CCCc1ccccn1)C(=O)[O-]	ZINC000072343767	176372227	/nfs/dbraw/zinc/37/22/27/176372227.db2.gz	ZPXXCWZJPDVFMG-HNNXBMFYSA-N	-1	0	276.336	1.870	40	0		CDABRM
C[C@H](C[C@H]1NCc2ccccc2N1)n1[n-]c(=O)ccc1=O	ZINC000409202483	261148460	/nfs/dbraw/zinc/14/84/60/261148460.db2.gz	SUEAHWBBGNSXPD-MFKMUULPSA-N	-1	0	286.335	1.441	40	0		CDABRM
CN1CCN(C(=O)c2cccc3cccc(C(=O)[O-])c32)CC1	ZINC000001590199	290031862	/nfs/dbraw/zinc/03/18/62/290031862.db2.gz	GHKVSHCCNQCYIP-UHFFFAOYSA-N	-1	0	298.342	1.926	40	0		CDABRM
Cc1cc(C(=O)[O-])cc(I)c1N	ZINC000001722682	301154025	/nfs/dbraw/zinc/15/40/25/301154025.db2.gz	FQJILFUOOSJTIT-UHFFFAOYSA-N	-1	0	277.061	1.880	40	0		CDABRM
COc1ccc(C(=O)[O-])cc1NC(=S)NC(C)=O	ZINC000009064222	327178519	/nfs/dbraw/zinc/17/85/19/327178519.db2.gz	HAPYDMDWPRKMJO-UHFFFAOYSA-N	-1	0	268.294	1.226	40	0		CDABRM
O=C([O-])[C@H]1CS[C@H](Cc2ccc(F)c(F)c2)C(=O)N1	ZINC000062712327	526332556	/nfs/dbraw/zinc/33/25/56/526332556.db2.gz	LQKHGTVMZZNSIK-NXEZZACHSA-N	-1	0	287.287	1.192	40	0		CDABRM
O=C([O-])c1ccc2c(I)c[nH]c2n1	ZINC000238660830	1158449145	/nfs/dbraw/zinc/44/91/45/1158449145.db2.gz	SBAZTPWNMAPLOE-UHFFFAOYSA-N	-1	0	288.044	1.866	40	0		CDABRM
CC1(C)C[C@H]2C=C(C(=O)[O-])[C@@H]3C[C@@H](O)[C@](C)(O)[C@@]32C1	ZINC000031162499	1165717876	/nfs/dbraw/zinc/71/78/76/1165717876.db2.gz	OMRLJECTMKPHFG-JENWIEIFSA-N	-1	0	266.337	1.565	40	0	biogenic,in-vitro	CDABRM
C[C@@]12C=C[C@@H](O1)[C@H](C(=O)[O-])[C@H]2C(=O)Nc1ccccc1F	ZINC000409375802	230413783	/nfs/dbraw/zinc/41/37/83/230413783.db2.gz	PKOYKKYMEDDHEY-YXMPFFBPSA-N	-1	0	291.278	1.809	40	0		CDABRM
COC1(CC(=O)N2CCC(CC(=O)[O-])CC2)CCC1	ZINC000234569571	536594731	/nfs/dbraw/zinc/59/47/31/536594731.db2.gz	BQKKUOSVOXNUKQ-UHFFFAOYSA-N	-1	0	269.341	1.659	40	0		CDABRM
C[C@@H]1CC[C@@H](C(=O)[O-])[C@@H](C)N1Cc1nnn(C(C)(C)C)n1	ZINC000685938888	539043204	/nfs/dbraw/zinc/04/32/04/539043204.db2.gz	YNTUUSUQYSZUJC-GMTAPVOTSA-N	-1	0	295.387	1.502	40	0		CDABRM
C[C@@H](O)C[C@H](C)CNC(=O)c1c([O-])cc(F)cc1F	ZINC000081796199	362213975	/nfs/dbraw/zinc/21/39/75/362213975.db2.gz	KPCVDNYEUPZYDM-JGVFFNPUSA-N	-1	0	273.279	1.807	40	0		CDABRM
Cc1ncsc1C(=O)N1CCC(CC(=O)[O-])CC1	ZINC000110300948	186290390	/nfs/dbraw/zinc/29/03/90/186290390.db2.gz	DQJWWXLMQVZSCW-UHFFFAOYSA-N	-1	0	268.338	1.778	40	0		CDABRM
CCS(=O)(=O)[C@@H]1[C@@H](C(=O)[O-])[C@@H]1c1ccc(C)cc1	ZINC000218351568	366009871	/nfs/dbraw/zinc/00/98/71/366009871.db2.gz	YTNBYGLMXBSEAY-SRVKXCTJSA-N	-1	0	268.334	1.596	40	0		CDABRM
O=C([O-])[C@H]1C(=O)NC[C@H]1c1cccc2ccccc21	ZINC000256050038	350908905	/nfs/dbraw/zinc/90/89/05/350908905.db2.gz	CKLDLZGMCMAFFZ-QWHCGFSZSA-N	-1	0	255.273	1.754	40	0		CDABRM
O=C([O-])CCCCCCNC(=O)c1cccnc1	ZINC000004559796	363244579	/nfs/dbraw/zinc/24/45/79/363244579.db2.gz	JJDWCJMKRVJVKS-UHFFFAOYSA-N	-1	0	250.298	1.847	40	0		CDABRM
CC(C)(C)OC(=O)N1CCC(F)(F)[C@H]1C(=O)[O-]	ZINC000034484290	363384325	/nfs/dbraw/zinc/38/43/25/363384325.db2.gz	KYKGTPMAQQHAOU-ZCFIWIBFSA-N	-1	0	251.229	1.716	40	0		CDABRM
O=C([O-])[C@H]1CCC(=O)N1Cc1c[nH]c2ccccc12	ZINC000001609222	355942308	/nfs/dbraw/zinc/94/23/08/355942308.db2.gz	POFGGCBPVCNVHO-GFCCVEGCSA-N	-1	0	258.277	1.744	40	0		CDABRM
COc1ccc(-c2nnc(CS(=O)(=O)[O-])o2)cc1	ZINC000408712116	356096921	/nfs/dbraw/zinc/09/69/21/356096921.db2.gz	ASRMZBFAVUCCEJ-UHFFFAOYSA-N	-1	0	270.266	1.133	40	0		CDABRM
O=C([O-])c1cc(=O)[nH]c(-c2cccc(Cl)c2)n1	ZINC000049470015	357217248	/nfs/dbraw/zinc/21/72/48/357217248.db2.gz	ZDIMVKBCPCEZLH-UHFFFAOYSA-N	-1	0	250.641	1.789	40	0		CDABRM
CCn1nccc1CNC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)[O-]	ZINC000036610998	358363854	/nfs/dbraw/zinc/36/38/54/358363854.db2.gz	DQYYBGBZXDGRGT-DNIRFERGSA-N	-1	0	289.335	1.042	40	0		CDABRM
Cn1nc(-c2nnc(CCC(=O)[O-])o2)cc1C1CC1	ZINC000096298954	358731809	/nfs/dbraw/zinc/73/18/09/358731809.db2.gz	WVCSVIMNMBLLOF-UHFFFAOYSA-N	-1	0	262.269	1.365	40	0		CDABRM
CCCCc1c([O-])c2c(=O)nc(C)[n-]c2oc1=O	ZINC000104238344	358953505	/nfs/dbraw/zinc/95/35/05/358953505.db2.gz	MQAKLVSVHALHKB-UHFFFAOYSA-N	-1	0	250.254	1.645	40	0		CDABRM
CC(=O)Nc1ccc(Oc2nc(C)cc(=O)[n-]2)cc1	ZINC000226823463	364193245	/nfs/dbraw/zinc/19/32/45/364193245.db2.gz	HKEWBNRNQKMYCJ-UHFFFAOYSA-N	-1	0	259.265	1.829	40	0		CDABRM
COCCCN(CCC(=O)[O-])C(=O)OC(C)(C)C	ZINC000005066728	365055860	/nfs/dbraw/zinc/05/58/60/365055860.db2.gz	JBYNLCNXFQVPBB-UHFFFAOYSA-N	-1	0	261.318	1.735	40	0		CDABRM
O=C([O-])Cn1nnc2cccc(Br)c21	ZINC000211358207	372776536	/nfs/dbraw/zinc/77/65/36/372776536.db2.gz	WVXXVCOWYPJALN-UHFFFAOYSA-N	-1	0	256.059	1.278	40	0		CDABRM
CCOc1cc(N2CCC(C(=O)[O-])CC2)ncn1	ZINC000079438825	374404789	/nfs/dbraw/zinc/40/47/89/374404789.db2.gz	VTDHKUZKHFBXTR-UHFFFAOYSA-N	-1	0	251.286	1.176	40	0		CDABRM
O=C([O-])CCn1nc(C(F)(F)F)c2cnccc21	ZINC000011919528	374471553	/nfs/dbraw/zinc/47/15/53/374471553.db2.gz	AOKGAVWRNRMLBJ-UHFFFAOYSA-N	-1	0	259.187	1.925	40	0		CDABRM
Cc1nn(CCC(F)(F)F)cc1S(=O)(=O)[O-]	ZINC000408716996	541964753	/nfs/dbraw/zinc/96/47/53/541964753.db2.gz	UNJBCZVLBXFNFT-UHFFFAOYSA-N	-1	0	258.221	1.391	40	0		CDABRM
C[C@H](O)CCC/C=C/[C@@H]1C[C@H](O)C[C@H]1[C@@H](O)/C=C/C(=O)[O-]	ZINC000252679192	189982316	/nfs/dbraw/zinc/98/23/16/189982316.db2.gz	JFMRAARESGPLQF-PNFJWZTBSA-N	-1	0	298.379	1.483	40	0	biogenic,in-vitro	CDABRM
CS(=O)(=O)[C@@H]1[C@@H](C(=O)[O-])[C@@H]1c1ccc(F)cc1	ZINC000218395358	375827803	/nfs/dbraw/zinc/82/78/03/375827803.db2.gz	PZNYIXZVPPJWHX-GUBZILKMSA-N	-1	0	258.270	1.037	40	0		CDABRM
C[C@H](Oc1ccc2nc3n(c(=O)c2c1)CCC3)C(=O)[O-]	ZINC000218787424	375896516	/nfs/dbraw/zinc/89/65/16/375896516.db2.gz	MPUDUBDHLJIAAU-QMMMGPOBSA-N	-1	0	274.276	1.195	40	0		CDABRM
O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@@H]1C(=O)NC1CCCCC1	ZINC000006185577	304211095	/nfs/dbraw/zinc/21/10/95/304211095.db2.gz	GZFZHAGZCXCMND-URBCHYCLSA-N	-1	0	263.337	1.958	40	0		CDABRM
O=C([O-])c1cccc(O)c1I	ZINC000095713705	304264747	/nfs/dbraw/zinc/26/47/47/304264747.db2.gz	YCPLPINFTMFQTD-UHFFFAOYSA-N	-1	0	264.018	1.695	40	0		CDABRM
O=C([O-])c1cnc(COc2ccc(Cl)cc2)[nH]c1=O	ZINC000049468496	304277136	/nfs/dbraw/zinc/27/71/36/304277136.db2.gz	WTLMLMAKFWJARK-UHFFFAOYSA-N	-1	0	280.667	1.701	40	0		CDABRM
COc1cc([C@H]2COC(=O)[C@@H]2C(=O)[O-])cc(OC)c1OC	ZINC000242687713	256698889	/nfs/dbraw/zinc/69/88/89/256698889.db2.gz	URRWGMJSIAKNBC-KCJUWKMLSA-N	-1	0	296.275	1.054	40	0		CDABRM
O=C([O-])c1ccc(Cn2nc3c(cc2=O)CCCC3)cc1	ZINC000096516126	390534036	/nfs/dbraw/zinc/53/40/36/390534036.db2.gz	PRFJYPCXISGGLJ-UHFFFAOYSA-N	-1	0	284.315	1.869	40	0		CDABRM
Cc1ncn(Cc2cccc(C(=O)[O-])c2)c(=O)c1C	ZINC000096531084	390541709	/nfs/dbraw/zinc/54/17/09/390541709.db2.gz	DETFHRHDWJRLQF-UHFFFAOYSA-N	-1	0	258.277	1.607	40	0		CDABRM
COCCOc1cc(O)c(C=O)cc1Br	ZINC000072219740	390623169	/nfs/dbraw/zinc/62/31/69/390623169.db2.gz	UZXUNJQZQMBGAI-UHFFFAOYSA-N	-1	0	275.098	1.992	40	0		CDABRM
CCNS(=O)(=O)c1cc(C(=O)[O-])ccc1OCC	ZINC000310694329	391314911	/nfs/dbraw/zinc/31/49/11/391314911.db2.gz	OVEPNOAXQYAQKF-UHFFFAOYSA-N	-1	0	273.310	1.082	40	0		CDABRM
Cc1ccc([C@@H]2N[C@H](C(=O)[O-])Cc3[nH]cnc32)c(C)c1	ZINC000005066931	391722995	/nfs/dbraw/zinc/72/29/95/391722995.db2.gz	BOJXSBWQQAVNHJ-STQMWFEESA-N	-1	0	271.320	1.715	40	0		CDABRM
COC[C@H](C)CC(=O)N1CCC[C@@H](C)[C@H]1C(=O)[O-]	ZINC000300272428	391779387	/nfs/dbraw/zinc/77/93/87/391779387.db2.gz	LYKVTJSMDHROCZ-FOGDFJRCSA-N	-1	0	257.330	1.371	40	0		CDABRM
CCc1nc(SC(=Cc2ccncc2)C(=O)[O-])n[nH]1	ZINC000213397558	392701684	/nfs/dbraw/zinc/70/16/84/392701684.db2.gz	WVVFIUJTVLKYFX-CLFYSBASSA-N	-1	0	276.321	1.980	40	0		CDABRM
CC(C)[C@H]([NH2+]Cc1ccccc1OCC(=O)[O-])C(=O)[O-]	ZINC000062716868	392802691	/nfs/dbraw/zinc/80/26/91/392802691.db2.gz	HICQQXDTSXBBMP-ZDUSSCGKSA-N	-1	0	281.308	1.349	40	0		CDABRM
CCC1(S(=O)(=O)[N-]C(=O)[C@H]2CCC[C@@H](OC)C2)CC1	ZINC000408502072	160792272	/nfs/dbraw/zinc/79/22/72/160792272.db2.gz	YYJPCMCAWSYCCX-WDEREUQCSA-N	-1	0	289.397	1.580	40	0		CDABRM
O=C([O-])CCC(=O)N1CCC(C(=O)c2ccccc2)CC1	ZINC000004966780	170046456	/nfs/dbraw/zinc/04/64/56/170046456.db2.gz	UFDLWNDYJXTZSN-UHFFFAOYSA-N	-1	0	289.331	1.973	40	0		CDABRM
O=S(=O)([N-]c1nncs1)c1ccc(F)cc1	ZINC000005557827	170113161	/nfs/dbraw/zinc/11/31/61/170113161.db2.gz	WLVDPNOGGQMUIN-UHFFFAOYSA-N	-1	0	259.287	1.478	40	0		CDABRM
Cc1cccc([C@@H]2N[C@@H](C(=O)[O-])Cc3[nH]cnc32)c1	ZINC000005818514	170143746	/nfs/dbraw/zinc/14/37/46/170143746.db2.gz	BTGPLKVLZKCBQX-NEPJUHHUSA-N	-1	0	257.293	1.406	40	0		CDABRM
O=C([O-])[C@H]1CCCCN1C(=O)Cc1cc(C2CC2)no1	ZINC000663027395	413834234	/nfs/dbraw/zinc/83/42/34/413834234.db2.gz	TWRLQZQIRZCYIR-GFCCVEGCSA-N	-1	0	278.308	1.560	40	0		CDABRM
O=C([O-])c1cc(NC(=O)[C@@H]2COCCO2)ccc1Cl	ZINC000037404390	173180514	/nfs/dbraw/zinc/18/05/14/173180514.db2.gz	YYLHMVPZGXRAQP-JTQLQIEISA-N	-1	0	285.683	1.392	40	0		CDABRM
O=C([O-])[C@@H]1CCCCN1C(=O)COc1cccc(F)c1	ZINC000037410745	173187405	/nfs/dbraw/zinc/18/74/05/173187405.db2.gz	SXBIBTCBTPZNHY-LBPRGKRZSA-N	-1	0	281.283	1.670	40	0		CDABRM
O=c1ccn(Cc2nnn[n-]2)c2c1cccc2C(F)(F)F	ZINC000040175733	174201512	/nfs/dbraw/zinc/20/15/12/174201512.db2.gz	DCJHNQBXZNNZEV-UHFFFAOYSA-N	-1	0	295.224	1.582	40	0		CDABRM
CCOC(=O)C1=NN(c2ccccc2C)[C@H](C(=O)[O-])C1	ZINC000071979197	176307813	/nfs/dbraw/zinc/30/78/13/176307813.db2.gz	LCKAWJQZBURCPA-LBPRGKRZSA-N	-1	0	276.292	1.577	40	0		CDABRM
CC(=O)N1CCC[C@H]1c1nccnc1[N-]c1ncccn1	ZINC000072384628	176388773	/nfs/dbraw/zinc/38/87/73/176388773.db2.gz	SZVZIIUBSSZYKF-NSHDSACASA-N	-1	0	284.323	1.694	40	0		CDABRM
CC(C)(C)OC(=O)N(CCC(=O)[O-])C[C@H]1CCCO1	ZINC000005066749	261436434	/nfs/dbraw/zinc/43/64/34/261436434.db2.gz	KKKDGKJWBQFUIX-SNVBAGLBSA-N	-1	0	273.329	1.877	40	0		CDABRM
CC(=O)c1nnc2[n-]n(-c3ccccc3)c(=O)c2c1C	ZINC000010325847	278254406	/nfs/dbraw/zinc/25/44/06/278254406.db2.gz	RECTYYVHTJZUMU-UHFFFAOYSA-N	-1	0	268.276	1.620	40	0		CDABRM
CC(C)(O)C1=CC[C@@]23CO[C@@H](C2)[C@@](O)(C(=O)[O-])CC[C@H]13	ZINC000253374180	278637468	/nfs/dbraw/zinc/63/74/68/278637468.db2.gz	LKOCXGZSSYQSLN-FDRIWYBQSA-N	-1	0	282.336	1.088	40	0	biogenic,in-vitro	CDABRM
COc1ccc(C(=O)N[C@@H](C)[C@@H](C)C(=O)[O-])c(F)c1	ZINC000228707560	280108957	/nfs/dbraw/zinc/10/89/57/280108957.db2.gz	QAOBQBZJRJKWBR-SFYZADRCSA-N	-1	0	269.272	1.673	40	0		CDABRM
CCn1cc(Cl)cc1C(=O)N(C)Cc1n[n-]c(=O)o1	ZINC000899169940	622081721	/nfs/dbraw/zinc/08/17/21/622081721.db2.gz	IJKKTCZSAMNKRQ-UHFFFAOYSA-N	-1	0	284.703	1.522	40	0		CDABRM
CCO[C@@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)[O-]	ZINC000206902910	342155437	/nfs/dbraw/zinc/15/54/37/342155437.db2.gz	DSLWCRVOGPJERI-CMPLNLGQSA-N	-1	0	281.308	1.791	40	0		CDABRM
Cc1cccc(C(=O)N2CCOC[C@H]2CC(=O)[O-])c1Cl	ZINC000160254920	362405497	/nfs/dbraw/zinc/40/54/97/362405497.db2.gz	FPVVSRPYFUJQFJ-SNVBAGLBSA-N	-1	0	297.738	1.964	40	0		CDABRM
CCN(CC)c1nn(-c2ccc(OC)cc2)nc1C(=O)[O-]	ZINC000256048954	350908810	/nfs/dbraw/zinc/90/88/10/350908810.db2.gz	XINXHJGWDJFJHI-UHFFFAOYSA-N	-1	0	290.323	1.820	40	0		CDABRM
Cc1ncc([N-]S(=O)(=O)c2ccc(N)cc2)nc1C	ZINC000001673586	355946187	/nfs/dbraw/zinc/94/61/87/355946187.db2.gz	FFGGFJZSRIYDFZ-UHFFFAOYSA-N	-1	0	278.337	1.476	40	0		CDABRM
CCCCCNS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1	ZINC000013073649	356336733	/nfs/dbraw/zinc/33/67/33/356336733.db2.gz	YSQGLPUQRZNFRE-UHFFFAOYSA-N	-1	0	289.328	1.992	40	0		CDABRM
COC(=O)CSc1ncc(Br)c(=O)[n-]1	ZINC000016124890	356430818	/nfs/dbraw/zinc/43/08/18/356430818.db2.gz	DJGRHIUDLDQHBX-UHFFFAOYSA-N	-1	0	279.115	1.210	40	0		CDABRM
CCOC(=O)/C=C\C(=O)Nc1ccc(C(=O)[O-])c(O)c1	ZINC000017355104	356459349	/nfs/dbraw/zinc/45/93/49/356459349.db2.gz	SPJMXGWVDDREEU-WAYWQWQTSA-N	-1	0	279.248	1.148	40	0		CDABRM
CC(C)(C)NS(=O)(=O)c1ccsc1C(=O)[O-]	ZINC000015424125	357452254	/nfs/dbraw/zinc/45/22/54/357452254.db2.gz	PJKPZNOIFGAUSR-UHFFFAOYSA-N	-1	0	263.340	1.523	40	0		CDABRM
O=C([O-])CNC(=O)CN1CCC[C@H]1Cc1cccc(F)c1	ZINC000225568509	358527825	/nfs/dbraw/zinc/52/78/25/358527825.db2.gz	RNEGSJDYJSUOCP-ZDUSSCGKSA-N	-1	0	294.326	1.033	40	0		CDABRM
CCc1nc2n(n1)[C@@H](c1ccccn1)CC(C(=O)[O-])=N2	ZINC000102334199	358875563	/nfs/dbraw/zinc/87/55/63/358875563.db2.gz	ZQVCYACSANGSMZ-SNVBAGLBSA-N	-1	0	271.280	1.219	40	0		CDABRM
Cc1ccc(S(=O)(=O)NCC(=O)[O-])c2ccccc12	ZINC000012291214	358900210	/nfs/dbraw/zinc/90/02/10/358900210.db2.gz	PTVFJLRBOXDLGS-UHFFFAOYSA-N	-1	0	279.317	1.511	40	0		CDABRM
Cc1cccc(OCc2ncc(CCC(=O)[O-])c(=O)[nH]2)c1	ZINC000223442695	359426751	/nfs/dbraw/zinc/42/67/51/359426751.db2.gz	ASHHFXNZHRDIEA-UHFFFAOYSA-N	-1	0	288.303	1.675	40	0		CDABRM
Cc1ccc(OCc2ncc(CCC(=O)[O-])c(=O)[nH]2)cc1	ZINC000223442780	359427203	/nfs/dbraw/zinc/42/72/03/359427203.db2.gz	YLFUIAQODARRMR-UHFFFAOYSA-N	-1	0	288.303	1.675	40	0		CDABRM
CO[C@@H]1C(=O)N(c2ccc(Cl)cc2)[C@H]1C(=O)[O-]	ZINC000218277881	365258798	/nfs/dbraw/zinc/25/87/98/365258798.db2.gz	PTXDKQFQKITKRH-BDAKNGLRSA-N	-1	0	255.657	1.155	40	0		CDABRM
Cn1c(SCC(=O)[O-])nnc1-c1ccc(F)cc1	ZINC000003841514	367146826	/nfs/dbraw/zinc/14/68/26/367146826.db2.gz	BWIXDGJQLLFRLX-UHFFFAOYSA-N	-1	0	267.285	1.798	40	0		CDABRM
Cn1c(SCC(=O)[O-])nnc1-c1ccc(F)cc1F	ZINC000002523735	367326228	/nfs/dbraw/zinc/32/62/28/367326228.db2.gz	UZILCZPCCWGQFT-UHFFFAOYSA-N	-1	0	285.275	1.937	40	0		CDABRM
Cn1ncc2nc(Br)cc(C(=O)[O-])c21	ZINC000575441166	370063030	/nfs/dbraw/zinc/06/30/30/370063030.db2.gz	NKMTXZYBVGPJCP-UHFFFAOYSA-N	-1	0	256.059	1.429	40	0		CDABRM
CCS(=O)(=O)[C@H]1[C@@H](c2cccc(Cl)c2)[C@H]1C(=O)[O-]	ZINC000218374291	375820650	/nfs/dbraw/zinc/82/06/50/375820650.db2.gz	STHHUKPIHANDDI-AXFHLTTASA-N	-1	0	288.752	1.941	40	0		CDABRM
Cc1nn(C(C)(C)C)c(C)c1S(=O)(=O)[N-]c1nnc[nH]1	ZINC000073840449	375799960	/nfs/dbraw/zinc/79/99/60/375799960.db2.gz	ZXUCJQWTQHRDPB-UHFFFAOYSA-N	-1	0	298.372	1.174	40	0		CDABRM
CC(C)(C)OC(=O)N1CCCC[C@H]1COCC(=O)[O-]	ZINC000034488083	376391943	/nfs/dbraw/zinc/39/19/43/376391943.db2.gz	HBBHDRYEUJYZHM-JTQLQIEISA-N	-1	0	273.329	1.877	40	0		CDABRM
O=C([O-])Cn1nc(Br)c2ccccc21	ZINC000218821898	377330485	/nfs/dbraw/zinc/33/04/85/377330485.db2.gz	WHQKCMGAPVFXIX-UHFFFAOYSA-N	-1	0	255.071	1.883	40	0		CDABRM
O=C([O-])[C@H]1[C@@H](C(=O)N2CCCCCC2)[C@H]2C=C[C@@H]1O2	ZINC000225696543	304209404	/nfs/dbraw/zinc/20/94/04/304209404.db2.gz	AIXKLNBEFCDSDD-NOOOWODRSA-N	-1	0	265.309	1.043	40	0		CDABRM
O=C([O-])c1cc(=O)n(-c2ccc(C(F)(F)F)cc2)[nH]1	ZINC000100690960	304220423	/nfs/dbraw/zinc/22/04/23/304220423.db2.gz	ILGYITRFAGAYTB-UHFFFAOYSA-N	-1	0	272.182	1.883	40	0		CDABRM
CCOc1cccc(C[NH2+][C@H](C)C(=O)[O-])c1OCC(=O)[O-]	ZINC000062716991	256721680	/nfs/dbraw/zinc/72/16/80/256721680.db2.gz	JYAQKYAFYZAGHS-SECBINFHSA-N	-1	0	297.307	1.111	40	0		CDABRM
O=C([O-])c1cnc2ccc(F)cc2c1N1CCOCC1	ZINC000012415291	304279234	/nfs/dbraw/zinc/27/92/34/304279234.db2.gz	CSQMEPDUJPMZRL-UHFFFAOYSA-N	-1	0	276.267	1.909	40	0		CDABRM
O=C([O-])Cn1ccc2ccn(Cc3ccccc3)c2c1=O	ZINC000096517232	390531655	/nfs/dbraw/zinc/53/16/55/390531655.db2.gz	BRZVUVGSPLTJMA-UHFFFAOYSA-N	-1	0	282.299	1.936	40	0		CDABRM
C[C@@H](C(=O)Nc1ncn(CC(=O)[O-])n1)c1cccs1	ZINC000647780220	390863144	/nfs/dbraw/zinc/86/31/44/390863144.db2.gz	OUSYTECZEKJJNR-SSDOTTSWSA-N	-1	0	280.309	1.166	40	0		CDABRM
O=C([N-]S(=O)(=O)Cc1cccnc1)[C@@H]1CC[C@H]2C[C@H]2C1	ZINC000408504566	160792645	/nfs/dbraw/zinc/79/26/45/160792645.db2.gz	VIGRAYVGSCFIIO-XQQFMLRXSA-N	-1	0	294.376	1.464	40	0		CDABRM
COc1ccc(C(C)=O)cc1NC(=O)C=CC(=O)[O-]	ZINC000006857180	170250127	/nfs/dbraw/zinc/25/01/27/170250127.db2.gz	IEVQOVQHAMFAHA-AATRIKPKSA-N	-1	0	263.249	1.477	40	0		CDABRM
Cc1cc(C=O)c(C)n1N(CC(=O)[O-])C(=O)c1ccco1	ZINC000008729230	170350304	/nfs/dbraw/zinc/35/03/04/170350304.db2.gz	XYDOXMYCVHZAPD-UHFFFAOYSA-N	-1	0	290.275	1.373	40	0		CDABRM
CC[C@H](C)[C@H](NC(=O)Cc1ccccc1F)C(=O)[O-]	ZINC000022223536	171379523	/nfs/dbraw/zinc/37/95/23/171379523.db2.gz	LRYDSOCWTGIMHR-ZANVPECISA-N	-1	0	267.300	1.984	40	0		CDABRM
CCOc1ccc(/C=C/C(=O)NCCC(=O)[O-])cc1	ZINC000037411859	173188761	/nfs/dbraw/zinc/18/87/61/173188761.db2.gz	QPORRZDTMXWOSE-VMPITWQZSA-N	-1	0	263.293	1.689	40	0		CDABRM
CCOc1ccccc1[C@H]1N[C@@H](C(=O)[O-])Cc2[nH]cnc21	ZINC000071643661	176239781	/nfs/dbraw/zinc/23/97/81/176239781.db2.gz	MUGUBLVQTVJECG-DGCLKSJQSA-N	-1	0	287.319	1.497	40	0		CDABRM
Nc1c(Br)cc(CC(=O)[O-])c(F)c1F	ZINC000228906019	260316815	/nfs/dbraw/zinc/31/68/15/260316815.db2.gz	NMPAUXUEJBWFEJ-UHFFFAOYSA-N	-1	0	266.041	1.937	40	0		CDABRM
CC1(C)CN(C(=O)c2ccccc2C(=O)[O-])CCO1	ZINC000036232063	281223746	/nfs/dbraw/zinc/22/37/46/281223746.db2.gz	MKYZJUAYBLILQJ-UHFFFAOYSA-N	-1	0	263.293	1.636	40	0		CDABRM
Nc1nc(N2CCCCC2)[n-]c(=O)c1Br	ZINC000040175480	295368307	/nfs/dbraw/zinc/36/83/07/295368307.db2.gz	JQHWIQGRAJBFLI-UHFFFAOYSA-N	-1	0	273.134	1.105	40	0		CDABRM
O=C([O-])c1ccnn(-c2ccc(Br)cc2)c1=O	ZINC000225790869	333182317	/nfs/dbraw/zinc/18/23/17/333182317.db2.gz	SYSOIUZWGZTLLA-UHFFFAOYSA-N	-1	0	295.092	1.693	40	0		CDABRM
O=C([O-])CC[C@@H]1NC(=S)N(CCc2ccccc2)C1=O	ZINC000225783361	333182366	/nfs/dbraw/zinc/18/23/66/333182366.db2.gz	MMQTXTGMWJZQQC-NSHDSACASA-N	-1	0	292.360	1.179	40	0		CDABRM
O=C([O-])[C@@]1(NC(=O)[C@H]2CCCOC2)CCc2ccccc21	ZINC000678979094	483240863	/nfs/dbraw/zinc/24/08/63/483240863.db2.gz	ONRUEVYAZRLEBB-BLLLJJGKSA-N	-1	0	289.331	1.456	40	0		CDABRM
CN(Cc1cn(C)nn1)[C@@H](C(=O)[O-])c1cccc(Cl)c1	ZINC000905374218	626790724	/nfs/dbraw/zinc/79/07/24/626790724.db2.gz	SDGVHXVYVIYXLX-GFCCVEGCSA-N	-1	0	294.742	1.726	40	0		CDABRM
CC(C)(C)OC(=O)Nc1cccc(-n2nn[n-]c2=O)c1	ZINC000584884003	688446748	/nfs/dbraw/zinc/44/67/48/688446748.db2.gz	AUVVPSKJJQVKBE-UHFFFAOYSA-N	-1	0	277.284	1.715	40	0		CDABRM
CCN1C(=O)N/C(=C/c2cc([O-])ccc2[N+](=O)[O-])C1=O	ZINC000006951346	342495376	/nfs/dbraw/zinc/49/53/76/342495376.db2.gz	ZICYBMKGSDCZSP-RMKNXTFCSA-N	-1	0	277.236	1.213	40	0		CDABRM
O=C([O-])[C@@H]1CCC(=O)N1Cc1ccc(OC(F)F)cc1	ZINC000096031986	185067202	/nfs/dbraw/zinc/06/72/02/185067202.db2.gz	AGEVEQHGIARMMX-JTQLQIEISA-N	-1	0	285.246	1.864	40	0		CDABRM
CCCC[C@H](CC)CNC(=O)[C@@H]1[C@@H](C(=O)[O-])[C@H]2C=C[C@@H]1O2	ZINC000169700400	361828322	/nfs/dbraw/zinc/82/83/22/361828322.db2.gz	ZSKVQAPLQMBJCD-HPCHECBXSA-N	-1	0	295.379	1.973	40	0		CDABRM
COC[C@@]1(C(=O)[O-])CCCN1C(=O)CC[C@H]1CCCO1	ZINC000643849977	361936983	/nfs/dbraw/zinc/93/69/83/361936983.db2.gz	IWSKDSHNSBDGPU-BXUZGUMPSA-N	-1	0	285.340	1.038	40	0		CDABRM
C[C@@H]1c2ncc(C(=O)[O-])n2CCN1C(=O)OC(C)(C)C	ZINC000396158565	342283676	/nfs/dbraw/zinc/28/36/76/342283676.db2.gz	KQWCDSMLQWMMOO-MRVPVSSYSA-N	-1	0	281.312	1.893	40	0		CDABRM
CC(C)C[C@@H](C(=O)[O-])[NH+]1CCC(c2n[nH]c(=O)[n-]2)CC1	ZINC000629488406	362096104	/nfs/dbraw/zinc/09/61/04/362096104.db2.gz	LXYIGZBCCCYUNB-JTQLQIEISA-N	-1	0	282.344	1.189	40	0		CDABRM
O=C([O-])CC[C@H]1COCCN1C(=O)OCc1ccccc1	ZINC000090694566	180025979	/nfs/dbraw/zinc/02/59/79/180025979.db2.gz	UWIKLDKPALYJTF-ZDUSSCGKSA-N	-1	0	293.319	1.889	40	0		CDABRM
O=C([O-])[C@@H]1CC[N@H+](Cc2cn3cc(Cl)ccc3n2)C1	ZINC000062134533	363015607	/nfs/dbraw/zinc/01/56/07/363015607.db2.gz	FAJJMJFXRUOHAU-SECBINFHSA-N	-1	0	279.727	1.894	40	0		CDABRM
Nc1ncnc2c1ncn2CCCCCCC(=O)[O-]	ZINC000001569549	355940179	/nfs/dbraw/zinc/94/01/79/355940179.db2.gz	MPNBGXGUVWYIIB-UHFFFAOYSA-N	-1	0	263.301	1.444	40	0		CDABRM
COc1ccc2cc([C@H](O)S(=O)(=O)[O-])ccc2c1	ZINC000003131466	355995548	/nfs/dbraw/zinc/99/55/48/355995548.db2.gz	RSWIVIZTNNXHCQ-GFCCVEGCSA-N	-1	0	268.290	1.727	40	0		CDABRM
CC(=O)N[C@@H](C(=O)[O-])[C@H](C)c1c[nH]c2ccccc21	ZINC000001728133	355949782	/nfs/dbraw/zinc/94/97/82/355949782.db2.gz	BJZSSQKRXOYXCT-AMIZOPFISA-N	-1	0	260.293	1.861	40	0		CDABRM
CC[C@H](C)Nc1ccc(S(N)(=O)=O)cc1C(=O)[O-]	ZINC000013276751	356341764	/nfs/dbraw/zinc/34/17/64/356341764.db2.gz	RSICNKVVEASNJR-ZETCQYMHSA-N	-1	0	272.326	1.243	40	0		CDABRM
CCS(=O)(=O)N1CCCc2cc(C(=O)[O-])ccc21	ZINC000036720479	356878735	/nfs/dbraw/zinc/87/87/35/356878735.db2.gz	HBUSNHFIAZOBNI-UHFFFAOYSA-N	-1	0	269.322	1.487	40	0		CDABRM
COc1cccc(C[C@H](C(=O)[O-])N2CCOCC2)c1	ZINC000041380451	357033167	/nfs/dbraw/zinc/03/31/67/357033167.db2.gz	HPBPOTDMZKWNSY-CYBMUJFWSA-N	-1	0	265.309	1.023	40	0		CDABRM
Cc1ccc(C[C@@H](C(=O)[O-])N2CCOCC2)c(C)c1	ZINC000057550740	357360083	/nfs/dbraw/zinc/36/00/83/357360083.db2.gz	RRTXJARYEASNIL-AWEZNQCLSA-N	-1	0	263.337	1.631	40	0		CDABRM
CCS(=O)(=O)N1C[C@@H](CC(=O)[O-])Oc2ccccc21	ZINC000096526955	357523794	/nfs/dbraw/zinc/52/37/94/357523794.db2.gz	JFIWXUFZKKUONL-SECBINFHSA-N	-1	0	285.321	1.078	40	0		CDABRM
CC(C)(C)OC(=O)NC1CCC(OCC(=O)[O-])CC1	ZINC000079390205	358068548	/nfs/dbraw/zinc/06/85/48/358068548.db2.gz	LZHJRZDMDBZMIO-UHFFFAOYSA-N	-1	0	273.329	1.924	40	0		CDABRM
O=C([O-])CSc1nc(=O)c2c3c(sc2[nH]1)CCC3	ZINC000020378655	304072922	/nfs/dbraw/zinc/07/29/22/304072922.db2.gz	SMGTXNZEJNINCA-UHFFFAOYSA-N	-1	0	282.346	1.650	40	0		CDABRM
COC(=O)c1cc(N)ccc1N1CCC(C(=O)[O-])CC1	ZINC000216931993	358970522	/nfs/dbraw/zinc/97/05/22/358970522.db2.gz	DQQAVKPYWBBUTE-UHFFFAOYSA-N	-1	0	278.308	1.356	40	0		CDABRM
Cc1cccc(C)c1C[C@H](C(=O)[O-])N1CCOCC1	ZINC000225141947	359552176	/nfs/dbraw/zinc/55/21/76/359552176.db2.gz	GKVGWWZSUQDNIS-CQSZACIVSA-N	-1	0	263.337	1.631	40	0		CDABRM
COc1ccccc1-n1nc(C(C)=O)cc(C(=O)[O-])c1=O	ZINC000225966554	359635903	/nfs/dbraw/zinc/63/59/03/359635903.db2.gz	KMOZYPYRYMBIHO-UHFFFAOYSA-N	-1	0	288.259	1.142	40	0		CDABRM
CCc1c(C(=O)[O-])nnn1-c1ccc(OC)cc1C	ZINC000085398208	360584486	/nfs/dbraw/zinc/58/44/86/360584486.db2.gz	WVUZKRAVRHJMOG-UHFFFAOYSA-N	-1	0	261.281	1.845	40	0		CDABRM
COC(C)(C)C(=O)NCc1ccc(C(=O)[O-])cc1	ZINC000181463813	189297499	/nfs/dbraw/zinc/29/74/99/189297499.db2.gz	RGRZSMOTWHEQHL-UHFFFAOYSA-N	-1	0	251.282	1.426	40	0		CDABRM
COc1cc(C=O)c(Br)c(C=O)c1[O-]	ZINC000218295176	365371504	/nfs/dbraw/zinc/37/15/04/365371504.db2.gz	PQIAHPNFXDEWFS-UHFFFAOYSA-N	-1	0	259.055	1.788	40	0		CDABRM
O=C([O-])[C@@H]1Cc2[nH]cnc2[C@@H](c2ccccc2Cl)N1	ZINC000005728968	304151282	/nfs/dbraw/zinc/15/12/82/304151282.db2.gz	VPFAMVMZJHWLJH-WDEREUQCSA-N	-1	0	277.711	1.751	40	0		CDABRM
O=C([O-])[C@@H]1[C@@H]2C=C[C@@H](CC2)[C@@H]1C(=O)NCc1cccnc1	ZINC000222429457	304155949	/nfs/dbraw/zinc/15/59/49/304155949.db2.gz	OHUIMECECYWTRW-RFQIPJPRSA-N	-1	0	286.331	1.611	40	0		CDABRM
Cc1ccc2[nH]c3c(cnn(CC(=O)[O-])c3=O)c2c1	ZINC000032916869	256875590	/nfs/dbraw/zinc/87/55/90/256875590.db2.gz	ALNYAVZZLXQMTC-UHFFFAOYSA-N	-1	0	257.249	1.271	40	0		CDABRM
CCOc1ccc([C@@H]2COC(=O)[C@@H]2C(=O)[O-])cc1	ZINC000242701463	390413335	/nfs/dbraw/zinc/41/33/35/390413335.db2.gz	WETDYNSLVQALKU-QWRGUYRKSA-N	-1	0	250.250	1.427	40	0		CDABRM
CCCCn1cc(N2C[C@H](C(=O)[O-])CC2=O)cn1	ZINC000096515673	390531982	/nfs/dbraw/zinc/53/19/82/390531982.db2.gz	NCRVRHHAAXYFEP-SECBINFHSA-N	-1	0	251.286	1.121	40	0		CDABRM
COCc1cc(-n2ccc(C(=O)[O-])n2)nc(C2CC2)n1	ZINC000096517412	390532953	/nfs/dbraw/zinc/53/29/53/390532953.db2.gz	YMRORDJFGHUDAA-UHFFFAOYSA-N	-1	0	274.280	1.384	40	0		CDABRM
O=C([O-])c1ccn(-c2cc(C(F)(F)F)ncn2)n1	ZINC000096517402	390533359	/nfs/dbraw/zinc/53/33/59/390533359.db2.gz	JQXKWEKWCHBFPY-UHFFFAOYSA-N	-1	0	258.159	1.379	40	0		CDABRM
CCc1cc(=O)n(Cc2ccc(C(=O)[O-])cc2)cn1	ZINC000096531046	390540770	/nfs/dbraw/zinc/54/07/70/390540770.db2.gz	CTUKRWIHPVETPI-UHFFFAOYSA-N	-1	0	258.277	1.552	40	0		CDABRM
CCC(=C([O-])c1ccc(N)cc1)S(=O)(=O)CC	ZINC000096518072	393188976	/nfs/dbraw/zinc/18/89/76/393188976.db2.gz	CNLLAVRXYMMJLC-LLVKDONJSA-N	-1	0	255.339	1.665	40	0		CDABRM
Cc1ccc(CS(=O)(=O)N[C@@H](C)C(=O)[O-])cc1F	ZINC000262428198	149062622	/nfs/dbraw/zinc/06/26/22/149062622.db2.gz	NXHPZLIOZVWSLY-QMMMGPOBSA-N	-1	0	275.301	1.027	40	0		CDABRM
O=C([O-])[C@H](O)[C@H](NC(=O)c1ccccc1)c1ccccc1	ZINC000004976340	170047874	/nfs/dbraw/zinc/04/78/74/170047874.db2.gz	HYJVYOWKYPNSTK-ZIAGYGMSSA-N	-1	0	285.299	1.603	40	0		CDABRM
O=C([O-])CCCCCNS(=O)(=O)c1ccccc1	ZINC000005214527	170076584	/nfs/dbraw/zinc/07/65/84/170076584.db2.gz	KKKPOIVLPJUNEA-UHFFFAOYSA-N	-1	0	271.338	1.610	40	0		CDABRM
CC(=O)N(CN1C(=O)CC[C@H]1C(=O)[O-])c1ccccc1	ZINC000005602030	170118639	/nfs/dbraw/zinc/11/86/39/170118639.db2.gz	MRXQPMGMSNXFDV-LBPRGKRZSA-N	-1	0	276.292	1.073	40	0		CDABRM
O=C([O-])[C@@H](c1ccccc1)[C@H](O)[C@@]1(O)CC=CCC1	ZINC000005664853	170125566	/nfs/dbraw/zinc/12/55/66/170125566.db2.gz	UOBIHZJUWDKZDT-KCQAQPDRSA-N	-1	0	262.305	1.687	40	0		CDABRM
CCCC(=O)NC(=S)Nc1ccc(C(=O)[O-])c(O)c1	ZINC000020151271	171037941	/nfs/dbraw/zinc/03/79/41/171037941.db2.gz	RHSHZVIRTKVDRX-UHFFFAOYSA-N	-1	0	282.321	1.704	40	0		CDABRM
CCOc1ccc(Cl)cc1/C=C1/NC(=O)[N-]C1=O	ZINC000409103151	261137393	/nfs/dbraw/zinc/13/73/93/261137393.db2.gz	BCXONELUKMACMQ-RMKNXTFCSA-N	-1	0	266.684	1.919	40	0		CDABRM
CC1=C[C@@H](C)[C@@H](C(=O)[O-])[C@@H](C(=O)N2CCN(C)CC2)C1	ZINC000004151554	281689166	/nfs/dbraw/zinc/68/91/66/281689166.db2.gz	WWKUJJPNJHOTEE-FRRDWIJNSA-N	-1	0	280.368	1.064	40	0		CDABRM
CCc1c(C)nc2n(c1=O)[C@@H](CC(=O)[O-])CS2	ZINC000061968089	288511851	/nfs/dbraw/zinc/51/18/51/288511851.db2.gz	RYWGZZLPAMJIJY-ZETCQYMHSA-N	-1	0	254.311	1.236	40	0		CDABRM
C[C@H](C(=O)N1CCC(CC(=O)[O-])CC1)n1ccnc1	ZINC000019746068	298007656	/nfs/dbraw/zinc/00/76/56/298007656.db2.gz	HXBQAVQLKQVXQJ-SNVBAGLBSA-N	-1	0	265.313	1.157	40	0		CDABRM
Cc1ccnc(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])c1	ZINC000004459483	302278086	/nfs/dbraw/zinc/27/80/86/302278086.db2.gz	RFUMBSXPMHJTPL-URBCHYCLSA-N	-1	0	272.304	1.851	40	0		CDABRM
Cc1nn(C)cc1[C@@H](C)NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-]	ZINC000036611013	302797396	/nfs/dbraw/zinc/79/73/96/302797396.db2.gz	IUDUEXQDVXJUOH-JLLWLGSASA-N	-1	0	291.351	1.573	40	0		CDABRM
NC(=O)N[C@@](Cc1ccccc1)(C(=O)[O-])c1ccccc1	ZINC000002033234	303280658	/nfs/dbraw/zinc/28/06/58/303280658.db2.gz	LYUANZCKPXLJEM-MRXNPFEDSA-N	-1	0	284.315	1.878	40	0		CDABRM
CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)[O-]	ZINC000028631705	482666712	/nfs/dbraw/zinc/66/67/12/482666712.db2.gz	OWJXXJTWCMKBCI-SCZZXKLOSA-N	-1	0	288.344	1.127	40	0		CDABRM
O=C([O-])[C@@]1(NC(=O)[C@@H]2CCCOC2)CCc2ccccc21	ZINC000678979096	483240280	/nfs/dbraw/zinc/24/02/80/483240280.db2.gz	ONRUEVYAZRLEBB-MLGOLLRUSA-N	-1	0	289.331	1.456	40	0		CDABRM
COC[C@](C)(CC(=O)[O-])NC(=O)[C@@H]1CC=CCC1	ZINC000237096314	601290776	/nfs/dbraw/zinc/29/07/76/601290776.db2.gz	MPRVIFDSOPKWLF-MFKMUULPSA-N	-1	0	255.314	1.339	40	0		CDABRM
COC(=O)c1nc[n-]c1C(=O)Nc1ccc(C)cc1	ZINC000095116813	695246281	/nfs/dbraw/zinc/24/62/81/695246281.db2.gz	RBBLJCLHTHKJHF-UHFFFAOYSA-N	-1	0	259.265	1.757	40	0		CDABRM
C[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccn(C)c2)SC1=S	ZINC000008497085	1165090211	/nfs/dbraw/zinc/09/02/11/1165090211.db2.gz	HSVWVXBOBRELAU-VYVBZAQUSA-N	-1	0	296.373	1.699	40	0		CDABRM
CC(=O)C1=C[C@H](c2ccccc2)C(=O)[C@@H]1CC(=O)[O-]	ZINC000028628922	1165709168	/nfs/dbraw/zinc/70/91/68/1165709168.db2.gz	GHSGDWNOMJQCAX-CHWSQXEVSA-N	-1	0	258.273	1.959	40	0		CDABRM
O=C([O-])c1cnc(NCC[C@H]2CCCCO2)nc1	ZINC000310969966	342142199	/nfs/dbraw/zinc/14/21/99/342142199.db2.gz	VNFKPTRETLVQDQ-SNVBAGLBSA-N	-1	0	251.286	1.546	40	0		CDABRM
O=C([O-])[C@@H]1CC(=O)O[C@H]1c1ccc(O)c(Cl)c1	ZINC000085393361	179048599	/nfs/dbraw/zinc/04/85/99/179048599.db2.gz	WHMWWFZRSMYFFA-LDWIPMOCSA-N	-1	0	256.641	1.734	40	0		CDABRM
COc1ccc([C@H]2OC(=O)C[C@@H]2C(=O)[O-])cc1OC	ZINC000085394804	179049006	/nfs/dbraw/zinc/04/90/06/179049006.db2.gz	AOQFQFPZJVXXBO-QPUJVOFHSA-N	-1	0	266.249	1.393	40	0		CDABRM
Cc1nc(C)c(CCNC(=O)C2(C(=O)[O-])CC2)s1	ZINC000154875430	188167465	/nfs/dbraw/zinc/16/74/65/188167465.db2.gz	DRCFFHGEIKIJQH-UHFFFAOYSA-N	-1	0	268.338	1.283	40	0		CDABRM
CC(C)[C@H](NS(=O)(=O)Cc1ccccc1)C(=O)[O-]	ZINC000001677517	355946856	/nfs/dbraw/zinc/94/68/56/355946856.db2.gz	PVFBCIXROHANCK-NSHDSACASA-N	-1	0	271.338	1.215	40	0		CDABRM
C[C@@H](C(=O)[O-])N(C)C(=O)c1cnc2ccccc2n1	ZINC000001703472	355947977	/nfs/dbraw/zinc/94/79/77/355947977.db2.gz	QZTGAMKKSOLPRY-QMMMGPOBSA-N	-1	0	259.265	1.175	40	0		CDABRM
CCS[C@H]1CC(=O)N(c2ccc(C(=O)[O-])cc2)C1=O	ZINC000016899511	356448755	/nfs/dbraw/zinc/44/87/55/356448755.db2.gz	YKBURSMSPMUISD-JTQLQIEISA-N	-1	0	279.317	1.770	40	0		CDABRM
C[C@H]1c2c(cc(=O)[nH]c2[O-])C(=O)N1Cc1ccccc1	ZINC000016958175	356449125	/nfs/dbraw/zinc/44/91/25/356449125.db2.gz	PVWZNLSEAJMBLV-VIFPVBQESA-N	-1	0	270.288	1.798	40	0		CDABRM
Cc1ccc([C@@H]2C(C(=O)[O-])=C(C)Nc3ncnn32)cc1	ZINC000020153994	356527714	/nfs/dbraw/zinc/52/77/14/356527714.db2.gz	PIQFASCVLGKQAV-GFCCVEGCSA-N	-1	0	270.292	1.960	40	0		CDABRM
CCOC(=O)C1=C([O-])c2cnc(Cl)nc2N(CC)C1	ZINC000034263600	356811636	/nfs/dbraw/zinc/81/16/36/356811636.db2.gz	NYWPQRUVAYSHPO-MRVPVSSYSA-N	-1	0	283.715	1.332	40	0		CDABRM
O=C([O-])CN1CC2(CCOCC2)Oc2ccccc2C1=O	ZINC000019374592	304067302	/nfs/dbraw/zinc/06/73/02/304067302.db2.gz	QSDRKMQOEMUKTD-UHFFFAOYSA-N	-1	0	291.303	1.155	40	0		CDABRM
CS(=O)(=O)c1cc(N)c(CCC(=O)[O-])c(Cl)c1	ZINC000199557231	358084703	/nfs/dbraw/zinc/08/47/03/358084703.db2.gz	MDZWYBZNIZBUKV-UHFFFAOYSA-N	-1	0	277.729	1.343	40	0		CDABRM
O=C([O-])CCn1ncc2ccc(Br)cc2c1=O	ZINC000095095835	366409886	/nfs/dbraw/zinc/40/98/86/366409886.db2.gz	ZUFXIHGEISDCPU-UHFFFAOYSA-N	-1	0	297.108	1.634	40	0		CDABRM
COc1ccccc1NC(=O)[C@H]1[C@H]2C=C[C@H](O2)[C@@H]1C(=O)[O-]	ZINC000004353929	358593862	/nfs/dbraw/zinc/59/38/62/358593862.db2.gz	RXUSSKXDZAVMFJ-VOAKCMCISA-N	-1	0	289.287	1.288	40	0		CDABRM
O=C([O-])c1ccc(S(=O)(=O)NCC2CCOCC2)cc1	ZINC000070543140	358965038	/nfs/dbraw/zinc/96/50/38/358965038.db2.gz	QSYJJORVHOWLRG-UHFFFAOYSA-N	-1	0	299.348	1.090	40	0		CDABRM
CCC[C@@H](C)Nc1ccc(C(=O)[O-])cc1S(N)(=O)=O	ZINC000217405164	358999529	/nfs/dbraw/zinc/99/95/29/358999529.db2.gz	BHBCMKSDQINRFD-MRVPVSSYSA-N	-1	0	286.353	1.633	40	0		CDABRM
COc1ccccc1/C=C/C(=O)N[C@H](C(=O)[O-])C(C)C	ZINC000033440834	359332718	/nfs/dbraw/zinc/33/27/18/359332718.db2.gz	WNBRHGFBFRNVGP-VFNNOXKTSA-N	-1	0	277.320	1.934	40	0		CDABRM
COc1ccc(C(=O)C[C@@H](C(=O)[O-])N2CCOCC2)cc1	ZINC000113689923	359420796	/nfs/dbraw/zinc/42/07/96/359420796.db2.gz	FFBGLSJMJQWPFQ-ZDUSSCGKSA-N	-1	0	293.319	1.053	40	0		CDABRM
O=C([O-])CCc1cnc(Cc2ccc(F)cc2)[nH]c1=O	ZINC000223446166	359426905	/nfs/dbraw/zinc/42/69/05/359426905.db2.gz	IVVAFLFXMCTASB-UHFFFAOYSA-N	-1	0	276.267	1.517	40	0		CDABRM
CSc1nc(CC(=O)[O-])cc(N2CCCCC2)n1	ZINC000225010338	359543696	/nfs/dbraw/zinc/54/36/96/359543696.db2.gz	JLEMVLHSXDKAGO-UHFFFAOYSA-N	-1	0	267.354	1.816	40	0		CDABRM
CCN(c1ccccc1C(=O)[O-])S(=O)(=O)N(C)C	ZINC000011804558	360321768	/nfs/dbraw/zinc/32/17/68/360321768.db2.gz	MCLFSINJAAHFCK-UHFFFAOYSA-N	-1	0	272.326	1.018	40	0		CDABRM
CCc1sc(C(=O)[N-]S(=O)(=O)C2COC2)cc1C	ZINC000408476417	361253609	/nfs/dbraw/zinc/25/36/09/361253609.db2.gz	LLAIGIPUQRZGPF-UHFFFAOYSA-N	-1	0	289.378	1.077	40	0		CDABRM
Cc1n[nH]c(SC(=Cc2ccc(N(C)C)o2)C(=O)[O-])n1	ZINC000409192003	363959748	/nfs/dbraw/zinc/95/97/48/363959748.db2.gz	SDHUQUVMHNNKSG-TWGQIWQCSA-N	-1	0	294.336	1.990	40	0		CDABRM
Cc1ccc(OCc2ncc(CC(=O)[O-])c(=O)[nH]2)c(C)c1	ZINC000217387931	189709934	/nfs/dbraw/zinc/70/99/34/189709934.db2.gz	OKIIEQWHJZQRQA-UHFFFAOYSA-N	-1	0	288.303	1.593	40	0		CDABRM
Cn1cc(CCCNC(=O)c2cccc(C(=O)[O-])c2)cn1	ZINC000225482677	189753609	/nfs/dbraw/zinc/75/36/09/189753609.db2.gz	UJZDRCRIJKSASC-UHFFFAOYSA-N	-1	0	287.319	1.481	40	0		CDABRM
CCCC[C@H](C)C(=O)[N-]S(=O)(=O)c1nnc(C)s1	ZINC000225725737	189763002	/nfs/dbraw/zinc/76/30/02/189763002.db2.gz	JHHVFNSOFLWDCN-ZETCQYMHSA-N	-1	0	291.398	1.478	40	0		CDABRM
O=C([O-])[C@@H]1[C@@H](C(=O)N2CCCCCC2)[C@H]2C=C[C@@H]1O2	ZINC000005224187	304155167	/nfs/dbraw/zinc/15/51/67/304155167.db2.gz	AIXKLNBEFCDSDD-RHYQMDGZSA-N	-1	0	265.309	1.043	40	0		CDABRM
O=C([O-])[C@@H]1[C@@H]2C=C[C@@H](CC2)[C@@H]1C(=O)NCc1ccccn1	ZINC000222441332	304155703	/nfs/dbraw/zinc/15/57/03/304155703.db2.gz	PHPVKNRANYSRPG-UZGDPCLZSA-N	-1	0	286.331	1.611	40	0		CDABRM
CCOc1ccc(CN2C(=O)CC[C@H]2C(=O)[O-])cc1	ZINC000011727233	374461890	/nfs/dbraw/zinc/46/18/90/374461890.db2.gz	URESKMFVJDSTOY-LBPRGKRZSA-N	-1	0	263.293	1.661	40	0		CDABRM
O=C([O-])C[C@@H]1COCCN1C(=O)OCc1ccccc1	ZINC000002527108	375191744	/nfs/dbraw/zinc/19/17/44/375191744.db2.gz	LPLJSOYTOLXMBJ-GFCCVEGCSA-N	-1	0	279.292	1.499	40	0		CDABRM
O=C([O-])Cn1cccc(C(=O)Nc2ccc(F)cc2)c1=O	ZINC000257197655	190010206	/nfs/dbraw/zinc/01/02/06/190010206.db2.gz	FUIBQWXOFUWHCG-UHFFFAOYSA-N	-1	0	290.250	1.324	40	0		CDABRM
COC(=O)c1csc(C23CC(C(=O)[O-])(C2)C3)n1	ZINC000258837459	190038382	/nfs/dbraw/zinc/03/83/82/190038382.db2.gz	SAKLNOFLETUPPU-UHFFFAOYSA-N	-1	0	253.279	1.436	40	0		CDABRM
CCC[C@H](C)c1cc(=NC(=O)[C@H](C)C(=O)[O-])[nH][nH]1	ZINC000574572506	295020818	/nfs/dbraw/zinc/02/08/18/295020818.db2.gz	XUCGQNYRESTRDQ-YUMQZZPRSA-N	-1	0	253.302	1.394	40	0		CDABRM
O=C([O-])[C@H]1C[C@@H]1C(=O)N1CCCc2sccc2C1	ZINC000225482772	304203115	/nfs/dbraw/zinc/20/31/15/304203115.db2.gz	VVMGFHYCVPUMOV-UWVGGRQHSA-N	-1	0	265.334	1.744	40	0		CDABRM
COc1ccccc1[C@H]1N[C@H](C(=O)[O-])Cc2[nH]cnc21	ZINC000005817973	378215298	/nfs/dbraw/zinc/21/52/98/378215298.db2.gz	BLUBUPXNKWMIDX-CMPLNLGQSA-N	-1	0	273.292	1.107	40	0		CDABRM
Cc1c(OCC(=O)[O-])c(=O)ccn1CCC(C)C	ZINC000041127978	379336589	/nfs/dbraw/zinc/33/65/89/379336589.db2.gz	DCAZKYZGYWUZTH-UHFFFAOYSA-N	-1	0	253.298	1.666	40	0		CDABRM
O=C([O-])c1ccc(N2C(=O)CCC2=O)c(Cl)c1	ZINC000071392980	304245871	/nfs/dbraw/zinc/24/58/71/304245871.db2.gz	MHBOOGWYHPQWIR-UHFFFAOYSA-N	-1	0	253.641	1.692	40	0		CDABRM
COc1ccc(-n2c(=O)c(CC(=O)[O-])c[nH]c2=S)cc1	ZINC000020156346	256784065	/nfs/dbraw/zinc/78/40/65/256784065.db2.gz	ROKADAQPEFPHAD-UHFFFAOYSA-N	-1	0	292.316	1.531	40	0		CDABRM
Cc1n[nH]c(C)c1CCC(=O)N1CCC(C(=O)[O-])CC1	ZINC000096517444	390532631	/nfs/dbraw/zinc/53/26/31/390532631.db2.gz	JYRMZFIMDZAKEA-UHFFFAOYSA-N	-1	0	279.340	1.282	40	0		CDABRM
Cc1nc2c(c(-n3ccc(C(=O)[O-])n3)n1)CCCC2	ZINC000096517407	390533343	/nfs/dbraw/zinc/53/33/43/390533343.db2.gz	HOUZEDXKIOVHQH-UHFFFAOYSA-N	-1	0	258.281	1.548	40	0		CDABRM
Cc1nc(-n2ccc(C(=O)[O-])n2)cc(C(F)(F)F)n1	ZINC000096517405	390533396	/nfs/dbraw/zinc/53/33/96/390533396.db2.gz	YZCSCWNISNLEDU-UHFFFAOYSA-N	-1	0	272.186	1.688	40	0		CDABRM
O=C([O-])c1ncccc1S(=O)(=O)C(F)(F)F	ZINC000242464118	393130114	/nfs/dbraw/zinc/13/01/14/393130114.db2.gz	DWHSGGMBKYMDHD-UHFFFAOYSA-N	-1	0	255.173	1.073	40	0		CDABRM
COC(=O)c1ccc([O-])c(I)n1	ZINC000068675264	292013965	/nfs/dbraw/zinc/01/39/65/292013965.db2.gz	HZDLQMATQQHPQS-UHFFFAOYSA-N	-1	0	279.033	1.178	40	0		CDABRM
CCOC(=O)c1ccc(N(C=O)CCC(=O)[O-])cc1	ZINC000001708312	169746912	/nfs/dbraw/zinc/74/69/12/169746912.db2.gz	XHBLKCDWXBAXCN-UHFFFAOYSA-N	-1	0	265.265	1.301	40	0		CDABRM
COc1ccc(C[C@@H](CC(=O)[O-])NC(C)=O)cc1	ZINC000005663078	170125040	/nfs/dbraw/zinc/12/50/40/170125040.db2.gz	ZJWTZHQSPGWTDN-NSHDSACASA-N	-1	0	251.282	1.217	40	0		CDABRM
O=C([O-])Sc1nnc(CCCO)n1-c1ccccc1	ZINC000008306519	170329955	/nfs/dbraw/zinc/32/99/55/170329955.db2.gz	DNUJHKHDVCFLJE-UHFFFAOYSA-N	-1	0	279.321	1.962	40	0		CDABRM
Cn1cc(C(=O)[O-])c(C(=O)NCCc2ccccc2)n1	ZINC000012357997	170478993	/nfs/dbraw/zinc/47/89/93/170478993.db2.gz	CLFSGTIZFDGSDZ-UHFFFAOYSA-N	-1	0	273.292	1.091	40	0		CDABRM
CCCC(=O)NC(=S)Nc1ccc(O)c(C(=O)[O-])c1	ZINC000020151273	171037820	/nfs/dbraw/zinc/03/78/20/171037820.db2.gz	DNSKUSOVDWYGPB-UHFFFAOYSA-N	-1	0	282.321	1.704	40	0		CDABRM
CC(C)(C)c1ccc(C(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])cc1	ZINC000021969332	171344479	/nfs/dbraw/zinc/34/44/79/171344479.db2.gz	WFXBCSPJGADDFD-CHWSQXEVSA-N	-1	0	291.347	1.644	40	0		CDABRM
CCOC(=O)[C@H](CC(=O)c1ccccc1)N[C@@H](C)C(=O)[O-]	ZINC000022008169	171348554	/nfs/dbraw/zinc/34/85/54/171348554.db2.gz	MIWASTFMKCDKFB-JQWIXIFHSA-N	-1	0	293.319	1.254	40	0		CDABRM
CCOC(=O)[C@@H](CC(=O)c1ccccc1)N[C@@H](C)C(=O)[O-]	ZINC000022008164	171348900	/nfs/dbraw/zinc/34/89/00/171348900.db2.gz	MIWASTFMKCDKFB-CMPLNLGQSA-N	-1	0	293.319	1.254	40	0		CDABRM
CCN1C(=O)C[C@H](C(=O)[O-])[C@H]1c1ccc(OC)cc1	ZINC000022129941	171354762	/nfs/dbraw/zinc/35/47/62/171354762.db2.gz	KWBZJFGNEJPPKS-WCQYABFASA-N	-1	0	263.293	1.689	40	0		CDABRM
CCCCNS(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1	ZINC000037311077	173113481	/nfs/dbraw/zinc/11/34/81/173113481.db2.gz	IELFOAVCROJYMF-UHFFFAOYSA-N	-1	0	287.337	1.472	40	0		CDABRM
O=C([O-])[C@@H]1CC(=O)N(c2ccccc2OC(F)F)C1	ZINC000037328043	173128839	/nfs/dbraw/zinc/12/88/39/173128839.db2.gz	ZRWYMPIDEGENGO-SSDOTTSWSA-N	-1	0	271.219	1.726	40	0		CDABRM
CCOC(=O)C1=NN(c2ccc(C)c(C)c2)[C@H](C(=O)[O-])C1	ZINC000071979289	176307691	/nfs/dbraw/zinc/30/76/91/176307691.db2.gz	BGISSHQGMVHMOW-ZDUSSCGKSA-N	-1	0	290.319	1.886	40	0		CDABRM
CCn1ccc([N-]S(=O)(=O)c2c(C)nn(CC)c2C)n1	ZINC000072239044	176347062	/nfs/dbraw/zinc/34/70/62/176347062.db2.gz	GYLWBEVTXGVAGW-UHFFFAOYSA-N	-1	0	297.384	1.537	40	0		CDABRM
COc1ccccc1[C@@H]1[C@H](C(=O)[O-])CC(=O)N1C1CC1	ZINC000045922800	295395919	/nfs/dbraw/zinc/39/59/19/295395919.db2.gz	MNOSNVZQVKLBBU-BXUZGUMPSA-N	-1	0	275.304	1.832	40	0		CDABRM
C[C@H]1CC[C@@H]2C(C)(C)C[C@@](C)(CO)[C@]2(O)[C@@H]1C(=O)[O-]	ZINC000077257429	300046215	/nfs/dbraw/zinc/04/62/15/300046215.db2.gz	CAKZQSFFOAEEET-NCSKVMEWSA-N	-1	0	270.369	1.893	40	0	biogenic,in-vitro	CDABRM
Cc1cc(C)n(C(=O)[C@@H]2[C@@H](C(=O)[O-])[C@H]3CC[C@@H]2O3)n1	ZINC000016990715	301236113	/nfs/dbraw/zinc/23/61/13/301236113.db2.gz	AOFJPWBHGXBNTE-VLEAKVRGSA-N	-1	0	264.281	1.018	40	0		CDABRM
Cn1cnc2c1[C@@H](C(=O)[O-])N(C(=O)c1ccccc1)CC2	ZINC000106793475	303023035	/nfs/dbraw/zinc/02/30/35/303023035.db2.gz	MCVWSQNEEJFVKE-ZDUSSCGKSA-N	-1	0	285.303	1.244	40	0		CDABRM
CCOC(=O)C1=C([O-])c2cc(OC)c(OC)cc2C1	ZINC000071618209	327105001	/nfs/dbraw/zinc/10/50/01/327105001.db2.gz	MHNGDAMDDQGRJJ-SNVBAGLBSA-N	-1	0	264.277	1.622	40	0		CDABRM
CCn1ccc([N-]S(=O)(=O)c2ccc(OC)cc2)n1	ZINC000014248895	366140971	/nfs/dbraw/zinc/14/09/71/366140971.db2.gz	OSAAZUVZJHWQAC-UHFFFAOYSA-N	-1	0	281.337	1.712	40	0		CDABRM
O=C([O-])CNC(=O)CN1CCC[C@@H]1Cc1cccc(F)c1	ZINC000225568478	358493306	/nfs/dbraw/zinc/49/33/06/358493306.db2.gz	RNEGSJDYJSUOCP-CYBMUJFWSA-N	-1	0	294.326	1.033	40	0		CDABRM
O=C([O-])CCSCCCN1C(=O)c2ccccc2C1=O	ZINC000001618816	355942241	/nfs/dbraw/zinc/94/22/41/355942241.db2.gz	HLTKJLWZQPFPON-UHFFFAOYSA-N	-1	0	293.344	1.881	40	0		CDABRM
O=C([O-])[C@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)NCCCn1ccnc1	ZINC000035874683	356052706	/nfs/dbraw/zinc/05/27/06/356052706.db2.gz	QHIQFAKVHWJIMJ-VOAKCMCISA-N	-1	0	291.351	1.136	40	0		CDABRM
CC[C@H](C)NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1	ZINC000013073626	356336952	/nfs/dbraw/zinc/33/69/52/356336952.db2.gz	LJMXGSOXXVIIBX-ZETCQYMHSA-N	-1	0	275.301	1.601	40	0		CDABRM
CCCN(CCC)C(=O)[C@H]1[C@@H](C(=O)[O-])[C@H]2CC[C@@H]1O2	ZINC000016991603	283206850	/nfs/dbraw/zinc/20/68/50/283206850.db2.gz	CBLLLOOLSCFRGH-QCNOEVLYSA-N	-1	0	269.341	1.513	40	0		CDABRM
CN(CC(=O)[O-])Cc1ccccc1Br	ZINC000035084278	356842823	/nfs/dbraw/zinc/84/28/23/356842823.db2.gz	PDVPHOGXBLLFTH-UHFFFAOYSA-N	-1	0	258.115	1.966	40	0		CDABRM
CCOc1ccccc1C[C@@H](C(=O)[O-])N1CCOCC1	ZINC000041433962	357036483	/nfs/dbraw/zinc/03/64/83/357036483.db2.gz	TUPHESATIBXWSC-ZDUSSCGKSA-N	-1	0	279.336	1.413	40	0		CDABRM
Cc1nc2c(c(N3CCC[C@H](C(=O)[O-])C3)n1)CCCC2	ZINC000096516882	357522188	/nfs/dbraw/zinc/52/21/88/357522188.db2.gz	XWUIANZGTUCCCR-NSHDSACASA-N	-1	0	275.352	1.965	40	0		CDABRM
CN1CC[NH+](CCCOc2cccc(C(=O)[O-])c2)CC1	ZINC000019798120	358143312	/nfs/dbraw/zinc/14/33/12/358143312.db2.gz	WOQVZMIMRZPUAV-UHFFFAOYSA-N	-1	0	278.352	1.401	40	0		CDABRM
Cc1nn(-c2ccc(Cl)c(C)n2)nc1C(=O)[O-]	ZINC000089261948	358399763	/nfs/dbraw/zinc/39/97/63/358399763.db2.gz	NDBUABMPFUYAIL-UHFFFAOYSA-N	-1	0	252.661	1.631	40	0		CDABRM
COC(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)[O-]	ZINC000096295485	358731814	/nfs/dbraw/zinc/73/18/14/358731814.db2.gz	UUKALFPYCSEDEX-LLVKDONJSA-N	-1	0	281.308	1.791	40	0		CDABRM
O=C(Nc1ccccc1)c1c([O-])[nH]c(=S)[nH]c1=O	ZINC000100473964	358830968	/nfs/dbraw/zinc/83/09/68/358830968.db2.gz	GFYRZTLCYQQVHZ-UHFFFAOYSA-N	-1	0	263.278	1.390	40	0		CDABRM
NS(=O)(=O)c1cc(C(=O)[O-])ccc1NC1CCCC1	ZINC000217402982	358998883	/nfs/dbraw/zinc/99/88/83/358998883.db2.gz	XSPPTYQYYGBLDI-UHFFFAOYSA-N	-1	0	284.337	1.387	40	0		CDABRM
CS(=O)(=O)[C@@H]1[C@@H](c2cccc(Cl)c2)[C@H]1C(=O)[O-]	ZINC000218352842	359051461	/nfs/dbraw/zinc/05/14/61/359051461.db2.gz	NMSBOUCCONIQTC-IVZWLZJFSA-N	-1	0	274.725	1.551	40	0		CDABRM
O=C([O-])C[N@@H+]1CCCN(C(=O)OCc2ccccc2)CC1	ZINC000061125951	359829227	/nfs/dbraw/zinc/82/92/27/359829227.db2.gz	GZZVDIYNYSHIJZ-UHFFFAOYSA-N	-1	0	292.335	1.416	40	0		CDABRM
Cc1nonc1[N-]S(=O)(=O)c1cccc(Cl)c1	ZINC000137266088	364546216	/nfs/dbraw/zinc/54/62/16/364546216.db2.gz	CQAZCRIIGKLCOV-UHFFFAOYSA-N	-1	0	273.701	1.832	40	0		CDABRM
CCOc1cc(CO)cc(Cl)c1OCC(=O)[O-]	ZINC000004364690	364802640	/nfs/dbraw/zinc/80/26/40/364802640.db2.gz	QJEVOWAPZMGYED-UHFFFAOYSA-N	-1	0	260.673	1.694	40	0		CDABRM
O=C([O-])c1cccn(CCc2ccc(F)cc2)c1=O	ZINC000049848663	370285529	/nfs/dbraw/zinc/28/55/29/370285529.db2.gz	KLFXUIZSXRPYIP-UHFFFAOYSA-N	-1	0	261.252	1.928	40	0		CDABRM
Cc1ccc(NC(=O)C[C@@H](C(=O)[O-])N2CCOCC2)cc1	ZINC000003881024	373298317	/nfs/dbraw/zinc/29/83/17/373298317.db2.gz	PUOQADNOYRVXPS-ZDUSSCGKSA-N	-1	0	292.335	1.109	40	0		CDABRM
O=C([O-])[C@H]1CCCN(c2ncnc3c2CCCC3)C1	ZINC000094871396	304184651	/nfs/dbraw/zinc/18/46/51/304184651.db2.gz	XELUEZLSHQZVTI-JTQLQIEISA-N	-1	0	261.325	1.656	40	0		CDABRM
O=C([O-])[C@H]1Cc2[nH]cnc2[C@H](c2ccccc2Cl)N1	ZINC000005728969	304205743	/nfs/dbraw/zinc/20/57/43/304205743.db2.gz	VPFAMVMZJHWLJH-MNOVXSKESA-N	-1	0	277.711	1.751	40	0		CDABRM
C[C@@H]1CCCN(C(=O)[C@@H]2CCCOC2)[C@H]1C(=O)[O-]	ZINC000300274184	296374821	/nfs/dbraw/zinc/37/48/21/296374821.db2.gz	RIAWKBOUZWNOPG-GMTAPVOTSA-N	-1	0	255.314	1.125	40	0		CDABRM
Cc1ccc(NC(=O)Cc2sc3ncnn3c2[O-])cc1	ZINC000000556276	169667496	/nfs/dbraw/zinc/66/74/96/169667496.db2.gz	FTDSSJAKTWIZPG-SNVBAGLBSA-N	-1	0	288.332	1.730	40	0		CDABRM
O=C([O-])[C@@H]1CCN(c2cc3c(nn2)CCCCC3)C1	ZINC000096516139	390533987	/nfs/dbraw/zinc/53/39/87/390533987.db2.gz	KIOQXTXPGFMETJ-LLVKDONJSA-N	-1	0	261.325	1.656	40	0		CDABRM
CCS(=O)(=O)C1(c2nc(CC(=O)[O-])cs2)CCC1	ZINC000096531976	390541625	/nfs/dbraw/zinc/54/16/25/390541625.db2.gz	QYWOYXSKELCTIT-UHFFFAOYSA-N	-1	0	289.378	1.584	40	0		CDABRM
Cc1nonc1Cc1nc2ccccc2n1CC(=O)[O-]	ZINC000072210215	390618350	/nfs/dbraw/zinc/61/83/50/390618350.db2.gz	ZFJHLZPPJQIAHG-UHFFFAOYSA-N	-1	0	272.264	1.403	40	0		CDABRM
COc1cccc(OCC(=O)N[C@H](C(=O)[O-])C(C)C)c1	ZINC000003204733	169867935	/nfs/dbraw/zinc/86/79/35/169867935.db2.gz	NGQNSPKGCWRPFR-ZDUSSCGKSA-N	-1	0	281.308	1.299	40	0		CDABRM
CCSc1nnc(NC(=O)CCC(=O)[O-])s1	ZINC000006048825	170172011	/nfs/dbraw/zinc/17/20/11/170172011.db2.gz	DRJBFRKWCZEVGH-UHFFFAOYSA-N	-1	0	261.328	1.453	40	0		CDABRM
CC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C)on2)c1	ZINC000007422868	170283898	/nfs/dbraw/zinc/28/38/98/170283898.db2.gz	CMHAZEPBPKSACO-UHFFFAOYSA-N	-1	0	280.305	1.986	40	0		CDABRM
Cc1cccc(NC(=O)c2snc3c2[n-]cnc3=O)c1	ZINC000008578935	170341721	/nfs/dbraw/zinc/34/17/21/170341721.db2.gz	ZBNUTZPFSZMFFF-UHFFFAOYSA-N	-1	0	286.316	1.940	40	0		CDABRM
CC(=O)c1ccc(NC(=O)NCCC(=O)[O-])cc1	ZINC000019980593	170958952	/nfs/dbraw/zinc/95/89/52/170958952.db2.gz	PAGRVGYNYBAQSA-UHFFFAOYSA-N	-1	0	250.254	1.485	40	0		CDABRM
CCOC(=O)C=C(C)N[C@H](C(=O)[O-])c1ccccc1	ZINC000022001403	171348190	/nfs/dbraw/zinc/34/81/90/171348190.db2.gz	SDGOHFKMDLYFMZ-LXKVQUBZSA-N	-1	0	263.293	1.869	40	0	in-vitro	CDABRM
CO[C@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)[O-]	ZINC000034171366	171833650	/nfs/dbraw/zinc/83/36/50/171833650.db2.gz	QUMPTEMSGZOMGE-MWLCHTKSSA-N	-1	0	267.281	1.401	40	0		CDABRM
CCCS(=O)(=O)[N-]c1nc2ccccc2s1	ZINC000045929314	175387563	/nfs/dbraw/zinc/38/75/63/175387563.db2.gz	KQTKRFCOUMCFCH-UHFFFAOYSA-N	-1	0	256.352	1.870	40	0		CDABRM
CC(=O)N1CC[C@@]1(CCCc1cccnc1)C(=O)[O-]	ZINC000072344351	176373269	/nfs/dbraw/zinc/37/32/69/176373269.db2.gz	IPLZUZLRMZQDOP-AWEZNQCLSA-N	-1	0	262.309	1.480	40	0		CDABRM
CCCc1nn2c([n-]1)nc(Cc1ccccc1)cc2=O	ZINC000014164040	261784782	/nfs/dbraw/zinc/78/47/82/261784782.db2.gz	HBTLYNWOGCEFJP-UHFFFAOYSA-N	-1	0	268.320	1.961	40	0		CDABRM
CC(C)[C@H]1CCC(CO)=C[C@@H]1/C=C(\CO)C(=O)[O-]	ZINC000015257890	280364069	/nfs/dbraw/zinc/36/40/69/280364069.db2.gz	SLVSUVFUFJKMCV-URFGDBDFSA-N	-1	0	254.326	1.591	40	0	biogenic,in-vitro	CDABRM
COC[C@H](C)CC(=O)N1CCC[C@H](C)[C@H]1C(=O)[O-]	ZINC000300272429	292997033	/nfs/dbraw/zinc/99/70/33/292997033.db2.gz	LYKVTJSMDHROCZ-SCVCMEIPSA-N	-1	0	257.330	1.371	40	0		CDABRM
COc1ccc2c(c1)C[C@]1(CCC(=O)[C@H](C(=O)[O-])C1)C2=O	ZINC000003851976	295263015	/nfs/dbraw/zinc/26/30/15/295263015.db2.gz	GZDUYUVOVVAPFU-WBMJQRKESA-N	-1	0	288.299	1.874	40	0		CDABRM
COc1cccc(-n2c(C)c(C(=O)[O-])cnc2=O)c1	ZINC000217677099	295280862	/nfs/dbraw/zinc/28/08/62/295280862.db2.gz	PXPJYFAYTOEITP-UHFFFAOYSA-N	-1	0	260.249	1.248	40	0		CDABRM
O=C([O-])[C@H]1CCN(C(=O)[C@@H]2CCOC2)c2ccccc21	ZINC000167132084	482885599	/nfs/dbraw/zinc/88/55/99/482885599.db2.gz	QOKGYYOYDGKUFZ-PWSUYJOCSA-N	-1	0	275.304	1.628	40	0		CDABRM
O=C([O-])[C@@H]1CC[C@@H](C(=O)NCCCC(F)(F)F)O1	ZINC000222763157	534522810	/nfs/dbraw/zinc/52/28/10/534522810.db2.gz	JMOGLGWDVHGOHP-BQBZGAKWSA-N	-1	0	269.219	1.077	40	0		CDABRM
O=C([O-])[C@@H]1CS[C@H](Cc2ccc(F)c(F)c2)C(=O)N1	ZINC000062712322	526289388	/nfs/dbraw/zinc/28/93/88/526289388.db2.gz	LQKHGTVMZZNSIK-VHSXEESVSA-N	-1	0	287.287	1.192	40	0		CDABRM
O=C([O-])c1ccc(F)c(NC(=O)[C@H]2CCCOC2)c1	ZINC000054768550	599745048	/nfs/dbraw/zinc/74/50/48/599745048.db2.gz	JXGDUKFJVWQYBX-VIFPVBQESA-N	-1	0	267.256	1.889	40	0		CDABRM
CCCOc1ccc([C@@H]2CNC(=O)[C@@H]2C(=O)[O-])cc1	ZINC000256049530	350908930	/nfs/dbraw/zinc/90/89/30/350908930.db2.gz	AIRCNCNQAXXEQT-NWDGAFQWSA-N	-1	0	263.293	1.390	40	0		CDABRM
O=C([O-])C1=Nc2ncnn2[C@H](c2c[nH]c3ccccc32)C1	ZINC000102278212	304035551	/nfs/dbraw/zinc/03/55/51/304035551.db2.gz	FVCRXLNOEPMMLT-LBPRGKRZSA-N	-1	0	281.275	1.743	40	0		CDABRM
CCCCC[C@@H](C)NC(=O)[C@@H]1[C@@H](C(=O)[O-])[C@H]2C=C[C@@H]1O2	ZINC000002486376	355970873	/nfs/dbraw/zinc/97/08/73/355970873.db2.gz	QQPSTRPSJRTBSS-FHUSYTEZSA-N	-1	0	281.352	1.726	40	0		CDABRM
CCNC(=S)[N-]S(=O)(=O)c1ccc(Cl)s1	ZINC000004538167	356034521	/nfs/dbraw/zinc/03/45/21/356034521.db2.gz	PCMJCKXNPOWRRR-UHFFFAOYSA-N	-1	0	284.815	1.574	40	0		CDABRM
O=C([O-])[C@](CO)(Cc1ccccc1)NC(=O)c1ccccc1	ZINC000004283091	356025188	/nfs/dbraw/zinc/02/51/88/356025188.db2.gz	LKEOXPPWIMAHCM-QGZVFWFLSA-N	-1	0	299.326	1.475	40	0		CDABRM
Cn1c2ccccc2nc1-c1ccc(S(=O)(=O)[O-])o1	ZINC000006130256	356068331	/nfs/dbraw/zinc/06/83/31/356068331.db2.gz	SRSLUNBLQGBYSD-UHFFFAOYSA-O	-1	0	279.297	1.499	40	0		CDABRM
CC(C)Cn1nccc1[C@H]1CCCN1CC(=O)[O-]	ZINC000012397319	356680718	/nfs/dbraw/zinc/68/07/18/356680718.db2.gz	FELJHWZHNWPRCK-LLVKDONJSA-N	-1	0	251.330	1.761	40	0		CDABRM
CCOC(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)[O-]	ZINC000026898155	356701123	/nfs/dbraw/zinc/70/11/23/356701123.db2.gz	BHOJIKSQYLVZHD-IUCAKERBSA-N	-1	0	287.312	1.117	40	0		CDABRM
CCOc1ccc(-c2ncc(CC(=O)[O-])c(=O)[nH]2)cc1	ZINC000049468583	357217579	/nfs/dbraw/zinc/21/75/79/357217579.db2.gz	WTAUWGYWNFNGSL-UHFFFAOYSA-N	-1	0	274.276	1.463	40	0		CDABRM
CC(C)(C)OC(=O)N[C@H](CCn1ccnc1)C(=O)[O-]	ZINC000199555850	358084222	/nfs/dbraw/zinc/08/42/22/358084222.db2.gz	QAHLADCBKOUMLZ-SECBINFHSA-N	-1	0	269.301	1.251	40	0		CDABRM
C[C@@H](NC(=O)[C@H]1C2CCC(CC2)[C@@H]1C(=O)[O-])[C@@H]1CCCO1	ZINC000013320399	366454598	/nfs/dbraw/zinc/45/45/98/366454598.db2.gz	AFIMWANBPBCXET-QUXOSGDXSA-N	-1	0	295.379	1.807	40	0		CDABRM
O=C([O-])[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C(=O)NCc1ccncc1	ZINC000013320687	366455160	/nfs/dbraw/zinc/45/51/60/366455160.db2.gz	KOGIDHMJCULLSY-RNJOBUHISA-N	-1	0	274.320	1.445	40	0		CDABRM
CC(=O)N[C@H](C(=O)[O-])[C@@H](O)c1ccc(C(F)(F)F)cc1	ZINC000091690079	358522109	/nfs/dbraw/zinc/52/21/09/358522109.db2.gz	SQXUUGMKDYJLIC-UWVGGRQHSA-N	-1	0	291.225	1.328	40	0		CDABRM
CCCNc1ccc(S(=O)(=O)NCC)cc1C(=O)[O-]	ZINC000217537712	359007924	/nfs/dbraw/zinc/00/79/24/359007924.db2.gz	RHWSBJLSZNGMNC-UHFFFAOYSA-N	-1	0	286.353	1.505	40	0		CDABRM
Cc1cnc(N2CCC[C@@H](C(=O)[O-])C2)nc1Cl	ZINC000072203188	359048383	/nfs/dbraw/zinc/04/83/83/359048383.db2.gz	IOGSPTLIHVHGGU-MRVPVSSYSA-N	-1	0	255.705	1.739	40	0		CDABRM
O=C([N-]S(=O)(=O)c1ccccc1)c1ccc(F)cc1	ZINC000000267734	361655903	/nfs/dbraw/zinc/65/59/03/361655903.db2.gz	DGTNRALGEPGIBF-UHFFFAOYSA-N	-1	0	279.292	1.944	40	0		CDABRM
COc1cccc([C@H](C(=O)[O-])N2CCOCC2)c1	ZINC000016718828	366895241	/nfs/dbraw/zinc/89/52/41/366895241.db2.gz	CBOROWIBSMZHAW-GFCCVEGCSA-N	-1	0	251.282	1.153	40	0		CDABRM
O=C(Cc1csc([N-]c2ncccn2)n1)N1CCCC1	ZINC000049029376	373981555	/nfs/dbraw/zinc/98/15/55/373981555.db2.gz	LPNPEYLXBUMKEV-UHFFFAOYSA-N	-1	0	289.364	1.842	40	0		CDABRM
Cc1nn(CC(=O)N2CCC[C@H](C(=O)[O-])C2)c(C)c1Cl	ZINC000225445887	374409607	/nfs/dbraw/zinc/40/96/07/374409607.db2.gz	JYRJCLUSHJWLBH-JTQLQIEISA-N	-1	0	299.758	1.477	40	0		CDABRM
CCC(=O)[N-]S(=O)(=O)c1cn(C)c2ccccc12	ZINC000225472727	374480666	/nfs/dbraw/zinc/48/06/66/374480666.db2.gz	RMRKEIJVEAPANV-UHFFFAOYSA-N	-1	0	266.322	1.393	40	0		CDABRM
COc1ccc(S(=O)(=O)[N-]c2nc(C)c(C)s2)cc1	ZINC000028248532	375219921	/nfs/dbraw/zinc/21/99/21/375219921.db2.gz	GTTWJHRGDRGJQZ-UHFFFAOYSA-N	-1	0	298.389	1.991	40	0		CDABRM
COc1ccc([C@@H](CC(=O)[O-])CC(=O)NC2CC2)cc1	ZINC000057573879	375533298	/nfs/dbraw/zinc/53/32/98/375533298.db2.gz	XRJQYXSFKMXMET-LLVKDONJSA-N	-1	0	277.320	1.922	40	0		CDABRM
CCS(=O)(=O)[C@H]1[C@@H](c2ccc(C)cc2)[C@H]1C(=O)[O-]	ZINC000218351424	375817818	/nfs/dbraw/zinc/81/78/18/375817818.db2.gz	YTNBYGLMXBSEAY-TUAOUCFPSA-N	-1	0	268.334	1.596	40	0		CDABRM
CN(C)c1ncc([N-]S(=O)(=O)c2ccc(F)cc2)cn1	ZINC000133970182	375872308	/nfs/dbraw/zinc/87/23/08/375872308.db2.gz	GKWNNRPLVKTSSA-UHFFFAOYSA-N	-1	0	296.327	1.483	40	0		CDABRM
CCOc1cc2c(=O)ccn(CC(=O)[O-])c2cc1OCC	ZINC000053994690	376721223	/nfs/dbraw/zinc/72/12/23/376721223.db2.gz	HLYQXBNBQWKJRQ-UHFFFAOYSA-N	-1	0	291.303	1.884	40	0		CDABRM
CCn1nc(C)c(S(=O)(=O)[N-]c2cccc(O)c2)c1F	ZINC000252484187	377291192	/nfs/dbraw/zinc/29/11/92/377291192.db2.gz	FQRYPDYLGMXHSB-UHFFFAOYSA-N	-1	0	299.327	1.857	40	0		CDABRM
O=C([O-])[C@H]1[C@@H](C(=O)Nc2ccccc2Cl)[C@H]2C=C[C@@H]1O2	ZINC000225644978	304209781	/nfs/dbraw/zinc/20/97/81/304209781.db2.gz	ZMVQYLUXIYDAKS-NOOOWODRSA-N	-1	0	293.706	1.933	40	0		CDABRM
O=C1[N-]C(=O)/C(=C\c2ccc(Br)s2)N1	ZINC000059245282	296356345	/nfs/dbraw/zinc/35/63/45/296356345.db2.gz	MQCYENFKVABPNZ-HWKANZROSA-N	-1	0	273.111	1.691	40	0		CDABRM
CC(C)C[C@]1(C)OC[C@@H]([C@H]2OC(=O)C(O)=C2[O-])O1	ZINC000103761785	256801032	/nfs/dbraw/zinc/80/10/32/256801032.db2.gz	FCMBQTJMQJMBOC-HNBZJPLGSA-N	-1	0	258.270	1.417	40	0		CDABRM
CCOc1ccc([C@H](C)n2cc(C(=O)[O-])nn2)cc1	ZINC000096510230	390530889	/nfs/dbraw/zinc/53/08/89/390530889.db2.gz	DHWGKPARCJKVCO-VIFPVBQESA-N	-1	0	261.281	1.984	40	0		CDABRM
CCc1nc(OCC(F)(F)F)cc(C(=O)[O-])n1	ZINC000096524185	390536413	/nfs/dbraw/zinc/53/64/13/390536413.db2.gz	SOJSGLKPYJOSBN-UHFFFAOYSA-N	-1	0	250.176	1.678	40	0		CDABRM
CC(C)CCn1nc2c(cc1=O)C[C@H](C(=O)[O-])CC2	ZINC000096531430	390541608	/nfs/dbraw/zinc/54/16/08/390541608.db2.gz	ZBPWIEWYHZXMFN-SNVBAGLBSA-N	-1	0	264.325	1.479	40	0		CDABRM
CS(=O)(=O)C1(c2ncc(C(=O)[O-])s2)CCC1	ZINC000096531965	390542110	/nfs/dbraw/zinc/54/21/10/390542110.db2.gz	ATUWBOXSGRNGAN-UHFFFAOYSA-N	-1	0	261.324	1.265	40	0		CDABRM
CCCS(=O)(=O)N[C@H](Cc1ccccc1)C(=O)[O-]	ZINC000011891168	390916086	/nfs/dbraw/zinc/91/60/86/390916086.db2.gz	QCQKUGHOSHIHHF-LLVKDONJSA-N	-1	0	271.338	1.012	40	0		CDABRM
CCc1ccc(S(=O)(=O)N[C@H](C)C(=O)[O-])cc1	ZINC000005471421	170102424	/nfs/dbraw/zinc/10/24/24/170102424.db2.gz	NBFSHENYNSDBPC-MRVPVSSYSA-N	-1	0	257.311	1.000	40	0		CDABRM
CC[C@H]1C=CC[C@@H]2C(=O)N(CCCC(=O)[O-])C(=O)[C@@H]21	ZINC000006542188	170211871	/nfs/dbraw/zinc/21/18/71/170211871.db2.gz	SLAQTBMRVJUFIJ-JBLDHEPKSA-N	-1	0	265.309	1.439	40	0		CDABRM
CC(C)OC(=O)c1ccc(N2C[C@@H](C(=O)[O-])CC2=O)cc1	ZINC000007881350	170305932	/nfs/dbraw/zinc/30/59/32/170305932.db2.gz	SHBHVVPJKXHFNF-NSHDSACASA-N	-1	0	291.303	1.689	40	0		CDABRM
O=C([O-])Cc1cccc(-c2nn3cnnc3s2)c1	ZINC000041126857	174489618	/nfs/dbraw/zinc/48/96/18/174489618.db2.gz	PTRIBQWVEKDUQG-UHFFFAOYSA-N	-1	0	260.278	1.480	40	0		CDABRM
C[C@@H](CNC(=O)C1(c2ccc(F)cc2)CC1)C(=O)[O-]	ZINC000054309852	175557103	/nfs/dbraw/zinc/55/71/03/175557103.db2.gz	TXEFABKYFIVNPF-VIFPVBQESA-N	-1	0	265.284	1.694	40	0		CDABRM
COc1ccc(OC)c(N2CCN(CC(=O)[O-])C2=O)c1	ZINC000076475081	177025470	/nfs/dbraw/zinc/02/54/70/177025470.db2.gz	RTBSVDZOETYXQL-UHFFFAOYSA-N	-1	0	280.280	1.030	40	0		CDABRM
O=C1[N-]C(=O)/C(=C/c2cccc(Br)c2)N1	ZINC000016386114	262025083	/nfs/dbraw/zinc/02/50/83/262025083.db2.gz	CFJZPYYYXHXWSB-YVMONPNESA-N	-1	0	267.082	1.629	40	0	in-vitro	CDABRM
CNC(=O)C1(C(=O)Nc2ccc(C(=O)[O-])cc2)CCC1	ZINC000675954786	483386153	/nfs/dbraw/zinc/38/61/53/483386153.db2.gz	YGSALHHGFIVGBR-UHFFFAOYSA-N	-1	0	276.292	1.240	40	0		CDABRM
Cc1ccc(C[C@H]2SC[C@@H](C(=O)[O-])NC2=O)cc1Cl	ZINC000062712231	524686726	/nfs/dbraw/zinc/68/67/26/524686726.db2.gz	JJNFVSNGUSASIZ-WDEREUQCSA-N	-1	0	299.779	1.876	40	0		CDABRM
Cc1cc(Cl)cc(C(=O)NC[C@@](C)(O)C(=O)[O-])c1	ZINC000157502763	524856484	/nfs/dbraw/zinc/85/64/84/524856484.db2.gz	YTKKFCOCMSHBEI-GFCCVEGCSA-N	-1	0	271.700	1.214	40	0		CDABRM
O=C([O-])[C@@H]1CCCN(Cc2noc(C3CC3)n2)C1	ZINC000049337761	526273129	/nfs/dbraw/zinc/27/31/29/526273129.db2.gz	SCAQKXHEGVKZIP-SECBINFHSA-N	-1	0	251.286	1.244	40	0		CDABRM
O=C([O-])[C@H]1CS[C@@H](Cc2cccc(Cl)c2)C(=O)N1	ZINC000062712111	526333286	/nfs/dbraw/zinc/33/32/86/526333286.db2.gz	XAJGLNRIUDZGSF-ZJUUUORDSA-N	-1	0	285.752	1.567	40	0		CDABRM
O=C([O-])[C@H](CCc1ccccc1)N1CCS(=O)CC1	ZINC000903892251	626123530	/nfs/dbraw/zinc/12/35/30/626123530.db2.gz	ZELFNIBTDZMJFA-ZDUSSCGKSA-N	-1	0	281.377	1.137	40	0		CDABRM
Cc1nnc(S/C(=C\c2cccnc2)C(=O)[O-])o1	ZINC000007365691	342496107	/nfs/dbraw/zinc/49/61/07/342496107.db2.gz	INQBKRJBNCYFNG-UITAMQMPSA-N	-1	0	263.278	1.991	40	0		CDABRM
CCn1nc(-c2ccc(F)cc2)cc(C(=O)[O-])c1=O	ZINC000082454878	178033074	/nfs/dbraw/zinc/03/30/74/178033074.db2.gz	QYXPPZAMIHBQCH-UHFFFAOYSA-N	-1	0	262.240	1.768	40	0		CDABRM
C[C@H](CNC(=O)c1sccc1Br)C(=O)[O-]	ZINC000082613768	178126570	/nfs/dbraw/zinc/12/65/70/178126570.db2.gz	HCGXBTSDOAYQQQ-RXMQYKEDSA-N	-1	0	292.154	1.961	40	0		CDABRM
O=C([O-])[C@@H]1C[C@@H]2c3ccccc3N[C@H]2[C@@H]2CCC(=O)N21	ZINC000013407314	342031683	/nfs/dbraw/zinc/03/16/83/342031683.db2.gz	ZOJBHIDKMQCKNB-GASQSECBSA-N	-1	0	272.304	1.412	40	0		CDABRM
Cn1cnnc1Sc1ccc(N)c(C(=O)[O-])c1	ZINC000037933759	362050438	/nfs/dbraw/zinc/05/04/38/362050438.db2.gz	HGWNRLZUQSHJCI-UHFFFAOYSA-N	-1	0	250.283	1.247	40	0		CDABRM
CC[C@H](C(=O)[O-])n1ccc(C(=O)OC(C)(C)C)n1	ZINC000408715681	365728148	/nfs/dbraw/zinc/72/81/48/365728148.db2.gz	CKVRKVHTLXCZHA-SECBINFHSA-N	-1	0	254.286	1.874	40	0		CDABRM
O=C([O-])[C@@H]1CC[C@H](C(=O)Nc2cccc3c2CCN3)O1	ZINC000623073700	344884776	/nfs/dbraw/zinc/88/47/76/344884776.db2.gz	NAHNYJBFQHXRGF-NEPJUHHUSA-N	-1	0	276.292	1.225	40	0		CDABRM
Cc1cc(C(=O)NC[C@@](C)(C(=O)[O-])c2ccccc2)[nH]n1	ZINC000263297672	362719552	/nfs/dbraw/zinc/71/95/52/362719552.db2.gz	MUBGYNWVKMSILE-OAHLLOKOSA-N	-1	0	287.319	1.490	40	0		CDABRM
Cc1nn(-c2ccc(Br)cn2)nc1C(=O)[O-]	ZINC000089263479	179762891	/nfs/dbraw/zinc/76/28/91/179762891.db2.gz	ZPNPJPCXIICDAZ-UHFFFAOYSA-N	-1	0	283.085	1.431	40	0		CDABRM
CCN(CC)C(=S)SCCCS(=O)(=O)[O-]	ZINC000001632455	355943398	/nfs/dbraw/zinc/94/33/98/355943398.db2.gz	OAPOPGVMCHGQNQ-UHFFFAOYSA-N	-1	0	271.429	1.624	40	0		CDABRM
NS(=O)(=O)c1ccc(NC2(C(=O)[O-])CCCC2)cc1	ZINC000001686507	355947231	/nfs/dbraw/zinc/94/72/31/355947231.db2.gz	XBCUTCDSYTVMKW-UHFFFAOYSA-N	-1	0	284.337	1.143	40	0	in-vitro	CDABRM
NC(=O)SCC(=O)Nc1ccc(C(=O)[O-])cc1	ZINC000001729550	355950042	/nfs/dbraw/zinc/95/00/42/355950042.db2.gz	FOLFKEUJQWZSRP-UHFFFAOYSA-N	-1	0	254.267	1.135	40	0		CDABRM
CC(C)C[C@H](NC(=O)COc1ccccc1)C(=O)[O-]	ZINC000002454762	355970003	/nfs/dbraw/zinc/97/00/03/355970003.db2.gz	ZNYXSEBGUZEHKU-LBPRGKRZSA-N	-1	0	265.309	1.681	40	0		CDABRM
Cc1c([C@H](C)NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])cnn1C	ZINC000036611020	356245016	/nfs/dbraw/zinc/24/50/16/356245016.db2.gz	DEWUHCPZILOYTQ-DLOVCJGASA-N	-1	0	291.351	1.573	40	0		CDABRM
CC(=O)N[C@@H](CSCc1ccc(C)cc1)C(=O)[O-]	ZINC000016292490	356435565	/nfs/dbraw/zinc/43/55/65/356435565.db2.gz	GIZNISHGKBUYFW-LBPRGKRZSA-N	-1	0	267.350	1.818	40	0		CDABRM
O=C([O-])CC[C@H]1C(=O)NC(=O)C[C@H]1c1ccccc1	ZINC000001870398	304061693	/nfs/dbraw/zinc/06/16/93/304061693.db2.gz	CPZCCPZAXBNZAE-MNOVXSKESA-N	-1	0	261.277	1.298	40	0		CDABRM
Cc1ccc(C(=O)[O-])c(N)c1I	ZINC000040448284	356999759	/nfs/dbraw/zinc/99/97/59/356999759.db2.gz	KUPHXIFBKAORGY-UHFFFAOYSA-N	-1	0	277.061	1.880	40	0		CDABRM
C[NH+]1CCN(CCCOc2ccccc2C(=O)[O-])CC1	ZINC000019798122	358143226	/nfs/dbraw/zinc/14/32/26/358143226.db2.gz	AZMFXICEMDTGNW-UHFFFAOYSA-N	-1	0	278.352	1.401	40	0		CDABRM
O=C1O[C@H]([C@@H]2COC3(CCCCC3)O2)C([O-])=C1O	ZINC000100024687	358818000	/nfs/dbraw/zinc/81/80/00/358818000.db2.gz	SKQBFUVTZXIHLB-OIBJUYFYSA-N	-1	0	256.254	1.315	40	0		CDABRM
CCOC(=O)C(=C(C)[O-])C(=O)c1ccccc1F	ZINC000100344287	358827968	/nfs/dbraw/zinc/82/79/68/358827968.db2.gz	VVIOQRLTYLWVBO-NSHDSACASA-N	-1	0	252.241	1.777	40	0		CDABRM
O=C([O-])c1cnc(COc2ccc(F)c(Cl)c2)[nH]c1=O	ZINC000217383546	358997515	/nfs/dbraw/zinc/99/75/15/358997515.db2.gz	PWGCEIIQRUDTRN-UHFFFAOYSA-N	-1	0	298.657	1.840	40	0		CDABRM
CC(C)CCNc1ccc(C(=O)[O-])cc1S(N)(=O)=O	ZINC000217405065	358999207	/nfs/dbraw/zinc/99/92/07/358999207.db2.gz	PTNAVYRMCLQRJA-UHFFFAOYSA-N	-1	0	286.353	1.490	40	0		CDABRM
CNc1ccc(C(=O)[O-])cc1S(=O)(=O)NC(C)(C)C	ZINC000217698200	359019803	/nfs/dbraw/zinc/01/98/03/359019803.db2.gz	QWEMNJHFNRDQGR-UHFFFAOYSA-N	-1	0	286.353	1.503	40	0		CDABRM
CC(C)(C)n1cnc(C(=O)N[C@H](CC2CC2)C(=O)[O-])n1	ZINC000515301938	360471938	/nfs/dbraw/zinc/47/19/38/360471938.db2.gz	FKEBEHVXZUQMLZ-SECBINFHSA-N	-1	0	280.328	1.016	40	0		CDABRM
CC(C)C(=O)NC(=S)Nc1ccccc1C(=O)[O-]	ZINC000000569978	367050395	/nfs/dbraw/zinc/05/03/95/367050395.db2.gz	ZVWGAEXYYFANKO-UHFFFAOYSA-N	-1	0	266.322	1.854	40	0		CDABRM
Nc1nc2c(c(-c3ccccc3)n1)CN(CCC(=O)[O-])C2=O	ZINC000001725294	370856194	/nfs/dbraw/zinc/85/61/94/370856194.db2.gz	NFPXGONGFZXQAX-UHFFFAOYSA-N	-1	0	298.302	1.156	40	0		CDABRM
O=C([O-])C1=NN(c2cccc(Cl)c2)C(=O)CC1=O	ZINC000575623587	372074897	/nfs/dbraw/zinc/07/48/97/372074897.db2.gz	QINIXKLZIYRGAV-UHFFFAOYSA-N	-1	0	266.640	1.086	40	0		CDABRM
CC[C@H](C)[C@H](NC(=O)[C@H](C)c1cccnc1)C(=O)[O-]	ZINC000225482494	374494567	/nfs/dbraw/zinc/49/45/67/374494567.db2.gz	VGRBFXQYVHRJJI-UMNHJUIQSA-N	-1	0	264.325	1.801	40	0		CDABRM
C[C@@H](c1ccc(Cl)cc1)n1nnc(C(=O)[O-])c1N	ZINC000261507148	190040250	/nfs/dbraw/zinc/04/02/50/190040250.db2.gz	FYDQEBRPSTZRLG-LURJTMIESA-N	-1	0	266.688	1.821	40	0		CDABRM
Cc1nc(-c2cccc(Cl)c2)cc(=O)n1CC(=O)[O-]	ZINC000096531028	390540601	/nfs/dbraw/zinc/54/06/01/390540601.db2.gz	PIWBOFYYKNTVSV-UHFFFAOYSA-N	-1	0	278.695	1.957	40	0		CDABRM
CO[C@@H](C(=O)[O-])[C@H]1CCCCN1C(=O)OC(C)(C)C	ZINC000098181612	391248602	/nfs/dbraw/zinc/24/86/02/391248602.db2.gz	HDYQWACVXAZIHH-NXEZZACHSA-N	-1	0	273.329	1.876	40	0		CDABRM
CCc1nc(CNC(=O)c2ccc(C(=O)[O-])o2)cs1	ZINC000237056054	140250402	/nfs/dbraw/zinc/25/04/02/140250402.db2.gz	YDLFBCOEYIOCDR-UHFFFAOYSA-N	-1	0	280.305	1.927	40	0		CDABRM
O=C([O-])[C@@H]1CC12CCN(C(=O)CC[C@@H]1CCCO1)CC2	ZINC000262477693	149068536	/nfs/dbraw/zinc/06/85/36/149068536.db2.gz	TXXYLOMHCHZXPU-RYUDHWBXSA-N	-1	0	281.352	1.659	40	0		CDABRM
COc1ccc2cc([C@@H](O)S(=O)(=O)[O-])ccc2c1	ZINC000003131465	169859090	/nfs/dbraw/zinc/85/90/90/169859090.db2.gz	RSWIVIZTNNXHCQ-LBPRGKRZSA-N	-1	0	268.290	1.727	40	0		CDABRM
CSCC[C@H](NC(=O)c1cccs1)C(=O)[O-]	ZINC000005527652	170108976	/nfs/dbraw/zinc/10/89/76/170108976.db2.gz	GTPDHYQKBSCXAP-ZETCQYMHSA-N	-1	0	259.352	1.684	40	0		CDABRM
Nc1cccc(C[C@@H](NC(=O)c2ccccc2)C(=O)[O-])c1	ZINC000005582005	170115793	/nfs/dbraw/zinc/11/57/93/170115793.db2.gz	JZMITVRTVKWWPD-CQSZACIVSA-N	-1	0	284.315	1.695	40	0		CDABRM
CN(C)C(=S)SCc1ccc(C(=O)[O-])nc1	ZINC000005641157	170123006	/nfs/dbraw/zinc/12/30/06/170123006.db2.gz	KVFGVUZDZZQEKC-UHFFFAOYSA-N	-1	0	256.352	1.860	40	0		CDABRM
O=S(=O)([O-])[C@H](O)c1ccc(Cl)cc1Cl	ZINC000006525150	170209702	/nfs/dbraw/zinc/20/97/02/170209702.db2.gz	NNXZYUFUJIGZHK-ZETCQYMHSA-N	-1	0	257.094	1.872	40	0		CDABRM
COc1ccc(OC)c(CN2C[C@H](C(=O)[O-])CC2=O)c1	ZINC000008016292	170313597	/nfs/dbraw/zinc/31/35/97/170313597.db2.gz	RPKBHOLUYKNYTG-SNVBAGLBSA-N	-1	0	279.292	1.137	40	0		CDABRM
CC1=C(C(=O)[O-])[C@@H](C(=O)Nc2ccccc2)CC(=O)N1	ZINC000020568872	171255637	/nfs/dbraw/zinc/25/56/37/171255637.db2.gz	GWMVCSOCTHBIJA-JTQLQIEISA-N	-1	0	274.276	1.120	40	0		CDABRM
CC(=O)N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)C(=O)[O-]	ZINC000022047154	171350840	/nfs/dbraw/zinc/35/08/40/171350840.db2.gz	LCLMWFCLWYOLIO-LBPRGKRZSA-N	-1	0	280.711	1.953	40	0	in-vitro	CDABRM
O=C([O-])c1ccc(F)c(NC(=O)[C@@H]2CCCO2)c1	ZINC000037403030	173179703	/nfs/dbraw/zinc/17/97/03/173179703.db2.gz	MBFGSCPPYQSCMI-JTQLQIEISA-N	-1	0	253.229	1.641	40	0		CDABRM
Cc1cc(=O)c2cccc(Cl)c2n1Cc1nnn[n-]1	ZINC000040175746	174201527	/nfs/dbraw/zinc/20/15/27/174201527.db2.gz	MQOCXPBKGUTDFD-UHFFFAOYSA-N	-1	0	275.699	1.525	40	0		CDABRM
CCOc1ccccc1[C@@H]1N[C@H](C(=O)[O-])Cc2[nH]cnc21	ZINC000071643664	176239465	/nfs/dbraw/zinc/23/94/65/176239465.db2.gz	MUGUBLVQTVJECG-AAEUAGOBSA-N	-1	0	287.319	1.497	40	0		CDABRM
CCOC(=O)C1=NN(c2ccc(OC)cc2)[C@H](C(=O)[O-])C1	ZINC000071979339	176307568	/nfs/dbraw/zinc/30/75/68/176307568.db2.gz	YSBBYSXIHJZJHK-LBPRGKRZSA-N	-1	0	292.291	1.278	40	0		CDABRM
Cc1cnc([N-]S(=O)(=O)c2cnn(C(C)C)c2)s1	ZINC000072239280	176347346	/nfs/dbraw/zinc/34/73/46/176347346.db2.gz	OQNQKWDZOCITLL-UHFFFAOYSA-N	-1	0	286.382	1.452	40	0		CDABRM
CC(C)(C)OC(=O)N1CC2(COC2)[C@@](F)(C(=O)[O-])C1	ZINC000238855836	278380673	/nfs/dbraw/zinc/38/06/73/278380673.db2.gz	SXHOZQXPJZPADE-LBPRGKRZSA-N	-1	0	275.276	1.047	40	0		CDABRM
O=C([O-])[C@H](c1cccc(Cl)c1)N1CCS(=O)CC1	ZINC000574212796	294965987	/nfs/dbraw/zinc/96/59/87/294965987.db2.gz	FADZZLPXNKWPGT-NSHDSACASA-N	-1	0	287.768	1.530	40	0		CDABRM
CNc1nc(Br)c(C(=O)[O-])nc1Cl	ZINC000225748607	333182332	/nfs/dbraw/zinc/18/23/32/333182332.db2.gz	ZUZPXDHIPJYCJZ-UHFFFAOYSA-N	-1	0	266.482	1.632	40	0		CDABRM
O=C([O-])[C@@H]1CCN(C(=O)CCn2ccnc2)c2ccccc21	ZINC000388715312	482769165	/nfs/dbraw/zinc/76/91/65/482769165.db2.gz	YZYXOTGNLXGRTR-CYBMUJFWSA-N	-1	0	299.330	1.878	40	0		CDABRM
CC(C)(C)C(=O)NCc1ccc(C(=O)NCC(=O)[O-])cc1	ZINC000236802749	534505799	/nfs/dbraw/zinc/50/57/99/534505799.db2.gz	CASSCHNVIJBABD-UHFFFAOYSA-N	-1	0	292.335	1.163	40	0		CDABRM
COc1cc2c(=O)ccn(CCC(=O)[O-])c2cc1OC	ZINC000062718773	522988354	/nfs/dbraw/zinc/98/83/54/522988354.db2.gz	ZWFIJXMFBVLAQP-UHFFFAOYSA-N	-1	0	277.276	1.493	40	0		CDABRM
C[N-]S(=O)(=O)c1c(F)cc(Br)cc1F	ZINC000149548128	1166941304	/nfs/dbraw/zinc/94/13/04/1166941304.db2.gz	AHPCRLQGNQASRL-UHFFFAOYSA-N	-1	0	286.097	1.635	40	0		CDABRM
Cc1ccc(COn2cccc(C(=O)[O-])c2=O)cc1	ZINC000041670637	365527758	/nfs/dbraw/zinc/52/77/58/365527758.db2.gz	VWBPRTZHMKMIDO-UHFFFAOYSA-N	-1	0	259.261	1.484	40	0		CDABRM
C[C@@H](CC(=O)OC(C)(C)C)n1ccc(C(=O)[O-])n1	ZINC000408715650	365727947	/nfs/dbraw/zinc/72/79/47/365727947.db2.gz	CDRUTPBKDHZKBF-QMMMGPOBSA-N	-1	0	254.286	1.874	40	0		CDABRM
CC(C)c1nc(/C=C/c2cn(C)nn2)ncc1C(=O)[O-]	ZINC000607436101	345358823	/nfs/dbraw/zinc/35/88/23/345358823.db2.gz	PMEFYCFFNITNPF-SNAWJCMRSA-N	-1	0	273.296	1.597	40	0		CDABRM
CCCNc1nn(-c2ccc(OC)cc2)nc1C(=O)[O-]	ZINC000256046665	350908344	/nfs/dbraw/zinc/90/83/44/350908344.db2.gz	HKJLCBMLHRRPDL-UHFFFAOYSA-N	-1	0	276.296	1.796	40	0		CDABRM
CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)[O-]	ZINC000002522582	355972642	/nfs/dbraw/zinc/97/26/42/355972642.db2.gz	OWJXXJTWCMKBCI-WPRPVWTQSA-N	-1	0	288.344	1.127	40	0		CDABRM
CC1CCN(S(=O)(=O)c2ccsc2C(=O)[O-])CC1	ZINC000015424058	356415526	/nfs/dbraw/zinc/41/55/26/356415526.db2.gz	FNCVBSFGPOYWIB-UHFFFAOYSA-N	-1	0	289.378	1.867	40	0		CDABRM
CCCN(CCC)C(=O)[C@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)[O-]	ZINC000004019404	283206833	/nfs/dbraw/zinc/20/68/33/283206833.db2.gz	CBLLLOOLSCFRGH-RHYQMDGZSA-N	-1	0	269.341	1.513	40	0		CDABRM
Cc1nc(COc2ccccc2)[nH]c(=O)c1CC(=O)[O-]	ZINC000049468683	357217181	/nfs/dbraw/zinc/21/71/81/357217181.db2.gz	CPRCDLFJBRXYAO-UHFFFAOYSA-N	-1	0	274.276	1.284	40	0		CDABRM
O=C([O-])[C@@H]1CCCN(c2ccc(=O)n(-c3ccccc3)n2)C1	ZINC000096517259	357522249	/nfs/dbraw/zinc/52/22/49/357522249.db2.gz	PHGZELCCEBSTKM-GFCCVEGCSA-N	-1	0	299.330	1.534	40	0		CDABRM
COc1ccc(C(=O)N[C@H](C(=O)[O-])C(C)C)c(F)c1	ZINC000082265778	358153987	/nfs/dbraw/zinc/15/39/87/358153987.db2.gz	QCLWYOHEEAVSAT-NSHDSACASA-N	-1	0	269.272	1.673	40	0		CDABRM
Cc1ccc(CC(=O)N2CCOC[C@H]2CC(=O)[O-])cc1	ZINC000129436940	358283404	/nfs/dbraw/zinc/28/34/04/358283404.db2.gz	NGGQWFFJLVXMCJ-CYBMUJFWSA-N	-1	0	277.320	1.240	40	0		CDABRM
O=c1cc(CSc2nc3ccccc3o2)nc2[n-]cnn21	ZINC000100069624	358819904	/nfs/dbraw/zinc/81/99/04/358819904.db2.gz	KINFXQCJHSPIDF-UHFFFAOYSA-N	-1	0	299.315	1.851	40	0		CDABRM
Cc1cc(N2CCC[C@H](C(=O)[O-])C2)nc(Cl)n1	ZINC000072203367	359049331	/nfs/dbraw/zinc/04/93/31/359049331.db2.gz	YCKCEDKNXCGKGK-QMMMGPOBSA-N	-1	0	255.705	1.739	40	0		CDABRM
O=C([O-])Cc1cnc(Cc2cccc(F)c2)[nH]c1=O	ZINC000217388614	358998154	/nfs/dbraw/zinc/99/81/54/358998154.db2.gz	BDMOEAYKCVTXPR-UHFFFAOYSA-N	-1	0	262.240	1.127	40	0		CDABRM
O=C([O-])Cn1ccc(=O)c2ccc(Br)cc21	ZINC000053994607	304091243	/nfs/dbraw/zinc/09/12/43/304091243.db2.gz	YUXYICLBQLXHIK-UHFFFAOYSA-N	-1	0	282.093	1.849	40	0		CDABRM
Cn1cc([C@@H]2N[C@@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cn1	ZINC000575410982	364756877	/nfs/dbraw/zinc/75/68/77/364756877.db2.gz	VUMLUDMRDHGQIS-KGLIPLIRSA-N	-1	0	296.330	1.590	40	0		CDABRM
Cc1nn(-c2ccccc2)c2[nH]c(=O)c(C(=O)[O-])cc12	ZINC000018188635	367281147	/nfs/dbraw/zinc/28/11/47/367281147.db2.gz	IEFRWKSPBQJDRK-UHFFFAOYSA-N	-1	0	269.260	1.720	40	0		CDABRM
COc1cc(N2CCCC[C@@H]2C(=O)[O-])nc(SC)n1	ZINC000079439524	374405713	/nfs/dbraw/zinc/40/57/13/374405713.db2.gz	AIEWMEUWZXHARP-MRVPVSSYSA-N	-1	0	283.353	1.651	40	0		CDABRM
O=C([O-])[C@H]1CCCN(c2nc(C(F)(F)F)cc(=O)[nH]2)C1	ZINC000057342888	304184356	/nfs/dbraw/zinc/18/43/56/304184356.db2.gz	XACNCIFQJQGZHA-LURJTMIESA-N	-1	0	291.229	1.090	40	0		CDABRM
CS(=O)(=O)[C@H]1[C@@H](C(=O)[O-])[C@@H]1c1cccc(Cl)c1	ZINC000218353003	375817647	/nfs/dbraw/zinc/81/76/47/375817647.db2.gz	NMSBOUCCONIQTC-LPEHRKFASA-N	-1	0	274.725	1.551	40	0		CDABRM
CSc1ncc(CNC(C)(C)[P@@](=O)([O-])O)cn1	ZINC000218773888	375893849	/nfs/dbraw/zinc/89/38/49/375893849.db2.gz	KTPUTCOOEKNVQM-UHFFFAOYSA-N	-1	0	277.286	1.202	40	0		CDABRM
C[C@@]1(C(=O)[O-])CCN(C(=O)Cc2ccc3c(c2)CCO3)C1	ZINC000262132449	190049261	/nfs/dbraw/zinc/04/92/61/190049261.db2.gz	ILUJHRCIMKMYKF-MRXNPFEDSA-N	-1	0	289.331	1.487	40	0		CDABRM
O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@@H]1C(=O)N1CCCCCC1	ZINC000004904546	304210918	/nfs/dbraw/zinc/21/09/18/304210918.db2.gz	BCXDAYVGRBLLJD-VOAKCMCISA-N	-1	0	263.337	1.912	40	0		CDABRM
Cc1cc(C)n(C(=O)[N-]S(=O)(=O)c2ccc(C)cc2)n1	ZINC000001579911	390139364	/nfs/dbraw/zinc/13/93/64/390139364.db2.gz	ZVBQNQCQPFUDRM-UHFFFAOYSA-N	-1	0	293.348	1.755	40	0		CDABRM
C[C@@H]1CCc2nnc(N3CC[C@H](C(=O)[O-])C3)cc2C1	ZINC000096530191	390542025	/nfs/dbraw/zinc/54/20/25/390542025.db2.gz	GLVGYDKGLBRXHY-ZJUUUORDSA-N	-1	0	261.325	1.512	40	0		CDABRM
CC[C@H](C)NC(=O)c1c(O)nc2cc(C)ccn2c1=O	ZINC000164574258	391006498	/nfs/dbraw/zinc/00/64/98/391006498.db2.gz	RGGXFFIXNMGDFD-VIFPVBQESA-N	-1	0	275.308	1.237	40	0		CDABRM
C[C@@H]1CCCN(C(=O)CC[C@@H]2CCCO2)[C@H]1C(=O)[O-]	ZINC000300269501	140506154	/nfs/dbraw/zinc/50/61/54/140506154.db2.gz	DBSZVZHUMDMSIN-NTZNESFSSA-N	-1	0	269.341	1.657	40	0		CDABRM
COCCCNC(=S)Nc1cccc(C(=O)[O-])c1	ZINC000002597393	292362796	/nfs/dbraw/zinc/36/27/96/292362796.db2.gz	SNVQIUVXNAUIQN-UHFFFAOYSA-N	-1	0	268.338	1.708	40	0		CDABRM
Cc1ccncc1S(=O)(=O)[N-]C(=O)C[C@@H]1CC[C@@H]2C[C@@H]21	ZINC000408504006	160792785	/nfs/dbraw/zinc/79/27/85/160792785.db2.gz	UHEKLDPMIICDCM-WOPDTQHZSA-N	-1	0	294.376	1.631	40	0		CDABRM
CC(=O)SC[C@H](Cc1ccccc1)C(=O)NCC(=O)[O-]	ZINC000005166978	170073073	/nfs/dbraw/zinc/07/30/73/170073073.db2.gz	DCMKACHZOPSUHN-LBPRGKRZSA-N	-1	0	295.360	1.326	40	0		CDABRM
COc1ccc(OCC(=O)[O-])c2c1CCCC2=O	ZINC000005813013	170142385	/nfs/dbraw/zinc/14/23/85/170142385.db2.gz	GSTKUKVZSYDJND-UHFFFAOYSA-N	-1	0	250.250	1.678	40	0		CDABRM
Cc1ccc(C)n1N(CC(=O)[O-])C(=O)c1ccccc1	ZINC000008729213	170350381	/nfs/dbraw/zinc/35/03/81/170350381.db2.gz	AZDLZTTWORBMMR-UHFFFAOYSA-N	-1	0	272.304	1.968	40	0		CDABRM
COc1cc(C(=O)[O-])ccc1OCC(=O)NC1CC1	ZINC000013419554	170549290	/nfs/dbraw/zinc/54/92/90/170549290.db2.gz	BBRVBSAAFHCIDC-UHFFFAOYSA-N	-1	0	265.265	1.051	40	0		CDABRM
COc1cccc(-c2ccnc3nc(CC(=O)[O-])nn32)c1	ZINC000035655502	172331304	/nfs/dbraw/zinc/33/13/04/172331304.db2.gz	LPCPXRNDRKCELO-UHFFFAOYSA-N	-1	0	284.275	1.427	40	0		CDABRM
NC(=O)CCC[C@H](NC(=O)OCc1ccccc1)C(=O)[O-]	ZINC000044699368	175235602	/nfs/dbraw/zinc/23/56/02/175235602.db2.gz	DURMFLXRPFTILO-NSHDSACASA-N	-1	0	294.307	1.022	40	0	in-vitro	CDABRM
CCC(=O)Nc1ccc(N2C[C@H](C(=O)[O-])CC2=O)cc1	ZINC000045953780	175388980	/nfs/dbraw/zinc/38/89/80/175388980.db2.gz	LINVJPAQOMNRHU-SECBINFHSA-N	-1	0	276.292	1.473	40	0		CDABRM
CC(C)[C@@H]1CCC2=C(C(=O)OC2)[C@H]1/C=C(\CO)C(=O)[O-]	ZINC000031161792	279942810	/nfs/dbraw/zinc/94/28/10/279942810.db2.gz	YWASZTJGPFRWMW-AMYKANGRSA-N	-1	0	280.320	1.525	40	0	biogenic,in-vitro	CDABRM
Cn1cncc1C(=O)N1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21	ZINC000236072797	303026596	/nfs/dbraw/zinc/02/65/96/303026596.db2.gz	OEHNSYYUQRIITB-VWYCJHECSA-N	-1	0	277.324	1.278	40	0		CDABRM
CC[C@H](C(=O)[O-])N(C)S(=O)(=O)Cc1ccc(C)c(C)c1	ZINC000578196710	317488911	/nfs/dbraw/zinc/48/89/11/317488911.db2.gz	QUXYYPWTVBZFCH-CYBMUJFWSA-N	-1	0	299.392	1.928	40	0		CDABRM
Cc1cc(C)c(S(=O)(=O)NC2CC(C(=O)[O-])C2)c(C)c1	ZINC000693369870	976606110	/nfs/dbraw/zinc/60/61/10/976606110.db2.gz	BCPIGLAKCVPJIL-UHFFFAOYSA-N	-1	0	297.376	1.753	40	0		CDABRM
O=C1[N-]C(=O)/C(=C\c2cc(Br)cs2)N1	ZINC000001095129	342482630	/nfs/dbraw/zinc/48/26/30/342482630.db2.gz	KSUIFPXNNYQWNI-QHHAFSJGSA-N	-1	0	273.111	1.691	40	0		CDABRM
CC(C)(C)OC(=O)N[C@H](C(=O)[O-])c1ccncc1	ZINC000095749012	185025327	/nfs/dbraw/zinc/02/53/27/185025327.db2.gz	MHUNKOGKEZKMBI-VIFPVBQESA-N	-1	0	252.270	1.732	40	0		CDABRM
O=C([O-])CCNC(=O)c1nc2ccccc2s1	ZINC000139330101	362020384	/nfs/dbraw/zinc/02/03/84/362020384.db2.gz	BZVXALQCCDHTQU-UHFFFAOYSA-N	-1	0	250.279	1.501	40	0		CDABRM
CC(C)C[C@@H](C(=O)[O-])N1CCC(C)(C)S(=O)(=O)CC1	ZINC000629488146	362094840	/nfs/dbraw/zinc/09/48/40/362094840.db2.gz	IIGSFSBLWQSDEB-NSHDSACASA-N	-1	0	291.413	1.385	40	0		CDABRM
C[C@@H]1CCCN(c2nsnc2OCC(=O)[O-])C1	ZINC000085394177	179049307	/nfs/dbraw/zinc/04/93/07/179049307.db2.gz	MTHLGPSPHVTEHQ-SSDOTTSWSA-N	-1	0	257.315	1.238	40	0		CDABRM
CC(=O)N[C@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)[O-]	ZINC000000128228	355890045	/nfs/dbraw/zinc/89/00/45/355890045.db2.gz	UBBKYYPMLIMJNV-SNVBAGLBSA-N	-1	0	291.225	1.717	40	0		CDABRM
CC(=O)N[C@H](C(=O)[O-])[C@H](C)c1c[nH]c2ccccc21	ZINC000001728131	355949488	/nfs/dbraw/zinc/94/94/88/355949488.db2.gz	BJZSSQKRXOYXCT-OQPBUACISA-N	-1	0	260.293	1.861	40	0		CDABRM
CC(C)n1cc(C(=O)[O-])c(I)n1	ZINC000408717867	356107094	/nfs/dbraw/zinc/10/70/94/356107094.db2.gz	YLIIIGMONADNAQ-UHFFFAOYSA-N	-1	0	280.065	1.767	40	0		CDABRM
O=C([O-])c1cc(S(=O)(=O)NC2CCCC2)ccc1F	ZINC000013076051	356337161	/nfs/dbraw/zinc/33/71/61/356337161.db2.gz	FWZLBJWLCHVGSO-UHFFFAOYSA-N	-1	0	287.312	1.745	40	0		CDABRM
Cc1ccc(F)cc1C(=O)N(C)C[C@H](C)C(=O)[O-]	ZINC000059882541	356366277	/nfs/dbraw/zinc/36/62/77/356366277.db2.gz	IOQJBXGMMDFNJR-VIFPVBQESA-N	-1	0	253.273	1.927	40	0		CDABRM
COc1ccc(Cc2noc(CCC(=O)[O-])n2)cc1OC	ZINC000037658215	356914993	/nfs/dbraw/zinc/91/49/93/356914993.db2.gz	AVKRBFQODMKEML-UHFFFAOYSA-N	-1	0	292.291	1.695	40	0		CDABRM
Cc1cc(Cl)ccc1C[C@@H](C(=O)[O-])[NH+]1CCOCC1	ZINC000057592749	357361286	/nfs/dbraw/zinc/36/12/86/357361286.db2.gz	XPKYOBCSNXVPRS-ZDUSSCGKSA-N	-1	0	283.755	1.976	40	0		CDABRM
Cc1cc(N2CCC(C(=O)[O-])CC2)nc(C2CC2)n1	ZINC000096516927	357522192	/nfs/dbraw/zinc/52/21/92/357522192.db2.gz	WCJXPAGAFDWHTG-UHFFFAOYSA-N	-1	0	261.325	1.963	40	0		CDABRM
Cc1ccc(-n2c(=O)[nH]cc(C(=O)[O-])c2=O)cc1Cl	ZINC000078401833	358036864	/nfs/dbraw/zinc/03/68/64/358036864.db2.gz	JVJKOIRZQBNJAG-UHFFFAOYSA-N	-1	0	280.667	1.186	40	0		CDABRM
CCCN(CCC)S(=O)(=O)c1cncc(C(=O)[O-])c1	ZINC000079006695	358057111	/nfs/dbraw/zinc/05/71/11/358057111.db2.gz	PNRCXITYZPVCKV-UHFFFAOYSA-N	-1	0	286.353	1.591	40	0		CDABRM
Cc1ccc(F)cc1NC(=O)[C@H]1[C@@H](C(=O)[O-])[C@H]2CC[C@@H]1O2	ZINC000013119497	366444613	/nfs/dbraw/zinc/44/46/13/366444613.db2.gz	KBTYMRLQHKKWIC-LOWDOPEQSA-N	-1	0	293.294	1.951	40	0		CDABRM
Cc1cc2ncc(C(=O)N[C@H](C)[C@@H](C)C(=O)[O-])c(C)n2n1	ZINC000132539691	358568027	/nfs/dbraw/zinc/56/80/27/358568027.db2.gz	QAKPYAUKJPKHOG-RKDXNWHRSA-N	-1	0	290.323	1.185	40	0		CDABRM
O=C([O-])CS[C@@H]1CC(=O)N(c2ccccc2Cl)C1=O	ZINC000100856055	358836361	/nfs/dbraw/zinc/83/63/61/358836361.db2.gz	UJQMVMRLFJTSRI-SECBINFHSA-N	-1	0	299.735	1.790	40	0		CDABRM
CSc1nc2n(n1)[C@H](c1ccncc1)CC(C(=O)[O-])=N2	ZINC000102335762	358875128	/nfs/dbraw/zinc/87/51/28/358875128.db2.gz	AXAQPDGXYLYJAA-VIFPVBQESA-N	-1	0	289.320	1.378	40	0		CDABRM
CSc1nc2n(n1)[C@H](c1ccco1)CC(C(=O)[O-])=N2	ZINC000102334283	358875937	/nfs/dbraw/zinc/87/59/37/358875937.db2.gz	PGBMKFSAQLYITK-ZETCQYMHSA-N	-1	0	278.293	1.576	40	0		CDABRM
Cc1nc(COc2ccc(F)cc2)[nH]c(=O)c1CC(=O)[O-]	ZINC000217390340	358998424	/nfs/dbraw/zinc/99/84/24/358998424.db2.gz	ISLQZUNELRLSCP-UHFFFAOYSA-N	-1	0	292.266	1.424	40	0		CDABRM
Cc1ccc(-n2c(C)c(C(=O)[O-])cnc2=O)c(C)c1	ZINC000217677318	359018833	/nfs/dbraw/zinc/01/88/33/359018833.db2.gz	TWYAKEVKTIJQSM-UHFFFAOYSA-N	-1	0	258.277	1.856	40	0		CDABRM
O=C([O-])CCc1nnc(COc2cccc(F)c2)o1	ZINC000032114332	359186135	/nfs/dbraw/zinc/18/61/35/359186135.db2.gz	DMYKPSTWIHLWBU-UHFFFAOYSA-N	-1	0	266.228	1.805	40	0		CDABRM
COc1ccc(OC)c(/C=C/C(=O)N[C@@H](C)C(=O)[O-])c1	ZINC000033441030	359333097	/nfs/dbraw/zinc/33/30/97/359333097.db2.gz	ZVGCRMNQHOLRCM-IYNCYZAOSA-N	-1	0	279.292	1.306	40	0		CDABRM
CCOC(=O)c1ccc2c(c1)c(=O)ccn2CC(=O)[O-]	ZINC000226101847	359647764	/nfs/dbraw/zinc/64/77/64/359647764.db2.gz	XRTAUOHUTFPRGK-UHFFFAOYSA-N	-1	0	275.260	1.263	40	0		CDABRM
CC1=C(C(=O)[O-])Sc2nnc(Cc3ccccc3)n2N1	ZINC000011729767	360255237	/nfs/dbraw/zinc/25/52/37/360255237.db2.gz	ZYOHXAJALNJWGS-LLVKDONJSA-N	-1	0	288.332	1.652	40	0		CDABRM
C[C@@]12C=C[C@@H](O1)[C@H](C(=O)[O-])[C@@H]2C(=O)Nc1ccccc1F	ZINC000409375803	364060597	/nfs/dbraw/zinc/06/05/97/364060597.db2.gz	PKOYKKYMEDDHEY-ZAZJYDDPSA-N	-1	0	291.278	1.809	40	0		CDABRM
CC[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1CC1(Cl)Cl	ZINC000181969244	365059326	/nfs/dbraw/zinc/05/93/26/365059326.db2.gz	OFRWJWBXWYFFMB-WDSKDSINSA-N	-1	0	274.169	1.425	40	0		CDABRM
COc1ccc(-c2cc[nH]c3nc(=O)[n-]c(=O)c2-3)cc1OC	ZINC000010338998	365086446	/nfs/dbraw/zinc/08/64/46/365086446.db2.gz	XGQKRZSGPCXJKJ-UHFFFAOYSA-N	-1	0	299.286	1.296	40	0		CDABRM
Cc1cc(=O)n(Cc2cccc(C(=O)[O-])c2)c(C)n1	ZINC000019722945	368015319	/nfs/dbraw/zinc/01/53/19/368015319.db2.gz	YRLDGIULAJIGDT-UHFFFAOYSA-N	-1	0	258.277	1.607	40	0		CDABRM
O=C([O-])[C@H]1CC(=O)N(C[C@H]2CCCO2)[C@@H]1c1ccccc1	ZINC000040449014	304174528	/nfs/dbraw/zinc/17/45/28/304174528.db2.gz	GJUBBFPRPXTLSH-VNHYZAJKSA-N	-1	0	289.331	1.840	40	0		CDABRM
Cn1cc(NCc2ccc(F)s2)c(C(=O)[O-])n1	ZINC000256052120	190004059	/nfs/dbraw/zinc/00/40/59/190004059.db2.gz	LZLIBZWIAYXFPO-UHFFFAOYSA-N	-1	0	255.274	1.931	40	0		CDABRM
Cn1c2ccccc2nc1[S@](=O)C(F)(F)C(=O)[O-]	ZINC000217576435	375678048	/nfs/dbraw/zinc/67/80/48/375678048.db2.gz	XCFIWHZYFTUHFV-SFHVURJKSA-N	-1	0	274.248	1.358	40	0		CDABRM
Cc1nc(C)n(CC(=O)[O-])c(=O)c1Cc1ccccc1	ZINC000096531013	390541034	/nfs/dbraw/zinc/54/10/34/390541034.db2.gz	BAOBMIYBNVLUPH-UHFFFAOYSA-N	-1	0	272.304	1.536	40	0		CDABRM
CO[C@@H](C(=O)[O-])[C@@H]1CCCN1C(=O)OC(C)(C)C	ZINC000098181608	391248600	/nfs/dbraw/zinc/24/86/00/391248600.db2.gz	HNPBCAHTHZSMDP-DTWKUNHWSA-N	-1	0	259.302	1.486	40	0		CDABRM
Cc1cccc(-n2c(=O)c(C(=O)[O-])c[nH]c2=S)c1	ZINC000020156267	391349742	/nfs/dbraw/zinc/34/97/42/391349742.db2.gz	VUNCPNXWKFUXIT-UHFFFAOYSA-N	-1	0	262.290	1.902	40	0		CDABRM
COc1cc(C(=O)N2CC[C@@H](C(=O)[O-])C2)ccc1Cl	ZINC000262927432	131274121	/nfs/dbraw/zinc/27/41/21/131274121.db2.gz	JPESSOYOISNJAR-SECBINFHSA-N	-1	0	283.711	1.895	40	0		CDABRM
CC(=O)[N-]S(=O)(=O)N1CCc2c1cccc2Cl	ZINC000133577628	413118874	/nfs/dbraw/zinc/11/88/74/413118874.db2.gz	MOVBLKNJIYJSRQ-UHFFFAOYSA-N	-1	0	274.729	1.083	40	0		CDABRM
COC1CCN(C(=O)c2ccccc2C(=O)[O-])CC1	ZINC000037265782	292167999	/nfs/dbraw/zinc/16/79/99/292167999.db2.gz	LGMMOTRBDXQRIT-UHFFFAOYSA-N	-1	0	263.293	1.636	40	0		CDABRM
O=C([O-])[C@H]1CC[C@H](C(=O)NCCc2nccs2)CC1	ZINC000262708944	149100189	/nfs/dbraw/zinc/10/01/89/149100189.db2.gz	KVOCMYMGLBPUCE-MGCOHNPYSA-N	-1	0	282.365	1.693	40	0		CDABRM
CC(C)SCCOC(=O)[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)[O-]	ZINC000005328551	170085985	/nfs/dbraw/zinc/08/59/85/170085985.db2.gz	NVXLNAHUHMADBS-ZRUFSTJUSA-N	-1	0	288.365	1.549	40	0		CDABRM
O=C([O-])[C@@H](c1ccc(F)c(F)c1)N1CCOCC1	ZINC000008699042	170346483	/nfs/dbraw/zinc/34/64/83/170346483.db2.gz	GUAFNTWCOUOSPR-LLVKDONJSA-N	-1	0	257.236	1.423	40	0		CDABRM
CCCCNc1ccc(S(N)(=O)=O)cc1C(=O)[O-]	ZINC000013276943	170541975	/nfs/dbraw/zinc/54/19/75/170541975.db2.gz	JAKKEHMTKSGDRL-UHFFFAOYSA-N	-1	0	272.326	1.244	40	0		CDABRM
O=C([O-])[C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C(=O)NCc1ccncc1	ZINC000013320685	170543705	/nfs/dbraw/zinc/54/37/05/170543705.db2.gz	KOGIDHMJCULLSY-QNWHQSFQSA-N	-1	0	274.320	1.445	40	0		CDABRM
CSCC[C@@H](NC(=O)/C=C/c1ccco1)C(=O)[O-]	ZINC000019512162	170820909	/nfs/dbraw/zinc/82/09/09/170820909.db2.gz	KHFWWYXHMBWCPB-ORAHPGNNSA-N	-1	0	269.322	1.615	40	0		CDABRM
CC(C)(C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-]	ZINC000021953753	171340766	/nfs/dbraw/zinc/34/07/66/171340766.db2.gz	SUQCHHVYBPOPTR-NSHDSACASA-N	-1	0	265.309	1.550	40	0	in-vitro	CDABRM
Cc1cc(C)n(C[C@H](NC(=O)OC(C)(C)C)C(=O)[O-])n1	ZINC000022014478	171349148	/nfs/dbraw/zinc/34/91/48/171349148.db2.gz	FKUWTBLRKYQJPN-JTQLQIEISA-N	-1	0	283.328	1.478	40	0		CDABRM
COc1ccc(N2C(=O)S[C@H](CC(=O)[O-])C2=O)cc1	ZINC000036635210	172643030	/nfs/dbraw/zinc/64/30/30/172643030.db2.gz	OLBJAPLIMIMLKT-SECBINFHSA-N	-1	0	281.289	1.738	40	0		CDABRM
O=C([O-])Cn1cc(NC(=O)Cc2ccccc2F)cn1	ZINC000038029638	174020783	/nfs/dbraw/zinc/02/07/83/174020783.db2.gz	MVGPYNBYILLBDK-UHFFFAOYSA-N	-1	0	277.255	1.288	40	0		CDABRM
CC(C)n1nc(N)c(I)c1C(=O)[O-]	ZINC000072339486	176371623	/nfs/dbraw/zinc/37/16/23/176371623.db2.gz	UGXDOYPHGNBQOU-UHFFFAOYSA-N	-1	0	295.080	1.349	40	0		CDABRM
CC(=O)N1CCCC[C@@H]1c1nc(C)cc(CCC(=O)[O-])n1	ZINC000072363395	176377864	/nfs/dbraw/zinc/37/78/64/176377864.db2.gz	PYOMKQLRHRGMNG-CYBMUJFWSA-N	-1	0	291.351	1.876	40	0		CDABRM
COc1ccc(Cc2ocnc2C(=O)[O-])cc1OC	ZINC000076358897	177000545	/nfs/dbraw/zinc/00/05/45/177000545.db2.gz	GEIBDJBWTBRNKU-UHFFFAOYSA-N	-1	0	263.249	1.981	40	0		CDABRM
C[C@@]1(c2cccc(NC(=O)c3ccoc3)c2)NC(=O)NC1=O	ZINC000040111202	260135354	/nfs/dbraw/zinc/13/53/54/260135354.db2.gz	WXTJFNPYTYXBFS-HNNXBMFYSA-N	-1	0	299.286	1.587	40	0		CDABRM
Cc1nc(C(=O)N2CCCC[C@@H]2C(=O)[O-])cs1	ZINC000082242558	302550154	/nfs/dbraw/zinc/55/01/54/302550154.db2.gz	AIRFHLBYSCCHIZ-SECBINFHSA-N	-1	0	254.311	1.531	40	0		CDABRM
CNC(=O)C1(C(=O)Nc2cc(C(=O)[O-])ccc2F)CCC1	ZINC000678982122	483242460	/nfs/dbraw/zinc/24/24/60/483242460.db2.gz	DUJXFWFBVXGXPP-UHFFFAOYSA-N	-1	0	294.282	1.379	40	0		CDABRM
CC(C)(C)[C@@H](C(=O)[O-])N1C(=O)c2ccccc2C1=O	ZINC000044076125	518913196	/nfs/dbraw/zinc/91/31/96/518913196.db2.gz	RZEIABQUGXEDJK-SNVBAGLBSA-N	-1	0	261.277	1.782	40	0		CDABRM
Cn1cnc2c1ncnc2N1CCC[C@H](CCC(=O)[O-])C1	ZINC000871867082	742580989	/nfs/dbraw/zinc/58/09/89/742580989.db2.gz	ALZFEHUOADPEIU-SNVBAGLBSA-N	-1	0	289.339	1.445	40	0		CDABRM
O=S(=O)([N-]n1cccn1)c1cccc2ccccc21	ZINC001534067577	969474952	/nfs/dbraw/zinc/47/49/52/969474952.db2.gz	KORZIOXGMOOOCA-UHFFFAOYSA-N	-1	0	273.317	1.969	40	0		CDABRM
C[C@@H](O)SC[C@H](NC(=O)OC(C)(C)C)C(=O)[O-]	ZINC000584577583	346367226	/nfs/dbraw/zinc/36/72/26/346367226.db2.gz	JHRAIPMYFUCDOC-BQBZGAKWSA-N	-1	0	265.331	1.036	40	0		CDABRM
CCN(CC)c1nn(-c2cccc(OC)c2)nc1C(=O)[O-]	ZINC000256046603	350908187	/nfs/dbraw/zinc/90/81/87/350908187.db2.gz	GZMUZXZECLVKSQ-UHFFFAOYSA-N	-1	0	290.323	1.820	40	0		CDABRM
Cc1nc(NC(=O)c2ccco2)sc1C(=O)[O-]	ZINC000001330440	362997806	/nfs/dbraw/zinc/99/78/06/362997806.db2.gz	PTLGOOWEAHEWJQ-UHFFFAOYSA-N	-1	0	252.251	1.995	40	0		CDABRM
COCCNC(=S)Nc1ccc(C(=O)[O-])cc1C	ZINC000408586652	356005627	/nfs/dbraw/zinc/00/56/27/356005627.db2.gz	PNOPAJYNRQUFCS-UHFFFAOYSA-N	-1	0	268.338	1.626	40	0		CDABRM
C[C@@H](O)[C@@H](NC(=O)SCc1ccccc1)C(=O)[O-]	ZINC000001677516	355947268	/nfs/dbraw/zinc/94/72/68/355947268.db2.gz	DQIYTXNSTIXVNX-PSASIEDQSA-N	-1	0	269.322	1.463	40	0		CDABRM
COC(=O)C1=C([O-])c2ccccc2C[C@@H]1C(=O)OC	ZINC000003847794	356010827	/nfs/dbraw/zinc/01/08/27/356010827.db2.gz	AOITZMIHIOPQMD-WDEREUQCSA-N	-1	0	262.261	1.004	40	0		CDABRM
COc1ccccc1-c1nnc(CS(=O)(=O)[O-])o1	ZINC000408712126	356096989	/nfs/dbraw/zinc/09/69/89/356096989.db2.gz	VQINMSHRSVHQAZ-UHFFFAOYSA-N	-1	0	270.266	1.133	40	0		CDABRM
Cn1cnc(S(=O)(=O)[N-]c2ccc(F)cn2)c1Cl	ZINC000069675980	356185064	/nfs/dbraw/zinc/18/50/64/356185064.db2.gz	OUMMSZGAOFKCCF-UHFFFAOYSA-N	-1	0	290.707	1.408	40	0		CDABRM
Cc1cc2nc([C@@H](C)NC(=O)c3cccnc3)cc(=O)n2[n-]1	ZINC000019129786	356475564	/nfs/dbraw/zinc/47/55/64/356475564.db2.gz	JMGPWEDLXGKJCH-SNVBAGLBSA-N	-1	0	297.318	1.629	40	0		CDABRM
C[C@H]1C[C@H]1C(=O)Nc1cccc(C(=O)Nc2nn[nH]n2)c1	ZINC000060380410	357441801	/nfs/dbraw/zinc/44/18/01/357441801.db2.gz	HNAZLCCQDIBTCQ-OIBJUYFYSA-N	-1	0	286.295	1.047	40	0		CDABRM
Cc1nc(C2CC2)cc(N2CCC[C@@H](C(=O)[O-])C2)n1	ZINC000096516885	357522234	/nfs/dbraw/zinc/52/22/34/357522234.db2.gz	VODRUGDJXBEEDB-LLVKDONJSA-N	-1	0	261.325	1.963	40	0		CDABRM
COc1ccc(Cl)cc1N1N=C(C(=O)[O-])CC1=O	ZINC000217707600	359021669	/nfs/dbraw/zinc/02/16/69/359021669.db2.gz	XOFSSXDHKBLUIF-UHFFFAOYSA-N	-1	0	268.656	1.938	40	0		CDABRM
CCNc1ccc(C(=O)[O-])cc1S(=O)(=O)NC(C)C	ZINC000217696007	359019761	/nfs/dbraw/zinc/01/97/61/359019761.db2.gz	NQNQYXSOGBOGAL-UHFFFAOYSA-N	-1	0	286.353	1.503	40	0		CDABRM
CC(C)c1oc(NC(=O)c2ccccc2C(=O)[O-])nc1O	ZINC000227173826	360786809	/nfs/dbraw/zinc/78/68/09/360786809.db2.gz	QWGKKUKQXOTCKX-SNVBAGLBSA-N	-1	0	290.275	1.052	40	0		CDABRM
CC1=C(C)C[C@@H](C(=O)[N-]S(=O)(=O)c2ccnn2C)CC1	ZINC000408502636	361485982	/nfs/dbraw/zinc/48/59/82/361485982.db2.gz	SWBJCQYYWCNNJZ-NSHDSACASA-N	-1	0	297.380	1.362	40	0		CDABRM
O=C([O-])c1cc2n(n1)CCCN(Cc1ccccc1)C2=O	ZINC000049454666	363997612	/nfs/dbraw/zinc/99/76/12/363997612.db2.gz	BCJVXGGGZQLGSV-UHFFFAOYSA-N	-1	0	285.303	1.627	40	0		CDABRM
CC(C)(C)OC(=O)N[C@@]1(C(=O)[O-])C[C@@H]1c1c[nH]cn1	ZINC000242649325	364076696	/nfs/dbraw/zinc/07/66/96/364076696.db2.gz	SBAYJNKQEYXXMD-KRTXAFLBSA-N	-1	0	267.285	1.245	40	0		CDABRM
Cc1nc(S(=O)(=O)C2CCCC2)c(C(=O)[O-])s1	ZINC000218307842	365413988	/nfs/dbraw/zinc/41/39/88/365413988.db2.gz	IIJPLBCSWIXAPA-UHFFFAOYSA-N	-1	0	275.351	1.866	40	0		CDABRM
Cc1onc([N-]S(=O)(=O)c2ccc(N)cc2)c1C	ZINC000000002110	367326131	/nfs/dbraw/zinc/32/61/31/367326131.db2.gz	DAUFGBIKKGOPJA-UHFFFAOYSA-N	-1	0	267.310	1.674	40	0	in-man	CDABRM
O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCCc2sccc2C1	ZINC000225482803	304146065	/nfs/dbraw/zinc/14/60/65/304146065.db2.gz	VVMGFHYCVPUMOV-NXEZZACHSA-N	-1	0	265.334	1.744	40	0		CDABRM
O=C([O-])[C@H](c1ccc(F)cc1F)N1CCOCC1	ZINC000016082877	304174114	/nfs/dbraw/zinc/17/41/14/304174114.db2.gz	NEJAZKLVIPZCSH-NSHDSACASA-N	-1	0	257.236	1.423	40	0		CDABRM
O=C([O-])[C@@H]1CCCCN1c1cc(NC2CC2)ncn1	ZINC000079439119	374405498	/nfs/dbraw/zinc/40/54/98/374405498.db2.gz	QBNNHZXDFUUIKD-JTQLQIEISA-N	-1	0	262.313	1.494	40	0		CDABRM
CCc1ccc(N2C(=O)N[C@@H](CC(=O)[O-])C2=O)cc1	ZINC000218711401	375722552	/nfs/dbraw/zinc/72/25/52/375722552.db2.gz	MMZWOFLFPLNLJP-JTQLQIEISA-N	-1	0	262.265	1.149	40	0		CDABRM
CC(=O)N1CCC[C@H](c2cnc(NCCC(=O)[O-])cn2)C1	ZINC000257234260	190017146	/nfs/dbraw/zinc/01/71/46/190017146.db2.gz	GSVALGAIACFCMH-NSHDSACASA-N	-1	0	292.339	1.089	40	0		CDABRM
O=C([O-])COc1ccc2c(c1)CCC(=O)N2CCF	ZINC000218784806	375896409	/nfs/dbraw/zinc/89/64/09/375896409.db2.gz	PAFWNMBVYAIBDE-UHFFFAOYSA-N	-1	0	267.256	1.399	40	0		CDABRM
O=C([O-])c1ccc(=O)n([C@@H](CO)Cc2ccccc2)c1	ZINC000257339437	190037060	/nfs/dbraw/zinc/03/70/60/190037060.db2.gz	ZBSOQRQIBCGPSQ-CYBMUJFWSA-N	-1	0	273.288	1.323	40	0		CDABRM
O=C([O-])c1ccc(N2CCN3C(=O)CC[C@H]3C2)s1	ZINC000168604963	304246650	/nfs/dbraw/zinc/24/66/50/304246650.db2.gz	YFUWKOMJBNVPAG-QMMMGPOBSA-N	-1	0	266.322	1.257	40	0		CDABRM
CCCCCn1cc(N2C[C@H](C(=O)[O-])CC2=O)cn1	ZINC000096515675	390532225	/nfs/dbraw/zinc/53/22/25/390532225.db2.gz	YKCNRSPSLPXAEX-SNVBAGLBSA-N	-1	0	265.313	1.511	40	0		CDABRM
Cc1ccc(-c2ncc(CCC(=O)[O-])c(=O)[nH]2)cc1	ZINC000215798693	390999997	/nfs/dbraw/zinc/99/99/97/390999997.db2.gz	GERHCEVFKBGHHM-UHFFFAOYSA-N	-1	0	258.277	1.763	40	0		CDABRM
O=C([O-])[C@H]1[C@H](Oc2ccccc2)C(=O)N1Cc1ccccc1	ZINC000218279752	130767536	/nfs/dbraw/zinc/76/75/36/130767536.db2.gz	RQZQJXASQBWYCY-CABCVRRESA-N	-1	0	297.310	1.930	40	0		CDABRM
CC(C)C[C@@H]([NH2+]Cc1cccc(OCC(=O)[O-])c1)C(=O)[O-]	ZINC000062717104	392803873	/nfs/dbraw/zinc/80/38/73/392803873.db2.gz	UVCWRKYGKONZBL-CYBMUJFWSA-N	-1	0	295.335	1.739	40	0		CDABRM
O=Cc1cnc([N-]S(=O)(=O)c2ccc(Cl)cc2)nc1	ZINC000008701473	170347054	/nfs/dbraw/zinc/34/70/54/170347054.db2.gz	ZRHUMCGMJORMPA-UHFFFAOYSA-N	-1	0	297.723	1.743	40	0		CDABRM
Cc1[nH]c(=S)n(-c2ccccc2)c(=O)c1CC(=O)[O-]	ZINC000020156367	171039570	/nfs/dbraw/zinc/03/95/70/171039570.db2.gz	WCCDVGHEJVAWGB-UHFFFAOYSA-N	-1	0	276.317	1.831	40	0		CDABRM
COc1cc(C(=O)[O-])cc(OC)c1OCC(=O)NC(C)C	ZINC000035663156	172342069	/nfs/dbraw/zinc/34/20/69/172342069.db2.gz	WHGSLUBMSDGTKT-UHFFFAOYSA-N	-1	0	297.307	1.305	40	0		CDABRM
C[C@@H]1CC[C@H](C(=O)[O-])[C@H](C)N1Cc1nnn(C(C)(C)C)n1	ZINC000659799140	414129304	/nfs/dbraw/zinc/12/93/04/414129304.db2.gz	YNTUUSUQYSZUJC-VWYCJHECSA-N	-1	0	295.387	1.502	40	0		CDABRM
CC(=O)N1CC[C@@]1(CCCc1ccncc1)C(=O)[O-]	ZINC000072344357	176373268	/nfs/dbraw/zinc/37/32/68/176373268.db2.gz	FKGYHUHKVHMTBX-AWEZNQCLSA-N	-1	0	262.309	1.480	40	0		CDABRM
O=C([O-])[C@@H](Cc1ccncc1)NC(=O)CC1CCOCC1	ZINC000655599142	424154261	/nfs/dbraw/zinc/15/42/61/424154261.db2.gz	KOTZYYQEHZZDDX-CYBMUJFWSA-N	-1	0	292.335	1.010	40	0		CDABRM
O=C([O-])c1cc(NC(=O)[C@H]2CCCCO2)ccc1O	ZINC000050958936	424535101	/nfs/dbraw/zinc/53/51/01/424535101.db2.gz	ZSVGYSXSINDGTG-LLVKDONJSA-N	-1	0	265.265	1.598	40	0		CDABRM
CC(C)(C)C[C@@H]1C[C@H]1NC(=O)c1cnc(C(=O)[O-])cn1	ZINC000652083567	424662526	/nfs/dbraw/zinc/66/25/26/424662526.db2.gz	FJDABSXLNZNFKS-DTWKUNHWSA-N	-1	0	277.324	1.729	40	0		CDABRM
COc1cc(OCCCCC(=O)[O-])ccc1CO	ZINC000002570010	169811233	/nfs/dbraw/zinc/81/12/33/169811233.db2.gz	RHWJMSPTWIEGII-UHFFFAOYSA-N	-1	0	254.282	1.821	40	0		CDABRM
O=S(=O)([N-]c1nncs1)c1cccc2cccnc21	ZINC000027931644	361855217	/nfs/dbraw/zinc/85/52/17/361855217.db2.gz	DCAMHBLTUYUORR-UHFFFAOYSA-N	-1	0	292.345	1.887	40	0		CDABRM
Cc1noc(C)c1C[C@@H](C)C(=O)N1CCCC[C@H]1C(=O)[O-]	ZINC000136535448	539097105	/nfs/dbraw/zinc/09/71/05/539097105.db2.gz	HCXPBHXJTJJOIT-RNCFNFMXSA-N	-1	0	294.351	1.936	40	0		CDABRM
CCOC(=O)c1cc(C(=O)[O-])n(CCC(F)(F)F)n1	ZINC000408717465	365730062	/nfs/dbraw/zinc/73/00/62/365730062.db2.gz	BHXQKFSVYAUREL-UHFFFAOYSA-N	-1	0	280.202	1.710	40	0		CDABRM
NC(=O)c1ccc(-c2ccc(CN=Nc3nnn[n-]3)o2)cc1	ZINC000254385491	342433914	/nfs/dbraw/zinc/43/39/14/342433914.db2.gz	MECKIHJOZZEZLG-UHFFFAOYSA-N	-1	0	297.278	1.005	40	0		CDABRM
Cc1ccc(CN(CC(=O)[O-])[C@H]2CCS(=O)(=O)C2)cc1	ZINC000032176664	347009453	/nfs/dbraw/zinc/00/94/53/347009453.db2.gz	QTPYLXPMONXZHX-ZDUSSCGKSA-N	-1	0	297.376	1.069	40	0		CDABRM
CCOc1ccc([C@H]2OC(=O)C[C@@H]2C(=O)[O-])cc1	ZINC000085394640	179048971	/nfs/dbraw/zinc/04/89/71/179048971.db2.gz	VOUCGEWFTYYPNM-CMPLNLGQSA-N	-1	0	250.250	1.774	40	0		CDABRM
CC(C)(C)OC(=O)N1CCOC[C@@H]1CCC(=O)[O-]	ZINC000090694560	180026007	/nfs/dbraw/zinc/02/60/07/180026007.db2.gz	PNHILSYMESMDIU-VIFPVBQESA-N	-1	0	259.302	1.487	40	0		CDABRM
O=C([O-])CCC1=NS(=O)(=O)c2ccccc2N1	ZINC000026465180	304045958	/nfs/dbraw/zinc/04/59/58/304045958.db2.gz	ZSZXWCIFIBRNAW-UHFFFAOYSA-N	-1	0	254.267	1.064	40	0		CDABRM
COCCCNC(=S)Nc1ccc(C(=O)[O-])cc1	ZINC000002597395	355976957	/nfs/dbraw/zinc/97/69/57/355976957.db2.gz	HUTJALWXCLSVGL-UHFFFAOYSA-N	-1	0	268.338	1.708	40	0		CDABRM
O=C([O-])[C@@H](CC(=O)c1ccc(Cl)cc1)N1CCOCC1	ZINC000003207446	355996522	/nfs/dbraw/zinc/99/65/22/355996522.db2.gz	FPXCVLARBMPLMQ-GFCCVEGCSA-N	-1	0	297.738	1.698	40	0		CDABRM
CS(=O)(=O)N(CC(=O)[O-])Cc1cccc(Cl)c1	ZINC000001743883	355950441	/nfs/dbraw/zinc/95/04/41/355950441.db2.gz	RLVVFZMQKGIKPT-UHFFFAOYSA-N	-1	0	277.729	1.186	40	0		CDABRM
CCOC(=O)c1cc(=O)c2c(OC)ccc(OC)c2[n-]1	ZINC000004353508	356028769	/nfs/dbraw/zinc/02/87/69/356028769.db2.gz	ROYZEZZFHVPLMO-UHFFFAOYSA-N	-1	0	277.276	1.722	40	0		CDABRM
CCn1nccc1CNC(=O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)[O-]	ZINC000036610999	358363949	/nfs/dbraw/zinc/36/39/49/358363949.db2.gz	DQYYBGBZXDGRGT-URBCHYCLSA-N	-1	0	289.335	1.042	40	0		CDABRM
Cc1nn(-c2ncc(Cl)cc2Cl)nc1C(=O)[O-]	ZINC000089262188	358399961	/nfs/dbraw/zinc/39/99/61/358399961.db2.gz	GERNVFWPGIQEOT-UHFFFAOYSA-N	-1	0	273.079	1.976	40	0		CDABRM
O=C([O-])CCC(=O)Nc1cc(-c2ccncc2)c[nH]c1=O	ZINC000004623557	358617509	/nfs/dbraw/zinc/61/75/09/358617509.db2.gz	AGMWXIYHEFRZDQ-UHFFFAOYSA-N	-1	0	287.275	1.240	40	0		CDABRM
O=C([O-])[C@@H]1Cc2[nH]cnc2[C@H](c2ccc(F)c(F)c2)N1	ZINC000096300045	358731882	/nfs/dbraw/zinc/73/18/82/358731882.db2.gz	YVEUDQPFQNWVPS-QWRGUYRKSA-N	-1	0	279.246	1.376	40	0		CDABRM
O=c1nnc(SCc2ccccc2)c2[n-]ncn21	ZINC000104232889	358952143	/nfs/dbraw/zinc/95/21/43/358952143.db2.gz	VWYVOPPJGJDQPX-UHFFFAOYSA-N	-1	0	259.294	1.105	40	0		CDABRM
O=C(Cc1n[nH]c2ccccc21)N[C@H]1C[C@@H](C(=O)[O-])C1	ZINC000263183544	359239743	/nfs/dbraw/zinc/23/97/43/359239743.db2.gz	HQCQAKRVNIUCHH-DTORHVGOSA-N	-1	0	273.292	1.085	40	0		CDABRM
O=C([O-])Cc1cnc(C2(c3ccccc3)CC2)[nH]c1=O	ZINC000225316052	359576080	/nfs/dbraw/zinc/57/60/80/359576080.db2.gz	YDGGJRXUWCGUMU-UHFFFAOYSA-N	-1	0	270.288	1.477	40	0		CDABRM
Nc1cccc(OCc2ncc(C(=O)[O-])c(=O)[nH]2)c1	ZINC000226104224	359647165	/nfs/dbraw/zinc/64/71/65/359647165.db2.gz	JWJVPGLQMUAHCK-UHFFFAOYSA-N	-1	0	261.237	1.042	40	0		CDABRM
Cc1nc2ccccc2c(=O)n1[N-]C(=O)c1ccco1	ZINC000000192313	361633320	/nfs/dbraw/zinc/63/33/20/361633320.db2.gz	RPARYZMFFVFFIG-UHFFFAOYSA-N	-1	0	269.260	1.682	40	0		CDABRM
CCn1cc(CNC(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C(=O)[O-])cn1	ZINC000002597281	363875045	/nfs/dbraw/zinc/87/50/45/363875045.db2.gz	KENCYZMUXJVQSQ-VOAKCMCISA-N	-1	0	291.351	1.266	40	0		CDABRM
Cc1nc(CC(=O)Nc2ccc(F)cc2)ncc1C(=O)[O-]	ZINC000217354979	189709050	/nfs/dbraw/zinc/70/90/50/189709050.db2.gz	HRAZFVJOQWUKTL-UHFFFAOYSA-N	-1	0	289.266	1.804	40	0		CDABRM
CCc1cc(S(C)(=O)=O)ccc1OCC(=O)[O-]	ZINC000218302821	365418354	/nfs/dbraw/zinc/41/83/54/365418354.db2.gz	IQKBNAUAIZEPCV-UHFFFAOYSA-N	-1	0	258.295	1.116	40	0		CDABRM
O=C([O-])c1ccccc1NC(=S)NC[C@@H]1CCCO1	ZINC000225154513	189744751	/nfs/dbraw/zinc/74/47/51/189744751.db2.gz	ZSSQQCOTUQSUFI-VIFPVBQESA-N	-1	0	280.349	1.850	40	0		CDABRM
O=C([O-])c1cccc(C(=O)NCC(=O)N2CCCCC2)c1	ZINC000134433685	369555073	/nfs/dbraw/zinc/55/50/73/369555073.db2.gz	PFGMXSHMDVNPAE-UHFFFAOYSA-N	-1	0	290.319	1.127	40	0		CDABRM
C[C@@H]1CCCN(C(=O)CC[C@H]2CCCO2)[C@H]1C(=O)[O-]	ZINC000300269500	370241258	/nfs/dbraw/zinc/24/12/58/370241258.db2.gz	DBSZVZHUMDMSIN-NQBHXWOUSA-N	-1	0	269.341	1.657	40	0		CDABRM
O=C([O-])c1cccn(Cc2ccc3c(c2)OCO3)c1=O	ZINC000049866646	370523894	/nfs/dbraw/zinc/52/38/94/370523894.db2.gz	JOIHCRMEIUMITE-UHFFFAOYSA-N	-1	0	273.244	1.324	40	0		CDABRM
O=C([O-])[C@H]1CCCN(c2cc(C(F)(F)F)ncn2)C1	ZINC000096516845	304184049	/nfs/dbraw/zinc/18/40/49/304184049.db2.gz	FORYNTCZPVSUOU-ZETCQYMHSA-N	-1	0	275.230	1.796	40	0		CDABRM
C[C@]1(O)CC[C@@H](C(=O)[O-])[N@H+](Cc2ccsc2)C1	ZINC000306125107	374968459	/nfs/dbraw/zinc/96/84/59/374968459.db2.gz	CHBZIJPBCBDBPC-JQWIXIFHSA-N	-1	0	255.339	1.548	40	0		CDABRM
CC(C)(C)OC(=O)NC1(C(=O)[O-])CCC2(COC2)CC1	ZINC000306145342	374972876	/nfs/dbraw/zinc/97/28/76/374972876.db2.gz	CBNRZUGMDWHRQJ-UHFFFAOYSA-N	-1	0	285.340	1.925	40	0		CDABRM
C[C@H](NS(=O)(=O)c1ccc(C(=O)[O-])cc1)c1ccon1	ZINC000225586839	375166772	/nfs/dbraw/zinc/16/67/72/375166772.db2.gz	OSJNSNWHVSFHIL-QMMMGPOBSA-N	-1	0	296.304	1.412	40	0		CDABRM
C[C@@H](C[P@](=O)([O-])[C@H]([NH3+])c1ccccc1)C(=O)[O-]	ZINC000004089260	184531363	/nfs/dbraw/zinc/53/13/63/184531363.db2.gz	GEUNIZYETRAGHZ-WPRPVWTQSA-N	-1	0	257.226	1.635	40	0		CDABRM
O=C([O-])[C@@H]1CCN(c2nc(C3CC3)nc3c2CCC3)C1	ZINC000096516976	390531663	/nfs/dbraw/zinc/53/16/63/390531663.db2.gz	DCSBYYKQXHJMAM-SNVBAGLBSA-N	-1	0	273.336	1.754	40	0		CDABRM
Cc1nc2ccccc2c(-n2ccc(C(=O)[O-])n2)n1	ZINC000096517389	390532851	/nfs/dbraw/zinc/53/28/51/390532851.db2.gz	APVREHUHUHRVCS-UHFFFAOYSA-N	-1	0	254.249	1.822	40	0		CDABRM
CC1=C(C(=O)[O-])Sc2nnc(CC(C)C)n2N1	ZINC000011729768	390908658	/nfs/dbraw/zinc/90/86/58/390908658.db2.gz	QOFWOZFQMHGGPR-QMMMGPOBSA-N	-1	0	254.315	1.260	40	0		CDABRM
O=C([O-])c1nn(-c2ccccc2)nc1C(F)(F)F	ZINC000089261911	304284792	/nfs/dbraw/zinc/28/47/92/304284792.db2.gz	SJCPXKUVGUEBON-UHFFFAOYSA-N	-1	0	257.171	1.984	40	0		CDABRM
O=C([O-])c1nn(-c2ccccc2)nc1Br	ZINC000089261931	304284816	/nfs/dbraw/zinc/28/48/16/304284816.db2.gz	APJUGTPWDRFXEN-UHFFFAOYSA-N	-1	0	268.070	1.728	40	0		CDABRM
O=C([O-])C1CCN(C(=S)NC(=O)C2CCCCC2)CC1	ZINC000226357280	130825615	/nfs/dbraw/zinc/82/56/15/130825615.db2.gz	KPTKGBVVTPSWJW-UHFFFAOYSA-N	-1	0	298.408	1.764	40	0		CDABRM
O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@@H]1C(=O)NCc1ccco1	ZINC000004124244	169935820	/nfs/dbraw/zinc/93/58/20/169935820.db2.gz	HCQDWAKIDFCJKE-QCZKYFFMSA-N	-1	0	261.277	1.419	40	0		CDABRM
CCOc1ccc(/C=C2/NC(=O)N(CC(=O)[O-])C2=O)cc1	ZINC000005018779	170055983	/nfs/dbraw/zinc/05/59/83/170055983.db2.gz	KSAXIDSFRQZZMJ-YRNVUSSQSA-N	-1	0	290.275	1.063	40	0		CDABRM
C[C@@H]1c2c(cc(=O)[nH]c2[O-])C(=O)N1Cc1ccccc1	ZINC000005503491	170105085	/nfs/dbraw/zinc/10/50/85/170105085.db2.gz	PVWZNLSEAJMBLV-SECBINFHSA-N	-1	0	270.288	1.798	40	0		CDABRM
N[C@H](Cc1ccc(C(=O)[O-])cc1)C(=O)OCc1ccccc1	ZINC000078171725	177325655	/nfs/dbraw/zinc/32/56/55/177325655.db2.gz	YIVHEQDNFAVXIP-OAHLLOKOSA-N	-1	0	299.326	1.998	40	0		CDABRM
O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)c1cscn1	ZINC000062354099	262412128	/nfs/dbraw/zinc/41/21/28/262412128.db2.gz	WGTNEAAZNPKGNP-LBPRGKRZSA-N	-1	0	288.328	1.795	40	0		CDABRM
Cc1ccccc1[C@@H]1N[C@H](C(=O)[O-])Cc2[nH]cnc21	ZINC000005818619	302168960	/nfs/dbraw/zinc/16/89/60/302168960.db2.gz	CXOWHMVJZDSFAU-RYUDHWBXSA-N	-1	0	257.293	1.406	40	0		CDABRM
CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](C(=O)[O-])SC1	ZINC000225800149	333182586	/nfs/dbraw/zinc/18/25/86/333182586.db2.gz	IILRBGGJIHLPTL-SFYZADRCSA-N	-1	0	261.343	1.860	40	0		CDABRM
O=C([O-])[C@H]1CC[C@H]2CN1C(=O)N2OCc1ccccc1	ZINC000114990061	1174913579	/nfs/dbraw/zinc/91/35/79/1174913579.db2.gz	UMHGLONVYIYIOU-NWDGAFQWSA-N	-1	0	276.292	1.471	40	0		CDABRM
CC1(Cn2[n-]c(=O)c(Cl)c(Cl)c2=O)COC1	ZINC000918243947	632348303	/nfs/dbraw/zinc/34/83/03/632348303.db2.gz	PSEAPEDAKYODQW-UHFFFAOYSA-N	-1	0	265.096	1.292	40	0		CDABRM
Cc1n[nH]c(SC(=Cc2ccco2)C(=O)[O-])n1	ZINC000006588349	342000082	/nfs/dbraw/zinc/00/00/82/342000082.db2.gz	GRDVALHBYXWZCU-YVMONPNESA-N	-1	0	251.267	1.924	40	0		CDABRM
Cc1ccc(S(=O)(=O)N(C)[C@H](C)C(=O)[O-])c(F)c1F	ZINC000629300040	361822857	/nfs/dbraw/zinc/82/28/57/361822857.db2.gz	BZVQPACKMXMKHE-SSDOTTSWSA-N	-1	0	293.291	1.367	40	0		CDABRM
CCCC[C@@H](CC)CNC(=O)[C@@H]1[C@@H](C(=O)[O-])[C@H]2C=C[C@@H]1O2	ZINC000169700399	361827893	/nfs/dbraw/zinc/82/78/93/361827893.db2.gz	ZSKVQAPLQMBJCD-BJJPWKGXSA-N	-1	0	295.379	1.973	40	0		CDABRM
O=C([O-])[C@H]1CCN(c2cc(-c3ccncc3)[nH]n2)C1	ZINC000096517191	342165791	/nfs/dbraw/zinc/16/57/91/342165791.db2.gz	KUYAQAJGIWGFCE-JTQLQIEISA-N	-1	0	258.281	1.383	40	0		CDABRM
Nc1nn(Cc2cccc(Br)c2)cc1C(=O)[O-]	ZINC000408716637	365728844	/nfs/dbraw/zinc/72/88/44/365728844.db2.gz	PATYPXYDXSIDMN-UHFFFAOYSA-N	-1	0	296.124	1.805	40	0		CDABRM
C[C@@H]1CC[C@@H]2C(C(=O)[O-])=C[C@]3(O)[C@H](O)C(C)(C)C[C@]123	ZINC000604381337	344886430	/nfs/dbraw/zinc/88/64/30/344886430.db2.gz	JNCGMAOIGAQWEQ-VTKTVLEHSA-N	-1	0	266.337	1.565	40	0	biogenic,in-vitro	CDABRM
O=C([O-])[C@@H]1C[C@@H](C(=O)[O-])[NH2+][C@@H]1c1ccc(Cl)cc1	ZINC000016082723	346071808	/nfs/dbraw/zinc/07/18/08/346071808.db2.gz	MMUGORBTGPYPOV-KXUCPTDWSA-N	-1	0	269.684	1.528	40	0		CDABRM
CCCNc1nn(-c2cccc(OC)c2)nc1C(=O)[O-]	ZINC000256048105	350908087	/nfs/dbraw/zinc/90/80/87/350908087.db2.gz	QUAIDMBEKHQTSN-UHFFFAOYSA-N	-1	0	276.296	1.796	40	0		CDABRM
CNc1nn(-c2ccc(Br)cc2)nc1C(=O)[O-]	ZINC000256045966	350908330	/nfs/dbraw/zinc/90/83/30/350908330.db2.gz	BZSLFIDQJBZVQH-UHFFFAOYSA-N	-1	0	297.112	1.770	40	0		CDABRM
Cc1ccccc1-n1nc(C(=O)[O-])c(N2CCCC2)n1	ZINC000256048410	350908823	/nfs/dbraw/zinc/90/88/23/350908823.db2.gz	STQIVLZTHOYOCM-UHFFFAOYSA-N	-1	0	272.308	1.874	40	0		CDABRM
CC(=O)NCCc1nc(-c2nc(C(=O)[O-])cs2)cs1	ZINC000001564880	355940007	/nfs/dbraw/zinc/94/00/07/355940007.db2.gz	XSOXMYHZZZEMME-UHFFFAOYSA-N	-1	0	297.361	1.643	40	0		CDABRM
O=C1[N-]C(=O)N2CCS[C@]2(Cc2ccccc2)N1	ZINC000001674774	355946317	/nfs/dbraw/zinc/94/63/17/355946317.db2.gz	XSJIJLNGXJAIKK-GFCCVEGCSA-N	-1	0	263.322	1.365	40	0		CDABRM
O=C([O-])CCc1nc2nccc(-c3ccccc3)n2n1	ZINC000012399049	356297917	/nfs/dbraw/zinc/29/79/17/356297917.db2.gz	ZMUHFYGMGXLHDQ-UHFFFAOYSA-N	-1	0	268.276	1.809	40	0		CDABRM
COc1ccc(OC)c([C@@H](C)NC(=O)CCC(=O)[O-])c1	ZINC000032610388	356312079	/nfs/dbraw/zinc/31/20/79/356312079.db2.gz	OWWAFWAXCLBUEV-SECBINFHSA-N	-1	0	281.308	1.746	40	0		CDABRM
O=C([O-])[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C(=O)NC[C@@H]1CCCO1	ZINC000015746637	356423382	/nfs/dbraw/zinc/42/33/82/356423382.db2.gz	QZJPDCZBYMDOCY-OSUNSFLBSA-N	-1	0	267.325	1.029	40	0		CDABRM
CN1C(=O)CC[C@H](C(=O)[O-])[C@H]1c1ccccc1F	ZINC000057340868	357355880	/nfs/dbraw/zinc/35/58/80/357355880.db2.gz	PMICKYWJHZAXMR-JOYOIKCWSA-N	-1	0	251.257	1.820	40	0		CDABRM
Cc1ccc(C)c(C[C@H](C(=O)[O-])N2CCOCC2)c1	ZINC000057550748	357360574	/nfs/dbraw/zinc/36/05/74/357360574.db2.gz	MOVCMQLVDWNMKL-CQSZACIVSA-N	-1	0	263.337	1.631	40	0		CDABRM
CC1(C)Cc2cc(C=C3C(=O)[N-]C(=O)NC3=O)ccc2O1	ZINC000010298650	366423559	/nfs/dbraw/zinc/42/35/59/366423559.db2.gz	CSVXGYPFEBVMNA-UHFFFAOYSA-N	-1	0	286.287	1.150	40	0		CDABRM
Nc1nn(-c2ccc(Cl)cc2Cl)nc1C(=O)[O-]	ZINC000089263384	358400665	/nfs/dbraw/zinc/40/06/65/358400665.db2.gz	WNFWPEOSKWNWBM-UHFFFAOYSA-N	-1	0	273.079	1.855	40	0		CDABRM
CCc1nc2n(n1)[C@H](c1ccncc1)CC(C(=O)[O-])=N2	ZINC000102334211	358875882	/nfs/dbraw/zinc/87/58/82/358875882.db2.gz	NGDQKBXUTCFUBK-JTQLQIEISA-N	-1	0	271.280	1.219	40	0		CDABRM
Cc1cccc(NC(=O)Cc2ncc(C(=O)[O-])c(C)n2)c1	ZINC000217354576	358995440	/nfs/dbraw/zinc/99/54/40/358995440.db2.gz	UFJONYPIZKAFEK-UHFFFAOYSA-N	-1	0	285.303	1.973	40	0		CDABRM
CC[C@H](C)Nc1ccc(C(=O)[O-])cc1S(=O)(=O)NC	ZINC000217405681	358999030	/nfs/dbraw/zinc/99/90/30/358999030.db2.gz	SEZQCZKTVRCSLQ-QMMMGPOBSA-N	-1	0	286.353	1.503	40	0		CDABRM
COc1ccc(Cl)cc1C[C@@H](C(=O)[O-])N1CCOCC1	ZINC000225149309	359552689	/nfs/dbraw/zinc/55/26/89/359552689.db2.gz	ZLZPOAMDKCRWQT-LBPRGKRZSA-N	-1	0	299.754	1.677	40	0		CDABRM
CSc1[nH]c(=O)nc2c1[nH]c(=O)n2-c1ccccc1	ZINC000011612625	359604416	/nfs/dbraw/zinc/60/44/16/359604416.db2.gz	NYKJWEIFUIQPFI-UHFFFAOYSA-N	-1	0	274.305	1.124	40	0		CDABRM
O=C([N-]S(=O)(=O)c1ccsc1)[C@@H]1C[C@H]1C1CCC1	ZINC000408494158	359858602	/nfs/dbraw/zinc/85/86/02/359858602.db2.gz	BXZYMRXIGQDLFP-WDEREUQCSA-N	-1	0	285.390	1.989	40	0		CDABRM
CC(C)(C)OC(=O)N[C@H](C(=O)[O-])[C@H](O)c1cccnc1	ZINC000036040086	360168468	/nfs/dbraw/zinc/16/84/68/360168468.db2.gz	PNSCHUZTRIEPGK-VHSXEESVSA-N	-1	0	282.296	1.093	40	0		CDABRM
COc1ccc(-c2nnc([N-]S(C)(=O)=O)s2)cc1	ZINC000130237933	360931188	/nfs/dbraw/zinc/93/11/88/360931188.db2.gz	FPHQYOVQEUVFRC-UHFFFAOYSA-N	-1	0	285.350	1.585	40	0		CDABRM
CC(=O)Nc1ccccc1OCc1ncc(C(=O)[O-])cn1	ZINC000217379650	189709727	/nfs/dbraw/zinc/70/97/27/189709727.db2.gz	QLANPSUREIRSPT-UHFFFAOYSA-N	-1	0	287.275	1.712	40	0		CDABRM
COc1c(=O)n(C)c(C)c(Br)c1C(=O)[O-]	ZINC000218311266	365434459	/nfs/dbraw/zinc/43/44/59/365434459.db2.gz	ZGLVKYWVAVBXFG-UHFFFAOYSA-N	-1	0	276.086	1.163	40	0		CDABRM
COc1ccc(Br)c(CO)c1OCC(=O)[O-]	ZINC000095094785	374867881	/nfs/dbraw/zinc/86/78/81/374867881.db2.gz	NBUWEEWNCNTLEL-UHFFFAOYSA-N	-1	0	291.097	1.413	40	0		CDABRM
O=C([O-])[C@H]1CSCCN1C(=O)OCc1ccccc1	ZINC000002527118	375191895	/nfs/dbraw/zinc/19/18/95/375191895.db2.gz	HMXFICHATDLTHT-LLVKDONJSA-N	-1	0	281.333	1.825	40	0		CDABRM
CS(=O)(=O)[C@@H]1[C@@H](c2ccc(F)cc2)[C@H]1C(=O)[O-]	ZINC000218395268	375826906	/nfs/dbraw/zinc/82/69/06/375826906.db2.gz	PZNYIXZVPPJWHX-IVZWLZJFSA-N	-1	0	258.270	1.037	40	0		CDABRM
O=C([O-])c1ccc(I)c(F)c1O	ZINC000097437899	304245718	/nfs/dbraw/zinc/24/57/18/304245718.db2.gz	ZFVRDSNMPBGZGI-UHFFFAOYSA-N	-1	0	282.008	1.834	40	0		CDABRM
O=C([O-])c1ccccc1[C@H]1NC2(CCCC2)NC1=O	ZINC000090661505	304271794	/nfs/dbraw/zinc/27/17/94/304271794.db2.gz	KKLJBFWRWGZKQD-LLVKDONJSA-N	-1	0	260.293	1.416	40	0		CDABRM
O=C([O-])C1CCN(C2=NCC(=O)N2c2ccccc2)CC1	ZINC000096517169	390531378	/nfs/dbraw/zinc/53/13/78/390531378.db2.gz	PBMTTXWJPGPEPG-UHFFFAOYSA-N	-1	0	287.319	1.186	40	0		CDABRM
Cc1cc(C)n2nc(N3CCC(C(=O)[O-])CC3)nc2n1	ZINC000096517019	390531460	/nfs/dbraw/zinc/53/14/60/390531460.db2.gz	LCACDSPLOSGQNM-UHFFFAOYSA-N	-1	0	275.312	1.042	40	0		CDABRM
CCOC(=O)c1oc2ccccc2c1[N-]S(C)(=O)=O	ZINC000062710805	391014243	/nfs/dbraw/zinc/01/42/43/391014243.db2.gz	HGNMLDHDDCLHPS-UHFFFAOYSA-N	-1	0	283.305	1.981	40	0		CDABRM
O=C([O-])c1nn(-c2ccc(F)cc2)nc1Br	ZINC000089263425	304284474	/nfs/dbraw/zinc/28/44/74/304284474.db2.gz	IAGVKDBFWKZRAG-UHFFFAOYSA-N	-1	0	286.060	1.867	40	0		CDABRM
Cc1cc(C(=O)[O-])nn1Cn1nc(C)c(Cl)c1C	ZINC000062701460	391556991	/nfs/dbraw/zinc/55/69/91/391556991.db2.gz	LJULOIDUVNIZGC-UHFFFAOYSA-N	-1	0	268.704	1.862	40	0		CDABRM
CCCN(CC(=O)[O-])S(=O)(=O)c1cccc(F)c1C	ZINC000262422350	391783958	/nfs/dbraw/zinc/78/39/58/391783958.db2.gz	NFIVNTSJTDPDIB-UHFFFAOYSA-N	-1	0	289.328	1.619	40	0		CDABRM
Cc1ncsc1C(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1	ZINC000262348248	131213770	/nfs/dbraw/zinc/21/37/70/131213770.db2.gz	FIOCGULVKIILNE-SECBINFHSA-N	-1	0	280.349	1.778	40	0		CDABRM
Cc1cc(C[C@H](C)NC(=O)c2cccc(C(=O)[O-])c2)[nH]n1	ZINC000263383295	131291299	/nfs/dbraw/zinc/29/12/99/131291299.db2.gz	CCRJWTSHUDDXPE-VIFPVBQESA-N	-1	0	287.319	1.777	40	0		CDABRM
CSCC[C@@H](NC(=O)c1cccs1)C(=O)[O-]	ZINC000005527654	170109006	/nfs/dbraw/zinc/10/90/06/170109006.db2.gz	GTPDHYQKBSCXAP-SSDOTTSWSA-N	-1	0	259.352	1.684	40	0		CDABRM
COc1ccc(OC)c(CN2C[C@@H](C(=O)[O-])CC2=O)c1	ZINC000008016298	170313525	/nfs/dbraw/zinc/31/35/25/170313525.db2.gz	RPKBHOLUYKNYTG-JTQLQIEISA-N	-1	0	279.292	1.137	40	0		CDABRM
COC(=O)[C@H]1C[C@H](C(=O)[O-])[C@H](c2cccc(F)c2)N1C	ZINC000008730138	170350768	/nfs/dbraw/zinc/35/07/68/170350768.db2.gz	ZWNXMFQONCRUGL-TUAOUCFPSA-N	-1	0	281.283	1.445	40	0		CDABRM
CC(C)(C)OC(=O)[C@H](C(=O)[O-])c1ccc(N)cc1	ZINC000071186789	176060343	/nfs/dbraw/zinc/06/03/43/176060343.db2.gz	DBJSSLLPAQXMFN-JTQLQIEISA-N	-1	0	251.282	1.779	40	0		CDABRM
CC(C)(C)OC(=O)N1CC2(C1)OC[C@@H]2CC(=O)[O-]	ZINC000306145712	278380356	/nfs/dbraw/zinc/38/03/56/278380356.db2.gz	OHRXLVRTNYFMIQ-QMMMGPOBSA-N	-1	0	257.286	1.097	40	0		CDABRM
Cc1cccnc1-n1c(=O)[nH]c2cc(C(=O)[O-])ccc2c1=O	ZINC000408712749	302230095	/nfs/dbraw/zinc/23/00/95/302230095.db2.gz	NDNROXBFVTYQPV-UHFFFAOYSA-N	-1	0	297.270	1.493	40	0		CDABRM
CC(=O)CCC/C=C/[C@@H]1C[C@H](O)C[C@H]1[C@H](O)/C=C/C(=O)[O-]	ZINC000107434307	1159539469	/nfs/dbraw/zinc/53/94/69/1159539469.db2.gz	XOBLMJHTXIQOHS-DGJDTJECSA-N	-1	0	296.363	1.691	40	0	biogenic,in-vitro	CDABRM
Cc1nccc(C(=O)N(CCC(=O)[O-])CC2CC2)n1	ZINC000675970136	483388347	/nfs/dbraw/zinc/38/83/47/483388347.db2.gz	HORCOLROBDHHAO-UHFFFAOYSA-N	-1	0	263.297	1.112	40	0		CDABRM
CC(C)CC1(CC(C)C)CC(=O)N(CC(=O)[O-])C1=O	ZINC000064876048	519624084	/nfs/dbraw/zinc/62/40/84/519624084.db2.gz	QQSANFZQEQBMMC-UHFFFAOYSA-N	-1	0	269.341	1.909	40	0		CDABRM
O=C([O-])[C@@H]1CS[C@@H](Cc2ccc(F)cc2F)C(=O)N1	ZINC000062712314	526288754	/nfs/dbraw/zinc/28/87/54/526288754.db2.gz	VFNNZEFSYFJOHX-UWVGGRQHSA-N	-1	0	287.287	1.192	40	0		CDABRM
O=C([O-])c1cn2c3c(cc(F)c(F)c3OCC2)c1=O	ZINC000146710018	341998412	/nfs/dbraw/zinc/99/84/12/341998412.db2.gz	OJIZTPGZLUBDAD-UHFFFAOYSA-N	-1	0	267.187	1.370	40	0		CDABRM
Cc1ccc(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])c(F)c1F	ZINC000629300042	361822435	/nfs/dbraw/zinc/82/24/35/361822435.db2.gz	BZVQPACKMXMKHE-ZETCQYMHSA-N	-1	0	293.291	1.367	40	0		CDABRM
O=C([O-])c1ncn2cc(-c3ccccc3)[nH]c(=O)c12	ZINC000096516402	342165850	/nfs/dbraw/zinc/16/58/50/342165850.db2.gz	MUGJFZGHBIMVTA-UHFFFAOYSA-N	-1	0	255.233	1.388	40	0		CDABRM
Cc1cccc(C(=O)N2CCOC[C@@H]2CC(=O)[O-])c1Cl	ZINC000160254788	362405058	/nfs/dbraw/zinc/40/50/58/362405058.db2.gz	FPVVSRPYFUJQFJ-JTQLQIEISA-N	-1	0	297.738	1.964	40	0		CDABRM
COc1ccc(-c2nn(CC(=O)[O-])c(=O)cc2OC)cc1	ZINC000085398447	179050519	/nfs/dbraw/zinc/05/05/19/179050519.db2.gz	BFFCVDIXUKKBCJ-UHFFFAOYSA-N	-1	0	290.275	1.012	40	0		CDABRM
CCCC[C@H](NC(=O)OC(C)(C)C)[C@@H](O)CC(=O)[O-]	ZINC000059723811	348740251	/nfs/dbraw/zinc/74/02/51/348740251.db2.gz	SXJYRMZSGGQNDY-UWVGGRQHSA-N	-1	0	275.345	1.906	40	0		CDABRM
Cc1cc(C(=O)[O-])c(=O)n(-c2cccc(Cl)c2)n1	ZINC000089263261	179762622	/nfs/dbraw/zinc/76/26/22/179762622.db2.gz	JKTLYVSWZDXDLL-UHFFFAOYSA-N	-1	0	264.668	1.893	40	0		CDABRM
COc1ccccc1-c1ccc(=O)n(CC(=O)[O-])n1	ZINC000061966085	362958515	/nfs/dbraw/zinc/95/85/15/362958515.db2.gz	RRDLGCHGHMPJCZ-UHFFFAOYSA-N	-1	0	260.249	1.004	40	0		CDABRM
CCOc1ccc(-n2nc(NC)c(C(=O)[O-])n2)cc1	ZINC000256046161	350908131	/nfs/dbraw/zinc/90/81/31/350908131.db2.gz	DFBFSFHDZYDGOR-UHFFFAOYSA-N	-1	0	262.269	1.406	40	0		CDABRM
CC(C)NC(=S)Nc1cc(C(=O)[O-])ccc1O	ZINC000408550230	355987285	/nfs/dbraw/zinc/98/72/85/355987285.db2.gz	DZSFRPBOGCQAPA-UHFFFAOYSA-N	-1	0	254.311	1.785	40	0		CDABRM
CCc1nn([C@@H](C)C(=O)[O-])c(=O)c2cc3ccsc3n21	ZINC000012114263	356288382	/nfs/dbraw/zinc/28/83/82/356288382.db2.gz	ARPITJJILXSBMU-ZETCQYMHSA-N	-1	0	291.332	1.919	40	0		CDABRM
O=C([O-])COc1ccc(S(=O)(=O)NC2CCCC2)cc1	ZINC000036969610	356299187	/nfs/dbraw/zinc/29/91/87/356299187.db2.gz	ZJROUVISMBRYLO-UHFFFAOYSA-N	-1	0	299.348	1.371	40	0		CDABRM
CO[N-]C(=O)C(=O)Nc1ccccc1C(F)(F)F	ZINC000134755053	356392700	/nfs/dbraw/zinc/39/27/00/356392700.db2.gz	BNMMZUBWPFUDIP-UHFFFAOYSA-N	-1	0	262.187	1.322	40	0		CDABRM
CN1c2ccccc2C(=O)[C@]2(C)[C@H](C(=O)[O-])[C@@H]2C1=O	ZINC000019576503	356492471	/nfs/dbraw/zinc/49/24/71/356492471.db2.gz	NGYMNLIXNZEALL-BFVZDQMLSA-N	-1	0	259.261	1.183	40	0		CDABRM
Nc1nc(=S)[n-]c(N2CCc3ccccc3C2)n1	ZINC000020533703	356547005	/nfs/dbraw/zinc/54/70/05/356547005.db2.gz	VPAWCWBBTKSVQZ-UHFFFAOYSA-N	-1	0	259.338	1.679	40	0		CDABRM
CN1C(=O)S/C(=C\c2ccccc2OCC(=O)[O-])C1=O	ZINC000408816787	363526466	/nfs/dbraw/zinc/52/64/66/363526466.db2.gz	UOZJZLUXLBXZAH-POHAHGRESA-N	-1	0	293.300	1.816	40	0		CDABRM
CCN(CC)c1ccc(C(=O)[O-])cc1S(=O)(=O)NC	ZINC000036720841	356878528	/nfs/dbraw/zinc/87/85/28/356878528.db2.gz	PVMQSPGNMHEZAL-UHFFFAOYSA-N	-1	0	286.353	1.139	40	0		CDABRM
O=C([O-])[C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C(=O)NCCCn1ccnc1	ZINC000013147278	366450943	/nfs/dbraw/zinc/45/09/43/366450943.db2.gz	QHIQFAKVHWJIMJ-QNWHQSFQSA-N	-1	0	291.351	1.136	40	0		CDABRM
O=C([O-])[C@@H]1[C@@H](C(=O)NCCc2ccccc2)[C@H]2CC[C@@H]1O2	ZINC000003863338	358554769	/nfs/dbraw/zinc/55/47/69/358554769.db2.gz	QNMKUAYWBNBHJI-RFGFWPKPSA-N	-1	0	289.331	1.224	40	0		CDABRM
O=C([O-])CCc1cnc(COc2ccccc2)[nH]c1=O	ZINC000223442534	359427033	/nfs/dbraw/zinc/42/70/33/359427033.db2.gz	TZWALYXNTFLBQY-UHFFFAOYSA-N	-1	0	274.276	1.366	40	0		CDABRM
O=C([O-])Cc1ccc(N2C(=O)[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2=O)cc1	ZINC000004904863	304089287	/nfs/dbraw/zinc/08/92/87/304089287.db2.gz	YXCSCYFTUQFQGM-HGSJOUDDSA-N	-1	0	299.326	1.849	40	0		CDABRM
O=C([O-])c1ccccc1NC(=S)NC[C@H]1CCCO1	ZINC000225154544	189744643	/nfs/dbraw/zinc/74/46/43/189744643.db2.gz	ZSSQQCOTUQSUFI-SECBINFHSA-N	-1	0	280.349	1.850	40	0		CDABRM
Cc1cc(CN(C)C(=O)c2cccc(C(=O)[O-])c2)no1	ZINC000225445496	189751738	/nfs/dbraw/zinc/75/17/38/189751738.db2.gz	FYCQMCFCNHEHFC-UHFFFAOYSA-N	-1	0	274.276	1.953	40	0		CDABRM
O=C([O-])[C@@H]1COc2ccc(Br)cc2C1=O	ZINC000101324996	304136459	/nfs/dbraw/zinc/13/64/59/304136459.db2.gz	MLWOYGMPCLJQGY-SSDOTTSWSA-N	-1	0	271.066	1.725	40	0		CDABRM
CC(=O)c1cc(C(=O)[O-])c(=O)n(-c2cc(C)cc(C)c2)n1	ZINC000225965965	189768281	/nfs/dbraw/zinc/76/82/81/189768281.db2.gz	SAOMVDBGYRMBFE-UHFFFAOYSA-N	-1	0	286.287	1.750	40	0		CDABRM
CCCn1cc([C@H]2[C@@H](C(=O)[O-])CCC(=O)N2C)cn1	ZINC000096515708	390532706	/nfs/dbraw/zinc/53/27/06/390532706.db2.gz	FRMNCPAELBJXCG-JQWIXIFHSA-N	-1	0	265.313	1.287	40	0		CDABRM
CS(=O)(=O)[C@@H]1[C@@H](C(=O)[O-])[C@@H]1c1cccc(Cl)c1	ZINC000218352930	130768661	/nfs/dbraw/zinc/76/86/61/130768661.db2.gz	NMSBOUCCONIQTC-GUBZILKMSA-N	-1	0	274.725	1.551	40	0		CDABRM
CN(Cc1ccccc1)S(=O)(=O)C(C)(C)C(=O)[O-]	ZINC000062702119	392801223	/nfs/dbraw/zinc/80/12/23/392801223.db2.gz	NPQPLFYILUZJMP-UHFFFAOYSA-N	-1	0	271.338	1.311	40	0		CDABRM
C[C@@H](O)/C=C/[C@H]1OC(=O)C[C@H]1Nc1ccc(C(=O)[O-])cc1	ZINC000005141660	170070370	/nfs/dbraw/zinc/07/03/70/170070370.db2.gz	IZSWILLJDXDGDJ-VGQMHCHLSA-N	-1	0	291.303	1.418	40	0	biogenic,in-vitro	CDABRM
O=C([O-])[C@@H]1[C@@H](C(=O)Nc2cccc(Cl)c2)[C@H]2C=C[C@@H]1O2	ZINC000005344285	170087621	/nfs/dbraw/zinc/08/76/21/170087621.db2.gz	MUCYWRUWPNJXHN-RHYQMDGZSA-N	-1	0	293.706	1.933	40	0		CDABRM
CC(C)[C@@H](NC(=O)c1cnc2ccccc2n1)C(=O)[O-]	ZINC000005457699	170100890	/nfs/dbraw/zinc/10/08/90/170100890.db2.gz	UKQIEFFVACMBGT-GFCCVEGCSA-N	-1	0	273.292	1.469	40	0		CDABRM
CCCOc1ccc(Cn2c(=O)cc([O-])[nH]c2=S)cc1	ZINC000005793647	170140841	/nfs/dbraw/zinc/14/08/41/170140841.db2.gz	HYDLKOOPKDXZSD-UHFFFAOYSA-N	-1	0	292.360	1.609	40	0		CDABRM
C[C@H](NC(=O)c1ccccc1NC(=O)C(C)(C)C)C(=O)[O-]	ZINC000005880840	170149955	/nfs/dbraw/zinc/14/99/55/170149955.db2.gz	KZOCUTIHGALKKF-VIFPVBQESA-N	-1	0	292.335	1.874	40	0		CDABRM
Cc1cccc(-c2nc(C)c(CC(=O)[O-])c(=O)[nH]2)c1	ZINC000020156523	171039373	/nfs/dbraw/zinc/03/93/73/171039373.db2.gz	ARDLYJXTCUZYSR-UHFFFAOYSA-N	-1	0	258.277	1.681	40	0		CDABRM
CCOC(=O)CC(C(=O)OCC)=C([O-])c1cccnc1	ZINC000022058920	171351713	/nfs/dbraw/zinc/35/17/13/171351713.db2.gz	QXXITRIGTFCJBO-NSHDSACASA-N	-1	0	279.292	1.397	40	0	in-vitro	CDABRM
C/C(CO)=C1/CC[C@@]23CO[C@@H](C2)[C@@](O)(C(=O)[O-])CC[C@@H]13	ZINC000031156136	171631605	/nfs/dbraw/zinc/63/16/05/171631605.db2.gz	QYINOGPWFQBOJX-PDDLYSAOSA-N	-1	0	282.336	1.090	40	0	biogenic,in-vitro	CDABRM
COc1cc(OC)c([C@H]2C[C@@H]2C(=O)[O-])c(OC)c1	ZINC000037381124	173167938	/nfs/dbraw/zinc/16/79/38/173167938.db2.gz	OBSYFNQMPARXGE-IUCAKERBSA-N	-1	0	252.266	1.901	40	0		CDABRM
O=C([O-])Cn1cc(NC(=O)CCc2cccs2)cn1	ZINC000038029980	174020979	/nfs/dbraw/zinc/02/09/79/174020979.db2.gz	TXCPPNUXJKJXMT-UHFFFAOYSA-N	-1	0	279.321	1.601	40	0		CDABRM
COc1cccc([C@@H]2[C@H](C(=O)[O-])CC(=O)N2C2CC2)c1	ZINC000045922768	175386742	/nfs/dbraw/zinc/38/67/42/175386742.db2.gz	CLJPQWVXKXAHGQ-TZMCWYRMSA-N	-1	0	275.304	1.832	40	0		CDABRM
CC(=O)N[C@@H](C(=O)[O-])c1ccc(Br)cc1	ZINC000041405608	278126755	/nfs/dbraw/zinc/12/67/55/278126755.db2.gz	VWLYVLCKSWLEIS-SECBINFHSA-N	-1	0	272.098	1.711	40	0		CDABRM
CC1=C[C@]23[C@@H](C=C(C(=O)[O-])[C@H]2COC(=O)[C@]32CO2)[C@@H]1C	ZINC000001722386	281697809	/nfs/dbraw/zinc/69/78/09/281697809.db2.gz	NUPNVWUYFVEAIT-JENWIEIFSA-N	-1	0	276.288	1.152	40	0	in-vitro	CDABRM
O=C([O-])[C@@H]1CN(c2ncc(C(F)(F)F)s2)CCO1	ZINC000561094347	293049215	/nfs/dbraw/zinc/04/92/15/293049215.db2.gz	HKDOEMNORNVNGV-YFKPBYRVSA-N	-1	0	282.243	1.452	40	0		CDABRM
C[C@H](O)[C@H](C(=O)[O-])N(C)C(=O)OCc1ccccc1	ZINC000220742371	482712908	/nfs/dbraw/zinc/71/29/08/482712908.db2.gz	VTXCJGLSFIOQNL-GXSJLCMTSA-N	-1	0	267.281	1.089	40	0		CDABRM
CC[C@@H]1CCCC[C@H]1OCC(=O)[N-]S(C)(=O)=O	ZINC000184274830	529290797	/nfs/dbraw/zinc/29/07/97/529290797.db2.gz	YBEDIPXRGDPMST-NXEZZACHSA-N	-1	0	263.359	1.048	40	0		CDABRM
O=C([O-])[C@H](Cn1ccnc1)NC(=O)OCc1ccccc1	ZINC000040433975	342551937	/nfs/dbraw/zinc/55/19/37/342551937.db2.gz	PMENWBKKSRCFMJ-LBPRGKRZSA-N	-1	0	289.291	1.263	40	0		CDABRM
CN1C(=O)N[C@@H]2C[C@@]1(C)Oc1ccc(C(=O)[O-])cc12	ZINC000096530411	342166251	/nfs/dbraw/zinc/16/62/51/342166251.db2.gz	VLEQFASRERUBHE-NOZJJQNGSA-N	-1	0	262.265	1.580	40	0		CDABRM
COC[C@@]1(C(=O)[O-])CCCN1C(=O)CC[C@@H]1CCCO1	ZINC000643849980	361936838	/nfs/dbraw/zinc/93/68/38/361936838.db2.gz	IWSKDSHNSBDGPU-SMDDNHRTSA-N	-1	0	285.340	1.038	40	0		CDABRM
C[C@H](CC(=O)OC(C)(C)C)n1ccc(C(=O)[O-])n1	ZINC000408715648	365728813	/nfs/dbraw/zinc/72/88/13/365728813.db2.gz	CDRUTPBKDHZKBF-MRVPVSSYSA-N	-1	0	254.286	1.874	40	0		CDABRM
Cc1c[nH]c([C@@H]2CCCN2C(=O)CCC(=O)[O-])n1	ZINC000205683622	343339831	/nfs/dbraw/zinc/33/98/31/343339831.db2.gz	IAYWQTAMCCQUQT-VIFPVBQESA-N	-1	0	251.286	1.246	40	0		CDABRM
CCOCCN(CCC(=O)[O-])C(=O)OC(C)(C)C	ZINC000582468940	346223765	/nfs/dbraw/zinc/22/37/65/346223765.db2.gz	JXCQDHZLMCLPJC-UHFFFAOYSA-N	-1	0	261.318	1.735	40	0		CDABRM
COCCNC(=O)/C(C#N)=C/c1cc(Cl)ccc1[O-]	ZINC000006914523	348731551	/nfs/dbraw/zinc/73/15/51/348731551.db2.gz	SAUXJHQOQAJRBD-UXBLZVDNSA-N	-1	0	280.711	1.715	40	0		CDABRM
O=C([O-])c1ccccc1C(=O)n1nnc2ccccc21	ZINC000137919812	348742159	/nfs/dbraw/zinc/74/21/59/348742159.db2.gz	RBLXCIBKEXJWMD-UHFFFAOYSA-N	-1	0	267.244	1.818	40	0		CDABRM
CSCSC[C@@H](NC(=O)c1ccccc1)C(=O)[O-]	ZINC000001614704	355942174	/nfs/dbraw/zinc/94/21/74/355942174.db2.gz	CWPCUDZVTBWDDP-SNVBAGLBSA-N	-1	0	285.390	1.923	40	0		CDABRM
Cc1nc(Cc2ccccc2)[nH]c(=O)c1CC(=O)[O-]	ZINC000016857359	356448156	/nfs/dbraw/zinc/44/81/56/356448156.db2.gz	IOIPAZHVXWMMEB-UHFFFAOYSA-N	-1	0	258.277	1.296	40	0		CDABRM
O=C([O-])CS[C@H]1CC(=O)N(c2ccccc2Cl)C1=O	ZINC000016899929	356448424	/nfs/dbraw/zinc/44/84/24/356448424.db2.gz	UJQMVMRLFJTSRI-VIFPVBQESA-N	-1	0	299.735	1.790	40	0		CDABRM
Cc1ccc(C)c(N2C(=O)C[C@H](SCC(=O)[O-])C2=O)c1	ZINC000016899669	356448507	/nfs/dbraw/zinc/44/85/07/356448507.db2.gz	CJKGHUIZDSGTEL-NSHDSACASA-N	-1	0	293.344	1.753	40	0		CDABRM
CSc1nc(NC(=O)C(Cl)(Cl)Cl)n[nH]1	ZINC000019015441	356474898	/nfs/dbraw/zinc/47/48/98/356474898.db2.gz	NKPNOCXCCXLXTJ-UHFFFAOYSA-N	-1	0	275.548	1.835	40	0		CDABRM
COc1ccc(OC)c(C[C@H](C(=O)[O-])N2CCOCC2)c1	ZINC000041484895	357037892	/nfs/dbraw/zinc/03/78/92/357037892.db2.gz	GJGWHVVZECHAHB-CYBMUJFWSA-N	-1	0	295.335	1.032	40	0		CDABRM
Cc1cc(C)cc(OCc2ncc(C(=O)[O-])c(=O)[nH]2)c1	ZINC000058038198	357375242	/nfs/dbraw/zinc/37/52/42/357375242.db2.gz	URHQFLIBCXKKQW-UHFFFAOYSA-N	-1	0	274.276	1.664	40	0		CDABRM
CCCNS(=O)(=O)c1cc(C(=O)[O-])ccc1C	ZINC000019231240	357511402	/nfs/dbraw/zinc/51/14/02/357511402.db2.gz	LJXQZDQOHXINMO-UHFFFAOYSA-N	-1	0	257.311	1.382	40	0		CDABRM
O=C([O-])[C@H]1[C@@H](C(=O)NCc2cccs2)[C@H]2CC[C@@H]1O2	ZINC000017008532	357618248	/nfs/dbraw/zinc/61/82/48/357618248.db2.gz	FZABPMAKCGNVOU-VPOLOUISSA-N	-1	0	281.333	1.243	40	0		CDABRM
Cc1cc2ncc(C(=O)N[C@@H](C)[C@H](C)C(=O)[O-])c(C)n2n1	ZINC000132539883	358568031	/nfs/dbraw/zinc/56/80/31/358568031.db2.gz	QAKPYAUKJPKHOG-IUCAKERBSA-N	-1	0	290.323	1.185	40	0		CDABRM
CCOc1ccccc1NC(=O)N/C=C/C(=O)[O-]	ZINC000222697529	359365931	/nfs/dbraw/zinc/36/59/31/359365931.db2.gz	QZVYJQVJYCGCMH-BQYQJAHWSA-N	-1	0	250.254	1.805	40	0		CDABRM
O=C(Cc1ccsc1)[N-]S(=O)(=O)[C@H]1C[C@@H]2CC[C@H]1C2	ZINC000408495365	359863493	/nfs/dbraw/zinc/86/34/93/359863493.db2.gz	IYWAYTMWPDPFNH-USWWRNFRSA-N	-1	0	299.417	1.925	40	0		CDABRM
CC(=O)Oc1ccc(/C=C/C(=O)[O-])cc1OC(C)=O	ZINC000001720456	361618529	/nfs/dbraw/zinc/61/85/29/361618529.db2.gz	ZDIYGBWFISUTHI-GQCTYLIASA-N	-1	0	264.233	1.635	40	0	in-vitro	CDABRM
CC(C)(C)OC(=O)N[C@@]1(C(=O)[O-])C[C@H]1c1c[nH]cn1	ZINC000242649327	364074308	/nfs/dbraw/zinc/07/43/08/364074308.db2.gz	SBAYJNKQEYXXMD-MADCSZMMSA-N	-1	0	267.285	1.245	40	0		CDABRM
COc1c(C)cc(C(=O)[N-]S(C)(=O)=O)cc1C	ZINC000180729775	365013950	/nfs/dbraw/zinc/01/39/50/365013950.db2.gz	WSFOLIIPFPLWOS-UHFFFAOYSA-N	-1	0	257.311	1.001	40	0		CDABRM
O=C([O-])[C@@H]1CC(=O)O[C@H]1c1ccc2c(c1)OCO2	ZINC000039348934	367283421	/nfs/dbraw/zinc/28/34/21/367283421.db2.gz	IHGHHHLDVPOAER-HQJQHLMTSA-N	-1	0	250.206	1.104	40	0		CDABRM
CCOc1ccc(C(=O)[O-])cc1N1C(=O)CCC1=O	ZINC000225153814	189744495	/nfs/dbraw/zinc/74/44/95/189744495.db2.gz	BPTJYUVBAJYAGK-UHFFFAOYSA-N	-1	0	263.249	1.437	40	0		CDABRM
O=C([O-])c1cnn(CC2CC2)c1I	ZINC000256052715	374396807	/nfs/dbraw/zinc/39/68/07/374396807.db2.gz	OJEGQRSONFCHNL-UHFFFAOYSA-N	-1	0	292.076	1.596	40	0		CDABRM
CCCn1c(=O)[nH]nc1SCc1ncnn1CCF	ZINC000225637555	375173651	/nfs/dbraw/zinc/17/36/51/375173651.db2.gz	WFKSACPCHQPMFM-UHFFFAOYSA-N	-1	0	286.336	1.247	40	0		CDABRM
Cc1ccc([C@@H]2[C@H](C(=O)[O-])[C@@H]2S(C)(=O)=O)cc1	ZINC000218337741	375816171	/nfs/dbraw/zinc/81/61/71/375816171.db2.gz	SKRNMGRKTHUUCP-OUAUKWLOSA-N	-1	0	254.307	1.206	40	0		CDABRM
CC(C)(C)OC(=O)N[C@@]1(C(=O)[O-])C[C@@H]1c1cn[nH]c1	ZINC000242750538	376094654	/nfs/dbraw/zinc/09/46/54/376094654.db2.gz	ZRCXGNDESAXUQC-PELKAZGASA-N	-1	0	267.285	1.245	40	0		CDABRM
C[C@H]1Cc2ccccc2N1C(=O)c1cc(C(=O)[O-])nn1C	ZINC000002781764	378054395	/nfs/dbraw/zinc/05/43/95/378054395.db2.gz	GWOCZASQHNKZJE-VIFPVBQESA-N	-1	0	285.303	1.710	40	0		CDABRM
Cc1ccc(OCc2ccc(C(=O)NCC(=O)[O-])o2)cc1	ZINC000033443183	256797867	/nfs/dbraw/zinc/79/78/67/256797867.db2.gz	OLLPNBDHWUKQTK-UHFFFAOYSA-N	-1	0	289.287	1.981	40	0		CDABRM
Cc1cc(OCC(=O)[O-])ccc1NC(=O)[C@@H]1CCCOC1	ZINC000262059964	131188176	/nfs/dbraw/zinc/18/81/76/131188176.db2.gz	GXTZRKLDZDOFQF-LLVKDONJSA-N	-1	0	293.319	1.824	40	0		CDABRM
Cc1oc(CNC(=O)c2cncnc2)cc1C(=O)[O-]	ZINC000229799483	140203694	/nfs/dbraw/zinc/20/36/94/140203694.db2.gz	UULFCDUFOYESEB-UHFFFAOYSA-N	-1	0	261.237	1.006	40	0		CDABRM
CCCN(CCC)S(=O)(=O)N1[C@@H](C)CC[C@H]1C(=O)[O-]	ZINC000650232083	397799031	/nfs/dbraw/zinc/79/90/31/397799031.db2.gz	MMGPGLCBSYVGHH-QWRGUYRKSA-N	-1	0	292.401	1.291	40	0		CDABRM
O=C([O-])[C@H]1[C@H]2CC[C@@H](C[C@H]1O)N2C(=O)c1ccccc1	ZINC000001698795	169744475	/nfs/dbraw/zinc/74/44/75/169744475.db2.gz	JIYKWRZGMZMKBT-LOWDOPEQSA-N	-1	0	275.304	1.125	40	0		CDABRM
O=C([O-])[C@@H](O)[C@@H](NC(=O)c1ccccc1)c1ccccc1	ZINC000004976329	170047847	/nfs/dbraw/zinc/04/78/47/170047847.db2.gz	HYJVYOWKYPNSTK-KBPBESRZSA-N	-1	0	285.299	1.603	40	0		CDABRM
Cc1ccc(Cn2c(=O)c(C(=O)[O-])c[nH]c2=S)cc1	ZINC000020156257	171039047	/nfs/dbraw/zinc/03/90/47/171039047.db2.gz	ROHNIVKPAZDGPE-UHFFFAOYSA-N	-1	0	276.317	1.961	40	0		CDABRM
O=C([O-])c1ccc(CN2C(=O)C(=O)c3ccccc32)o1	ZINC000022221342	171378344	/nfs/dbraw/zinc/37/83/44/171378344.db2.gz	ZLZUPJJZKIRECL-UHFFFAOYSA-N	-1	0	271.228	1.707	40	0		CDABRM
CC(C)OC(=O)c1ccc(NC(=O)/C=C\C(=O)[O-])cc1	ZINC000034776401	171866642	/nfs/dbraw/zinc/86/66/42/171866642.db2.gz	UVHLPQKATJBPCH-FPLPWBNLSA-N	-1	0	277.276	1.831	40	0		CDABRM
CCN(CC[C@H](O)S(=O)(=O)[O-])c1cccc(C)c1	ZINC000071404927	176155473	/nfs/dbraw/zinc/15/54/73/176155473.db2.gz	WFISNLDSQGVORH-GFCCVEGCSA-N	-1	0	273.354	1.418	40	0		CDABRM
O=C([O-])Cn1cc(COc2cccc(F)c2)nn1	ZINC000072220830	176343031	/nfs/dbraw/zinc/34/30/31/176343031.db2.gz	OPFUZYCKPVFLLY-UHFFFAOYSA-N	-1	0	251.217	1.081	40	0		CDABRM
COC[C@H](C)CC(=O)N1CCC[C@@H](C)[C@@H]1C(=O)[O-]	ZINC000234688736	292996118	/nfs/dbraw/zinc/99/61/18/292996118.db2.gz	LYKVTJSMDHROCZ-CKYFFXLPSA-N	-1	0	257.330	1.371	40	0		CDABRM
N=c1[n-]nc(-c2ccn(-c3ccc(N)cc3F)n2)s1	ZINC000408717491	303233643	/nfs/dbraw/zinc/23/36/43/303233643.db2.gz	CRSWFDLJZPXFAY-UHFFFAOYSA-N	-1	0	276.300	1.525	40	0		CDABRM
C#C[C@@]1(C)C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	ZINC000095951548	1174550033	/nfs/dbraw/zinc/55/00/33/1174550033.db2.gz	GLANNMSZHPBAQR-ZANVPECISA-N	-1	0	253.298	1.720	40	0		CDABRM
O=C([O-])[C@@H](CCc1ccccc1)N1CCn2ncnc2C1	ZINC000903881680	626131411	/nfs/dbraw/zinc/13/14/11/626131411.db2.gz	IQAZEHDYKKSEME-CYBMUJFWSA-N	-1	0	286.335	1.180	40	0		CDABRM
O=C([O-])[C@H](CCc1ccccc1)N1CCn2ncnc2C1	ZINC000903881681	626131492	/nfs/dbraw/zinc/13/14/92/626131492.db2.gz	IQAZEHDYKKSEME-ZDUSSCGKSA-N	-1	0	286.335	1.180	40	0		CDABRM
C[C@@H]1CC[C@]2(C)C(=C[C@@H](O)C[C@H]2O)C=C1C(=O)[O-]	ZINC001772591325	1159182530	/nfs/dbraw/zinc/18/25/30/1159182530.db2.gz	SUJBNXDMMIUWKV-ZJIMWXPPSA-N	-1	0	252.310	1.486	40	0		CDABRM
O=C([N-]c1nnc([C@H]2CCCO2)s1)c1cccc[n+]1[O-]	ZINC000046085470	1166301505	/nfs/dbraw/zinc/30/15/05/1166301505.db2.gz	FEJXAPYUAJPPKP-SECBINFHSA-N	-1	0	292.320	1.275	40	0		CDABRM
COCC[C@@H](Oc1nn(C)c2ccccc21)C(=O)[O-]	ZINC000225770836	230399731	/nfs/dbraw/zinc/39/97/31/230399731.db2.gz	QVMXQPHDTONXRJ-LLVKDONJSA-N	-1	0	264.281	1.442	40	0		CDABRM
COC(=O)c1cc(C(=O)[O-])n(CCC(F)(F)F)n1	ZINC000408717888	539071801	/nfs/dbraw/zinc/07/18/01/539071801.db2.gz	ZRDNSMHZHKBHNW-UHFFFAOYSA-N	-1	0	266.175	1.320	40	0		CDABRM
O=C([O-])c1ccc(CN2CCc3nccnc3C2)cc1	ZINC000659803989	412495562	/nfs/dbraw/zinc/49/55/62/412495562.db2.gz	RKBCTRAWWZUGCZ-UHFFFAOYSA-N	-1	0	269.304	1.733	40	0		CDABRM
CCOc1cccc([C@@H]2OC(=O)C[C@H]2C(=O)[O-])c1	ZINC000085394584	179049182	/nfs/dbraw/zinc/04/91/82/179049182.db2.gz	MZQXXDVZFYRDML-PWSUYJOCSA-N	-1	0	250.250	1.774	40	0		CDABRM
CS(=O)(=O)c1ccc([C@@H](C(=O)[O-])C(F)(F)F)cc1	ZINC000521825365	347717759	/nfs/dbraw/zinc/71/77/59/347717759.db2.gz	GXNQQLLSANQTIL-QMMMGPOBSA-N	-1	0	282.239	1.821	40	0		CDABRM
Cc1nnc(SCc2ccc3c(c2)OCO3)[n-]c1=O	ZINC000107542119	348741568	/nfs/dbraw/zinc/74/15/68/348741568.db2.gz	IUCZTPPQMZUGIO-UHFFFAOYSA-N	-1	0	277.305	1.494	40	0		CDABRM
CC(C)(C)OC(=O)N1CCc2[nH]cnc2[C@@H]1C(=O)[O-]	ZINC000091303724	180130975	/nfs/dbraw/zinc/13/09/75/180130975.db2.gz	QSIMQYFAMRGECB-SECBINFHSA-N	-1	0	267.285	1.329	40	0		CDABRM
O=C([O-])C[C@@H]1CCCCN1C(=O)c1cccc2c1OCO2	ZINC000621620398	350677274	/nfs/dbraw/zinc/67/72/74/350677274.db2.gz	FKLLAGVZNNJWOX-JTQLQIEISA-N	-1	0	291.303	1.885	40	0		CDABRM
CCCNc1nn(-c2ccccc2OC)nc1C(=O)[O-]	ZINC000256047442	350908203	/nfs/dbraw/zinc/90/82/03/350908203.db2.gz	MMCDTKSQWMVUMP-UHFFFAOYSA-N	-1	0	276.296	1.796	40	0		CDABRM
Cc1cc(C(=O)N2C[C@H](C(=O)[O-])c3ccccc32)no1	ZINC000132000689	187602331	/nfs/dbraw/zinc/60/23/31/187602331.db2.gz	RAZVHZKFUNLQBE-JTQLQIEISA-N	-1	0	272.260	1.812	40	0		CDABRM
COc1ccc(N2C(=O)S[C@@H](CC(=O)[O-])C2=O)cc1	ZINC000036635209	356876095	/nfs/dbraw/zinc/87/60/95/356876095.db2.gz	OLBJAPLIMIMLKT-VIFPVBQESA-N	-1	0	281.289	1.738	40	0		CDABRM
COc1ccccc1C(=O)N1CCOC[C@H]1CC(=O)[O-]	ZINC000129388311	358282075	/nfs/dbraw/zinc/28/20/75/358282075.db2.gz	YUKBRUYVKDKASO-SNVBAGLBSA-N	-1	0	279.292	1.011	40	0		CDABRM
CCc1ccc(N2C(=O)C[C@@H](SCC(=O)[O-])C2=O)cc1	ZINC000100855897	358835967	/nfs/dbraw/zinc/83/59/67/358835967.db2.gz	WUNHDUXQTZLAKT-LLVKDONJSA-N	-1	0	293.344	1.699	40	0		CDABRM
CCNC(=S)Nc1cc(C(=O)[O-])ccc1OC	ZINC000216928733	358970181	/nfs/dbraw/zinc/97/01/81/358970181.db2.gz	XCKNGAXMSKBBMI-UHFFFAOYSA-N	-1	0	254.311	1.700	40	0		CDABRM
CC(C)NC(=S)Nc1ccc(C(=O)[O-])c(O)c1	ZINC000216930102	358970559	/nfs/dbraw/zinc/97/05/59/358970559.db2.gz	AWJBOZJMBDOKNT-UHFFFAOYSA-N	-1	0	254.311	1.785	40	0		CDABRM
CCOc1cccc(/C=C/C(=O)N[C@H](C)C(=O)[O-])c1	ZINC000033439570	359332296	/nfs/dbraw/zinc/33/22/96/359332296.db2.gz	JHMTXFWQNDUQJV-QROSGCPLSA-N	-1	0	263.293	1.688	40	0		CDABRM
O=C([O-])CCSc1n[nH]c(COc2ccccc2)n1	ZINC000224973239	359541100	/nfs/dbraw/zinc/54/11/00/359541100.db2.gz	IWWZISRSWFEIER-UHFFFAOYSA-N	-1	0	279.321	1.951	40	0		CDABRM
CCc1ccccc1C[C@H](C(=O)[O-])N1CCOCC1	ZINC000225142712	359552037	/nfs/dbraw/zinc/55/20/37/359552037.db2.gz	OYSGSUSWIPXBDU-CQSZACIVSA-N	-1	0	263.337	1.577	40	0		CDABRM
CCc1csc(S(=O)(=O)[N-]C(=O)C(C)(C)C)n1	ZINC000408492609	361369090	/nfs/dbraw/zinc/36/90/90/361369090.db2.gz	DXUPNXOUPJBENV-UHFFFAOYSA-N	-1	0	276.383	1.557	40	0		CDABRM
CSc1nn2c([n-]1)nc(C(F)(F)F)cc2=O	ZINC000010157019	365041712	/nfs/dbraw/zinc/04/17/12/365041712.db2.gz	RIAGRDZHRLNCBD-UHFFFAOYSA-N	-1	0	250.205	1.158	40	0		CDABRM
CNc1ccc(C(=O)[O-])cc1S(=O)(=O)NCC(C)C	ZINC000217697332	189711586	/nfs/dbraw/zinc/71/15/86/189711586.db2.gz	OLIJNWNQKZJJKJ-UHFFFAOYSA-N	-1	0	286.353	1.361	40	0		CDABRM
CC[C@@H](C(=O)[O-])N1CC(=O)N(C(C)C)C(C)(C)C1	ZINC000358340198	367616702	/nfs/dbraw/zinc/61/67/02/367616702.db2.gz	PLRZGYRDCHPAPF-JTQLQIEISA-N	-1	0	256.346	1.181	40	0		CDABRM
O=C([O-])[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)NCc1ccco1	ZINC000169299648	304155349	/nfs/dbraw/zinc/15/53/49/304155349.db2.gz	HCQDWAKIDFCJKE-BSJXLVFVSA-N	-1	0	261.277	1.419	40	0		CDABRM
O=C([O-])[C@H](Cc1ccccc1Cl)N1CCOCC1	ZINC000041390608	304171863	/nfs/dbraw/zinc/17/18/63/304171863.db2.gz	RYEOTZMBDCFOGY-LBPRGKRZSA-N	-1	0	269.728	1.668	40	0		CDABRM
CCC1([C@@H](C)c2ccccc2)C(=O)NC(=O)NC1=O	ZINC000002048677	373659948	/nfs/dbraw/zinc/65/99/48/373659948.db2.gz	ZHQQSGBVXDOXAS-VIFPVBQESA-N	-1	0	260.293	1.553	40	0		CDABRM
CC1(C)[C@@H](C(=O)NCCCO)CC[C@@]1(C)C(=O)[O-]	ZINC000006829048	374144549	/nfs/dbraw/zinc/14/45/49/374144549.db2.gz	RSYGNBOPCPSFKR-RNCFNFMXSA-N	-1	0	257.330	1.012	40	0		CDABRM
CCS(=O)(=O)[C@@H]1[C@@H](C(=O)[O-])[C@@H]1c1ccc2c(c1)OCO2	ZINC000218148990	375796544	/nfs/dbraw/zinc/79/65/44/375796544.db2.gz	BWAUREVUHNCFCV-SRVKXCTJSA-N	-1	0	298.316	1.017	40	0		CDABRM
O=C([O-])c1ccccc1-c1cnc(CN2CCOCC2)nc1	ZINC000257275963	190025023	/nfs/dbraw/zinc/02/50/23/190025023.db2.gz	NRTKJNNAWLTBSJ-UHFFFAOYSA-N	-1	0	299.330	1.674	40	0		CDABRM
COc1ncc([N-]S(=O)(=O)c2ccc(C)cc2C)cn1	ZINC000224285156	376484554	/nfs/dbraw/zinc/48/45/54/376484554.db2.gz	VGKXKPOVJFOFPX-UHFFFAOYSA-N	-1	0	293.348	1.903	40	0		CDABRM
COc1ccc(S(=O)(=O)[N-]c2cnc(OC)nc2)cc1	ZINC000224285273	376484626	/nfs/dbraw/zinc/48/46/26/376484626.db2.gz	FNZBODOXIARSOZ-UHFFFAOYSA-N	-1	0	295.320	1.295	40	0		CDABRM
COC(=O)c1cccnc1N1CCC(C(=O)[O-])CC1	ZINC000040434939	378071885	/nfs/dbraw/zinc/07/18/85/378071885.db2.gz	QDRTZOIMQVCOSH-UHFFFAOYSA-N	-1	0	264.281	1.169	40	0		CDABRM
O=C([O-])c1cc(F)cc(I)c1O	ZINC000225277852	304224927	/nfs/dbraw/zinc/22/49/27/304224927.db2.gz	DXOBWAVIXFXUOI-UHFFFAOYSA-N	-1	0	282.008	1.834	40	0		CDABRM
CC1=C(C(=O)[O-])[C@@H](c2ccc(F)cc2)n2ncnc2N1	ZINC000020154001	390231292	/nfs/dbraw/zinc/23/12/92/390231292.db2.gz	YEQDYXDXEQJDGP-LLVKDONJSA-N	-1	0	274.255	1.791	40	0		CDABRM
Cc1nc(C2CC2)nc(-n2ccc(C(=O)[O-])n2)c1C	ZINC000096517418	390532581	/nfs/dbraw/zinc/53/25/81/390532581.db2.gz	KRMJYZIGLCPRAK-UHFFFAOYSA-N	-1	0	258.281	1.855	40	0		CDABRM
Cn1nc(C(=O)N2CCC[C@H](C(=O)[O-])C2)c2ccccc21	ZINC000096517465	390533050	/nfs/dbraw/zinc/53/30/50/390533050.db2.gz	SIUPGCAPVXFBLX-JTQLQIEISA-N	-1	0	287.319	1.510	40	0		CDABRM
Cc1ncn(CC(=O)[O-])c(=O)c1Cc1ccccc1	ZINC000096530970	390543401	/nfs/dbraw/zinc/54/34/01/390543401.db2.gz	NHZJSNOZUUIGKY-UHFFFAOYSA-N	-1	0	258.277	1.227	40	0		CDABRM
CC(C)CCn1cc(NC(=O)CCC(=O)[O-])cn1	ZINC000072209871	390620455	/nfs/dbraw/zinc/62/04/55/390620455.db2.gz	AERGUWOVYYYEKD-UHFFFAOYSA-N	-1	0	253.302	1.733	40	0		CDABRM
CCCC[C@H](CC)CNC(=O)[C@H]1[C@@H](C(=O)[O-])[C@H]2C=C[C@@H]1O2	ZINC000169700397	390941328	/nfs/dbraw/zinc/94/13/28/390941328.db2.gz	ZSKVQAPLQMBJCD-QNSTZXKLSA-N	-1	0	295.379	1.973	40	0		CDABRM
O=C([O-])[C@@H]1Cc2[nH]cnc2[C@@H](c2ccc(F)cc2F)N1	ZINC000005066883	391722901	/nfs/dbraw/zinc/72/29/01/391722901.db2.gz	ULACLSPXYNHYDS-WDEREUQCSA-N	-1	0	279.246	1.376	40	0		CDABRM
O=c1nc(N2CCOCC2)nc(Sc2ccccc2)[n-]1	ZINC000017836773	134698311	/nfs/dbraw/zinc/69/83/11/134698311.db2.gz	BTCWEEDTTVWRDA-UHFFFAOYSA-N	-1	0	290.348	1.153	40	0		CDABRM
Cc1cc(C(=O)NC[C@](C)(C(=O)[O-])c2ccccc2)[nH]n1	ZINC000263297671	140465550	/nfs/dbraw/zinc/46/55/50/140465550.db2.gz	MUBGYNWVKMSILE-HNNXBMFYSA-N	-1	0	287.319	1.490	40	0		CDABRM
CC(=O)Nc1ccc2cc(S(=O)(=O)[O-])cc(O)c2c1	ZINC000005160870	170072279	/nfs/dbraw/zinc/07/22/79/170072279.db2.gz	YKVBYISUDGOVDM-UHFFFAOYSA-N	-1	0	281.289	1.751	40	0		CDABRM
Cc1ccc(OS(=O)(=O)N2CCC(C(=O)[O-])CC2)cc1	ZINC000005541766	170110708	/nfs/dbraw/zinc/11/07/08/170110708.db2.gz	BGZWDRBVPMNLHQ-UHFFFAOYSA-N	-1	0	299.348	1.415	40	0		CDABRM
O=C([O-])[C@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)NCc1cccnc1	ZINC000006715624	170231492	/nfs/dbraw/zinc/23/14/92/170231492.db2.gz	JSZGNPPTEGDQCN-VOAKCMCISA-N	-1	0	274.320	1.445	40	0		CDABRM
O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@@H]1C(=O)NCc1ccccc1F	ZINC000006730495	170235260	/nfs/dbraw/zinc/23/52/60/170235260.db2.gz	ZCWNOFNGHFABLS-OAACRXHESA-N	-1	0	289.306	1.965	40	0		CDABRM
O=c1[n-][nH]c(=O)c2cnc(Nc3ccc(Cl)cc3)nc12	ZINC000008617050	170342834	/nfs/dbraw/zinc/34/28/34/170342834.db2.gz	SIDYLIOHTSOQDA-UHFFFAOYSA-N	-1	0	289.682	1.403	40	0		CDABRM
Cc1ccc(-n2c(=O)[nH]c(C)c(CC(=O)[O-])c2=O)cc1C	ZINC000020156478	171039229	/nfs/dbraw/zinc/03/92/29/171039229.db2.gz	VKFWIOLKBNSNTQ-UHFFFAOYSA-N	-1	0	288.303	1.078	40	0		CDABRM
COc1ccc2oc(N[C@@H]3C[C@H](C(=O)[O-])C[C@@H]3O)nc2c1	ZINC000662899079	413679617	/nfs/dbraw/zinc/67/96/17/413679617.db2.gz	XEKTYDDVGMPUIR-NMLBEHRDSA-N	-1	0	292.291	1.472	40	0		CDABRM
CC(C)C(=O)Nc1ccc(N2C[C@@H](C(=O)[O-])CC2=O)cc1	ZINC000045953813	175388949	/nfs/dbraw/zinc/38/89/49/175388949.db2.gz	YAXVDCPYDSRUNS-JTQLQIEISA-N	-1	0	290.319	1.719	40	0		CDABRM
O=S(=O)([N-]c1cccnc1)c1cccc(O)c1	ZINC000071256384	176095346	/nfs/dbraw/zinc/09/53/46/176095346.db2.gz	SLKWANNZLNKIBY-UHFFFAOYSA-N	-1	0	250.279	1.588	40	0		CDABRM
Cc1noc(C)c1C(=O)N[C@@H](Cc1ccncc1)C(=O)[O-]	ZINC000655603068	424160337	/nfs/dbraw/zinc/16/03/37/424160337.db2.gz	QOSKWEDLDHKODU-NSHDSACASA-N	-1	0	289.291	1.112	40	0		CDABRM
CC(C)C[C@@H](NC(=O)OC(C)(C)C)[C@H](O)CC(=O)[O-]	ZINC000002598925	278998875	/nfs/dbraw/zinc/99/88/75/278998875.db2.gz	KJIQRHBVNGRPCO-NXEZZACHSA-N	-1	0	275.345	1.761	40	0		CDABRM
Cc1ccc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])nc1	ZINC000003893944	301642294	/nfs/dbraw/zinc/64/22/94/301642294.db2.gz	POQFWZQVJCRNQJ-DNIRFERGSA-N	-1	0	272.304	1.851	40	0		CDABRM
NC(=O)CC[C@H](NC(=O)Nc1ccc(Cl)cc1)C(=O)[O-]	ZINC000005944911	303247683	/nfs/dbraw/zinc/24/76/83/303247683.db2.gz	LQWXCVOAVPOEGZ-VIFPVBQESA-N	-1	0	299.714	1.180	40	0		CDABRM
COC[C@]1(C(=O)[O-])CCCN(C(=O)CCC2CCC2)C1	ZINC000262881955	522892039	/nfs/dbraw/zinc/89/20/39/522892039.db2.gz	KRVIKDMUGSZKCV-HNNXBMFYSA-N	-1	0	283.368	1.907	40	0		CDABRM
CC(C)S(=O)(=O)[N-]C(=O)c1csc(Cl)c1	ZINC000191380255	528305589	/nfs/dbraw/zinc/30/55/89/528305589.db2.gz	CBDUSCZHCQCRNV-UHFFFAOYSA-N	-1	0	267.759	1.870	40	0		CDABRM
O=C([O-])[C@@H]1CCCCN1C(=O)CCC1CCOCC1	ZINC000136534484	600867632	/nfs/dbraw/zinc/86/76/32/600867632.db2.gz	AMOXPCHBYKXADM-LBPRGKRZSA-N	-1	0	269.341	1.659	40	0		CDABRM
Cc1cc(C)n(CCNC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])n1	ZINC000035670914	1175550266	/nfs/dbraw/zinc/55/02/66/1175550266.db2.gz	VUUDQDFCQSHKRF-QWHCGFSZSA-N	-1	0	293.367	1.507	40	0		CDABRM
O=C([O-])[C@@H]1CCN(c2cc(-c3ccncc3)[nH]n2)C1	ZINC000096517192	342165796	/nfs/dbraw/zinc/16/57/96/342165796.db2.gz	KUYAQAJGIWGFCE-SNVBAGLBSA-N	-1	0	258.281	1.383	40	0		CDABRM
COC[C@]1(C(=O)[O-])CCCN1C(=O)[C@@H]1Cc2ccccc21	ZINC000643849109	361931676	/nfs/dbraw/zinc/93/16/76/361931676.db2.gz	SVLNAXSTZHRTHI-CJNGLKHVSA-N	-1	0	289.331	1.419	40	0		CDABRM
O=C([O-])c1cc(/C=C/c2cnn3ccccc23)ncn1	ZINC000534144862	282167279	/nfs/dbraw/zinc/16/72/79/282167279.db2.gz	QPSSLUPEHXHJQH-SNAWJCMRSA-N	-1	0	266.260	1.993	40	0		CDABRM
O=C1[N-]C(=O)N(c2cccnc2)C(=O)/C1=C/c1cccs1	ZINC000006971057	342342767	/nfs/dbraw/zinc/34/27/67/342342767.db2.gz	PMOBVWXNIRLVME-YRNVUSSQSA-N	-1	0	299.311	1.810	40	0		CDABRM
C[C@H](Cn1ccc(C(=O)[O-])n1)C(=O)OC(C)(C)C	ZINC000408716788	365730045	/nfs/dbraw/zinc/73/00/45/365730045.db2.gz	QYFYKFTUXQBDJI-MRVPVSSYSA-N	-1	0	254.286	1.559	40	0		CDABRM
CC(C)(C)c1ccc([C@H]2CNC(=O)[C@H]2C(=O)[O-])cc1	ZINC000256055017	350909466	/nfs/dbraw/zinc/90/94/66/350909466.db2.gz	YVBIPAMGEIVXOI-NEPJUHHUSA-N	-1	0	261.321	1.898	40	0		CDABRM
Cn1cnc(C(=O)[O-])c(OCc2ccccc2)c1=O	ZINC000090394349	358472497	/nfs/dbraw/zinc/47/24/97/358472497.db2.gz	MUJSIUGJQBJJGO-UHFFFAOYSA-N	-1	0	260.249	1.058	40	0		CDABRM
CCCCn1cnc2c1nc(N)nc2SCC(=O)[O-]	ZINC000001682635	355946814	/nfs/dbraw/zinc/94/68/14/355946814.db2.gz	MJRRPHDUGFVUGU-UHFFFAOYSA-N	-1	0	281.341	1.385	40	0		CDABRM
C[C@@H]1[C@@H](C(=O)[O-])[C@H](c2ccc(Cl)cc2)[NH2+][C@@H]1C(=O)[O-]	ZINC000004203148	356021984	/nfs/dbraw/zinc/02/19/84/356021984.db2.gz	CWSJTEZWAJPIKN-MZSCQWGGSA-N	-1	0	283.711	1.774	40	0		CDABRM
O=C([O-])CNC(=O)c1ccc(COc2ccccc2)o1	ZINC000033440667	356171933	/nfs/dbraw/zinc/17/19/33/356171933.db2.gz	FQGMLZMPUWTLMX-UHFFFAOYSA-N	-1	0	275.260	1.673	40	0		CDABRM
CC(=O)N1N=C(NCCC(=O)[O-])S[C@H]1c1cccnc1	ZINC000016139039	356432379	/nfs/dbraw/zinc/43/23/79/356432379.db2.gz	NVTUIGAFQGJKIO-NSHDSACASA-N	-1	0	294.336	1.011	40	0		CDABRM
COC(=O)c1c([N-]S(C)(=O)=O)sc2c1CCC2	ZINC000070245571	356870121	/nfs/dbraw/zinc/87/01/21/356870121.db2.gz	WITHTYUNCISPNC-UHFFFAOYSA-N	-1	0	275.351	1.395	40	0		CDABRM
COc1ccc([C@H](C)N2C[C@H](C(=O)[O-])CC2=O)cc1	ZINC000049851448	357223892	/nfs/dbraw/zinc/22/38/92/357223892.db2.gz	JBOIQIRJYOXYDQ-GXSJLCMTSA-N	-1	0	263.293	1.689	40	0		CDABRM
COc1ccc(-n2nc(C)cc(C(=O)[O-])c2=O)cc1	ZINC000089263603	358400802	/nfs/dbraw/zinc/40/08/02/358400802.db2.gz	OWGQSRZVPIMBKS-UHFFFAOYSA-N	-1	0	260.249	1.248	40	0		CDABRM
O=C([O-])c1ccc(NC(=O)C[C@H]2CCS(=O)(=O)C2)cc1	ZINC000036870646	358616745	/nfs/dbraw/zinc/61/67/45/358616745.db2.gz	ZOOXAXPMMXWNNH-SECBINFHSA-N	-1	0	297.332	1.148	40	0		CDABRM
COc1ccc(C(=O)N2CC[C@@H](C(=O)[O-])C2)c(F)c1	ZINC000225946435	359116513	/nfs/dbraw/zinc/11/65/13/359116513.db2.gz	YOVFGIYMCBDWPX-MRVPVSSYSA-N	-1	0	267.256	1.381	40	0		CDABRM
C[C@@H]1CCCN(Cc2cc(C(N)=O)cs2)[C@@H]1C(=O)[O-]	ZINC000263044850	359217749	/nfs/dbraw/zinc/21/77/49/359217749.db2.gz	JNUXPYORQGHCAK-KCJUWKMLSA-N	-1	0	282.365	1.532	40	0		CDABRM
C[C@@H](NC(=O)/C=C/c1ccccc1Cl)C(=O)[O-]	ZINC000033435454	359332929	/nfs/dbraw/zinc/33/29/29/359332929.db2.gz	VHSDGVHXUNWCIO-HYDMIIDASA-N	-1	0	253.685	1.943	40	0		CDABRM
O=C([O-])[C@H]1[C@@H](C(=O)NCc2cccs2)[C@H]2C=C[C@@H]1O2	ZINC000222428848	359341645	/nfs/dbraw/zinc/34/16/45/359341645.db2.gz	QYLRKLRVQQRJDU-VPOLOUISSA-N	-1	0	279.317	1.019	40	0		CDABRM
CC(C)S(=O)(=O)[N-]C(=O)[C@@H]1Cc2ccccc21	ZINC000408490163	361345914	/nfs/dbraw/zinc/34/59/14/361345914.db2.gz	ZGNYRSYCHJHZKN-LLVKDONJSA-N	-1	0	253.323	1.181	40	0		CDABRM
COCCNC(=S)Nc1ccccc1C(=O)[O-]	ZINC000225154355	189744690	/nfs/dbraw/zinc/74/46/90/189744690.db2.gz	DIKVWFZHPBMVTQ-UHFFFAOYSA-N	-1	0	254.311	1.318	40	0		CDABRM
CCn1cc(-c2cc(C(=O)[O-])n3ncc(C)c3n2)cn1	ZINC000095098673	372355219	/nfs/dbraw/zinc/35/52/19/372355219.db2.gz	IWODLWKHZUPTKS-UHFFFAOYSA-N	-1	0	271.280	1.619	40	0		CDABRM
CCOC(=O)Cc1[n-]n(-c2nc(C)cc(C)n2)c(=O)c1C	ZINC000101414847	374153983	/nfs/dbraw/zinc/15/39/83/374153983.db2.gz	QYTGGRLOOSXKOO-UHFFFAOYSA-N	-1	0	290.323	1.399	40	0		CDABRM
COc1cc2c(=O)c(C(=O)[O-])cn(C)c2cc1Cl	ZINC000064874642	374240278	/nfs/dbraw/zinc/24/02/78/374240278.db2.gz	CIKDQINJEKTRDN-UHFFFAOYSA-N	-1	0	267.668	1.899	40	0		CDABRM
Cc1oc(CN(C)C(=O)c2cccn2C)cc1C(=O)[O-]	ZINC000225460437	374439749	/nfs/dbraw/zinc/43/97/49/374439749.db2.gz	OLOPCARKPBVEBJ-UHFFFAOYSA-N	-1	0	276.292	1.897	40	0		CDABRM
COCCNC(=O)C[C@@H](CC(=O)[O-])c1ccccc1	ZINC000057553076	375528976	/nfs/dbraw/zinc/52/89/76/375528976.db2.gz	XXHOYTKRPSDUIV-LBPRGKRZSA-N	-1	0	265.309	1.398	40	0		CDABRM
O=C([O-])c1ccccc1CNCc1ccn(CCF)n1	ZINC000256054886	190005751	/nfs/dbraw/zinc/00/57/51/190005751.db2.gz	YEUMFMABYVHTFP-UHFFFAOYSA-N	-1	0	277.299	1.841	40	0		CDABRM
COCC(=O)N1CCC[C@@H]1c1cccc(CCC(=O)[O-])n1	ZINC000257248402	190020338	/nfs/dbraw/zinc/02/03/38/190020338.db2.gz	JDMKNQXRODAXGF-CYBMUJFWSA-N	-1	0	292.335	1.409	40	0		CDABRM
O=S(=O)([N-]c1nc2ncccn2n1)c1ccccc1F	ZINC000073840495	375795782	/nfs/dbraw/zinc/79/57/82/375795782.db2.gz	KCEUYMMWSMFDEY-UHFFFAOYSA-N	-1	0	293.283	1.064	40	0		CDABRM
O=C([O-])c1cccc(N=c2c(=O)c3ccccc3c2=O)c1	ZINC000005948582	304262719	/nfs/dbraw/zinc/26/27/19/304262719.db2.gz	SSNWNCAKOKNEIY-UHFFFAOYSA-N	-1	0	279.251	1.366	40	0		CDABRM
CC(C)[C@@H]1CCC(CO)=C[C@H]1/C=C(\CO)C(=O)[O-]	ZINC000015257893	390216216	/nfs/dbraw/zinc/21/62/16/390216216.db2.gz	SLVSUVFUFJKMCV-MZGZCWAVSA-N	-1	0	254.326	1.591	40	0	biogenic,in-vitro	CDABRM
O=C([O-])c1ccnn(Cc2ccccc2Cl)c1=O	ZINC000096517609	390532824	/nfs/dbraw/zinc/53/28/24/390532824.db2.gz	SHVYUBPLCSCZOC-UHFFFAOYSA-N	-1	0	264.668	1.643	40	0		CDABRM
O=C([O-])CCc1nnc2c3cc(C4CC4)nn3ccn12	ZINC000096517280	390533058	/nfs/dbraw/zinc/53/30/58/390533058.db2.gz	HZRFSOHLQWVODG-UHFFFAOYSA-N	-1	0	271.280	1.272	40	0		CDABRM
Cc1noc(-c2cnc(C)nc2-n2cnc(C(=O)[O-])c2)n1	ZINC000096517378	390533202	/nfs/dbraw/zinc/53/32/02/390533202.db2.gz	MYHFXBBFUKIUHY-UHFFFAOYSA-N	-1	0	286.251	1.027	40	0		CDABRM
O=C([O-])C1CCC(NC(=O)c2cnn3ccccc23)CC1	ZINC000224800361	140175909	/nfs/dbraw/zinc/17/59/09/140175909.db2.gz	BLXIRZUDFKKZHZ-UHFFFAOYSA-N	-1	0	287.319	1.708	40	0		CDABRM
CC(=O)C=C([O-])c1cc(C(C)=O)c(O)c(C(C)=O)c1	ZINC000005051977	170061830	/nfs/dbraw/zinc/06/18/30/170061830.db2.gz	CTKCLRDIKYSBMI-UHFFFAOYSA-N	-1	0	262.261	1.959	40	0		CDABRM
O=C([O-])[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)NCCc1ccccc1	ZINC000005278925	170082185	/nfs/dbraw/zinc/08/21/85/170082185.db2.gz	ZPHBCOITRGMVGO-LJISPDSOSA-N	-1	0	285.343	1.868	40	0		CDABRM
CCNc1nc(Cl)nc(NCCCC(=O)[O-])n1	ZINC000005853837	170147116	/nfs/dbraw/zinc/14/71/16/170147116.db2.gz	QJCNXQQKVJBFEF-UHFFFAOYSA-N	-1	0	259.697	1.234	40	0		CDABRM
O=C([O-])[C@@H]1CCN(C(=O)c2cccc(Cn3ccnc3)c2)C1	ZINC000019746017	170851943	/nfs/dbraw/zinc/85/19/43/170851943.db2.gz	IJGNHSMYEKINAO-CQSZACIVSA-N	-1	0	299.330	1.478	40	0		CDABRM
Cc1ccccc1OCc1ncc(C(=O)[O-])c(=O)[nH]1	ZINC000020134279	171021917	/nfs/dbraw/zinc/02/19/17/171021917.db2.gz	SONCXQVBMSWSHN-UHFFFAOYSA-N	-1	0	260.249	1.356	40	0		CDABRM
COc1ccc(/C=C/C(=O)NCCCC(=O)[O-])cc1OC	ZINC000020200248	171063932	/nfs/dbraw/zinc/06/39/32/171063932.db2.gz	ZDQSHSJTLMMCBY-SOFGYWHQSA-N	-1	0	293.319	1.698	40	0		CDABRM
Cn1cc(C(=O)Nc2ccc(CC(=O)[O-])cc2)cn1	ZINC000020215922	171077967	/nfs/dbraw/zinc/07/79/67/171077967.db2.gz	KAPFAGHHNQFCAW-UHFFFAOYSA-N	-1	0	259.265	1.300	40	0		CDABRM
O=C([O-])CCn1cc(CO)c(-c2ccc(F)cc2)n1	ZINC000027516681	171518535	/nfs/dbraw/zinc/51/85/35/171518535.db2.gz	NREJNQFIDYNCIC-UHFFFAOYSA-N	-1	0	264.256	1.656	40	0		CDABRM
CC(C)(C)C(=O)NCC(=O)N1CCC[C@H](CCC(=O)[O-])C1	ZINC000043584264	175070908	/nfs/dbraw/zinc/07/09/08/175070908.db2.gz	ABDHALGWDZOBQZ-LLVKDONJSA-N	-1	0	298.383	1.252	40	0		CDABRM
COc1ccc([C@@H]2CC(=O)NC(C)=C2C(=O)[O-])cc1	ZINC000044563704	175207428	/nfs/dbraw/zinc/20/74/28/175207428.db2.gz	WFQNCIMKHZOHGA-NSHDSACASA-N	-1	0	261.277	1.657	40	0		CDABRM
C/C=C/[C@H](O)[C@H]1OC(=O)C[C@H]1Nc1ccc(C(=O)[O-])cc1	ZINC000067910602	782046376	/nfs/dbraw/zinc/04/63/76/782046376.db2.gz	BYCOQXVBFQHWPL-OWYSQVLISA-N	-1	0	291.303	1.418	40	0	biogenic,in-vitro	CDABRM
CC(=O)[C@@]1(C)C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	ZINC000095951352	278233507	/nfs/dbraw/zinc/23/35/07/278233507.db2.gz	RKNHOLZOJUSHIX-ZANVPECISA-N	-1	0	271.313	1.676	40	0	biogenic	CDABRM
Cc1cc2c(c(=O)n1CC(=O)[O-])C=C1CCCC[C@@H]1O2	ZINC000257225317	301436011	/nfs/dbraw/zinc/43/60/11/301436011.db2.gz	FFSFWZMTHSJUHN-LBPRGKRZSA-N	-1	0	275.304	1.960	40	0		CDABRM
Cc1nc2c(c(N3CC[C@@H](C(=O)[O-])C3)n1)CCCC2	ZINC000096516896	302649381	/nfs/dbraw/zinc/64/93/81/302649381.db2.gz	IIPMTIWAJSHGKK-SNVBAGLBSA-N	-1	0	261.325	1.575	40	0		CDABRM
CC(C)(C)OC(=O)NC1(CC(=O)[O-])CCC(=O)CC1	ZINC000238121685	1179320311	/nfs/dbraw/zinc/32/03/11/1179320311.db2.gz	AMWHVEPXROJWIS-UHFFFAOYSA-N	-1	0	271.313	1.868	40	0		CDABRM
O=C([O-])c1nnn(CCc2ccccc2)c1Cl	ZINC000225766998	230399480	/nfs/dbraw/zinc/39/94/80/230399480.db2.gz	VIBKRKVBBQZNSG-UHFFFAOYSA-N	-1	0	251.673	1.872	40	0		CDABRM
CC(=O)CC(=O)[N-]S(=O)(=O)c1cccc2cccnc21	ZINC000255187255	362492284	/nfs/dbraw/zinc/49/22/84/362492284.db2.gz	CIIRGWUEZWVALV-UHFFFAOYSA-N	-1	0	292.316	1.019	40	0		CDABRM
O=C([O-])c1cccc2c1CCN(C(=O)[C@@H]1CCCOC1)C2	ZINC000123868614	345127815	/nfs/dbraw/zinc/12/78/15/345127815.db2.gz	YZFRKBZFZYIGGJ-GFCCVEGCSA-N	-1	0	289.331	1.696	40	0		CDABRM
Cc1ccc(-c2nnc([N-]S(C)(=O)=O)s2)cc1	ZINC000223923415	301470096	/nfs/dbraw/zinc/47/00/96/301470096.db2.gz	GFXUTUFKSXYKAM-UHFFFAOYSA-N	-1	0	269.351	1.885	40	0		CDABRM
O=C([O-])[C@@H]1CCCN(c2nccn3nc(C4CC4)cc23)C1	ZINC000096516387	136520950	/nfs/dbraw/zinc/52/09/50/136520950.db2.gz	LQJZRAQFNIBWAQ-LLVKDONJSA-N	-1	0	286.335	1.908	40	0		CDABRM
CCOc1ccc([C@@H]2OC(=O)C[C@@H]2C(=O)[O-])cc1OC	ZINC000085394826	179049168	/nfs/dbraw/zinc/04/91/68/179049168.db2.gz	IXTFDARLIDACQL-ZANVPECISA-N	-1	0	280.276	1.783	40	0		CDABRM
COC(=O)C=C(Nc1ccccc1C(=O)[O-])C(=O)OC	ZINC000005104686	290850443	/nfs/dbraw/zinc/85/04/43/290850443.db2.gz	BOEXTIYAFRLSPZ-YFHOEESVSA-N	-1	0	279.248	1.027	40	0		CDABRM
CCNc1ccnc(O[C@@H]2CCCN(C(=O)[O-])C2)n1	ZINC000091351772	180137555	/nfs/dbraw/zinc/13/75/55/180137555.db2.gz	MEHVVOPJECKMTF-SECBINFHSA-N	-1	0	266.301	1.430	40	0		CDABRM
CC(C)(C)c1cc(=O)n2c(n1)SC[C@H]2CC(=O)[O-]	ZINC000061968086	362958563	/nfs/dbraw/zinc/95/85/63/362958563.db2.gz	DLNSYKVZCFICAO-SSDOTTSWSA-N	-1	0	268.338	1.662	40	0		CDABRM
CCN(CC)c1nn(-c2ccccc2)nc1C(=O)[O-]	ZINC000256046047	350908327	/nfs/dbraw/zinc/90/83/27/350908327.db2.gz	CJGUCLHIIVBBHI-UHFFFAOYSA-N	-1	0	260.297	1.812	40	0		CDABRM
CC(C)Cn1cc([C@H](O)C2(C(=O)[O-])CCC2)cn1	ZINC000095093798	366088481	/nfs/dbraw/zinc/08/84/81/366088481.db2.gz	CTWVEGRFAVEOHV-NSHDSACASA-N	-1	0	252.314	1.827	40	0		CDABRM
Cc1cccc(C(=O)[O-])c1OCC(=O)NCc1ccco1	ZINC000037729780	356526284	/nfs/dbraw/zinc/52/62/84/356526284.db2.gz	POBVAIVUFZULSP-UHFFFAOYSA-N	-1	0	289.287	1.981	40	0		CDABRM
O=C([O-])c1cnc(COc2ccccc2F)[nH]c1=O	ZINC000058038205	357375113	/nfs/dbraw/zinc/37/51/13/357375113.db2.gz	GBOUIZBGNZVCML-UHFFFAOYSA-N	-1	0	264.212	1.186	40	0		CDABRM
CCOC(=O)C1=NN(c2ccc(F)cc2)[C@H](C(=O)[O-])C1	ZINC000071979347	357807581	/nfs/dbraw/zinc/80/75/81/357807581.db2.gz	KSDNZJCWKWVQBQ-NSHDSACASA-N	-1	0	280.255	1.408	40	0		CDABRM
CC(C)[C@@H](N[C@H]1CC(c2ccco2)=NN1)C(=O)[O-]	ZINC000005633428	358720582	/nfs/dbraw/zinc/72/05/82/358720582.db2.gz	ICFOLRWGJBTDQK-GHMZBOCLSA-N	-1	0	251.286	1.002	40	0		CDABRM
N[C@@H]1C(=O)[C@@H]2CCCC[C@@H]2C(=O)C1=C([O-])c1ccccc1	ZINC000100488321	358831298	/nfs/dbraw/zinc/83/12/98/358831298.db2.gz	RLMCQGNTVUZGDZ-CRWXNKLISA-N	-1	0	285.343	1.771	40	0		CDABRM
Cc1nc(CC(=O)Nc2ccccc2F)ncc1C(=O)[O-]	ZINC000217355172	358995011	/nfs/dbraw/zinc/99/50/11/358995011.db2.gz	FOJOEWLJJVJBIJ-UHFFFAOYSA-N	-1	0	289.266	1.804	40	0		CDABRM
CC(=O)c1ccccc1OCc1ncc(C(=O)[O-])cn1	ZINC000217380219	189709655	/nfs/dbraw/zinc/70/96/55/189709655.db2.gz	PDUITNFACLRHDN-UHFFFAOYSA-N	-1	0	272.260	1.956	40	0		CDABRM
O=C([O-])c1ccc(OCCNC(=O)[C@H]2CCCCO2)cc1	ZINC000538583834	368320343	/nfs/dbraw/zinc/32/03/43/368320343.db2.gz	MAPRIZKMHYYNGP-CYBMUJFWSA-N	-1	0	293.319	1.449	40	0		CDABRM
O=C([O-])[C@@H]1C[C@@H]1C(=O)NC1(c2ccccc2)CCC1	ZINC000225457626	304139575	/nfs/dbraw/zinc/13/95/75/304139575.db2.gz	CLDCQOAJGWQHCB-NWDGAFQWSA-N	-1	0	259.305	1.903	40	0		CDABRM
O=C([O-])[C@@H]1C[C@H]1C(=O)NC1(c2ccccc2)CCC1	ZINC000225457613	304146270	/nfs/dbraw/zinc/14/62/70/304146270.db2.gz	CLDCQOAJGWQHCB-VXGBXAGGSA-N	-1	0	259.305	1.903	40	0		CDABRM
O=C([O-])[C@@H]1CCN(C(=O)Cc2ccc3c(c2)CCCO3)C1	ZINC000257219390	190013890	/nfs/dbraw/zinc/01/38/90/190013890.db2.gz	DGPVAZITUPQRMU-CYBMUJFWSA-N	-1	0	289.331	1.487	40	0		CDABRM
CN(C(=O)Cn1cccc(C(=O)[O-])c1=O)C1CCCCC1	ZINC000257197953	190010099	/nfs/dbraw/zinc/01/00/99/190010099.db2.gz	ONCHAMIXODTAGS-UHFFFAOYSA-N	-1	0	292.335	1.338	40	0		CDABRM
CC(=O)N/C(=C\c1nc(C(F)(F)F)cs1)C(=O)[O-]	ZINC000218733199	375807467	/nfs/dbraw/zinc/80/74/67/375807467.db2.gz	NCMBRDDBJGRBAY-DJWKRKHSSA-N	-1	0	280.227	1.724	40	0		CDABRM
O=C([O-])c1cnc2sc3c(n2c1=O)CCCC3	ZINC000034776331	304279426	/nfs/dbraw/zinc/27/94/26/304279426.db2.gz	MSRCSFNTGPPYSZ-UHFFFAOYSA-N	-1	0	250.279	1.333	40	0		CDABRM
COc1ccc([C@H]2C[N@H+](C)C[C@H]2C(=O)[O-])c(OC)c1	ZINC000242718310	390480191	/nfs/dbraw/zinc/48/01/91/390480191.db2.gz	XIUAEWDUYITPRE-VXGBXAGGSA-N	-1	0	265.309	1.434	40	0		CDABRM
Cc1cc2nc3n(c(=O)c2n1CC(=O)[O-])CCCCC3	ZINC000096517303	390533117	/nfs/dbraw/zinc/53/31/17/390533117.db2.gz	YICMOIIDENXEQA-UHFFFAOYSA-N	-1	0	275.308	1.317	40	0		CDABRM
CC[C@@]1(C)N=C(c2ccccc2)C(=O)N1CC(=O)[O-]	ZINC000096516407	390534117	/nfs/dbraw/zinc/53/41/17/390534117.db2.gz	KCNSVXBHAIQVQZ-AWEZNQCLSA-N	-1	0	260.293	1.529	40	0		CDABRM
CC1(C)N=C(c2ccc(F)cc2)C(=O)N1CC(=O)[O-]	ZINC000096516405	390534804	/nfs/dbraw/zinc/53/48/04/390534804.db2.gz	GHNJKWJSCUOMNY-UHFFFAOYSA-N	-1	0	264.256	1.278	40	0		CDABRM
Cc1nc(-c2ccc(F)cc2)cc(=O)n1CC(=O)[O-]	ZINC000096531036	390540844	/nfs/dbraw/zinc/54/08/44/390540844.db2.gz	LWMGKUMPNSFQHA-UHFFFAOYSA-N	-1	0	262.240	1.442	40	0		CDABRM
O=C([O-])[C@@H]1CSCN1C(=O)OCc1ccccc1	ZINC000019518511	391323342	/nfs/dbraw/zinc/32/33/42/391323342.db2.gz	RPYBYBARYRKSIF-JTQLQIEISA-N	-1	0	267.306	1.783	40	0		CDABRM
Cn1c(SCC(=O)[O-])nnc1-c1cccc(F)c1	ZINC000002523692	169802199	/nfs/dbraw/zinc/80/21/99/169802199.db2.gz	XYXVXSHUCGLFEY-UHFFFAOYSA-N	-1	0	267.285	1.798	40	0		CDABRM
NS(=O)(=O)c1ccc(NCc2ccco2)c(C(=O)[O-])c1	ZINC000013276641	170541511	/nfs/dbraw/zinc/54/15/11/170541511.db2.gz	GYQQEZNVBNIXGY-UHFFFAOYSA-N	-1	0	296.304	1.237	40	0		CDABRM
COc1cccc([C@H](C(=O)[O-])N2CCOCC2)c1OC	ZINC000037359362	173149606	/nfs/dbraw/zinc/14/96/06/173149606.db2.gz	LKEIVNXTAAEXQL-GFCCVEGCSA-N	-1	0	281.308	1.162	40	0		CDABRM
CCOC(=O)C1=NN(c2ccc(F)cc2)[C@@](C)(C(=O)[O-])C1	ZINC000071979599	176307707	/nfs/dbraw/zinc/30/77/07/176307707.db2.gz	LINQBIZLNXWDJS-CQSZACIVSA-N	-1	0	294.282	1.798	40	0		CDABRM
CCc1c(C)[n-]n2c1nc(-c1ccc[nH]c1=O)cc2=O	ZINC000072398521	176397128	/nfs/dbraw/zinc/39/71/28/176397128.db2.gz	QABBDWVPFMUXTC-UHFFFAOYSA-N	-1	0	270.292	1.661	40	0		CDABRM
CC(C)CCSc1nn2c([n-]1)nc(=O)cc2N	ZINC000072415089	176399780	/nfs/dbraw/zinc/39/97/80/176399780.db2.gz	ODRBUAXIDNAKAT-UHFFFAOYSA-N	-1	0	253.331	1.550	40	0		CDABRM
CC(C)(C)OC(=O)N1CCCn2nnc(C(=O)[O-])c2C1	ZINC000091303424	278397495	/nfs/dbraw/zinc/39/74/95/278397495.db2.gz	AOKLVSZATRRRDJ-UHFFFAOYSA-N	-1	0	282.300	1.117	40	0		CDABRM
C[NH+]1CSC(=S)[N-]CC[N-]C(=S)SC1	ZINC000056681507	290260119	/nfs/dbraw/zinc/26/01/19/290260119.db2.gz	WLTXCBSJOOTPKB-UHFFFAOYSA-N	-1	0	267.470	1.062	40	0		CDABRM
COC[C@](C)(CC(=O)[O-])NC(=O)c1ccccc1Cl	ZINC000237105580	293244505	/nfs/dbraw/zinc/24/45/05/293244505.db2.gz	WBZGOWJGXVBNEF-ZDUSSCGKSA-N	-1	0	285.727	1.950	40	0		CDABRM
O=C([O-])c1cc(F)ccc1CN1CCn2ncnc2C1	ZINC000571691941	294487827	/nfs/dbraw/zinc/48/78/27/294487827.db2.gz	URUCPXKKKVRMLF-UHFFFAOYSA-N	-1	0	276.271	1.131	40	0		CDABRM
COc1ccc([C@@H]2OC(=O)C[C@@H]2C(=O)[O-])cc1OC	ZINC000085394808	295228554	/nfs/dbraw/zinc/22/85/54/295228554.db2.gz	AOQFQFPZJVXXBO-UFBFGSQYSA-N	-1	0	266.249	1.393	40	0		CDABRM
CCn1cc(C(=O)NCc2nc(C)c(C(=O)[O-])s2)cn1	ZINC000679399219	483358457	/nfs/dbraw/zinc/35/84/57/483358457.db2.gz	XHZBVAHXCPDDRH-UHFFFAOYSA-N	-1	0	294.336	1.296	40	0		CDABRM
Nc1[nH]c(=O)[nH]c(=O)c1N=Nc1ccc(Cl)cc1	ZINC000107672387	1174775897	/nfs/dbraw/zinc/77/58/97/1174775897.db2.gz	NLFMNNOQORHJFF-FRKPEAEDSA-N	-1	0	265.660	1.129	40	0		CDABRM
Cn1c(SCC(=O)[O-])nnc1-c1cccnc1Cl	ZINC000228927856	570372929	/nfs/dbraw/zinc/37/29/29/570372929.db2.gz	XLMBHEMWZKFEEA-UHFFFAOYSA-N	-1	0	284.728	1.707	40	0		CDABRM
O=C([O-])c1ccccc1NC(=O)C(=O)Nc1ccccc1	ZINC000228958230	570373234	/nfs/dbraw/zinc/37/32/34/570373234.db2.gz	YLAPUKADTGEZKO-UHFFFAOYSA-N	-1	0	284.271	1.962	40	0		CDABRM
COc1ccc(-c2cc(C(=O)[O-])c(=O)n(C)n2)cc1OC	ZINC000082453797	178032636	/nfs/dbraw/zinc/03/26/36/178032636.db2.gz	TUCMSGSEXFOTFQ-UHFFFAOYSA-N	-1	0	290.275	1.163	40	0		CDABRM
COC(=O)[C@H]1CC[C@@H](C(=O)[O-])N1Cc1ccccc1	ZINC000034161205	343397655	/nfs/dbraw/zinc/39/76/55/343397655.db2.gz	PPRLCASKVDQSEK-NWDGAFQWSA-N	-1	0	263.293	1.277	40	0		CDABRM
CC(=O)Nc1cccc(-c2ncc(C(=O)[O-])c(=O)[nH]2)c1	ZINC000145616712	362300987	/nfs/dbraw/zinc/30/09/87/362300987.db2.gz	JAUMDFRDWYKGSD-UHFFFAOYSA-N	-1	0	273.248	1.094	40	0		CDABRM
O=C([O-])C[C@H]1CSc2nc(C3CC3)cc(=O)n21	ZINC000085397260	179049753	/nfs/dbraw/zinc/04/97/53/179049753.db2.gz	GUGXWMFBQFGXID-ZETCQYMHSA-N	-1	0	252.295	1.242	40	0		CDABRM
O=C([O-])c1cc2[nH]c(=O)[nH]c2c(Br)c1	ZINC000085386258	179047292	/nfs/dbraw/zinc/04/72/92/179047292.db2.gz	PPYOHYSGSIRRDX-UHFFFAOYSA-N	-1	0	257.043	1.317	40	0		CDABRM
CCOc1cc([C@@H]2OC(=O)C[C@H]2C(=O)[O-])ccc1O	ZINC000085394157	179048612	/nfs/dbraw/zinc/04/86/12/179048612.db2.gz	IKDFVECMMFRLKW-PELKAZGASA-N	-1	0	266.249	1.480	40	0		CDABRM
COc1ccc([C@@H](CC(=O)[O-])NC(C)=O)cc1C	ZINC000000053377	355882132	/nfs/dbraw/zinc/88/21/32/355882132.db2.gz	LDJQYHJIZGTGCO-LLVKDONJSA-N	-1	0	251.282	1.656	40	0		CDABRM
CC(C)C[C@@H](NC(=O)C(C)(Cl)Cl)C(=O)[O-]	ZINC000001672180	355945937	/nfs/dbraw/zinc/94/59/37/355945937.db2.gz	NJGYGQFZAQSKNN-ZCFIWIBFSA-N	-1	0	256.129	1.796	40	0		CDABRM
CCOC(=O)c1nn(-c2ccc(Cl)cc2)c(=O)[n-]1	ZINC000015444113	356416700	/nfs/dbraw/zinc/41/67/00/356416700.db2.gz	IFFMZQDVAISQLB-UHFFFAOYSA-N	-1	0	267.672	1.391	40	0		CDABRM
O=C([O-])[C@H]1CC(=O)N(Cc2ccc(F)c(Cl)c2)C1	ZINC000053147457	357283655	/nfs/dbraw/zinc/28/36/55/357283655.db2.gz	UHJNUKFLVIDSMN-QMMMGPOBSA-N	-1	0	271.675	1.912	40	0		CDABRM
CCc1ccc([C@H]2N[C@H](C(=O)[O-])Cc3[nH]cnc32)cc1	ZINC000071610057	357767819	/nfs/dbraw/zinc/76/78/19/357767819.db2.gz	DZEOXLDQCGPCEA-QWHCGFSZSA-N	-1	0	271.320	1.660	40	0		CDABRM
COc1cc(=O)n(CC(=O)[O-])nc1-c1ccccc1	ZINC000095095451	358678436	/nfs/dbraw/zinc/67/84/36/358678436.db2.gz	LSCXTIARHVPYRA-UHFFFAOYSA-N	-1	0	260.249	1.004	40	0		CDABRM
O=C([O-])[C@H]1Cc2[nH]cnc2[C@@H](c2ccc(F)c(F)c2)N1	ZINC000096300042	358731784	/nfs/dbraw/zinc/73/17/84/358731784.db2.gz	YVEUDQPFQNWVPS-GHMZBOCLSA-N	-1	0	279.246	1.376	40	0		CDABRM
CCCC1C(=O)N=C(SCC(=O)N(CC)CC)N=C1[O-]	ZINC000013453644	366467994	/nfs/dbraw/zinc/46/79/94/366467994.db2.gz	GLQKSDYJWYVYAX-UHFFFAOYSA-N	-1	0	299.396	1.389	40	0		CDABRM
Cc1c(NS(=O)(=O)N2CCC2)cccc1C(=O)[O-]	ZINC000332463085	204722989	/nfs/dbraw/zinc/72/29/89/204722989.db2.gz	PVOZDSFBFCTTMJ-UHFFFAOYSA-N	-1	0	270.310	1.056	40	0		CDABRM
COc1cc2c(=O)ccn(Cc3nnn[n-]3)c2cc1Cl	ZINC000064874641	374240862	/nfs/dbraw/zinc/24/08/62/374240862.db2.gz	MIQBCRWWIIBOAD-UHFFFAOYSA-N	-1	0	291.698	1.225	40	0		CDABRM
O=C([O-])c1ccccc1CNc1ccn(CCO)n1	ZINC000256050965	190003734	/nfs/dbraw/zinc/00/37/34/190003734.db2.gz	HFAQHTXXQIEINH-UHFFFAOYSA-N	-1	0	261.281	1.186	40	0		CDABRM
O=c1[n-]c(C(F)(F)F)ncc1I	ZINC000217586815	375680185	/nfs/dbraw/zinc/68/01/85/375680185.db2.gz	MPGJOCHFNXQTDW-UHFFFAOYSA-N	-1	0	289.982	1.393	40	0		CDABRM
CC(C)c1ncc(CN[C@H](C)[P@@](=O)([O-])O)cn1	ZINC000218773604	375894591	/nfs/dbraw/zinc/89/45/91/375894591.db2.gz	YBBRTDGONIQYSJ-QMMMGPOBSA-N	-1	0	259.246	1.213	40	0		CDABRM
O=C([O-])[C@@H]1C[C@H]1C(=O)Nc1ccc2ncccc2c1	ZINC000054108219	377346938	/nfs/dbraw/zinc/34/69/38/377346938.db2.gz	PETJXGDSENRIBW-GHMZBOCLSA-N	-1	0	256.261	1.894	40	0		CDABRM
O=C([O-])c1c[nH]c(=S)n(CCc2ccccc2)c1=O	ZINC000020156259	304218510	/nfs/dbraw/zinc/21/85/10/304218510.db2.gz	DOZKGIJTHXRYNT-UHFFFAOYSA-N	-1	0	276.317	1.847	40	0		CDABRM
COC(=O)[C@H]1C[C@@H](C(=O)[O-])[C@@H](c2cccc(F)c2F)N1C	ZINC000012336703	291923537	/nfs/dbraw/zinc/92/35/37/291923537.db2.gz	LSMSYAWGQQYGDR-HLUHBDAQSA-N	-1	0	299.273	1.584	40	0		CDABRM
O=C([O-])c1ccccc1[C@@H]1NC(=O)N[C@H]2OCCC[C@@H]12	ZINC000257281516	304271462	/nfs/dbraw/zinc/27/14/62/304271462.db2.gz	OPOVJWHLUXDOKS-SRVKXCTJSA-N	-1	0	276.292	1.491	40	0		CDABRM
Cc1nc(N2CC[C@@H](C(=O)[O-])C2)cc(C(F)(F)F)n1	ZINC000096516892	390531896	/nfs/dbraw/zinc/53/18/96/390531896.db2.gz	RGRRSDZONZOZSM-SSDOTTSWSA-N	-1	0	275.230	1.715	40	0		CDABRM
Cc1noc(-c2ccnc(N3CC[C@@H](C(=O)[O-])C3)c2)n1	ZINC000096516548	390533895	/nfs/dbraw/zinc/53/38/95/390533895.db2.gz	AIJRGCSMPGTGBS-SNVBAGLBSA-N	-1	0	274.280	1.351	40	0		CDABRM
CC(C)CCn1nc2c(cc1=O)C[C@@H](C(=O)[O-])CC2	ZINC000096531428	390541777	/nfs/dbraw/zinc/54/17/77/390541777.db2.gz	ZBPWIEWYHZXMFN-JTQLQIEISA-N	-1	0	264.325	1.479	40	0		CDABRM
CCOC(=O)c1cc(C(C)=O)c(=O)[nH]c1C(F)(F)F	ZINC000075897717	390682006	/nfs/dbraw/zinc/68/20/06/390682006.db2.gz	LFQWTBBJZMMJRZ-UHFFFAOYSA-N	-1	0	277.198	1.773	40	0		CDABRM
Cc1cc(=O)n(-c2ncnc3c2cnn3-c2ccccc2)[n-]1	ZINC000253495943	391239305	/nfs/dbraw/zinc/23/93/05/391239305.db2.gz	XAPBRLQBLDFXMK-UHFFFAOYSA-N	-1	0	292.302	1.928	40	0		CDABRM
CC(C)(C)OC(=O)Nc1cncc(CC(=O)[O-])n1	ZINC000199745651	397719613	/nfs/dbraw/zinc/71/96/13/397719613.db2.gz	FQRZFNLUBKOBAX-UHFFFAOYSA-N	-1	0	253.258	1.451	40	0		CDABRM
CC[C@@H]1CCCCN1C(=O)[C@H]1[C@@H](C(=O)[O-])[C@H]2CC[C@@H]1O2	ZINC000017008596	287005424	/nfs/dbraw/zinc/00/54/24/287005424.db2.gz	FTIPGQBYOQOVSG-MLGHIDQZSA-N	-1	0	281.352	1.656	40	0		CDABRM
Cc1cccc(NC(=O)[C@@H]2[C@H]3C=C[C@H](O3)[C@@H]2C(=O)[O-])c1C	ZINC000005042611	170059599	/nfs/dbraw/zinc/05/95/99/170059599.db2.gz	BJWYYOGYFQTPEZ-RQJABVFESA-N	-1	0	287.315	1.896	40	0		CDABRM
CC(C)CSC(=S)[N-][C@@H]1CCS(=O)(=O)C1	ZINC000005613916	170119756	/nfs/dbraw/zinc/11/97/56/170119756.db2.gz	KLIMQSQXHZRZIP-MRVPVSSYSA-N	-1	0	267.441	1.437	40	0		CDABRM
O=C([O-])CC[C@@H](O)CC(=O)OCc1ccccc1	ZINC000006580096	170215141	/nfs/dbraw/zinc/21/51/41/170215141.db2.gz	FBTBXSNNOUJHSS-LLVKDONJSA-N	-1	0	252.266	1.346	40	0		CDABRM
Cc1ccc(F)cc1NC(=O)[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)[O-]	ZINC000006741700	170237866	/nfs/dbraw/zinc/23/78/66/170237866.db2.gz	KBTYMRLQHKKWIC-XQHKEYJVSA-N	-1	0	293.294	1.951	40	0		CDABRM
CC(C)(C)Nc1ccc(S(N)(=O)=O)cc1C(=O)[O-]	ZINC000013276926	170541923	/nfs/dbraw/zinc/54/19/23/170541923.db2.gz	XWCGHMKATDZCDV-UHFFFAOYSA-N	-1	0	272.326	1.243	40	0		CDABRM
O=C([O-])CS(=O)(=O)c1ccc(OC(F)(F)F)cc1	ZINC000044225608	175154634	/nfs/dbraw/zinc/15/46/34/175154634.db2.gz	LGCBCGNTLOZMBI-UHFFFAOYSA-N	-1	0	284.211	1.444	40	0		CDABRM
CC(C)(C)OC(=O)N1C[C@@]2(CCO2)C[C@H]1C(=O)[O-]	ZINC000097463422	278417717	/nfs/dbraw/zinc/41/77/17/278417717.db2.gz	XUMMRGIZVMMRIW-QPUJVOFHSA-N	-1	0	257.286	1.240	40	0		CDABRM
COc1ccc(O)c(C(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C)c1	ZINC000263488741	295165611	/nfs/dbraw/zinc/16/56/11/295165611.db2.gz	IANYQNAREAYVLV-ZJUUUORDSA-N	-1	0	293.319	1.726	40	0		CDABRM
Cc1cc(NC(=O)[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C(=O)[O-])nn1C	ZINC000006787263	301358440	/nfs/dbraw/zinc/35/84/40/301358440.db2.gz	KAUMZUIINAYFKC-DMWPJOQESA-N	-1	0	277.324	1.414	40	0		CDABRM
O=C([O-])CC1CCN(C(=O)Cc2ccco2)CC1	ZINC000257633935	602193282	/nfs/dbraw/zinc/19/32/82/602193282.db2.gz	LHJWTMGQUNUXDQ-UHFFFAOYSA-N	-1	0	251.282	1.535	40	0		CDABRM
Cc1cc(C(=O)[O-])nc2cc(Br)nn21	ZINC001548918799	975592144	/nfs/dbraw/zinc/59/21/44/975592144.db2.gz	HUIPGOVQEURHSS-UHFFFAOYSA-N	-1	0	256.059	1.498	40	0		CDABRM
CCn1c2c(cccc2Cl)nc1S(=O)(=O)[O-]	ZINC000095532040	185005068	/nfs/dbraw/zinc/00/50/68/185005068.db2.gz	PHZGNWMXTVNDNG-UHFFFAOYSA-N	-1	0	260.702	1.956	40	0		CDABRM
COc1c(C)cc(/C=C(\NC(C)=O)C(=O)[O-])cc1C	ZINC000669369622	539071606	/nfs/dbraw/zinc/07/16/06/539071606.db2.gz	CLAXGYSKLBBEIU-GHXNOFRVSA-N	-1	0	263.293	1.874	40	0		CDABRM
Cc1[nH]nc(C(=O)[O-])c1Cc1nc(C(C)C)no1	ZINC000072220419	342272960	/nfs/dbraw/zinc/27/29/60/342272960.db2.gz	KGGRQABEJMVFNI-UHFFFAOYSA-N	-1	0	250.258	1.514	40	0		CDABRM
C[C@H](NC(=O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)[O-])c1ccncc1	ZINC000157756490	188336394	/nfs/dbraw/zinc/33/63/94/188336394.db2.gz	JYUHZEVRAUKQCN-SWTDPAGASA-N	-1	0	286.331	1.782	40	0		CDABRM
O=C([O-])[C@@H]1[C@H](C(=O)NC[C@@H]2CCCO2)[C@@H]2CC[C@H]1C2	ZINC000004179811	356021124	/nfs/dbraw/zinc/02/11/24/356021124.db2.gz	QZJPDCZBYMDOCY-IIRVCBMXSA-N	-1	0	267.325	1.029	40	0		CDABRM
CCOc1ccc(-c2nnc(CS(=O)(=O)[O-])o2)cc1	ZINC000408712127	356097516	/nfs/dbraw/zinc/09/75/16/356097516.db2.gz	WLQVGPJDYHDGLR-UHFFFAOYSA-N	-1	0	284.293	1.523	40	0		CDABRM
CCOc1cc(C(=O)[O-])ccc1OCC(=O)N1CCCC1	ZINC000019504318	358502677	/nfs/dbraw/zinc/50/26/77/358502677.db2.gz	KETXEDITERGWCF-UHFFFAOYSA-N	-1	0	293.319	1.785	40	0		CDABRM
Cc1cccc(C(=O)[O-])c1OCC(=O)NC(C)C	ZINC000037729615	356919662	/nfs/dbraw/zinc/91/96/62/356919662.db2.gz	NFSJOTKAQUHHCO-UHFFFAOYSA-N	-1	0	251.282	1.597	40	0		CDABRM
Cc1cc(Cl)nc(N2CCC[C@@H](C(=O)[O-])C2)n1	ZINC000072203174	357827048	/nfs/dbraw/zinc/82/70/48/357827048.db2.gz	AFSSGKHHXOANJP-MRVPVSSYSA-N	-1	0	255.705	1.739	40	0		CDABRM
Nc1cc(F)c([C@@H](N)C(F)(F)F)cc1C(=O)[O-]	ZINC000072195383	357827356	/nfs/dbraw/zinc/82/73/56/357827356.db2.gz	LHACKWDOTMXCME-SSDOTTSWSA-N	-1	0	252.167	1.668	40	0		CDABRM
Nc1nn(-c2ccccc2C(F)(F)F)nc1C(=O)[O-]	ZINC000089263458	358400657	/nfs/dbraw/zinc/40/06/57/358400657.db2.gz	AFZAXJBKEBEDCQ-UHFFFAOYSA-N	-1	0	272.186	1.567	40	0		CDABRM
O=C([O-])[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C(=O)NCc1ccccn1	ZINC000013147470	366450918	/nfs/dbraw/zinc/45/09/18/366450918.db2.gz	NOIMZFNDJUMGEK-LFSVMHDDSA-N	-1	0	274.320	1.445	40	0		CDABRM
O=C1C[C@@H]([P@@](=O)([O-])[C@H](O)c2ccccc2)CO1	ZINC000004837448	358632531	/nfs/dbraw/zinc/63/25/31/358632531.db2.gz	SWWKCGCWCPUTRO-KOLCDFICSA-N	-1	0	256.194	1.263	40	0		CDABRM
N[C@H]1C(=O)[C@@H]2CCCC[C@@H]2C(=O)C1=C([O-])c1ccccc1	ZINC000100488323	358831059	/nfs/dbraw/zinc/83/10/59/358831059.db2.gz	RLMCQGNTVUZGDZ-RFQIPJPRSA-N	-1	0	285.343	1.771	40	0		CDABRM
O=C([O-])Cc1cnc(COc2cccc(Cl)c2)[nH]c1=O	ZINC000217384801	358998275	/nfs/dbraw/zinc/99/82/75/358998275.db2.gz	KGLGNLDPLYEZFH-UHFFFAOYSA-N	-1	0	294.694	1.629	40	0		CDABRM
O=C([O-])CSCc1nnc(-c2cccnc2)o1	ZINC000223766728	359453760	/nfs/dbraw/zinc/45/37/60/359453760.db2.gz	XHTWJKYEOSGRQQ-UHFFFAOYSA-N	-1	0	251.267	1.449	40	0		CDABRM
Cc1nc([N-]S(C)(=O)=O)sc1C(=O)NC(C)(C)C	ZINC000225876919	359627326	/nfs/dbraw/zinc/62/73/26/359627326.db2.gz	LFLDSXZPRCSLAH-UHFFFAOYSA-N	-1	0	291.398	1.351	40	0		CDABRM
CCCN(c1ccccc1C(=O)[O-])S(=O)(=O)CC	ZINC000011804523	360321833	/nfs/dbraw/zinc/32/18/33/360321833.db2.gz	NEGAEDUWUZBOLI-UHFFFAOYSA-N	-1	0	271.338	1.951	40	0		CDABRM
COn1c(-c2ccc(F)cc2)nc(C)c1C(=O)[O-]	ZINC000575410911	364755072	/nfs/dbraw/zinc/75/50/72/364755072.db2.gz	LEDLMQZVQPLZTE-UHFFFAOYSA-N	-1	0	250.229	1.754	40	0		CDABRM
CCCc1nnc(SCC(=O)[O-])n1C[C@@H]1CCCO1	ZINC000001355851	284125129	/nfs/dbraw/zinc/12/51/29/284125129.db2.gz	QEKJKAHIKVVFBF-VIFPVBQESA-N	-1	0	285.369	1.586	40	0		CDABRM
O=C([O-])[C@@](O)(c1ccccc1)C1(O)CCCCC1	ZINC000016931967	304163080	/nfs/dbraw/zinc/16/30/80/304163080.db2.gz	JHSGNXKLHOYLKC-AWEZNQCLSA-N	-1	0	250.294	1.654	40	0		CDABRM
Cc1cc(=O)[nH]c(N[C@@H](Cc2ccccc2)C(=O)[O-])n1	ZINC000226823186	375401359	/nfs/dbraw/zinc/40/13/59/375401359.db2.gz	BZMSUPHAIWRXOK-NSHDSACASA-N	-1	0	273.292	1.186	40	0		CDABRM
COC[C@@]1(C(=O)[O-])C[C@H]1S(=O)(=O)c1ccc(C)cc1	ZINC000217992576	375773644	/nfs/dbraw/zinc/77/36/44/375773644.db2.gz	DVQIKIPZFVCAGG-YPMHNXCESA-N	-1	0	284.333	1.258	40	0		CDABRM
O=C([O-])CCOc1ccc2nc3n(c(=O)c2c1)CCC3	ZINC000218788056	375896332	/nfs/dbraw/zinc/89/63/32/375896332.db2.gz	HZWRFBJTEYLZMU-UHFFFAOYSA-N	-1	0	274.276	1.196	40	0		CDABRM
CC(C)C[C@@H]([NH2+]Cc1ccccc1OCC(=O)[O-])C(=O)[O-]	ZINC000062716873	256723637	/nfs/dbraw/zinc/72/36/37/256723637.db2.gz	TZHJAZKKQOVEIT-GFCCVEGCSA-N	-1	0	295.335	1.739	40	0		CDABRM
COc1ccc(C2=NO[C@](C)(C(=O)[O-])C2)c(OC)c1	ZINC000071981049	390543422	/nfs/dbraw/zinc/54/34/22/390543422.db2.gz	IXNSBTZNLYBYQH-ZDUSSCGKSA-N	-1	0	265.265	1.672	40	0		CDABRM
Cc1cc(C(F)(F)F)ccc1S(=O)(=O)NCC(=O)[O-]	ZINC000261932459	131178776	/nfs/dbraw/zinc/17/87/76/131178776.db2.gz	ISVQWQQIHIOCDE-UHFFFAOYSA-N	-1	0	297.254	1.377	40	0		CDABRM
O=S(=O)([O-])CCCCn1cnc2ccccc21	ZINC000006403028	170198856	/nfs/dbraw/zinc/19/88/56/170198856.db2.gz	SKISEDDHMMVXAQ-UHFFFAOYSA-N	-1	0	254.311	1.704	40	0		CDABRM
O=C([O-])C[C@H]1SC(=O)N(c2cccc(O)c2)C1=O	ZINC000036635224	172642999	/nfs/dbraw/zinc/64/29/99/172642999.db2.gz	LIBGEOAQJYXLNM-MRVPVSSYSA-N	-1	0	267.262	1.435	40	0		CDABRM
CCOC(=O)C1=NN(c2ccc(CC)cc2)[C@@H](C(=O)[O-])C1	ZINC000071979416	176307604	/nfs/dbraw/zinc/30/76/04/176307604.db2.gz	ZDDUISICQHOYNZ-CYBMUJFWSA-N	-1	0	290.319	1.831	40	0		CDABRM
O=C([O-])CCc1nc(C(Cl)(Cl)Cl)no1	ZINC000078401021	177337468	/nfs/dbraw/zinc/33/74/68/177337468.db2.gz	CDYLGTLGGXERGT-UHFFFAOYSA-N	-1	0	259.476	1.914	40	0		CDABRM
CC(C)(C)OC(=O)N1CCC[C@@]2(C[C@H](C(=O)[O-])CO2)C1	ZINC000091303332	278393631	/nfs/dbraw/zinc/39/36/31/278393631.db2.gz	PDXXKWSPNUKXNX-IINYFYTJSA-N	-1	0	285.340	1.877	40	0		CDABRM
CC(C)(C)OC(=O)N1CCCn2nc(C(=O)[O-])cc2C1	ZINC000095628348	278397502	/nfs/dbraw/zinc/39/75/02/278397502.db2.gz	BAOVIKKQYWXNLP-UHFFFAOYSA-N	-1	0	281.312	1.722	40	0		CDABRM
Cc1cccc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])n1	ZINC000004030167	302003726	/nfs/dbraw/zinc/00/37/26/302003726.db2.gz	LEBDTPXPEMGCGI-DNIRFERGSA-N	-1	0	272.304	1.851	40	0		CDABRM
Cc1cnn2c1nc(-c1cn(C)nc1C)cc2C(=O)[O-]	ZINC000095098674	302404590	/nfs/dbraw/zinc/40/45/90/302404590.db2.gz	CXCQJKZQHVTIMM-UHFFFAOYSA-N	-1	0	271.280	1.445	40	0		CDABRM
O=C([O-])[C@H]1CC[C@@H](NC(=O)c2ccc3c(c2)CCO3)C1	ZINC000097054608	1174596267	/nfs/dbraw/zinc/59/62/67/1174596267.db2.gz	VIEDEEBSGHSHLW-NWDGAFQWSA-N	-1	0	275.304	1.605	40	0		CDABRM
CNc1nc(C(=O)NC2(C(=O)[O-])CCCCCC2)cs1	ZINC000384734027	939132014	/nfs/dbraw/zinc/13/20/14/939132014.db2.gz	KILPZMLFOROXKO-UHFFFAOYSA-N	-1	0	297.380	1.514	40	0		CDABRM
Cc1ccc(-c2cc(C(=O)[O-])c(=O)n(C)n2)cc1C	ZINC000082452556	178031524	/nfs/dbraw/zinc/03/15/24/178031524.db2.gz	YDILLFKLYUPBRR-UHFFFAOYSA-N	-1	0	258.277	1.762	40	0		CDABRM
O=C([O-])c1cc(S(=O)(=O)NC2CCCC2)ccc1O	ZINC000013196930	362631936	/nfs/dbraw/zinc/63/19/36/362631936.db2.gz	ODPPQLNNOFCXAE-UHFFFAOYSA-N	-1	0	285.321	1.311	40	0		CDABRM
O=C(NC1C(=O)NC(=S)N=C1[O-])c1ccccc1	ZINC000016957958	303996595	/nfs/dbraw/zinc/99/65/95/303996595.db2.gz	KPSSUDWBZBAXIH-UHFFFAOYSA-N	-1	0	263.278	1.803	40	0		CDABRM
CNc1nn(-c2ccccc2Cl)nc1C(=O)[O-]	ZINC000256046762	350907917	/nfs/dbraw/zinc/90/79/17/350907917.db2.gz	HXHJSFLMMNIDFV-UHFFFAOYSA-N	-1	0	252.661	1.661	40	0		CDABRM
CCCOc1ccc([C@H]2CNC(=O)[C@@H]2C(=O)[O-])cc1	ZINC000256049532	350908825	/nfs/dbraw/zinc/90/88/25/350908825.db2.gz	AIRCNCNQAXXEQT-VXGBXAGGSA-N	-1	0	263.293	1.390	40	0		CDABRM
CCS(=O)(=O)Nc1ccn(Cc2ccccc2F)n1	ZINC000014230084	366135332	/nfs/dbraw/zinc/13/53/32/366135332.db2.gz	MLAPZRXBKFXLGZ-UHFFFAOYSA-N	-1	0	283.328	1.832	40	0		CDABRM
CC1=CC[C@H]2C(=O)N([C@@H](CC(C)C)C(=O)[O-])C(=O)[C@H]2C1	ZINC000004017436	356015227	/nfs/dbraw/zinc/01/52/27/356015227.db2.gz	MZXRNJVEPRVAOA-WOPDTQHZSA-N	-1	0	279.336	1.827	40	0		CDABRM
O=C([O-])C1CCN(CN2C(=O)c3ccccc3C2=O)CC1	ZINC000013547292	356348353	/nfs/dbraw/zinc/34/83/53/356348353.db2.gz	DHESFYZHRPTRCO-UHFFFAOYSA-N	-1	0	288.303	1.037	40	0		CDABRM
Cc1ccc(-n2c(=O)c(CC(=O)[O-])c[nH]c2=S)cc1	ZINC000020156329	356527747	/nfs/dbraw/zinc/52/77/47/356527747.db2.gz	OKCWQAHNLJIRCE-UHFFFAOYSA-N	-1	0	276.317	1.831	40	0		CDABRM
O=c1[n-]n(C[C@@H]2CCSC2)c(=O)c2c1CCCC2	ZINC000634629345	356597350	/nfs/dbraw/zinc/59/73/50/356597350.db2.gz	RZSILKQIAZQMSP-VIFPVBQESA-N	-1	0	266.366	1.581	40	0		CDABRM
O=C(OCc1ccccc1)N1CCC[C@H]1Cc1nnn[n-]1	ZINC000026895431	356700423	/nfs/dbraw/zinc/70/04/23/356700423.db2.gz	YQFBRJAXXJJRQY-LBPRGKRZSA-N	-1	0	287.323	1.543	40	0		CDABRM
C[Si](C)(C)n1[nH][n-]c2c(=O)n(-c3ccccc3)c(=O)c1=2	ZINC000195770646	358325947	/nfs/dbraw/zinc/32/59/47/358325947.db2.gz	FAVFYPSADZQLKE-GHMZBOCLSA-N	-1	0	288.383	1.815	40	0		CDABRM
O=S(=O)([O-])CCCNN=c1[nH]c2ccccc2s1	ZINC000003159065	359058314	/nfs/dbraw/zinc/05/83/14/359058314.db2.gz	AREJKVBOWNFUNZ-UHFFFAOYSA-N	-1	0	287.366	1.491	40	0		CDABRM
O=C([O-])Cc1cc(NCCc2ccccc2)ncn1	ZINC000225010107	359544059	/nfs/dbraw/zinc/54/40/59/359544059.db2.gz	XFLADALZNHQEER-UHFFFAOYSA-N	-1	0	257.293	1.758	40	0		CDABRM
CC(=O)c1cc(C(=O)[O-])c(=O)n(-c2cccc(C)c2C)n1	ZINC000225965876	359636057	/nfs/dbraw/zinc/63/60/57/359636057.db2.gz	SRRHIBICQDMKGJ-UHFFFAOYSA-N	-1	0	286.287	1.750	40	0		CDABRM
Cc1nc(C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])co1	ZINC000226106886	359648887	/nfs/dbraw/zinc/64/88/87/359648887.db2.gz	AOMKGGOTPVZIMF-LLVKDONJSA-N	-1	0	274.276	1.409	40	0		CDABRM
C[C@@]1(CBr)[C@H](C(N)=O)CC[C@]1(C)C(=O)[O-]	ZINC000033695802	360099914	/nfs/dbraw/zinc/09/99/14/360099914.db2.gz	GDVKTHPEYJKGGD-WQGWLQIFSA-N	-1	0	278.146	1.374	40	0		CDABRM
CCCC[C@H](Sc1n[nH]c(=O)[n-]c1=O)C(=O)OCC	ZINC000017110034	363973540	/nfs/dbraw/zinc/97/35/40/363973540.db2.gz	PJAKCSDMFBSXFZ-ZETCQYMHSA-N	-1	0	287.341	1.497	40	0		CDABRM
COc1cccc(/C=C\[N+](=O)[O-])c1O[C@H](C)C(=O)[O-]	ZINC000409226961	363973575	/nfs/dbraw/zinc/97/35/75/363973575.db2.gz	OCHWTWSLKPBSGN-NFXKFNAJSA-N	-1	0	267.237	1.795	40	0		CDABRM
CCOc1ccccc1/C=C1/NC(=O)N(CC(=O)[O-])C1=O	ZINC000005018819	364821981	/nfs/dbraw/zinc/82/19/81/364821981.db2.gz	GAPRLIRLEDOSSI-JXMROGBWSA-N	-1	0	290.275	1.063	40	0		CDABRM
CCc1ccc([C@H]2[C@@H](S(=O)(=O)CC)[C@@H]2C(=O)[O-])cc1	ZINC000218396976	367181366	/nfs/dbraw/zinc/18/13/66/367181366.db2.gz	HJURKDHJIUTJKE-JHJVBQTASA-N	-1	0	282.361	1.850	40	0		CDABRM
O=C([O-])C[C@H](CC(=O)NC[C@H]1CCCO1)c1ccccc1	ZINC000057604252	375538729	/nfs/dbraw/zinc/53/87/29/375538729.db2.gz	YLEVLXXTMUYRAR-UONOGXRCSA-N	-1	0	291.347	1.930	40	0		CDABRM
O=C([O-])[C@H]1[C@@H](C(=O)NC2CCCCC2)[C@H]2CC[C@@H]1O2	ZINC000013146856	304209824	/nfs/dbraw/zinc/20/98/24/304209824.db2.gz	ZAWJFWINTRTJRS-NOOOWODRSA-N	-1	0	267.325	1.314	40	0		CDABRM
O=C([O-])c1cnc(-c2ccccc2)n(C2CC2)c1=O	ZINC000217679500	304275235	/nfs/dbraw/zinc/27/52/35/304275235.db2.gz	LWVOIVDMOLSRBY-UHFFFAOYSA-N	-1	0	256.261	1.943	40	0		CDABRM
Cc1nc(-n2cnc(C(=O)[O-])c2)cc(C(F)(F)F)n1	ZINC000096517356	390533243	/nfs/dbraw/zinc/53/32/43/390533243.db2.gz	RFFCVIFSTSCIFF-UHFFFAOYSA-N	-1	0	272.186	1.688	40	0		CDABRM
O=C([O-])[C@@H]1CN[C@H](c2cc3c(cc2Cl)OCO3)S1	ZINC000408976482	390971231	/nfs/dbraw/zinc/97/12/31/390971231.db2.gz	FSXLKURSWFYHNN-UWVGGRQHSA-N	-1	0	287.724	1.857	40	0		CDABRM
CCC(=C([O-])c1cccc(N)c1)S(=O)(=O)CC	ZINC000096518078	393188994	/nfs/dbraw/zinc/18/89/94/393188994.db2.gz	GCRMKKLYZQFVHP-LLVKDONJSA-N	-1	0	255.339	1.665	40	0		CDABRM
C[C@H](Oc1ccc2c(c1)[C@H]1CCO[C@H]1O2)C(=O)[O-]	ZINC000242498666	393195396	/nfs/dbraw/zinc/19/53/96/393195396.db2.gz	HMZHPDRSJJCXBS-HBSDOPKDSA-N	-1	0	250.250	1.761	40	0		CDABRM
CCO[C@@H](C)C(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1	ZINC000262445208	286189364	/nfs/dbraw/zinc/18/93/64/286189364.db2.gz	ONZYXKKOJBUXDX-VHSXEESVSA-N	-1	0	255.314	1.125	40	0		CDABRM
CCOc1ccc(-n2nc(C(=O)[O-])cc(Cl)c2=O)cc1	ZINC000001705006	169746161	/nfs/dbraw/zinc/74/61/61/169746161.db2.gz	MKSDUSAAZSXIEV-UHFFFAOYSA-N	-1	0	294.694	1.983	40	0		CDABRM
CC(=O)NC(=S)Nc1ccc(Cl)cc1C(=O)[O-]	ZINC000005817094	170143050	/nfs/dbraw/zinc/14/30/50/170143050.db2.gz	BAAFALVWHVQWOY-UHFFFAOYSA-N	-1	0	272.713	1.871	40	0		CDABRM
O=C([O-])[C@@H]1[C@@H](C(=O)NCc2cccs2)[C@H]2C=C[C@@H]1O2	ZINC000006726055	170232786	/nfs/dbraw/zinc/23/27/86/170232786.db2.gz	QYLRKLRVQQRJDU-RCWTZXSCSA-N	-1	0	279.317	1.019	40	0		CDABRM
CCCc1nn(CC(=O)[O-])c(=O)c2cc3ccsc3n21	ZINC000012181619	170472184	/nfs/dbraw/zinc/47/21/84/170472184.db2.gz	KSHMVISMAHNWOV-UHFFFAOYSA-N	-1	0	291.332	1.748	40	0		CDABRM
COc1ccc(-c2cnn3c2nnc(C(=O)[O-])c3C)cc1	ZINC000020343092	171153598	/nfs/dbraw/zinc/15/35/98/171153598.db2.gz	FWINTGZAKNQONV-UHFFFAOYSA-N	-1	0	284.275	1.807	40	0		CDABRM
CCS(=O)(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-]	ZINC000022149729	171358118	/nfs/dbraw/zinc/35/81/18/171358118.db2.gz	CJEBULRTJPKVLZ-LBPRGKRZSA-N	-1	0	296.348	1.103	40	0		CDABRM
Nc1ccc(-c2ccnc3nc(CCC(=O)[O-])nn32)cc1	ZINC000022637848	171395143	/nfs/dbraw/zinc/39/51/43/171395143.db2.gz	UFRDAHSABKRMPT-UHFFFAOYSA-N	-1	0	283.291	1.391	40	0		CDABRM
O=C([O-])Cc1nc2nc(C3CC3)cc(C(F)F)n2n1	ZINC000035655496	172331295	/nfs/dbraw/zinc/33/12/95/172331295.db2.gz	YKCIHSSTTRPHKI-UHFFFAOYSA-N	-1	0	268.223	1.566	40	0		CDABRM
COCCCNS(=O)(=O)c1cc(C(=O)[O-])ccc1C	ZINC000035670868	172343029	/nfs/dbraw/zinc/34/30/29/172343029.db2.gz	IYLUAHFYYFGREM-UHFFFAOYSA-N	-1	0	287.337	1.008	40	0		CDABRM
COc1cccc([C@@H]2[C@@H](C(=O)[O-])CC(=O)N2C2CC2)c1	ZINC000045922776	175386522	/nfs/dbraw/zinc/38/65/22/175386522.db2.gz	CLJPQWVXKXAHGQ-GXTWGEPZSA-N	-1	0	275.304	1.832	40	0		CDABRM
CCOC(=O)C1=NN(c2cccc(C)c2)[C@](C)(C(=O)[O-])C1	ZINC000071979548	176307611	/nfs/dbraw/zinc/30/76/11/176307611.db2.gz	UFQPAVQXCULMLX-HNNXBMFYSA-N	-1	0	290.319	1.968	40	0		CDABRM
CC(=O)N1CCCC[C@H]1c1cc(CCC(=O)[O-])nc(C)n1	ZINC000072363404	176377611	/nfs/dbraw/zinc/37/76/11/176377611.db2.gz	MQLLXGJUXYKIDH-AWEZNQCLSA-N	-1	0	291.351	1.876	40	0		CDABRM
Cc1noc(C)c1C(=O)NCc1nc(C)c(C(=O)[O-])s1	ZINC000110788543	483187150	/nfs/dbraw/zinc/18/71/50/483187150.db2.gz	DFUAXMYMWQVBPY-UHFFFAOYSA-N	-1	0	295.320	1.685	40	0		CDABRM
Cc1noc(C)c1C(=O)N(CCC(=O)[O-])CC1CC1	ZINC000671667083	483310598	/nfs/dbraw/zinc/31/05/98/483310598.db2.gz	YMPIXSSSBYGGNK-UHFFFAOYSA-N	-1	0	266.297	1.618	40	0		CDABRM
CCn1cc(C(=O)[O-])c(=O)c2c(F)ccc(F)c21	ZINC000062624998	523349007	/nfs/dbraw/zinc/34/90/07/523349007.db2.gz	DUBIJMXESGSNEH-UHFFFAOYSA-N	-1	0	253.204	1.998	40	0		CDABRM
COc1ccc(S(=O)(=O)[N-]c2nc(C)cs2)cc1C	ZINC000074932259	567903591	/nfs/dbraw/zinc/90/35/91/567903591.db2.gz	IWGCIRRYIYBLJY-UHFFFAOYSA-N	-1	0	298.389	1.991	40	0		CDABRM
CC(=O)C1=C[C@@H](c2ccccc2)C(=O)[C@H]1CC(=O)[O-]	ZINC000028628924	1165708411	/nfs/dbraw/zinc/70/84/11/1165708411.db2.gz	GHSGDWNOMJQCAX-STQMWFEESA-N	-1	0	258.273	1.959	40	0		CDABRM
CCc1nn2c([n-]1)nc(-c1ccccc1OC)cc2=O	ZINC000016991787	529747408	/nfs/dbraw/zinc/74/74/08/529747408.db2.gz	DWEBKHUCFPEWMD-UHFFFAOYSA-N	-1	0	270.292	1.656	40	0		CDABRM
COc1ccc(OC)c([C@@H]2OC(=O)C[C@H]2C(=O)[O-])c1	ZINC000085394111	179048462	/nfs/dbraw/zinc/04/84/62/179048462.db2.gz	GWESMYFANLOKEZ-SKDRFNHKSA-N	-1	0	266.249	1.393	40	0		CDABRM
COc1cc([C@@H]2OC(=O)C[C@H]2C(=O)[O-])ccc1O	ZINC000085394142	179048734	/nfs/dbraw/zinc/04/87/34/179048734.db2.gz	GCHAZABUIJYWGJ-HQJQHLMTSA-N	-1	0	252.222	1.090	40	0		CDABRM
CCc1c(C)nc2n(c1=O)[C@H](CC(=O)[O-])CS2	ZINC000061968087	362958164	/nfs/dbraw/zinc/95/81/64/362958164.db2.gz	RYWGZZLPAMJIJY-SSDOTTSWSA-N	-1	0	254.311	1.236	40	0		CDABRM
O=C([O-])C[C@H]1CCCCN1C(=O)c1cccc2c1OCO2	ZINC000621620399	350677194	/nfs/dbraw/zinc/67/71/94/350677194.db2.gz	FKLLAGVZNNJWOX-SNVBAGLBSA-N	-1	0	291.303	1.885	40	0		CDABRM
O=C([O-])CCCCCCCCCCS(=O)(=O)CCO	ZINC000004429805	304046417	/nfs/dbraw/zinc/04/64/17/304046417.db2.gz	FAGKMELUNSTSDN-UHFFFAOYSA-N	-1	0	294.413	1.989	40	0		CDABRM
C=CC(=O)N[C@@H](CSCc1ccccc1)C(=O)[O-]	ZINC000001677648	355947317	/nfs/dbraw/zinc/94/73/17/355947317.db2.gz	AWPFZZAYRVQWDT-NSHDSACASA-N	-1	0	265.334	1.675	40	0		CDABRM
CC[C@@H](C)Cn1cnc2c1nc(N)nc2SCC(=O)[O-]	ZINC000002047128	355959185	/nfs/dbraw/zinc/95/91/85/355959185.db2.gz	YBYHUQLRHZLSOL-SSDOTTSWSA-N	-1	0	295.368	1.631	40	0		CDABRM
CC(C)c1cc(CS(=O)(=O)CCC(=O)[O-])no1	ZINC000012398793	356297827	/nfs/dbraw/zinc/29/78/27/356297827.db2.gz	TZFFZAVUENGYGW-UHFFFAOYSA-N	-1	0	261.299	1.188	40	0		CDABRM
C[C@@](O)(C(=O)[O-])c1c(F)c(F)c(F)c(F)c1F	ZINC000075866499	356945561	/nfs/dbraw/zinc/94/55/61/356945561.db2.gz	WUZCIOPGQKBZLG-VIFPVBQESA-N	-1	0	256.126	1.674	40	0		CDABRM
O=C([O-])C[C@H](CC(=O)N1CCOCC1)c1ccc(F)cc1	ZINC000057623140	304081406	/nfs/dbraw/zinc/08/14/06/304081406.db2.gz	QGURUHKFQAECGP-LBPRGKRZSA-N	-1	0	295.310	1.633	40	0		CDABRM
O=C([O-])Cc1ccc(N2C(=O)[C@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2=O)cc1	ZINC000004904866	304089182	/nfs/dbraw/zinc/08/91/82/304089182.db2.gz	YXCSCYFTUQFQGM-JLUCKKNBSA-N	-1	0	299.326	1.849	40	0		CDABRM
O=C([O-])CN1CCn2nc(-c3ccccc3)cc2C1=O	ZINC000049454689	363997387	/nfs/dbraw/zinc/99/73/87/363997387.db2.gz	IMVLJQFQONCHHZ-UHFFFAOYSA-N	-1	0	271.276	1.091	40	0		CDABRM
COCCN1C(=O)C[C@@H](C(=O)[O-])[C@@H]1c1ccc(OC)cc1	ZINC000049466731	364011188	/nfs/dbraw/zinc/01/11/88/364011188.db2.gz	SJZOECFDVQEXBI-OCCSQVGLSA-N	-1	0	293.319	1.316	40	0		CDABRM
O=C([O-])CS(=O)(=O)Cc1cccc(C(F)(F)F)c1	ZINC000034963810	364352032	/nfs/dbraw/zinc/35/20/32/364352032.db2.gz	JVAAFURJTCJKKB-UHFFFAOYSA-N	-1	0	282.239	1.705	40	0		CDABRM
CC(C)(C)OC(=O)N(CCC(=O)[O-])C[C@@H]1CCCO1	ZINC000005066745	365056266	/nfs/dbraw/zinc/05/62/66/365056266.db2.gz	KKKDGKJWBQFUIX-JTQLQIEISA-N	-1	0	273.329	1.877	40	0		CDABRM
COc1ccccc1NC(=O)[C@@H]1[C@@H](C(=O)[O-])[C@H]2C=C[C@@H]1O2	ZINC000169299435	365036049	/nfs/dbraw/zinc/03/60/49/365036049.db2.gz	RXUSSKXDZAVMFJ-RNJOBUHISA-N	-1	0	289.287	1.288	40	0		CDABRM
O=C([O-])[C@@H]1[C@@H](Oc2ccccc2)C(=O)N1c1ccccc1	ZINC000218275105	365255264	/nfs/dbraw/zinc/25/52/64/365255264.db2.gz	DZYWAMXNFIUTAA-UONOGXRCSA-N	-1	0	283.283	1.934	40	0		CDABRM
CCS(=O)(=O)c1cc(CCC(=O)[O-])ccc1OC	ZINC000218301539	365378340	/nfs/dbraw/zinc/37/83/40/365378340.db2.gz	UVGIFISDXLFUPQ-UHFFFAOYSA-N	-1	0	272.322	1.506	40	0		CDABRM
C[C@H](C(=O)[O-])n1ncc2ccc(Br)cc2c1=O	ZINC000095095818	374868795	/nfs/dbraw/zinc/86/87/95/374868795.db2.gz	OJENRWGSTPFDMT-ZCFIWIBFSA-N	-1	0	297.108	1.805	40	0		CDABRM
O=C([O-])C[C@H](CC(=O)NCCCO)c1ccccc1	ZINC000226750145	375394351	/nfs/dbraw/zinc/39/43/51/375394351.db2.gz	TVETUURFFCHMQS-LBPRGKRZSA-N	-1	0	265.309	1.134	40	0		CDABRM
O=C([O-])CCc1nnc2ccc(-c3ccc(F)cc3)nn21	ZINC000058021806	375637376	/nfs/dbraw/zinc/63/73/76/375637376.db2.gz	GHYULQDTXBDXPP-UHFFFAOYSA-N	-1	0	286.266	1.948	40	0		CDABRM
CCc1ccc([C@H]2[C@H](C(=O)[O-])[C@@H]2S(C)(=O)=O)cc1	ZINC000218368637	375819530	/nfs/dbraw/zinc/81/95/30/375819530.db2.gz	MJYNCRFVIOEMOU-SDDRHHMPSA-N	-1	0	268.334	1.460	40	0		CDABRM
CN(CCn1cc(C(=O)[O-])ccc1=O)c1ccccc1	ZINC000257273838	190024850	/nfs/dbraw/zinc/02/48/50/190024850.db2.gz	NILQDEDDZQNOLG-UHFFFAOYSA-N	-1	0	272.304	1.683	40	0		CDABRM
O=C([O-])CCOc1ccc2nc3n(c(=O)c2c1)CCCC3	ZINC000218787946	375896362	/nfs/dbraw/zinc/89/63/62/375896362.db2.gz	FEJCMQGLMMAYMT-UHFFFAOYSA-N	-1	0	288.303	1.586	40	0		CDABRM
O=C([O-])[C@H]1[C@@H](C(=O)Nc2ccc(Cl)cc2)[C@H]2C=C[C@@H]1O2	ZINC000028111318	304209737	/nfs/dbraw/zinc/20/97/37/304209737.db2.gz	ONILNZAYAKHDQE-NOOOWODRSA-N	-1	0	293.706	1.933	40	0		CDABRM
O=C([O-])CCn1nnc(-c2ccccc2Cl)n1	ZINC000077435066	184592146	/nfs/dbraw/zinc/59/21/46/184592146.db2.gz	CRERBMKFBOOFNZ-UHFFFAOYSA-N	-1	0	252.661	1.468	40	0		CDABRM
CSc1ccc([C@@H]2N[C@H](C(=O)[O-])Cc3[nH]cnc32)cc1	ZINC000070503695	390607775	/nfs/dbraw/zinc/60/77/75/390607775.db2.gz	TXRSYOLHAWNWCC-RYUDHWBXSA-N	-1	0	289.360	1.820	40	0		CDABRM
Cc1ccc(N2C(=O)N[C@@H](CC(=O)[O-])C2=O)cc1C	ZINC000218711756	130770235	/nfs/dbraw/zinc/77/02/35/130770235.db2.gz	VVRLUBLSFNRYSB-JTQLQIEISA-N	-1	0	262.265	1.203	40	0		CDABRM
CC1=C(C(=O)[O-])[C@@H](c2ccc(F)c(F)c2)NC(=O)N1	ZINC000039044151	397829959	/nfs/dbraw/zinc/82/99/59/397829959.db2.gz	BYHLVBRHNYDQMW-SNVBAGLBSA-N	-1	0	268.219	1.677	40	0		CDABRM
O=C([O-])CCCCNS(=O)(=O)c1ccc(Cl)cc1	ZINC000016429137	170697617	/nfs/dbraw/zinc/69/76/17/170697617.db2.gz	VHYWNPFQQRZPJH-UHFFFAOYSA-N	-1	0	291.756	1.873	40	0		CDABRM
CCCC(=O)NC(=S)NCc1ccc(C(=O)[O-])cc1	ZINC000020151268	171037832	/nfs/dbraw/zinc/03/78/32/171037832.db2.gz	SRCWFUPMUMKOBH-UHFFFAOYSA-N	-1	0	280.349	1.676	40	0		CDABRM
Cc1ccc(-n2c(=O)[nH]cc(CC(=O)[O-])c2=O)cc1Cl	ZINC000020156435	171039642	/nfs/dbraw/zinc/03/96/42/171039642.db2.gz	GTMGYYADMZUEES-UHFFFAOYSA-N	-1	0	294.694	1.115	40	0		CDABRM
CCCNS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1	ZINC000021949115	171338893	/nfs/dbraw/zinc/33/88/93/171338893.db2.gz	ZGPHSBLYZVGFPG-UHFFFAOYSA-N	-1	0	261.274	1.212	40	0		CDABRM
O=C([O-])[C@@]1(NC(=O)OCc2ccccc2)CC1(F)F	ZINC000047845069	175414649	/nfs/dbraw/zinc/41/46/49/175414649.db2.gz	PMJPXVCYHODXGE-NSHDSACASA-N	-1	0	271.219	1.775	40	0		CDABRM
Cc1ccc(I)c(C(=O)[O-])n1	ZINC000071256476	301617555	/nfs/dbraw/zinc/61/75/55/301617555.db2.gz	ZYEDENHUKGWSDP-UHFFFAOYSA-N	-1	0	263.034	1.693	40	0		CDABRM
CCOc1ccc(/C=C/C(=O)NCCC(=O)[O-])cc1OC	ZINC000062714556	520844951	/nfs/dbraw/zinc/84/49/51/520844951.db2.gz	IZOSGXXVZYVOAX-FNORWQNLSA-N	-1	0	293.319	1.698	40	0		CDABRM
CCOC(=O)c1cc(C(=O)[O-])n(CC(F)(F)F)n1	ZINC000408717541	528157382	/nfs/dbraw/zinc/15/73/82/528157382.db2.gz	GQJCOLAVHYDKMW-UHFFFAOYSA-N	-1	0	266.175	1.320	40	0		CDABRM
CC[C@H](C)[C@H](NS(=O)(=O)c1ccsc1)C(=O)[O-]	ZINC000262124900	535981710	/nfs/dbraw/zinc/98/17/10/535981710.db2.gz	MWRDZYOSRQAIGA-CBAPKCEASA-N	-1	0	277.367	1.526	40	0		CDABRM
O=C([O-])COc1cccc(NC(=O)C[C@H]2CCCOC2)c1	ZINC000909127775	628524900	/nfs/dbraw/zinc/52/49/00/628524900.db2.gz	XMBIMELWUUOXKC-LLVKDONJSA-N	-1	0	293.319	1.905	40	0		CDABRM
CN1C(=O)CC[C@H](C(=O)[O-])[C@@H]1c1cccc(F)c1	ZINC000070272343	1171655229	/nfs/dbraw/zinc/65/52/29/1171655229.db2.gz	UMLQXZLKUSJZPA-JQWIXIFHSA-N	-1	0	251.257	1.820	40	0		CDABRM
Cn1cccc1C(=O)N[C@H](CC(=O)[O-])C(F)(F)F	ZINC000829371243	926269856	/nfs/dbraw/zinc/26/98/56/926269856.db2.gz	NJFCZMMAKZQZJZ-SSDOTTSWSA-N	-1	0	264.203	1.161	40	0		CDABRM
CS(=O)(=O)N1CCC(c2cccc(C(=O)[O-])c2)CC1	ZINC000616449917	342107670	/nfs/dbraw/zinc/10/76/70/342107670.db2.gz	NYGZIOLQBXYUJP-UHFFFAOYSA-N	-1	0	283.349	1.524	40	0		CDABRM
COC[C@]1(C(=O)[O-])CCCN1C(=O)CC[C@@H]1CCCO1	ZINC000643849978	361936831	/nfs/dbraw/zinc/93/68/31/361936831.db2.gz	IWSKDSHNSBDGPU-FZMZJTMJSA-N	-1	0	285.340	1.038	40	0		CDABRM
CC(C)(C)OC(=O)C(C)(C)n1ccc(C(=O)[O-])n1	ZINC000408716771	365728458	/nfs/dbraw/zinc/72/84/58/365728458.db2.gz	QTGJPTIMANGRJX-UHFFFAOYSA-N	-1	0	254.286	1.658	40	0		CDABRM
CC(C)(C)OC(=O)CCCn1cc(C(=O)[O-])cn1	ZINC000408715350	365728801	/nfs/dbraw/zinc/72/88/01/365728801.db2.gz	AZAZYHUCNQEIJL-UHFFFAOYSA-N	-1	0	254.286	1.703	40	0		CDABRM
CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](C1)[C@@H]2C(=O)[O-]	ZINC000253189332	342412238	/nfs/dbraw/zinc/41/22/38/342412238.db2.gz	YKUHLURNVRVYFU-MYJAWHEDSA-N	-1	0	255.314	1.964	40	0		CDABRM
O=C1[N-]C(=O)N(C2CCCC2)C(=O)/C1=C\c1ccc[nH]1	ZINC000000555246	346025062	/nfs/dbraw/zinc/02/50/62/346025062.db2.gz	WQBMEMGHJGYMLI-FLIBITNWSA-N	-1	0	273.292	1.419	40	0		CDABRM
O=C([O-])c1nn(-c2ccc(Cl)cn2)nc1Cl	ZINC000089261770	179762035	/nfs/dbraw/zinc/76/20/35/179762035.db2.gz	NAXHTSBNHURPHK-UHFFFAOYSA-N	-1	0	259.052	1.667	40	0		CDABRM
O=c1[n-]nnn1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1	ZINC000118197122	349340337	/nfs/dbraw/zinc/34/03/37/349340337.db2.gz	PFZJZVGDOMCNOZ-UHFFFAOYSA-N	-1	0	298.146	1.993	40	0		CDABRM
Cc1ccc(-n2nc(C(=O)[O-])c(N3CCOCC3)n2)cc1	ZINC000256047095	350907763	/nfs/dbraw/zinc/90/77/63/350907763.db2.gz	KHLWLTJZVFJARG-UHFFFAOYSA-N	-1	0	288.307	1.111	40	0		CDABRM
Cc1cc(F)ccc1C(=O)N[C@H](C)[C@H](C)C(=O)[O-]	ZINC000132924913	187654740	/nfs/dbraw/zinc/65/47/40/187654740.db2.gz	BHOYJYIVMHROBH-DTWKUNHWSA-N	-1	0	253.273	1.973	40	0		CDABRM
CCOC(=O)C=C([O-])c1sc(SCC)nc1N	ZINC000004290467	356025989	/nfs/dbraw/zinc/02/59/89/356025989.db2.gz	UKXJSKUITVSIAG-UHFFFAOYSA-N	-1	0	274.367	1.973	40	0		CDABRM
COc1ccc(C)cc1S(=O)(=O)N(C)[C@@H](C)C(=O)[O-]	ZINC000054053638	357308807	/nfs/dbraw/zinc/30/88/07/357308807.db2.gz	PUEVWXHBUAHIMV-VIFPVBQESA-N	-1	0	287.337	1.097	40	0		CDABRM
CCc1c(C(=O)[O-])nnn1-c1cc(C)ccc1OC	ZINC000036895360	358618296	/nfs/dbraw/zinc/61/82/96/358618296.db2.gz	YDKHUDCPHNUCGE-UHFFFAOYSA-N	-1	0	261.281	1.845	40	0		CDABRM
O=C([O-])CCc1nnc2ccc(-c3ccccc3)nn21	ZINC000058021716	366457811	/nfs/dbraw/zinc/45/78/11/366457811.db2.gz	GAKQMXYFDPOTEV-UHFFFAOYSA-N	-1	0	268.276	1.809	40	0		CDABRM
CCNS(=O)(=O)c1cc(C(=O)[O-])ccc1NC(C)C	ZINC000217408395	359000564	/nfs/dbraw/zinc/00/05/64/359000564.db2.gz	HDUYOJSBADVMQT-UHFFFAOYSA-N	-1	0	286.353	1.503	40	0		CDABRM
CNc1ccc(S(=O)(=O)NC2CCCC2)cc1C(=O)[O-]	ZINC000107277495	359018447	/nfs/dbraw/zinc/01/84/47/359018447.db2.gz	NAHYFMJAYYDHMY-UHFFFAOYSA-N	-1	0	298.364	1.647	40	0		CDABRM
O=c1[n-]n(-c2ncccn2)c(=O)c(Cl)c1Cl	ZINC000026330501	359418549	/nfs/dbraw/zinc/41/85/49/359418549.db2.gz	GQPDYJVUOQLLTA-UHFFFAOYSA-N	-1	0	259.052	1.035	40	0		CDABRM
O=C([O-])CCc1cnc(Cc2cccc(F)c2)[nH]c1=O	ZINC000223446252	359426730	/nfs/dbraw/zinc/42/67/30/359426730.db2.gz	AFURDDFJJOAULF-UHFFFAOYSA-N	-1	0	276.267	1.517	40	0		CDABRM
O=C([O-])[C@H]1[C@@H](C(=O)Nc2ccccc2F)[C@H]2C=C[C@@H]1O2	ZINC000222485793	189731136	/nfs/dbraw/zinc/73/11/36/189731136.db2.gz	XOOKKNOBOAZHCF-NOOOWODRSA-N	-1	0	277.251	1.418	40	0		CDABRM
CO[C@@H](C)C[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F	ZINC000287328792	369165338	/nfs/dbraw/zinc/16/53/38/369165338.db2.gz	KSUNZWLAWASIKI-LURJTMIESA-N	-1	0	299.726	1.931	40	0		CDABRM
C[C@H](O)CCC/C=C/[C@@H]1C[C@H](O)C[C@@H]1[C@@H](O)/C=C/C(=O)[O-]	ZINC000252679193	372266911	/nfs/dbraw/zinc/26/69/11/372266911.db2.gz	JFMRAARESGPLQF-VEKFUKMBSA-N	-1	0	298.379	1.483	40	0	biogenic,in-vitro	CDABRM
O=C([O-])[C@H](NC(=O)Cc1ccccc1)[C@H](O)c1ccccc1	ZINC000003040451	375518133	/nfs/dbraw/zinc/51/81/33/375518133.db2.gz	QJJZGNCENCTDFJ-HZPDHXFCSA-N	-1	0	299.326	1.532	40	0		CDABRM
O=C([O-])[C@H]1CCN(C(=O)Cc2ccc3c(c2)CCCO3)C1	ZINC000257219391	190013837	/nfs/dbraw/zinc/01/38/37/190013837.db2.gz	DGPVAZITUPQRMU-ZDUSSCGKSA-N	-1	0	289.331	1.487	40	0		CDABRM
CCCCc1ccc(N2C(=O)N[C@@H](CC(=O)[O-])C2=O)cc1	ZINC000218711288	375726222	/nfs/dbraw/zinc/72/62/22/375726222.db2.gz	BSIBSSDZNYSWRV-LBPRGKRZSA-N	-1	0	290.319	1.929	40	0		CDABRM
O=C([O-])c1cccn([C@@H](CO)Cc2ccccc2)c1=O	ZINC000257266490	190022932	/nfs/dbraw/zinc/02/29/32/190022932.db2.gz	MDFRARCXPDTJEC-GFCCVEGCSA-N	-1	0	273.288	1.323	40	0		CDABRM
Cc1nc2cc(C(=O)N3CC[C@H](C(=O)[O-])C3)ccc2[nH]1	ZINC000257342214	190036740	/nfs/dbraw/zinc/03/67/40/190036740.db2.gz	ZNOPTVXRGPRRQO-JTQLQIEISA-N	-1	0	273.292	1.418	40	0		CDABRM
CC(C)(C)OC(=O)N1CCCC[C@@H]1COCC(=O)[O-]	ZINC000034488082	376390884	/nfs/dbraw/zinc/39/08/84/376390884.db2.gz	HBBHDRYEUJYZHM-SNVBAGLBSA-N	-1	0	273.329	1.877	40	0		CDABRM
O=C([O-])[C@H]1C[C@@H]2c3ccccc3N[C@H]2[C@H]2CCC(=O)N21	ZINC000003847259	304203840	/nfs/dbraw/zinc/20/38/40/304203840.db2.gz	ZOJBHIDKMQCKNB-XIDUGBJDSA-N	-1	0	272.304	1.412	40	0		CDABRM
O=C([O-])[C@H]1[C@@H]2C=C[C@@H](O2)[C@H]1C(=O)NC1CCCCC1	ZINC000006361370	304210030	/nfs/dbraw/zinc/21/00/30/304210030.db2.gz	GZKYSVJIFDTBCI-KXNHARMFSA-N	-1	0	265.309	1.090	40	0		CDABRM
O=C([O-])[C@]1(C(F)(F)F)CCN(C(=O)[C@H]2CCCCO2)C1	ZINC000111239983	304213029	/nfs/dbraw/zinc/21/30/29/304213029.db2.gz	YWZBHRDLESGXKA-KCJUWKMLSA-N	-1	0	295.257	1.421	40	0		CDABRM
O=Cc1c(SCC(=O)[O-])ncn1-c1ccccc1	ZINC000069949543	379315468	/nfs/dbraw/zinc/31/54/68/379315468.db2.gz	BXMIKLYVNRUQNY-UHFFFAOYSA-N	-1	0	262.290	1.862	40	0		CDABRM
O=C([O-])c1ccc2c(c1)[nH]c(=O)n(C1CCCCC1)c2=O	ZINC000015416319	304253470	/nfs/dbraw/zinc/25/34/70/304253470.db2.gz	JFEQMLQRFZLPLY-UHFFFAOYSA-N	-1	0	288.303	1.893	40	0		CDABRM
Cc1ccc2cc3c(nc2c1)N(NC(=O)CCC(=O)[O-])CC3	ZINC000016778467	390220758	/nfs/dbraw/zinc/22/07/58/390220758.db2.gz	RQCLOOWQOGOQJH-UHFFFAOYSA-N	-1	0	299.330	1.802	40	0		CDABRM
C[C@@H](Oc1cccc(CS(C)(=O)=O)c1)C(=O)[O-]	ZINC000096509674	390530486	/nfs/dbraw/zinc/53/04/86/390530486.db2.gz	POUADWQGXOIYOS-MRVPVSSYSA-N	-1	0	258.295	1.083	40	0		CDABRM
O=C([O-])[C@@H]1CCN(c2cc(C(F)(F)F)ncn2)C1	ZINC000096516857	390531969	/nfs/dbraw/zinc/53/19/69/390531969.db2.gz	NADDQDSAZNKBAR-ZCFIWIBFSA-N	-1	0	261.203	1.406	40	0		CDABRM
O=C([O-])c1cn(-c2cc(C(F)(F)F)ncn2)cn1	ZINC000096517353	390532969	/nfs/dbraw/zinc/53/29/69/390532969.db2.gz	MCMDLYVONVAXEG-UHFFFAOYSA-N	-1	0	258.159	1.379	40	0		CDABRM
Cc1cccc(-n2nc(C(=O)[O-])c(C(F)(F)F)n2)n1	ZINC000089261909	390875330	/nfs/dbraw/zinc/87/53/30/390875330.db2.gz	ZSQOYERQDYIIAR-UHFFFAOYSA-N	-1	0	272.186	1.688	40	0		CDABRM
COCc1c(C(=O)[O-])nnn1Cc1cccc(F)c1	ZINC000062317375	390940702	/nfs/dbraw/zinc/94/07/02/390940702.db2.gz	JCBMXFVXRQIQQZ-UHFFFAOYSA-N	-1	0	265.244	1.310	40	0		CDABRM
Cc1nn(C)cc1[C@H](C)NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-]	ZINC000239297056	391913933	/nfs/dbraw/zinc/91/39/33/391913933.db2.gz	DQTGBGFJIIYTMY-ZMLRMANQSA-N	-1	0	293.367	1.797	40	0		CDABRM
CCOC(=O)c1nnc2[n-]n(-c3ccccc3)c(=O)c2c1C	ZINC000010325837	285978655	/nfs/dbraw/zinc/97/86/55/285978655.db2.gz	ZPPWKECPGCGWLC-UHFFFAOYSA-N	-1	0	298.302	1.594	40	0		CDABRM
COc1cc(OC)cc(-c2ncc(C(=O)[O-])cn2)c1	ZINC000008731007	170351339	/nfs/dbraw/zinc/35/13/39/170351339.db2.gz	CNQOGVLPFWSFQL-UHFFFAOYSA-N	-1	0	260.249	1.859	40	0		CDABRM
O=C1[N-]C(=O)[C@@H](Cc2nnc(-c3ccccc3)o2)S1	ZINC000009914822	170390658	/nfs/dbraw/zinc/39/06/58/170390658.db2.gz	BJQDXFAQGODLSI-MRVPVSSYSA-N	-1	0	275.289	1.631	40	0		CDABRM
Cc1ccc(-c2noc(CCCC(=O)[O-])n2)c(=O)n1C	ZINC000022121593	171353921	/nfs/dbraw/zinc/35/39/21/171353921.db2.gz	RTRAJWJUJMAVLL-UHFFFAOYSA-N	-1	0	277.280	1.151	40	0		CDABRM
COc1ccc2oc(N[C@@H]3C[C@@H](C(=O)[O-])C[C@@H]3O)nc2c1	ZINC000662899080	413680665	/nfs/dbraw/zinc/68/06/65/413680665.db2.gz	XEKTYDDVGMPUIR-ZOFUNIGCSA-N	-1	0	292.291	1.472	40	0		CDABRM
CCCC(=O)Nc1cccc(N2C[C@H](C(=O)[O-])CC2=O)c1	ZINC000045953951	175389046	/nfs/dbraw/zinc/38/90/46/175389046.db2.gz	LELSGEKONQUQRR-SNVBAGLBSA-N	-1	0	290.319	1.863	40	0		CDABRM
CCOC(=O)C1=NN(c2ccccc2F)[C@H](C(=O)[O-])C1	ZINC000071979291	176307819	/nfs/dbraw/zinc/30/78/19/176307819.db2.gz	ZKBHVAMYLWJRHT-NSHDSACASA-N	-1	0	280.255	1.408	40	0		CDABRM
COCc1cccc(S(=O)(=O)[N-]c2ccc(C)cn2)c1	ZINC000072240299	176347911	/nfs/dbraw/zinc/34/79/11/176347911.db2.gz	MWUARWSQQKJRFT-UHFFFAOYSA-N	-1	0	292.360	1.759	40	0		CDABRM
COC(=O)[C@@]1(C(=O)[O-])C[C@H]1c1ccccc1OC	ZINC000072406697	176398026	/nfs/dbraw/zinc/39/80/26/176398026.db2.gz	BOAVDWYZKSYJAB-ZANVPECISA-N	-1	0	250.250	1.427	40	0		CDABRM
CC(C)(C)OC(=O)N1CC[C@@H](SCC(=O)[O-])C1	ZINC000079392076	177475427	/nfs/dbraw/zinc/47/54/27/177475427.db2.gz	UCLGMVQUPDUFBZ-MRVPVSSYSA-N	-1	0	261.343	1.814	40	0		CDABRM
C[C@H]1[C@H](CC(=O)[O-])COCCN1C(=O)OC(C)(C)C	ZINC000309901855	260198158	/nfs/dbraw/zinc/19/81/58/260198158.db2.gz	IOYCMSYVFHGMND-VHSXEESVSA-N	-1	0	273.329	1.733	40	0		CDABRM
CCc1nnc(SCc2ccc(C(=O)[O-])cc2)n1N	ZINC000008089317	261387533	/nfs/dbraw/zinc/38/75/33/261387533.db2.gz	ZLYFKCHOBPXWAL-UHFFFAOYSA-N	-1	0	278.337	1.545	40	0		CDABRM
O=S1(=O)C=C([O-])c2sccc2N1CC1CC1	ZINC000096517041	264801329	/nfs/dbraw/zinc/80/13/29/264801329.db2.gz	GAAJLAMFVVGCKO-UHFFFAOYSA-N	-1	0	257.336	1.491	40	0		CDABRM
CC(C)(C)OC(=O)NC1CN([C@H](C(=O)[O-])c2ccco2)C1	ZINC000002527357	278425668	/nfs/dbraw/zinc/42/56/68/278425668.db2.gz	IMJUGIRZIXFUMH-NSHDSACASA-N	-1	0	296.323	1.614	40	0		CDABRM
CC(C)[C@H](C(=O)[O-])n1ccc2c(cnc3ccnn32)c1=O	ZINC000040387578	280189897	/nfs/dbraw/zinc/18/98/97/280189897.db2.gz	LREZQGLYSPHFKY-GFCCVEGCSA-N	-1	0	286.291	1.326	40	0		CDABRM
COCc1c(C(=O)[O-])cnc2nc3ccccc3n21	ZINC000020227815	293297120	/nfs/dbraw/zinc/29/71/20/293297120.db2.gz	RFGBPCHIGCMRJL-UHFFFAOYSA-N	-1	0	257.249	1.727	40	0		CDABRM
CC(C)S(=O)(=O)c1ccc(OCC(=O)[O-])cc1	ZINC000083253334	178369956	/nfs/dbraw/zinc/36/99/56/178369956.db2.gz	XRXLYFNNACGRSF-UHFFFAOYSA-N	-1	0	258.295	1.332	40	0		CDABRM
CC(C)(C)[C@@H](CC(=O)[O-])NS(=O)(=O)c1ccccc1	ZINC000136733962	361859655	/nfs/dbraw/zinc/85/96/55/361859655.db2.gz	DUENERYLQUCPBS-LLVKDONJSA-N	-1	0	285.365	1.854	40	0		CDABRM
CCN(C[C@@H]1CCCO1)C(=O)N=c1ncn(C(C)(C)C)[n-]1	ZINC000329762169	362045985	/nfs/dbraw/zinc/04/59/85/362045985.db2.gz	SGYLZVRUWJRDAG-NSHDSACASA-N	-1	0	295.387	1.488	40	0		CDABRM
O=C([O-])c1cnc(NCCc2ccccc2)[nH]c1=O	ZINC000149041809	362604940	/nfs/dbraw/zinc/60/49/40/362604940.db2.gz	ZLSWFGNGOHGXTP-UHFFFAOYSA-N	-1	0	259.265	1.123	40	0		CDABRM
CC(C)(C)OC(=O)[C@H](N)c1ccc(C(=O)[O-])cc1	ZINC000085479283	179080529	/nfs/dbraw/zinc/08/05/29/179080529.db2.gz	WWZIGCMXAROJHA-SNVBAGLBSA-N	-1	0	251.282	1.726	40	0		CDABRM
O=C([O-])C1(NS(=O)(=O)c2ccccc2)CCCC1	ZINC000001848203	304034328	/nfs/dbraw/zinc/03/43/28/304034328.db2.gz	DMFCMDXNOIVPQM-UHFFFAOYSA-N	-1	0	269.322	1.362	40	0		CDABRM
Cc1nnc([C@H]2CCN(C(=O)c3ccc(F)cc3[O-])C2)[nH]1	ZINC000334014194	363355463	/nfs/dbraw/zinc/35/54/63/363355463.db2.gz	XSXFLJDMUJHZEC-VIFPVBQESA-N	-1	0	290.298	1.588	40	0		CDABRM
CCOC(=O)C(=O)N(CCC(=O)[O-])c1ccccc1	ZINC000001555434	355938855	/nfs/dbraw/zinc/93/88/55/355938855.db2.gz	KTXRBUULPNFHNV-UHFFFAOYSA-N	-1	0	265.265	1.057	40	0		CDABRM
COC(=O)[C@@]1(C)C[C@H](C(=O)[O-])[C@H](c2ccccc2F)N1C	ZINC000012856858	356327244	/nfs/dbraw/zinc/32/72/44/356327244.db2.gz	CYFCBHQFWFNNCD-ITDIGPHOSA-N	-1	0	295.310	1.835	40	0		CDABRM
COc1ccc(C[C@H](C(=O)[O-])N2CCOCC2)cc1	ZINC000041380482	357033692	/nfs/dbraw/zinc/03/36/92/357033692.db2.gz	IIVRZJHDCOWUBR-CYBMUJFWSA-N	-1	0	265.309	1.023	40	0		CDABRM
Nc1cc(SCC(=O)[O-])nc(COc2ccccc2)n1	ZINC000049470111	357216850	/nfs/dbraw/zinc/21/68/50/357216850.db2.gz	ZRWKZZGGJAEVAP-UHFFFAOYSA-N	-1	0	291.332	1.815	40	0		CDABRM
COc1cccc(OCc2ncc(C(=O)[O-])cn2)c1	ZINC000058042456	357375626	/nfs/dbraw/zinc/37/56/26/357375626.db2.gz	DSNJSLDYSPDUAY-UHFFFAOYSA-N	-1	0	260.249	1.762	40	0		CDABRM
CCCCNS(=O)(=O)c1ccsc1C(=O)[O-]	ZINC000015424093	357452153	/nfs/dbraw/zinc/45/21/53/357452153.db2.gz	OHYUIKYHLCERFY-UHFFFAOYSA-N	-1	0	263.340	1.525	40	0		CDABRM
COCc1cc(N2CCC[C@@H](C(=O)[O-])C2)nc(C2CC2)n1	ZINC000096516942	357522227	/nfs/dbraw/zinc/52/22/27/357522227.db2.gz	BTMSXQRRNBSOPZ-LLVKDONJSA-N	-1	0	291.351	1.801	40	0		CDABRM
O=C([O-])C1CCN(c2nc3ccccc3[nH]c2=O)CC1	ZINC000096516226	357522301	/nfs/dbraw/zinc/52/23/01/357522301.db2.gz	AXFAIXNNRGAVSP-UHFFFAOYSA-N	-1	0	273.292	1.224	40	0		CDABRM
O=C([O-])[C@H]1[C@@H](C(=O)Nc2ccc(F)cc2F)[C@H]2CC[C@@H]1O2	ZINC000016551415	357524678	/nfs/dbraw/zinc/52/46/78/357524678.db2.gz	ZMOCZOVQVFHKJC-NOOOWODRSA-N	-1	0	297.257	1.782	40	0		CDABRM
Cc1ccc(NC(=O)[C@H]2[C@@H](C(=O)[O-])[C@H]3CC[C@@H]2O3)cc1F	ZINC000016551551	357524926	/nfs/dbraw/zinc/52/49/26/357524926.db2.gz	TZFORGPZIAVOKJ-LOWDOPEQSA-N	-1	0	293.294	1.951	40	0		CDABRM
Cc1ccc(NC(=O)Cc2ncc(C(=O)[O-])c(C)n2)cc1	ZINC000217354473	358995373	/nfs/dbraw/zinc/99/53/73/358995373.db2.gz	JUKURVYUXLIAPX-UHFFFAOYSA-N	-1	0	285.303	1.973	40	0		CDABRM
Cc1ccc(C)c(OCc2ncc(CC(=O)[O-])c(=O)[nH]2)c1	ZINC000217386237	358998147	/nfs/dbraw/zinc/99/81/47/358998147.db2.gz	BNOARQHNBLONBS-UHFFFAOYSA-N	-1	0	288.303	1.593	40	0		CDABRM
Cc1cc(N[C@@H](Cc2ccccc2)C(=O)[O-])n2ncnc2n1	ZINC000347232083	359213009	/nfs/dbraw/zinc/21/30/09/359213009.db2.gz	LEOBXXDRKNDNEX-LBPRGKRZSA-N	-1	0	297.318	1.541	40	0		CDABRM
O=C([O-])CCc1cnc(-c2ccc(F)c(F)c2)[nH]c1=O	ZINC000223447590	359426487	/nfs/dbraw/zinc/42/64/87/359426487.db2.gz	KZJFMYOYJXHRGB-UHFFFAOYSA-N	-1	0	280.230	1.732	40	0		CDABRM
CC(=O)c1cc(C(=O)[O-])c(=O)n(-c2ccc(F)cc2)n1	ZINC000225966075	359636399	/nfs/dbraw/zinc/63/63/99/359636399.db2.gz	APMMJCSHGJUBOF-UHFFFAOYSA-N	-1	0	276.223	1.272	40	0		CDABRM
O=CNc1ccc(S(=O)(=O)[O-])c2ccccc12	ZINC000002510922	367134642	/nfs/dbraw/zinc/13/46/42/367134642.db2.gz	XGNQXSMNYMWVPH-UHFFFAOYSA-N	-1	0	251.263	1.655	40	0		CDABRM
COc1cc(C([O-])=CC(C)=O)cc(OC)c1OC	ZINC000026897355	367749438	/nfs/dbraw/zinc/74/94/38/367749438.db2.gz	RLECIGKIHMADPU-UHFFFAOYSA-N	-1	0	252.266	1.874	40	0		CDABRM
O=C(Cc1ccc2c(c1)CCCC2)NCc1n[nH]c(=O)[n-]1	ZINC000331679056	204068683	/nfs/dbraw/zinc/06/86/83/204068683.db2.gz	QLMAADUKJUZCTK-UHFFFAOYSA-N	-1	0	286.335	1.248	40	0		CDABRM
Nc1ccc(C(=O)c2ccccc2)cc1S(=O)(=O)[O-]	ZINC000255190717	374266378	/nfs/dbraw/zinc/26/63/78/374266378.db2.gz	YYXQDQHKSJJYAK-UHFFFAOYSA-N	-1	0	277.301	1.747	40	0		CDABRM
CCS(=O)(=O)[C@H]1[C@@H](c2ccc3c(c2)OCO3)[C@H]1C(=O)[O-]	ZINC000218148824	375796663	/nfs/dbraw/zinc/79/66/63/375796663.db2.gz	BWAUREVUHNCFCV-TUAOUCFPSA-N	-1	0	298.316	1.017	40	0		CDABRM
Nc1cc(C(=O)[O-])cc(Cl)c1Sc1nncn1N	ZINC000070462526	377034787	/nfs/dbraw/zinc/03/47/87/377034787.db2.gz	DJCXADLOQIHZNX-UHFFFAOYSA-N	-1	0	285.716	1.077	40	0		CDABRM
O=C([O-])c1ccc(N2C(=O)[C@H]3[C@H]4CC[C@H](O4)[C@@H]3C2=O)cc1	ZINC000004722998	304246348	/nfs/dbraw/zinc/24/63/48/304246348.db2.gz	MRGAEXCMDNFHJM-USZNOCQGSA-N	-1	0	287.271	1.052	40	0		CDABRM
COc1cccc(-n2c(=O)c(CC(=O)[O-])c[nH]c2=S)c1	ZINC000020156345	256783963	/nfs/dbraw/zinc/78/39/63/256783963.db2.gz	GZRZGTDCDCJTSK-UHFFFAOYSA-N	-1	0	292.316	1.531	40	0		CDABRM
O=C([O-])c1cnc2cc(Br)cnc2c1O	ZINC000082318056	304279277	/nfs/dbraw/zinc/27/92/77/304279277.db2.gz	JWXCKOHIAIUISI-UHFFFAOYSA-N	-1	0	269.054	1.796	40	0		CDABRM
C[C@@H]1CCc2nn3ccn(CCC(=O)[O-])c(=O)c3c2C1	ZINC000096516335	390534647	/nfs/dbraw/zinc/53/46/47/390534647.db2.gz	IKHBIVZUHNNPBZ-SECBINFHSA-N	-1	0	275.308	1.096	40	0		CDABRM
CC1=NN(c2ccc(C(=O)NCC(=O)[O-])cc2)CC1	ZINC000236654153	390968384	/nfs/dbraw/zinc/96/83/84/390968384.db2.gz	WZTPJULYABQVMC-UHFFFAOYSA-N	-1	0	261.281	1.087	40	0		CDABRM
O=C([O-])[C@H]1CC12CCN(C(=O)CC[C@H]1CCCO1)CC2	ZINC000262477695	149068483	/nfs/dbraw/zinc/06/84/83/149068483.db2.gz	TXXYLOMHCHZXPU-VXGBXAGGSA-N	-1	0	281.352	1.659	40	0		CDABRM
CC[C@@H](C)N(CC(=O)[O-])S(=O)(=O)c1cnc(C)s1	ZINC000218180516	286773364	/nfs/dbraw/zinc/77/33/64/286773364.db2.gz	GWXRJODGQSTJNZ-SSDOTTSWSA-N	-1	0	292.382	1.325	40	0		CDABRM
O=C([O-])[C@@H]1CCC(=O)N1Cc1c[nH]c2ccccc12	ZINC000005759919	170137818	/nfs/dbraw/zinc/13/78/18/170137818.db2.gz	POFGGCBPVCNVHO-LBPRGKRZSA-N	-1	0	258.277	1.744	40	0		CDABRM
O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)NCc1ccc(F)cc1	ZINC000006332610	170192670	/nfs/dbraw/zinc/19/26/70/170192670.db2.gz	FZOLVYIGAPVLEQ-WVWOOGAGSA-N	-1	0	289.306	1.965	40	0		CDABRM
CCCC[C@@H](CC)CC1C(=O)NC(=S)N=C1[O-]	ZINC000006592738	170217358	/nfs/dbraw/zinc/21/73/58/170217358.db2.gz	ZFHYAZMMRMPCGH-MRVPVSSYSA-N	-1	0	256.371	1.740	40	0		CDABRM
CCC(=O)NC(=S)Nc1ccc(O)c(C(=O)[O-])c1	ZINC000020151252	171037577	/nfs/dbraw/zinc/03/75/77/171037577.db2.gz	LCNABEPEUIUNOP-UHFFFAOYSA-N	-1	0	268.294	1.313	40	0		CDABRM
O=C([O-])C1CN(c2cccc(Br)n2)C1	ZINC000072203830	176341965	/nfs/dbraw/zinc/34/19/65/176341965.db2.gz	ZPLNUHDGBKVSEH-UHFFFAOYSA-N	-1	0	257.087	1.365	40	0		CDABRM
O=C([O-])CCc1cccc([C@H]2CCC[N@H+](CC(=O)[O-])C2)n1	ZINC000072366990	176381845	/nfs/dbraw/zinc/38/18/45/176381845.db2.gz	PQUNFVQMRKUJFH-NSHDSACASA-N	-1	0	292.335	1.363	40	0		CDABRM
CCOc1ccc(N2CCN(CC(=O)[O-])C2=O)cc1	ZINC000076365661	177004362	/nfs/dbraw/zinc/00/43/62/177004362.db2.gz	IWFNQGMFGUCOQB-UHFFFAOYSA-N	-1	0	264.281	1.412	40	0		CDABRM
C[C@@H](C[C@H]1NCc2ccccc2N1)n1[n-]c(=O)ccc1=O	ZINC000409202480	261148406	/nfs/dbraw/zinc/14/84/06/261148406.db2.gz	SUEAHWBBGNSXPD-GWCFXTLKSA-N	-1	0	286.335	1.441	40	0		CDABRM
CCC1C(=O)N=C(SCC(=O)NC(C)(C)C)N=C1[O-]	ZINC000013453621	288515063	/nfs/dbraw/zinc/51/50/63/288515063.db2.gz	MMKYVWRXZOZMCY-UHFFFAOYSA-N	-1	0	285.369	1.045	40	0		CDABRM
CCn1nc(C(F)(F)F)cc1-c1n[n-]c(=N)s1	ZINC000408717552	288752850	/nfs/dbraw/zinc/75/28/50/288752850.db2.gz	HMULSFPLURHUCR-UHFFFAOYSA-N	-1	0	263.248	1.853	40	0		CDABRM
Cc1cc2c(N3CCC[C@@H](C(=O)[O-])C3)nccn2n1	ZINC000096516375	301435114	/nfs/dbraw/zinc/43/51/14/301435114.db2.gz	PQVIZGFPKDZRJN-SNVBAGLBSA-N	-1	0	260.297	1.339	40	0		CDABRM
O=C([O-])c1ccnn(-c2ccc(Cl)cc2)c1=O	ZINC000225790810	333182371	/nfs/dbraw/zinc/18/23/71/333182371.db2.gz	AAOHPBLDMKWOOA-UHFFFAOYSA-N	-1	0	250.641	1.584	40	0		CDABRM
CCc1ccc(N2C(=O)N[C@@H](CCC(=O)[O-])C2=O)cc1	ZINC000218712803	536184077	/nfs/dbraw/zinc/18/40/77/536184077.db2.gz	NZJSPKARFFXUHG-NSHDSACASA-N	-1	0	276.292	1.539	40	0		CDABRM
CC(C)(C)OC(=O)N1C[C@H]2CCCO[C@H]2[C@@H](C(=O)[O-])C1	ZINC000110915652	342451654	/nfs/dbraw/zinc/45/16/54/342451654.db2.gz	XVYGRSFUCGOEMZ-OUAUKWLOSA-N	-1	0	285.340	1.733	40	0		CDABRM
COc1ccccc1OCC1(C(=O)[O-])CCOCC1	ZINC000085390575	179047859	/nfs/dbraw/zinc/04/78/59/179047859.db2.gz	ZLOQMFRLXGHFSY-UHFFFAOYSA-N	-1	0	266.293	1.955	40	0		CDABRM
COc1ccc(OC)c([C@H]2OC(=O)C[C@H]2C(=O)[O-])c1	ZINC000085394106	179048765	/nfs/dbraw/zinc/04/87/65/179048765.db2.gz	GWESMYFANLOKEZ-BXKDBHETSA-N	-1	0	266.249	1.393	40	0		CDABRM
Cc1ccc(-n2nc(C(=O)[O-])c(N3CCCC3)n2)cc1	ZINC000256045957	350908111	/nfs/dbraw/zinc/90/81/11/350908111.db2.gz	BWMXZZOLIMYBQT-UHFFFAOYSA-N	-1	0	272.308	1.874	40	0		CDABRM
CCn1ccc([N-]S(=O)(=O)c2cccs2)n1	ZINC000014248941	366141015	/nfs/dbraw/zinc/14/10/15/366141015.db2.gz	GFSSLCOZEKROLA-UHFFFAOYSA-N	-1	0	257.340	1.765	40	0		CDABRM
O=C1c2cccc3cccc(c23)[C@@]1(O)S(=O)(=O)[O-]	ZINC000001663935	355944884	/nfs/dbraw/zinc/94/48/84/355944884.db2.gz	XTXICASOHNRPJO-GFCCVEGCSA-N	-1	0	264.258	1.069	40	0		CDABRM
CCC[C@](C)(NS(=O)(=O)c1ccccc1)C(=O)[O-]	ZINC000001665199	355944967	/nfs/dbraw/zinc/94/49/67/355944967.db2.gz	LGFHTCKAFBNCNV-LBPRGKRZSA-N	-1	0	271.338	1.608	40	0		CDABRM
CCN1C[C@@H](C(=O)N[C@@H](C)C(=O)[O-])Cc2ccccc21	ZINC000004522517	356034565	/nfs/dbraw/zinc/03/45/65/356034565.db2.gz	FIFHGAVLXBBHKC-JQWIXIFHSA-N	-1	0	276.336	1.275	40	0		CDABRM
COC(=O)C1=C([O-])c2ccccc2C[C@H]1C(=O)OC	ZINC000003847795	356010575	/nfs/dbraw/zinc/01/05/75/356010575.db2.gz	AOITZMIHIOPQMD-MNOVXSKESA-N	-1	0	262.261	1.004	40	0		CDABRM
COC(=O)CCc1c(C)nc2n[n-]c(=S)n2c1C	ZINC000016740571	356446252	/nfs/dbraw/zinc/44/62/52/356446252.db2.gz	OXECHERMXKHOAL-UHFFFAOYSA-N	-1	0	266.326	1.135	40	0		CDABRM
CC[C@@]12C[C@@H](c3ccccc3O1)[C@@H](C(=O)[O-])C(=O)N2C	ZINC000016611486	357530901	/nfs/dbraw/zinc/53/09/01/357530901.db2.gz	YZUUVEQUJWFXQO-NVBFEUDRSA-N	-1	0	275.304	1.832	40	0		CDABRM
O=C([O-])CN1c2ccccc2Oc2ncccc2C1=O	ZINC000006751305	304067909	/nfs/dbraw/zinc/06/79/09/304067909.db2.gz	FBJPHOMQNFFTSD-UHFFFAOYSA-N	-1	0	270.244	1.919	40	0		CDABRM
CO[C@@H]1CC[C@](NC(=O)OC(C)(C)C)(C(=O)[O-])C1	ZINC000199551204	358082433	/nfs/dbraw/zinc/08/24/33/358082433.db2.gz	QTVILWKSHUHYPB-PRHODGIISA-N	-1	0	259.302	1.533	40	0		CDABRM
O=C([O-])[C@H]1CC(=O)O[C@@H]1c1ccc2c(c1)OCO2	ZINC000039348935	358776041	/nfs/dbraw/zinc/77/60/41/358776041.db2.gz	IHGHHHLDVPOAER-WRWORJQWSA-N	-1	0	250.206	1.104	40	0		CDABRM
CCNc1ccc(C(=O)[O-])cc1S(=O)(=O)NC1CC1	ZINC000217711844	359022600	/nfs/dbraw/zinc/02/26/00/359022600.db2.gz	JBVVICUVFWGHJA-UHFFFAOYSA-N	-1	0	284.337	1.257	40	0		CDABRM
CC(=O)c1cccc(OCc2ncc(C(=O)[O-])c(=O)[nH]2)c1	ZINC000217382517	358997100	/nfs/dbraw/zinc/99/71/00/358997100.db2.gz	MBMAKPCYHJCFJM-UHFFFAOYSA-N	-1	0	288.259	1.250	40	0		CDABRM
CCOc1cc([C@@H]2OC(=O)C[C@@H]2C(=O)[O-])ccc1O	ZINC000085394159	359069413	/nfs/dbraw/zinc/06/94/13/359069413.db2.gz	IKDFVECMMFRLKW-UFBFGSQYSA-N	-1	0	266.249	1.480	40	0		CDABRM
CCO[C@H]1COCC[C@@H]1Nc1cccc(C(=O)[O-])n1	ZINC000263387190	359269852	/nfs/dbraw/zinc/26/98/52/359269852.db2.gz	FEVRITMPTSCOHW-ONGXEEELSA-N	-1	0	266.297	1.386	40	0		CDABRM
O=C([O-])[C@H]1[C@@H](C(=O)NC2CCCCCCC2)[C@H]2C=C[C@@H]1O2	ZINC000225644227	359606025	/nfs/dbraw/zinc/60/60/25/359606025.db2.gz	OSULCULODZEJKV-ZOBORPQBSA-N	-1	0	293.363	1.870	40	0		CDABRM
CCCN(c1ccccc1C(=O)[O-])S(=O)(=O)N(C)C	ZINC000011804560	360322259	/nfs/dbraw/zinc/32/22/59/360322259.db2.gz	OEOQWCJKBPCHOG-UHFFFAOYSA-N	-1	0	286.353	1.408	40	0		CDABRM
CC(C)[C@H]([NH2+]Cc1ccccc1C(=O)[O-])C(=O)[O-]	ZINC000062718087	364834971	/nfs/dbraw/zinc/83/49/71/364834971.db2.gz	WKSJIJLUNGEKBB-NSHDSACASA-N	-1	0	251.282	1.584	40	0		CDABRM
COc1ccc(CCC(=O)[O-])cc1S(C)(=O)=O	ZINC000218301470	365379121	/nfs/dbraw/zinc/37/91/21/365379121.db2.gz	RYXVSVRCUVPZIC-UHFFFAOYSA-N	-1	0	258.295	1.116	40	0		CDABRM
O=C([O-])CO[C@H]1CCCN(C(=O)OCc2ccccc2)C1	ZINC000002577431	367127871	/nfs/dbraw/zinc/12/78/71/367127871.db2.gz	OWOUQNFQFVZFEP-ZDUSSCGKSA-N	-1	0	293.319	1.889	40	0		CDABRM
CS(=O)(=O)N(CC(=O)[O-])c1ccc2sncc2c1	ZINC000225008586	189743253	/nfs/dbraw/zinc/74/32/53/189743253.db2.gz	MRRCBCFJHQCGAO-UHFFFAOYSA-N	-1	0	286.334	1.147	40	0		CDABRM
C[C@@H](NC(=O)c1ccccc1OC(F)F)C(=O)[O-]	ZINC000000119262	296106371	/nfs/dbraw/zinc/10/63/71/296106371.db2.gz	MMSPXFKNZWHEHG-ZCFIWIBFSA-N	-1	0	259.208	1.491	40	0		CDABRM
CCS(=O)(=O)[C@H]1[C@@H](c2cccc(F)c2)[C@H]1C(=O)[O-]	ZINC000218426281	368570366	/nfs/dbraw/zinc/57/03/66/368570366.db2.gz	JPWSRQYNXQUAQT-AXFHLTTASA-N	-1	0	272.297	1.427	40	0		CDABRM
O=C([O-])CCC(=O)Nc1ccn(Cc2ccc(F)cc2)n1	ZINC000027489517	373514314	/nfs/dbraw/zinc/51/43/14/373514314.db2.gz	YAPIIQDGKGZIOW-UHFFFAOYSA-N	-1	0	291.282	1.874	40	0		CDABRM
CCOc1ccc(CN2C(=O)CC[C@@H]2C(=O)[O-])cc1	ZINC000011727232	374461819	/nfs/dbraw/zinc/46/18/19/374461819.db2.gz	URESKMFVJDSTOY-GFCCVEGCSA-N	-1	0	263.293	1.661	40	0		CDABRM
C[C@H](C(=O)[O-])n1cnc2c1cncc2Br	ZINC000225742110	375195362	/nfs/dbraw/zinc/19/53/62/375195362.db2.gz	GPIPDVUXEJYXAJ-RXMQYKEDSA-N	-1	0	270.086	1.839	40	0		CDABRM
O=C([O-])Cn1cnc2c1cncc2Br	ZINC000225742145	375196358	/nfs/dbraw/zinc/19/63/58/375196358.db2.gz	QFMKOMRCBNUFQP-UHFFFAOYSA-N	-1	0	256.059	1.278	40	0		CDABRM
CCn1ccc(CNCc2ccccc2C(=O)[O-])n1	ZINC000256052852	190004329	/nfs/dbraw/zinc/00/43/29/190004329.db2.gz	OXNXTJXDXISZRO-UHFFFAOYSA-N	-1	0	259.309	1.891	40	0		CDABRM
O=C([O-])[C@H]1[C@@H]2C=C[C@@H](O2)[C@H]1C(=O)Nc1ccc(F)cc1	ZINC000005042618	304210089	/nfs/dbraw/zinc/21/00/89/304210089.db2.gz	HFFOVZSEJHRHBK-KXNHARMFSA-N	-1	0	277.251	1.418	40	0		CDABRM
O=C([O-])c1n[nH]c2c1cccc2I	ZINC000089196131	304216103	/nfs/dbraw/zinc/21/61/03/304216103.db2.gz	QLKLFLHXDLMUKH-UHFFFAOYSA-N	-1	0	288.044	1.866	40	0		CDABRM
O=C([O-])c1cc(=O)n(-c2cccc(Br)c2)[nH]1	ZINC000100690952	304220428	/nfs/dbraw/zinc/22/04/28/304220428.db2.gz	OAAOFJCODQPNGT-UHFFFAOYSA-N	-1	0	283.081	1.626	40	0		CDABRM
COc1ccccc1NC(=O)[C@@H]1[C@H]2C=C[C@H](O2)[C@@H]1C(=O)[O-]	ZINC000000340524	169611384	/nfs/dbraw/zinc/61/13/84/169611384.db2.gz	RXUSSKXDZAVMFJ-XQHKEYJVSA-N	-1	0	289.287	1.288	40	0		CDABRM
O=C([O-])c1ccc2c(c1)[nH]c(=O)n(-c1cccnc1)c2=O	ZINC000408712842	304254015	/nfs/dbraw/zinc/25/40/15/304254015.db2.gz	WBSCPAOZJBXWMM-UHFFFAOYSA-N	-1	0	283.243	1.185	40	0		CDABRM
Cc1nnc(SCc2ccc(C(=O)[O-])cc2)n1N	ZINC000020394492	256798886	/nfs/dbraw/zinc/79/88/86/256798886.db2.gz	OOTZNRCZKRAIRG-UHFFFAOYSA-N	-1	0	264.310	1.291	40	0		CDABRM
CC(C)OC(=O)c1ccccc1NC(=O)/C=C\C(=O)[O-]	ZINC000034776399	390135828	/nfs/dbraw/zinc/13/58/28/390135828.db2.gz	JHYHDCGEKNABSJ-FPLPWBNLSA-N	-1	0	277.276	1.831	40	0		CDABRM
CC(C)=CC[C@@]1(O)C(=O)c2ccccc2[C@]1(O)C(=O)[O-]	ZINC000001871623	390141181	/nfs/dbraw/zinc/14/11/81/390141181.db2.gz	LVYYPCAHSWYNEJ-CABCVRRESA-N	-1	0	276.288	1.243	40	0		CDABRM
O=C([O-])c1nnc2c(Cl)c(Cl)ccc2c1O	ZINC000098180348	304282866	/nfs/dbraw/zinc/28/28/66/304282866.db2.gz	FTOCTSBTVLDEIV-UHFFFAOYSA-N	-1	0	259.048	1.928	40	0		CDABRM
Cc1noc(-c2cccnc2N2CC[C@H](C(=O)[O-])C2)n1	ZINC000096516545	390533876	/nfs/dbraw/zinc/53/38/76/390533876.db2.gz	PNRSCXJAHDWPMR-VIFPVBQESA-N	-1	0	274.280	1.351	40	0		CDABRM
O=C([O-])[C@@H]1COCCN1C(=O)c1cccc2ccncc21	ZINC000647733534	391009122	/nfs/dbraw/zinc/00/91/22/391009122.db2.gz	JWLOZBSKNRFOKK-ZDUSSCGKSA-N	-1	0	286.287	1.160	40	0		CDABRM
CCn1cc(C(=O)[O-])c(I)n1	ZINC000408717852	391110299	/nfs/dbraw/zinc/11/02/99/391110299.db2.gz	XVEQXKJVCYUKFY-UHFFFAOYSA-N	-1	0	266.038	1.206	40	0		CDABRM
N=c1[n-]nc(-c2nn(CC(F)F)cc2Cl)s1	ZINC000408717684	391110538	/nfs/dbraw/zinc/11/05/38/391110538.db2.gz	OATVFZGJIPGSMT-UHFFFAOYSA-N	-1	0	265.676	1.733	40	0		CDABRM
CC[C@@H]1CCCC[C@@H]1OCC(=O)[N-]S(C)(=O)=O	ZINC000184274793	391511744	/nfs/dbraw/zinc/51/17/44/391511744.db2.gz	YBEDIPXRGDPMST-ZJUUUORDSA-N	-1	0	263.359	1.048	40	0		CDABRM
CCS(=O)(=O)[C@H]1[C@@H](C(=O)[O-])[C@@H]1c1ccc2c(c1)OCO2	ZINC000218149036	130767193	/nfs/dbraw/zinc/76/71/93/130767193.db2.gz	BWAUREVUHNCFCV-SDDRHHMPSA-N	-1	0	298.316	1.017	40	0		CDABRM
CO[C@@H]1C(=O)N(c2ccc(Cl)cc2)[C@@H]1C(=O)[O-]	ZINC000218278003	130767599	/nfs/dbraw/zinc/76/75/99/130767599.db2.gz	PTXDKQFQKITKRH-IUCAKERBSA-N	-1	0	255.657	1.155	40	0		CDABRM
COc1ccc(OC)c(NC(=O)N/C=C/C(=O)[O-])c1	ZINC000222697892	130791103	/nfs/dbraw/zinc/79/11/03/130791103.db2.gz	ZESMVALUFAPXTO-AATRIKPKSA-N	-1	0	266.253	1.424	40	0		CDABRM
COCCCNC(=S)Nc1ccccc1C(=O)[O-]	ZINC000225154406	292362775	/nfs/dbraw/zinc/36/27/75/292362775.db2.gz	DXGSROGGEHEZNG-UHFFFAOYSA-N	-1	0	268.338	1.708	40	0		CDABRM
O=C([N-]S(=O)(=O)Cc1cccnc1)C1CC2(CCC2)C1	ZINC000408496093	160790858	/nfs/dbraw/zinc/79/08/58/160790858.db2.gz	GCCPOMSEMOYQOD-UHFFFAOYSA-N	-1	0	294.376	1.608	40	0		CDABRM
COCCNC(=O)[C@@H]1CC[C@@](C)(C(=O)[O-])C1(C)C	ZINC000006829022	292551643	/nfs/dbraw/zinc/55/16/43/292551643.db2.gz	LXUXXRVHGHNODS-ZANVPECISA-N	-1	0	257.330	1.276	40	0		CDABRM
COc1ccc(-c2nc(SCC(=O)[O-])n[nH]2)cc1	ZINC000005729798	170133861	/nfs/dbraw/zinc/13/38/61/170133861.db2.gz	YJRUVTDJAFBGQO-UHFFFAOYSA-N	-1	0	265.294	1.657	40	0		CDABRM
O=C([O-])[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)Nc1ccc(F)cc1F	ZINC000006699101	170228160	/nfs/dbraw/zinc/22/81/60/170228160.db2.gz	ZMOCZOVQVFHKJC-KXNHARMFSA-N	-1	0	297.257	1.782	40	0		CDABRM
O=C([O-])c1ccc(F)c(S(=O)(=O)NC2CCCC2)c1	ZINC000008029991	170315439	/nfs/dbraw/zinc/31/54/39/170315439.db2.gz	BMJVQYHTHIXBKH-UHFFFAOYSA-N	-1	0	287.312	1.745	40	0		CDABRM
CN(c1ccccc1)[C@H](C(=O)[O-])C(=O)OC(C)(C)C	ZINC000032911600	171760915	/nfs/dbraw/zinc/76/09/15/171760915.db2.gz	XTEYHCPAZPQWJC-LLVKDONJSA-N	-1	0	265.309	1.918	40	0		CDABRM
O=C([O-])c1ccccc1C(=O)N1CCCC[C@H]1CO	ZINC000035135632	172002783	/nfs/dbraw/zinc/00/27/83/172002783.db2.gz	YNEQKKYAFOFLJZ-JTQLQIEISA-N	-1	0	263.293	1.372	40	0		CDABRM
Cc1nnc(Sc2c(N)cc(C(=O)[O-])cc2Cl)n1N	ZINC000070462527	175943681	/nfs/dbraw/zinc/94/36/81/175943681.db2.gz	XPBLRTDQVXREMB-UHFFFAOYSA-N	-1	0	299.743	1.385	40	0		CDABRM
CCOC(=O)C1=NN(c2ccc(C)cc2)[C@@](C)(C(=O)[O-])C1	ZINC000071979445	176307688	/nfs/dbraw/zinc/30/76/88/176307688.db2.gz	JGNOKNJYYMCEKE-OAHLLOKOSA-N	-1	0	290.319	1.968	40	0		CDABRM
Cc1ccc(NC(=O)Cc2noc(CCC(=O)[O-])n2)cc1	ZINC000078400983	177337458	/nfs/dbraw/zinc/33/74/58/177337458.db2.gz	RMEDHZLIYMMTRY-UHFFFAOYSA-N	-1	0	289.291	1.576	40	0		CDABRM
CSc1ccc([N-]S(=O)(=O)c2cnn(C)c2)cn1	ZINC000078556792	177354397	/nfs/dbraw/zinc/35/43/97/177354397.db2.gz	FHYMFXKHDGOEDL-UHFFFAOYSA-N	-1	0	284.366	1.338	40	0		CDABRM
COc1ccc(OC)c([C@@H]2OC(=O)C[C@@H]2C(=O)[O-])c1	ZINC000085394120	295182111	/nfs/dbraw/zinc/18/21/11/295182111.db2.gz	GWESMYFANLOKEZ-CABZTGNLSA-N	-1	0	266.249	1.393	40	0		CDABRM
COc1cccc([C@@H]2N[C@H](C(=O)[O-])Cc3[nH]cnc32)c1	ZINC000005817954	295320630	/nfs/dbraw/zinc/32/06/30/295320630.db2.gz	DDWQMCSPJFORRV-RYUDHWBXSA-N	-1	0	273.292	1.107	40	0		CDABRM
C[C@@]12C=C[C@@H](O1)[C@@H](C(=O)[O-])[C@H]2C(=O)Nc1ccccc1	ZINC000409371592	297928360	/nfs/dbraw/zinc/92/83/60/297928360.db2.gz	XJIWILQNDOZHFN-FJJYHAOUSA-N	-1	0	273.288	1.669	40	0		CDABRM
Cc1cc(NC(=O)C(F)(F)F)cc(C(=O)[O-])c1O	ZINC000020137017	301346405	/nfs/dbraw/zinc/34/64/05/301346405.db2.gz	BSXOGEXTAFPEHZ-UHFFFAOYSA-N	-1	0	263.171	1.900	40	0		CDABRM
O=C([O-])C[C@H]1CCCCN1C(=O)c1ccnc(C2CC2)n1	ZINC000679394654	483357665	/nfs/dbraw/zinc/35/76/65/483357665.db2.gz	PYBLEKJODMBSAH-LLVKDONJSA-N	-1	0	289.335	1.823	40	0		CDABRM
Cc1ccc(C[C@H]2SC[C@H](C(=O)[O-])NC2=O)cc1Cl	ZINC000062712236	524686632	/nfs/dbraw/zinc/68/66/32/524686632.db2.gz	JJNFVSNGUSASIZ-GHMZBOCLSA-N	-1	0	299.779	1.876	40	0		CDABRM
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](CC(=O)[O-])O[C@@H]2C1	ZINC000110915687	342451595	/nfs/dbraw/zinc/45/15/95/342451595.db2.gz	SJCCDENKKVENNT-IVZWLZJFSA-N	-1	0	271.313	1.486	40	0		CDABRM
CC(C)(C)OC(=O)N1CC[C@H]2OCCC[C@@]2(C(=O)[O-])C1	ZINC000110915682	342451711	/nfs/dbraw/zinc/45/17/11/342451711.db2.gz	LVLSCXFADHFQBW-QMTHXVAHSA-N	-1	0	285.340	1.877	40	0		CDABRM
CC(C)(C)OC(=O)N1[C@H]2C[C@H]([C@@H](F)[C@@H]2F)[C@H]1C(=O)[O-]	ZINC000169805883	188665753	/nfs/dbraw/zinc/66/57/53/188665753.db2.gz	DXHWTTAMJBEMPX-WUNNTHRKSA-N	-1	0	277.267	1.755	40	0		CDABRM
O=C([O-])CCSc1nnc(-c2ccccn2)o1	ZINC000001378668	355933013	/nfs/dbraw/zinc/93/30/13/355933013.db2.gz	NZDBDLRAAXAFFX-UHFFFAOYSA-N	-1	0	251.267	1.698	40	0		CDABRM
CC(C)(C)OC(=O)N[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)[O-]	ZINC000002555435	355974277	/nfs/dbraw/zinc/97/42/77/355974277.db2.gz	ZPMJBHUNSHDFPT-JXUBOQSCSA-N	-1	0	253.298	1.786	40	0		CDABRM
CC(C)NC(=O)COc1ccc(Cl)cc1C(=O)[O-]	ZINC000013034318	356335881	/nfs/dbraw/zinc/33/58/81/356335881.db2.gz	HEEUQOYMPMLHPZ-UHFFFAOYSA-N	-1	0	271.700	1.942	40	0		CDABRM
CC(=O)Nc1nc(C(F)(F)F)c(C(=O)[O-])s1	ZINC000036258827	357820346	/nfs/dbraw/zinc/82/03/46/357820346.db2.gz	QJSPMKOSJMJMHA-UHFFFAOYSA-N	-1	0	254.189	1.819	40	0		CDABRM
CC[NH+]1CCN(CCCOc2ccc(C(=O)[O-])cc2)CC1	ZINC000019798145	358143271	/nfs/dbraw/zinc/14/32/71/358143271.db2.gz	AEXQADZOEYTYFC-UHFFFAOYSA-N	-1	0	292.379	1.791	40	0		CDABRM
O=C([O-])[C@H]1Cc2[nH]cnc2[C@@H](c2cc(F)ccc2F)N1	ZINC000096300038	358731277	/nfs/dbraw/zinc/73/12/77/358731277.db2.gz	ILPJNTPEYKASMG-GHMZBOCLSA-N	-1	0	279.246	1.376	40	0		CDABRM
CSc1nc2n(n1)[C@@H](c1ccco1)CC(C(=O)[O-])=N2	ZINC000102334285	358875108	/nfs/dbraw/zinc/87/51/08/358875108.db2.gz	PGBMKFSAQLYITK-SSDOTTSWSA-N	-1	0	278.293	1.576	40	0		CDABRM
O=C([O-])Cc1cnc(-c2ccc(F)c(F)c2)[nH]c1=O	ZINC000217166284	358983095	/nfs/dbraw/zinc/98/30/95/358983095.db2.gz	QASHCWVBBCEAHQ-UHFFFAOYSA-N	-1	0	266.203	1.342	40	0		CDABRM
C[C@H]1CCCN(Cc2cc(C(N)=O)cs2)[C@H]1C(=O)[O-]	ZINC000263044847	359217915	/nfs/dbraw/zinc/21/79/15/359217915.db2.gz	JNUXPYORQGHCAK-GZMMTYOYSA-N	-1	0	282.365	1.532	40	0		CDABRM
O=C([O-])c1ccc(NC(=O)[C@H]2CCCOC2)c(F)c1	ZINC000063009105	359635834	/nfs/dbraw/zinc/63/58/34/359635834.db2.gz	IBENVVOILFOQID-VIFPVBQESA-N	-1	0	267.256	1.889	40	0		CDABRM
O=C([O-])Cc1ccccc1NC(=O)[C@H]1CCCOC1	ZINC000054768695	304090213	/nfs/dbraw/zinc/09/02/13/304090213.db2.gz	IEAXMRPUUWCYIO-NSHDSACASA-N	-1	0	263.293	1.679	40	0		CDABRM
C[C@@]12C=C[C@@H](O1)[C@H](C(=O)[O-])[C@H]2C(=O)Nc1ccccc1	ZINC000409371594	364065754	/nfs/dbraw/zinc/06/57/54/364065754.db2.gz	XJIWILQNDOZHFN-YXMPFFBPSA-N	-1	0	273.288	1.669	40	0		CDABRM
O=C([O-])[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)NCc1ccccn1	ZINC000101252772	364321447	/nfs/dbraw/zinc/32/14/47/364321447.db2.gz	XQNAZWMFMIRORX-LFSVMHDDSA-N	-1	0	272.304	1.221	40	0		CDABRM
C[C@@H]1[C@H](C(=O)[O-])[NH2+][C@@H](c2ccc(Cl)cc2)[C@@H]1C(=O)[O-]	ZINC000006008139	364401812	/nfs/dbraw/zinc/40/18/12/364401812.db2.gz	CWSJTEZWAJPIKN-HCPDIIQCSA-N	-1	0	283.711	1.774	40	0		CDABRM
COc1cc(C[C@@H]2SC(=O)[N-]C2=O)ccc1O	ZINC000148984399	364575645	/nfs/dbraw/zinc/57/56/45/364575645.db2.gz	UYCQOLAPUYKINQ-VIFPVBQESA-N	-1	0	253.279	1.295	40	0		CDABRM
CCc1ccccc1NC(=O)[C@H]1[C@@H](C(=O)[O-])[C@H]2C=C[C@@H]1O2	ZINC000169296915	365035955	/nfs/dbraw/zinc/03/59/55/365035955.db2.gz	CGXAEUHVOGPLNT-DGAVXFQQSA-N	-1	0	287.315	1.842	40	0		CDABRM
Cc1cc(C(=O)N(CCC(=O)[O-])C2CCOCC2)no1	ZINC000578591174	372508351	/nfs/dbraw/zinc/50/83/51/372508351.db2.gz	MFGXYDRCLGVQNN-UHFFFAOYSA-N	-1	0	282.296	1.079	40	0		CDABRM
Cc1nnc(Sc2ccc(N)cc2C(=O)[O-])[nH]1	ZINC000041633009	372950283	/nfs/dbraw/zinc/95/02/83/372950283.db2.gz	BSFFQVLDIMFLEV-UHFFFAOYSA-N	-1	0	250.283	1.545	40	0		CDABRM
COC(=O)[C@H](Cc1ccc(O)cc1)[N-]C(=O)C(F)(F)F	ZINC000002516272	375183011	/nfs/dbraw/zinc/18/30/11/375183011.db2.gz	RPUGHMMKNNBUQA-VIFPVBQESA-N	-1	0	291.225	1.155	40	0		CDABRM
Cc1c[nH]nc1C[C@H]1CCCN(C(=O)CCC(=O)[O-])C1	ZINC000257233019	190017082	/nfs/dbraw/zinc/01/70/82/190017082.db2.gz	GNKHNHJWRUOCGO-LLVKDONJSA-N	-1	0	279.340	1.364	40	0		CDABRM
Cc1nn(C)cc1[C@@H](C)NC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-]	ZINC000006921534	378306428	/nfs/dbraw/zinc/30/64/28/378306428.db2.gz	DQTGBGFJIIYTMY-JLLWLGSASA-N	-1	0	293.367	1.797	40	0		CDABRM
O=C([O-])c1c(=O)oc2c(c1-c1ccccc1)C=C[C@H](O)C2	ZINC000001705113	304216775	/nfs/dbraw/zinc/21/67/75/304216775.db2.gz	SMVYPOAYYADMJM-JTQLQIEISA-N	-1	0	284.267	1.935	40	0		CDABRM
O=C([O-])c1cc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@@H]3C2=O)ccc1O	ZINC000004552593	304225799	/nfs/dbraw/zinc/22/57/99/304225799.db2.gz	ZAZMSDXLIDWFSO-XXHBBNRNSA-N	-1	0	299.282	1.402	40	0		CDABRM
CC(C)Nc1c(Cl)cncc1S(=O)(=O)[O-]	ZINC000072210805	390422996	/nfs/dbraw/zinc/42/29/96/390422996.db2.gz	NNKIILIFOBUGIJ-UHFFFAOYSA-N	-1	0	250.707	1.802	40	0		CDABRM
COCCn1nc(C(C)(C)C(=O)[O-])c2ccccc2c1=O	ZINC000072209256	390616579	/nfs/dbraw/zinc/61/65/79/390616579.db2.gz	XJPWHDRPKFSGSL-UHFFFAOYSA-N	-1	0	290.319	1.405	40	0		CDABRM
COc1ccc(C2=C(C(=O)[O-])S(=O)(=O)CCC2)cc1	ZINC000072210214	390616884	/nfs/dbraw/zinc/61/68/84/390616884.db2.gz	HPZYCFNZSPCSGZ-UHFFFAOYSA-N	-1	0	282.317	1.700	40	0		CDABRM
CO[C@H](C(=O)[O-])[C@H]1CCCCN1C(=O)OC(C)(C)C	ZINC000098181610	391248107	/nfs/dbraw/zinc/24/81/07/391248107.db2.gz	HDYQWACVXAZIHH-ZJUUUORDSA-N	-1	0	273.329	1.876	40	0		CDABRM
O=C([O-])c1ccnc(Cl)c1S(=O)(=O)C(F)(F)F	ZINC000242687446	391337424	/nfs/dbraw/zinc/33/74/24/391337424.db2.gz	UGBAILLERGOFMK-UHFFFAOYSA-N	-1	0	289.618	1.727	40	0		CDABRM
Nc1c(=O)[n-]n(-c2ccc(F)cc2)c(=O)c1Cl	ZINC000242701495	391944915	/nfs/dbraw/zinc/94/49/15/391944915.db2.gz	WFUYFUIKSTWMHP-UHFFFAOYSA-N	-1	0	255.636	1.313	40	0		CDABRM
CS(=O)(=O)[C@@H]1[C@@H](C(=O)[O-])[C@@H]1c1cccc(F)c1	ZINC000218398355	130768222	/nfs/dbraw/zinc/76/82/22/130768222.db2.gz	DVWHMBXHYSUMKD-GUBZILKMSA-N	-1	0	258.270	1.037	40	0		CDABRM
O=S1(=O)CC[C@H](OC(=S)[N-]c2ccccc2)C1	ZINC000005672648	170126645	/nfs/dbraw/zinc/12/66/45/170126645.db2.gz	OVCIYOFXTUQLKE-JTQLQIEISA-N	-1	0	271.363	1.587	40	0		CDABRM
CSc1ccc([C@H]2N[C@H](C(=O)[O-])Cc3[nH]cnc32)cc1	ZINC000005817983	170143384	/nfs/dbraw/zinc/14/33/84/170143384.db2.gz	TXRSYOLHAWNWCC-NWDGAFQWSA-N	-1	0	289.360	1.820	40	0		CDABRM
O=C([O-])[C@@H](NC(=O)c1ccccc1)ON1CCCCC1	ZINC000006514654	170208871	/nfs/dbraw/zinc/20/88/71/170208871.db2.gz	QFEDOIIQCZRAAW-ZDUSSCGKSA-N	-1	0	278.308	1.245	40	0		CDABRM
CC[C@@H](C)NS(=O)(=O)c1cc(C(=O)[O-])ccc1F	ZINC000008029979	170315366	/nfs/dbraw/zinc/31/53/66/170315366.db2.gz	IQJPFYACNKSIGH-SSDOTTSWSA-N	-1	0	275.301	1.601	40	0		CDABRM
Cn1ncc(C2CC2)c1/C=C/c1cc(C(=O)[O-])ncn1	ZINC000656613213	413497382	/nfs/dbraw/zinc/49/73/82/413497382.db2.gz	SSYXGXIIWSEIAZ-SNAWJCMRSA-N	-1	0	270.292	1.956	40	0		CDABRM
CC(C)(C)OC(=O)N1CCC[C@H]1COCC(=O)[O-]	ZINC000039172125	174164886	/nfs/dbraw/zinc/16/48/86/174164886.db2.gz	LXXMRJSJFZZOHU-VIFPVBQESA-N	-1	0	259.302	1.487	40	0		CDABRM
CCOC(=O)C1=NN(c2ccccc2F)[C@](C)(C(=O)[O-])C1	ZINC000071979544	176307908	/nfs/dbraw/zinc/30/79/08/176307908.db2.gz	LWKLMHVZZDTYHK-AWEZNQCLSA-N	-1	0	294.282	1.798	40	0		CDABRM
O=C([O-])C1=CCCN(S(=O)(=O)c2ccccc2)C1	ZINC000072226947	176343326	/nfs/dbraw/zinc/34/33/26/176343326.db2.gz	VZJXBSNLWFQPQL-UHFFFAOYSA-N	-1	0	267.306	1.092	40	0		CDABRM
OCCN1CCC[C@@H]1c1csc([N-]c2ncccn2)n1	ZINC000072384608	176388922	/nfs/dbraw/zinc/38/89/22/176388922.db2.gz	LFHHMXCPDPQVGH-LLVKDONJSA-N	-1	0	291.380	1.806	40	0		CDABRM
C[C@H]1CN(C(=O)c2n[nH]c(=O)[n-]2)CC[C@@H]1c1ccccc1	ZINC000076472114	177025749	/nfs/dbraw/zinc/02/57/49/177025749.db2.gz	RFZBITUGGHESPU-JQWIXIFHSA-N	-1	0	286.335	1.776	40	0		CDABRM
COc1cc([C@@H]2OC(=O)C[C@@H]2C(=O)[O-])cc(OC)c1OC	ZINC000085394918	295021700	/nfs/dbraw/zinc/02/17/00/295021700.db2.gz	HNYDFNDVZVSIKI-UFBFGSQYSA-N	-1	0	296.275	1.401	40	0		CDABRM
C[C@@H]1Cc2ccccc2N1C(=O)[C@H]1[C@@H](C(=O)[O-])[C@H]2C=C[C@@H]1O2	ZINC000225704440	297504909	/nfs/dbraw/zinc/50/49/09/297504909.db2.gz	RMGIGDUVERBGPU-VILKCFAHSA-N	-1	0	299.326	1.618	40	0		CDABRM
Cc1cc(NC(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C(=O)[O-])nn1C	ZINC000006787287	301361180	/nfs/dbraw/zinc/36/11/80/301361180.db2.gz	KAUMZUIINAYFKC-QCZKYFFMSA-N	-1	0	277.324	1.414	40	0		CDABRM
Cc1cnn2c1nc(-c1ccn(C)n1)cc2C(=O)[O-]	ZINC000095098669	302404441	/nfs/dbraw/zinc/40/44/41/302404441.db2.gz	KXOHRCHPWSBCLA-UHFFFAOYSA-N	-1	0	257.253	1.136	40	0		CDABRM
CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(=O)[O-])SC1	ZINC000225800195	333182561	/nfs/dbraw/zinc/18/25/61/333182561.db2.gz	IILRBGGJIHLPTL-HTQZYQBOSA-N	-1	0	261.343	1.860	40	0		CDABRM
Cn1c(SCC(=O)[O-])nnc1-c1cccc(F)c1F	ZINC000116937235	534708406	/nfs/dbraw/zinc/70/84/06/534708406.db2.gz	WBENDWRBCMKLKR-UHFFFAOYSA-N	-1	0	285.275	1.937	40	0		CDABRM
COc1ccccc1COc1cn(C)c(C(=O)[O-])cc1=O	ZINC000096299141	1174562764	/nfs/dbraw/zinc/56/27/64/1174562764.db2.gz	KDNOWHCLKJQMTH-UHFFFAOYSA-N	-1	0	289.287	1.671	40	0		CDABRM
CCn1ncc(C(=O)NCc2ccc(C(=O)[O-])cc2)c1C	ZINC000032647758	631875259	/nfs/dbraw/zinc/87/52/59/631875259.db2.gz	MBJRTPAXRDJDSV-UHFFFAOYSA-N	-1	0	287.319	1.840	40	0		CDABRM
Cn1cc([C@@H]2N[C@H](C(=O)[O-])CS2)c2ccccc21	ZINC000408819385	230409757	/nfs/dbraw/zinc/40/97/57/230409757.db2.gz	RSDXCDXUWLFAHW-CMPLNLGQSA-N	-1	0	262.334	1.967	40	0		CDABRM
C[C@H](O)C[C@H](C)CNC(=O)c1c([O-])cc(F)cc1F	ZINC000081796205	362214200	/nfs/dbraw/zinc/21/42/00/362214200.db2.gz	KPCVDNYEUPZYDM-YUMQZZPRSA-N	-1	0	273.279	1.807	40	0		CDABRM
CO[C@@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)[O-]	ZINC000034171364	344910737	/nfs/dbraw/zinc/91/07/37/344910737.db2.gz	QUMPTEMSGZOMGE-GXSJLCMTSA-N	-1	0	267.281	1.401	40	0		CDABRM
O=C([O-])c1ccc(C(=O)c2ccc3c(c2)OCO3)o1	ZINC000085393579	179048499	/nfs/dbraw/zinc/04/84/99/179048499.db2.gz	HRDSMAFMPXQOFF-UHFFFAOYSA-N	-1	0	260.201	1.938	40	0		CDABRM
O=C([O-])C1CCN(C(=O)C(F)(F)Br)CC1	ZINC000085397106	179050184	/nfs/dbraw/zinc/05/01/84/179050184.db2.gz	VOHXXFCNSLYKER-UHFFFAOYSA-N	-1	0	286.072	1.297	40	0		CDABRM
O=C([O-])c1nn(-c2ccccn2)nc1Br	ZINC000089263467	179762594	/nfs/dbraw/zinc/76/25/94/179762594.db2.gz	XFOXKSUXGLRUBO-UHFFFAOYSA-N	-1	0	269.058	1.123	40	0		CDABRM
CC(C)NC(=S)Nc1ccc(C(=O)[O-])cc1O	ZINC000408550593	355988969	/nfs/dbraw/zinc/98/89/69/355988969.db2.gz	IHIWYFAZGDMAKP-UHFFFAOYSA-N	-1	0	254.311	1.785	40	0		CDABRM
CCCn1cc(I)c(C(=O)[O-])n1	ZINC000408716315	356104863	/nfs/dbraw/zinc/10/48/63/356104863.db2.gz	LIWSWPOJJNKKPL-UHFFFAOYSA-N	-1	0	280.065	1.596	40	0		CDABRM
CCn1nc(C)cc1C(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1	ZINC000405339298	538485136	/nfs/dbraw/zinc/48/51/36/538485136.db2.gz	LXKRSHZQPJNGHF-NSHDSACASA-N	-1	0	291.351	1.538	40	0		CDABRM
CC(C)Sc1ncc(C(=O)[O-])c(N2CCOCC2)n1	ZINC000049469351	357217166	/nfs/dbraw/zinc/21/71/66/357217166.db2.gz	WTWWWTDYKCQGEZ-UHFFFAOYSA-N	-1	0	283.353	1.512	40	0		CDABRM
Cc1ccccc1OCc1ncc(CC(=O)[O-])c(=O)[nH]1	ZINC000049468610	357217389	/nfs/dbraw/zinc/21/73/89/357217389.db2.gz	NATQPLKMCAIQJP-UHFFFAOYSA-N	-1	0	274.276	1.284	40	0		CDABRM
O=C([O-])c1cnc(Cc2cccc(Cl)c2)[nH]c1=O	ZINC000050102992	357229489	/nfs/dbraw/zinc/22/94/89/357229489.db2.gz	JPQHYYZPVZYIDF-UHFFFAOYSA-N	-1	0	264.668	1.712	40	0		CDABRM
Cc1nc(-c2ccc(F)c(F)c2)[nH]c(=O)c1CC(=O)[O-]	ZINC000041084656	358839103	/nfs/dbraw/zinc/83/91/03/358839103.db2.gz	VJUOCCWOZGVSPK-UHFFFAOYSA-N	-1	0	280.230	1.651	40	0		CDABRM
C[C@@H](c1ccc(F)cc1)n1nccc(C(=O)[O-])c1=O	ZINC000095097652	366516320	/nfs/dbraw/zinc/51/63/20/366516320.db2.gz	LQIRSCBQVFYLEP-QMMMGPOBSA-N	-1	0	262.240	1.690	40	0		CDABRM
CC[C@@H](C)Nc1ccc(C(=O)[O-])cc1S(=O)(=O)NC	ZINC000217405624	358999016	/nfs/dbraw/zinc/99/90/16/358999016.db2.gz	SEZQCZKTVRCSLQ-MRVPVSSYSA-N	-1	0	286.353	1.503	40	0		CDABRM
COc1ccc(C(=O)C[C@H](C(=O)[O-])N2CCOCC2)cc1	ZINC000113689926	359420390	/nfs/dbraw/zinc/42/03/90/359420390.db2.gz	FFBGLSJMJQWPFQ-CYBMUJFWSA-N	-1	0	293.319	1.053	40	0		CDABRM
C[C@@H](Sc1n[nH]c(COc2ccccc2)n1)C(=O)[O-]	ZINC000224974800	359541331	/nfs/dbraw/zinc/54/13/31/359541331.db2.gz	CSXMCHKCOUIFRQ-MRVPVSSYSA-N	-1	0	279.321	1.949	40	0		CDABRM
O=C([O-])Cc1ccc(OCCN2CCOCC2)cc1	ZINC000019843661	359607100	/nfs/dbraw/zinc/60/71/00/359607100.db2.gz	IWSWTTMRJODFRT-UHFFFAOYSA-N	-1	0	265.309	1.025	40	0		CDABRM
CCCCNC(=O)c1sc([N-]S(C)(=O)=O)nc1C	ZINC000225876839	359626910	/nfs/dbraw/zinc/62/69/10/359626910.db2.gz	JYXREWQXWAVSBQ-UHFFFAOYSA-N	-1	0	291.398	1.353	40	0		CDABRM
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	ZINC000034498721	363853476	/nfs/dbraw/zinc/85/34/76/363853476.db2.gz	UPAHQJOZYJQXQX-BDAKNGLRSA-N	-1	0	259.302	1.486	40	0		CDABRM
COc1ccc(CSc2n[nH]c(=O)[n-]c2=O)cc1	ZINC000016951484	363935301	/nfs/dbraw/zinc/93/53/01/363935301.db2.gz	WZBCQJVVMNIARC-UHFFFAOYSA-N	-1	0	265.294	1.171	40	0		CDABRM
Cc1ccc(Cn2nc(C)cc(C(=O)[O-])c2=O)cc1	ZINC000225961454	189767958	/nfs/dbraw/zinc/76/79/58/189767958.db2.gz	BJZALBBTKBRDCD-UHFFFAOYSA-N	-1	0	258.277	1.607	40	0		CDABRM
CC(C)C[C@]1(C)OC[C@H]([C@@H]2OC(=O)C(O)=C2[O-])O1	ZINC000253563153	370226449	/nfs/dbraw/zinc/22/64/49/370226449.db2.gz	FCMBQTJMQJMBOC-INNHCVQGSA-N	-1	0	258.270	1.417	40	0		CDABRM
COc1cnc([N-]S(=O)(=O)c2cc(C)ccc2C)nc1	ZINC000225633045	375173775	/nfs/dbraw/zinc/17/37/75/375173775.db2.gz	OSCNOABOYJOROB-UHFFFAOYSA-N	-1	0	293.348	1.903	40	0		CDABRM
COc1ccc([C@H](CC(=O)[O-])CC(=O)NC2CC2)cc1	ZINC000057573878	375533862	/nfs/dbraw/zinc/53/38/62/375533862.db2.gz	XRJQYXSFKMXMET-NSHDSACASA-N	-1	0	277.320	1.922	40	0		CDABRM
Cn1ncc(NCc2ccc(F)s2)c1C(=O)[O-]	ZINC000256050641	190003027	/nfs/dbraw/zinc/00/30/27/190003027.db2.gz	FXYYOCMXKAOMIG-UHFFFAOYSA-N	-1	0	255.274	1.931	40	0		CDABRM
O=C([O-])c1ccccc1-n1cnc(CNc2ncccn2)c1	ZINC000257214078	190013378	/nfs/dbraw/zinc/01/33/78/190013378.db2.gz	CKLBXYJPJYFSAH-UHFFFAOYSA-N	-1	0	295.302	1.973	40	0		CDABRM
CC(=O)N1CCC[C@H](c2ccnc([N-]c3ncccn3)n2)C1	ZINC000257252650	190021198	/nfs/dbraw/zinc/02/11/98/190021198.db2.gz	JVOSBFSKEPHDAX-LBPRGKRZSA-N	-1	0	298.350	1.736	40	0		CDABRM
C[C@]1(C(=O)[O-])CCN(C(=O)Cc2ccc3c(c2)CCO3)C1	ZINC000262132446	190048901	/nfs/dbraw/zinc/04/89/01/190048901.db2.gz	ILUJHRCIMKMYKF-INIZCTEOSA-N	-1	0	289.331	1.487	40	0		CDABRM
O=C([O-])[C@H]1[C@@H](C(=O)NC2CCCCC2)[C@H]2C=C[C@@H]1O2	ZINC000225750284	304209805	/nfs/dbraw/zinc/20/98/05/304209805.db2.gz	GZKYSVJIFDTBCI-NOOOWODRSA-N	-1	0	265.309	1.090	40	0		CDABRM
CC(C)NC(=S)NCc1ccc(C(=O)[O-])cc1	ZINC000005633247	378224601	/nfs/dbraw/zinc/22/46/01/378224601.db2.gz	GHUAXDVUTOSGQM-UHFFFAOYSA-N	-1	0	252.339	1.757	40	0		CDABRM
O=C([O-])[C@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)Nc1nncs1	ZINC000005094732	304212191	/nfs/dbraw/zinc/21/21/91/304212191.db2.gz	ITKCCXPWRNSEHE-KVPKETBZSA-N	-1	0	267.310	1.224	40	0		CDABRM
O=C([O-])[C@H]1CCN(c2nc(C3CC3)nc3c2CCC3)C1	ZINC000096516975	390531445	/nfs/dbraw/zinc/53/14/45/390531445.db2.gz	DCSBYYKQXHJMAM-JTQLQIEISA-N	-1	0	273.336	1.754	40	0		CDABRM
O=C([O-])c1cn(-c2nc(C3CC3)nc3c2CCC3)cn1	ZINC000096517365	390533413	/nfs/dbraw/zinc/53/34/13/390533413.db2.gz	AYUNAPUOEFBDTL-UHFFFAOYSA-N	-1	0	270.292	1.727	40	0		CDABRM
CC(=O)NC(=S)Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC000005817092	170142779	/nfs/dbraw/zinc/14/27/79/170142779.db2.gz	VUKKEQSOGQHLPH-UHFFFAOYSA-N	-1	0	272.713	1.871	40	0		CDABRM
CCC[C@H](Sc1nc(N)nc2nc[nH]c21)C(=O)[O-]	ZINC000005978874	170165248	/nfs/dbraw/zinc/16/52/48/170165248.db2.gz	MWLGNPMKQJTFKH-YFKPBYRVSA-N	-1	0	267.314	1.281	40	0	in-vitro	CDABRM
Nc1nnc(Sc2ncccc2C(=O)[O-])s1	ZINC000006220405	170183393	/nfs/dbraw/zinc/18/33/93/170183393.db2.gz	MXYFBEKVBVZRIC-UHFFFAOYSA-N	-1	0	254.296	1.365	40	0		CDABRM
Cc1ccc(NC(=O)[C@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)[O-])cc1F	ZINC000006725946	170232680	/nfs/dbraw/zinc/23/26/80/170232680.db2.gz	TZFORGPZIAVOKJ-VOAKCMCISA-N	-1	0	293.294	1.951	40	0		CDABRM
O=C([O-])[C@@H]1[C@@H](C(=O)Nc2ccc(F)c(F)c2)[C@H]2CC[C@@H]1O2	ZINC000006730906	170235121	/nfs/dbraw/zinc/23/51/21/170235121.db2.gz	COLXNDHAGKHBDF-RHYQMDGZSA-N	-1	0	297.257	1.782	40	0		CDABRM
CN1C(=O)S/C(=C\c2ccc(OCC(=O)[O-])cc2)C1=O	ZINC000008375480	170333958	/nfs/dbraw/zinc/33/39/58/170333958.db2.gz	MGZYBNHFJHQIMY-POHAHGRESA-N	-1	0	293.300	1.816	40	0		CDABRM
CCCC[C@@H](Sc1n[nH]c(=O)[n-]c1=O)C(=O)OCC	ZINC000017110032	170725573	/nfs/dbraw/zinc/72/55/73/170725573.db2.gz	PJAKCSDMFBSXFZ-SSDOTTSWSA-N	-1	0	287.341	1.497	40	0		CDABRM
O=C([O-])c1cnc(Cc2ccc(Cl)cc2)[nH]c1=O	ZINC000020134326	171021691	/nfs/dbraw/zinc/02/16/91/171021691.db2.gz	RXQOYZUOXJPPHX-UHFFFAOYSA-N	-1	0	264.668	1.712	40	0		CDABRM
COc1ccccc1OCc1ncc(C(=O)[O-])c(=O)[nH]1	ZINC000020134318	171022281	/nfs/dbraw/zinc/02/22/81/171022281.db2.gz	XNILXQDCUCTRCE-UHFFFAOYSA-N	-1	0	276.248	1.056	40	0		CDABRM
Cc1oc(C)c(C(=O)Nc2cnn(CC(=O)[O-])c2)c1C	ZINC000038030145	174021834	/nfs/dbraw/zinc/02/18/34/174021834.db2.gz	OILUIGXGTXKKRN-UHFFFAOYSA-N	-1	0	277.280	1.738	40	0		CDABRM
CCn1cc(C(=O)[O-])c(=O)c2cc(OC)c(OC)cc21	ZINC000039215321	174166334	/nfs/dbraw/zinc/16/63/34/174166334.db2.gz	AQSHMNAUMUNUHZ-UHFFFAOYSA-N	-1	0	277.276	1.737	40	0		CDABRM
COc1cccc([C@H]2[C@@H](C(=O)[O-])CC(=O)N2C2CC2)c1	ZINC000045922782	175386658	/nfs/dbraw/zinc/38/66/58/175386658.db2.gz	CLJPQWVXKXAHGQ-JSGCOSHPSA-N	-1	0	275.304	1.832	40	0		CDABRM
CCc1ccc([C@@H]2N[C@@H](C(=O)[O-])Cc3[nH]cnc32)cc1	ZINC000071610053	176231444	/nfs/dbraw/zinc/23/14/44/176231444.db2.gz	DZEOXLDQCGPCEA-OLZOCXBDSA-N	-1	0	271.320	1.660	40	0		CDABRM
CCOC(=O)C1=NN(c2cccc(C)c2)[C@@H](C(=O)[O-])C1	ZINC000071979296	176307940	/nfs/dbraw/zinc/30/79/40/176307940.db2.gz	OVDDHRDWNAPRTP-GFCCVEGCSA-N	-1	0	276.292	1.577	40	0		CDABRM
O=C([O-])Cc1nn(CC(F)(F)F)cc1Br	ZINC000072209701	176342845	/nfs/dbraw/zinc/34/28/45/176342845.db2.gz	PDFUUCPXOZMLBN-UHFFFAOYSA-N	-1	0	287.035	1.835	40	0		CDABRM
O=C([O-])[C@H]1C(=O)NC[C@@H]1c1cccc(Br)c1	ZINC000076727990	177071240	/nfs/dbraw/zinc/07/12/40/177071240.db2.gz	VTNOBLLZYPYDGE-RKDXNWHRSA-N	-1	0	284.109	1.363	40	0		CDABRM
O=C([O-])CCc1nc(CCNc2ccccc2)no1	ZINC000078400993	177337622	/nfs/dbraw/zinc/33/76/22/177337622.db2.gz	IQXFCOXAVHJQFS-UHFFFAOYSA-N	-1	0	261.281	1.741	40	0		CDABRM
O=S(=O)([N-]c1nnc[nH]1)c1ccc2c(c1)CCCC2	ZINC000028249439	304768022	/nfs/dbraw/zinc/76/80/22/304768022.db2.gz	RGPNADAGMQOFRD-UHFFFAOYSA-N	-1	0	278.337	1.484	40	0		CDABRM
O=C([O-])[C@H](Cn1cccn1)NC(=O)OCc1ccccc1	ZINC000095642933	327203032	/nfs/dbraw/zinc/20/30/32/327203032.db2.gz	IQMIVNGNLQKTJX-LBPRGKRZSA-N	-1	0	289.291	1.263	40	0		CDABRM
Cn1cc(CN2CC[C@H](C(=O)[O-])c3ccccc32)nn1	ZINC000236106911	482557114	/nfs/dbraw/zinc/55/71/14/482557114.db2.gz	PMSCWLQRBHUMMZ-LBPRGKRZSA-N	-1	0	272.308	1.394	40	0		CDABRM
CN1C(=O)C[C@@](C)(C(=O)[O-])c2cc(F)cc(F)c21	ZINC000062712454	523702946	/nfs/dbraw/zinc/70/29/46/523702946.db2.gz	MNOBEFQMAGUHHD-GFCCVEGCSA-N	-1	0	255.220	1.674	40	0		CDABRM
C[C@@](NC(=O)c1cnsn1)(C(=O)[O-])c1ccccc1	ZINC000052879071	525755543	/nfs/dbraw/zinc/75/55/43/525755543.db2.gz	WORSXCJFMZFOAB-LBPRGKRZSA-N	-1	0	277.305	1.268	40	0		CDABRM
CCc1cccc(S(=O)(=O)N(C)CCC(=O)[O-])c1	ZINC000262472196	535908334	/nfs/dbraw/zinc/90/83/34/535908334.db2.gz	UNCAHRVVMCIACZ-UHFFFAOYSA-N	-1	0	271.338	1.344	40	0		CDABRM
Cc1nn2c([n-]1)nc(CSc1ccccn1)cc2=O	ZINC000100071736	230391563	/nfs/dbraw/zinc/39/15/63/230391563.db2.gz	WAMJFTPKFLVWJP-UHFFFAOYSA-N	-1	0	273.321	1.413	40	0		CDABRM
O=C([O-])c1nnn(CCOc2ccccc2)c1Cl	ZINC000225767030	230399619	/nfs/dbraw/zinc/39/96/19/230399619.db2.gz	NZTXAVOKBIZIFY-UHFFFAOYSA-N	-1	0	267.672	1.709	40	0		CDABRM
COC[C@@]1(C(=O)[O-])CCCN1C(=O)c1scnc1C	ZINC000643853371	361939805	/nfs/dbraw/zinc/93/98/05/361939805.db2.gz	YSXHBYFFQSVOEV-GFCCVEGCSA-N	-1	0	284.337	1.157	40	0		CDABRM
CN(C)c1ccccc1CNC(=O)NCCC(=O)[O-]	ZINC000230827466	345087949	/nfs/dbraw/zinc/08/79/49/345087949.db2.gz	OTXQCWWVHMJYPT-UHFFFAOYSA-N	-1	0	265.313	1.027	40	0		CDABRM
O=C([O-])c1cc(I)c2cc[nH]c2n1	ZINC000044712568	345454930	/nfs/dbraw/zinc/45/49/30/345454930.db2.gz	KPIJFVZLLBQEOO-UHFFFAOYSA-N	-1	0	288.044	1.866	40	0		CDABRM
C[C@H]1CCCN(c2nsnc2OCC(=O)[O-])C1	ZINC000085394181	179049273	/nfs/dbraw/zinc/04/92/73/179049273.db2.gz	MTHLGPSPHVTEHQ-ZETCQYMHSA-N	-1	0	257.315	1.238	40	0		CDABRM
CCCCC[C@H](C)NC(=O)[C@H]1[C@@H](C(=O)[O-])[C@H]2C=C[C@@H]1O2	ZINC000225675120	282697945	/nfs/dbraw/zinc/69/79/45/282697945.db2.gz	QQPSTRPSJRTBSS-YYHQMBLXSA-N	-1	0	281.352	1.726	40	0		CDABRM
O=C([O-])c1nn(-c2ccc(F)cc2)nc1N1CCCC1	ZINC000256048401	350908917	/nfs/dbraw/zinc/90/89/17/350908917.db2.gz	SSFISICHRBZFAZ-UHFFFAOYSA-N	-1	0	276.271	1.705	40	0		CDABRM
Cn1ccc([N-]S(=O)(=O)Cc2ccccc2)n1	ZINC000014248691	366140898	/nfs/dbraw/zinc/14/08/98/366140898.db2.gz	YMLAUMAVPLYRBD-UHFFFAOYSA-N	-1	0	251.311	1.362	40	0		CDABRM
NC(=O)c1ccc(NC(=O)C2(C(=O)[O-])CC2)cc1Cl	ZINC000165021051	188629198	/nfs/dbraw/zinc/62/91/98/188629198.db2.gz	ULGMUOAPGVTGBS-UHFFFAOYSA-N	-1	0	282.683	1.242	40	0		CDABRM
Cc1cccc(NC(=O)c2cc(C(=O)[O-])n(C)n2)c1	ZINC000002767541	355982252	/nfs/dbraw/zinc/98/22/52/355982252.db2.gz	FKBNECQADLBPAU-UHFFFAOYSA-N	-1	0	259.265	1.679	40	0		CDABRM
O=C([O-])c1ccccc1C[N@H+]1CCC[C@@H](C(=O)[O-])C1	ZINC000001639969	355943446	/nfs/dbraw/zinc/94/34/46/355943446.db2.gz	QZSWXOMWULLHQN-LLVKDONJSA-N	-1	0	263.293	1.681	40	0	in-vitro	CDABRM
Cc1ccc(C(=O)Nc2cnc3cc[n-]n3c2=O)cc1	ZINC000408609382	356023905	/nfs/dbraw/zinc/02/39/05/356023905.db2.gz	RDHCYRGCUXQMKY-UHFFFAOYSA-N	-1	0	268.276	1.583	40	0		CDABRM
O=c1[n-]n(C[C@H]2CCSC2)c(=O)c2c1CCCC2	ZINC000634629344	356597087	/nfs/dbraw/zinc/59/70/87/356597087.db2.gz	RZSILKQIAZQMSP-SECBINFHSA-N	-1	0	266.366	1.581	40	0		CDABRM
CCCCCCC1C(=O)N=C(SCC(N)=O)N=C1[O-]	ZINC000028167053	356717319	/nfs/dbraw/zinc/71/73/19/356717319.db2.gz	LNACOOUHMHCYOA-UHFFFAOYSA-N	-1	0	285.369	1.176	40	0		CDABRM
O=C([O-])CN1C(=O)S/C(=C/c2ccc(O)cc2)C1=O	ZINC000005649437	304067054	/nfs/dbraw/zinc/06/70/54/304067054.db2.gz	LDSAGOKBOKCGGG-WEVVVXLNSA-N	-1	0	279.273	1.513	40	0		CDABRM
CCOC(=O)C=C(C)N[C@@H](C(=O)[O-])c1ccc(O)cc1	ZINC000100046421	358819017	/nfs/dbraw/zinc/81/90/17/358819017.db2.gz	GGGUKEUZOYLABH-MMQHEFTJSA-N	-1	0	279.292	1.574	40	0		CDABRM
Cc1ccc(C)c(N2C(=O)C[C@@H](SCC(=O)[O-])C2=O)c1	ZINC000100855828	358835744	/nfs/dbraw/zinc/83/57/44/358835744.db2.gz	CJKGHUIZDSGTEL-LLVKDONJSA-N	-1	0	293.344	1.753	40	0		CDABRM
CCOc1ccccc1OCc1ncc(C(=O)[O-])c(=O)[nH]1	ZINC000217383224	358997505	/nfs/dbraw/zinc/99/75/05/358997505.db2.gz	USWMKBSVFQDZEK-UHFFFAOYSA-N	-1	0	290.275	1.446	40	0		CDABRM
O=C([O-])Cc1cc(N2CCN(c3ccccc3)CC2)ncn1	ZINC000225010043	359544112	/nfs/dbraw/zinc/54/41/12/359544112.db2.gz	DVBXKOVTKDGKAV-UHFFFAOYSA-N	-1	0	298.346	1.430	40	0		CDABRM
O=C([O-])[C@@H]1CCCN(c2ncnc3c2CCCC3)C1	ZINC000094871397	304111126	/nfs/dbraw/zinc/11/11/26/304111126.db2.gz	XELUEZLSHQZVTI-SNVBAGLBSA-N	-1	0	261.325	1.656	40	0		CDABRM
COCCN1C(=O)C[C@@H](C(=O)[O-])[C@H]1c1ccc(OC)cc1	ZINC000049466728	364011056	/nfs/dbraw/zinc/01/10/56/364011056.db2.gz	SJZOECFDVQEXBI-TZMCWYRMSA-N	-1	0	293.319	1.316	40	0		CDABRM
CCOC(=O)[C@@]1(Br)[C@@H](C(=O)[O-])[C@H]2C=C[C@@H]1C2	ZINC000005459932	364831062	/nfs/dbraw/zinc/83/10/62/364831062.db2.gz	XABGVKLVLNKKAU-RFOGZPIASA-N	-1	0	289.125	1.590	40	0		CDABRM
O=C([O-])[C@@H]1CCCN(C(=O)c2cnn(-c3ccccc3)c2)C1	ZINC000225007915	367337292	/nfs/dbraw/zinc/33/72/92/367337292.db2.gz	RCUGKOANZREYSX-GFCCVEGCSA-N	-1	0	299.330	1.809	40	0		CDABRM
Cn1ncc(C(=O)[O-])c1NCc1ccc(F)s1	ZINC000256055156	190005269	/nfs/dbraw/zinc/00/52/69/190005269.db2.gz	ZLNOTCWAOPODOA-UHFFFAOYSA-N	-1	0	255.274	1.931	40	0		CDABRM
O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)N1CCCCCC1	ZINC000004904544	304211414	/nfs/dbraw/zinc/21/14/14/304211414.db2.gz	BCXDAYVGRBLLJD-XQHKEYJVSA-N	-1	0	263.337	1.912	40	0		CDABRM
O=C1[N-]C(=O)/C(=C\c2c(O)ccc3ccccc32)N1	ZINC000102291574	284858337	/nfs/dbraw/zinc/85/83/37/284858337.db2.gz	BCCDBDKOOIMJAC-YRNVUSSQSA-N	-1	0	254.245	1.726	40	0		CDABRM
O=C([O-])c1ccn(Cc2cn3cc(F)ccc3n2)n1	ZINC000096517398	390533002	/nfs/dbraw/zinc/53/30/02/390533002.db2.gz	DZZMCQFDGHHYMY-UHFFFAOYSA-N	-1	0	260.228	1.416	40	0		CDABRM
Cc1ccccc1Cn1nnc(C(=O)[O-])c1Cl	ZINC000072220886	390622310	/nfs/dbraw/zinc/62/23/10/390622310.db2.gz	ISIVFLYLOLZYLA-UHFFFAOYSA-N	-1	0	251.673	1.986	40	0		CDABRM
COc1ccc(C2CC(=O)N(CC(=O)[O-])C(=O)C2)cc1	ZINC000001873924	533431059	/nfs/dbraw/zinc/43/10/59/533431059.db2.gz	FUJGUBRXOIBABP-UHFFFAOYSA-N	-1	0	277.276	1.012	40	0		CDABRM
O=C([O-])CN1C(=O)CC2(CCCCCCC2)C1=O	ZINC000064876056	392866634	/nfs/dbraw/zinc/86/66/34/392866634.db2.gz	UGKJHFWSDXWVHX-UHFFFAOYSA-N	-1	0	253.298	1.561	40	0		CDABRM
CN(C)c1nccc(N2CCC[C@@H](CC(=O)[O-])C2)n1	ZINC000085436991	135037041	/nfs/dbraw/zinc/03/70/41/135037041.db2.gz	FSXONHMFFUVWBE-JTQLQIEISA-N	-1	0	264.329	1.234	40	0		CDABRM
Cc1ccsc1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	ZINC000262419578	149061021	/nfs/dbraw/zinc/06/10/21/149061021.db2.gz	MWEJDMHHFAKENN-VIFPVBQESA-N	-1	0	291.394	1.834	40	0		CDABRM
CC(C)(C)OC(=O)N[C@H](c1ccccc1)[C@H](O)C(=O)[O-]	ZINC000002505650	169796595	/nfs/dbraw/zinc/79/65/95/169796595.db2.gz	ZVAFCKLQJCZGAP-MNOVXSKESA-N	-1	0	281.308	1.698	40	0		CDABRM
CCOC(=O)CC(=O)c1c([O-])c2ccccc2n(C)c1=O	ZINC000005510155	170105896	/nfs/dbraw/zinc/10/58/96/170105896.db2.gz	MXDQQLAKHBQBBK-UHFFFAOYSA-N	-1	0	289.287	1.380	40	0		CDABRM
CCOC(=O)/C(=C\c1ccc2c(c1)OCO2)CC(=O)[O-]	ZINC000005733748	170135489	/nfs/dbraw/zinc/13/54/89/170135489.db2.gz	YRDJGRFNTNGPLT-YHYXMXQVSA-N	-1	0	278.260	1.837	40	0		CDABRM
Cc1ccccc1[C@H]1N[C@@H](C(=O)[O-])Cc2[nH]cnc21	ZINC000005818611	170143582	/nfs/dbraw/zinc/14/35/82/170143582.db2.gz	CXOWHMVJZDSFAU-VXGBXAGGSA-N	-1	0	257.293	1.406	40	0		CDABRM
C[C@H]([N-]S(=O)(=O)N1CCOC1=O)c1ccccc1	ZINC000006437464	170201501	/nfs/dbraw/zinc/20/15/01/170201501.db2.gz	XNCDAWKGNHVSHX-VIFPVBQESA-N	-1	0	270.310	1.034	40	0		CDABRM
O=C([O-])[C@H]1CC(=O)N(c2cc(Cl)ccc2O)C1	ZINC000007089677	170267081	/nfs/dbraw/zinc/26/70/81/170267081.db2.gz	NVFYUYGMHYBHTI-LURJTMIESA-N	-1	0	255.657	1.483	40	0		CDABRM
COc1ccc(-c2nc(C)c(CC(=O)[O-])c(=O)[nH]2)cc1	ZINC000022123982	171354000	/nfs/dbraw/zinc/35/40/00/171354000.db2.gz	LAIBZZZVPCCDML-UHFFFAOYSA-N	-1	0	274.276	1.381	40	0		CDABRM
O=C([O-])[C@H]1CCN(S(=O)(=O)N2CCC2)c2ccccc21	ZINC000656645606	413510975	/nfs/dbraw/zinc/51/09/75/413510975.db2.gz	PRQMLIRAFHKFPJ-NSHDSACASA-N	-1	0	296.348	1.015	40	0		CDABRM
O=C([O-])CCNC(=O)/C=C/c1cccc(Cl)c1	ZINC000037411778	173188401	/nfs/dbraw/zinc/18/84/01/173188401.db2.gz	PZCBWJIVABQYHC-SNAWJCMRSA-N	-1	0	253.685	1.944	40	0		CDABRM
CCCCSC(=S)[N-][C@]1(C)CCS(=O)(=O)C1	ZINC000040167658	174198908	/nfs/dbraw/zinc/19/89/08/174198908.db2.gz	FUSXCPFOUFGNCI-SNVBAGLBSA-N	-1	0	281.468	1.971	40	0		CDABRM
CCn1ccc(C(=O)N2CCC(CC(=O)[O-])CC2)n1	ZINC000072344578	176372961	/nfs/dbraw/zinc/37/29/61/176372961.db2.gz	CLWIDAULEXYOGE-UHFFFAOYSA-N	-1	0	265.313	1.230	40	0		CDABRM
COC(=O)[C@@]1(C(=O)[O-])C[C@@H]1c1ccccc1OC	ZINC000072406698	176397845	/nfs/dbraw/zinc/39/78/45/176397845.db2.gz	BOAVDWYZKSYJAB-RNCFNFMXSA-N	-1	0	250.250	1.427	40	0		CDABRM
CC(C)Oc1ccc([C@H]2CNC(=O)[C@H]2C(=O)[O-])cc1	ZINC000076360013	177000936	/nfs/dbraw/zinc/00/09/36/177000936.db2.gz	VAWSZHIXCAWMOQ-NEPJUHHUSA-N	-1	0	263.293	1.388	40	0		CDABRM
COc1cccc(-n2c(N)c(C(=O)[O-])cnc2=S)c1	ZINC000217677664	295280977	/nfs/dbraw/zinc/28/09/77/295280977.db2.gz	KVLXMADMCWUGHR-UHFFFAOYSA-N	-1	0	277.305	1.891	40	0		CDABRM
Nc1c(C(=O)[O-])cnc2nc(-c3ccccc3)nn21	ZINC000072415096	303491898	/nfs/dbraw/zinc/49/18/98/303491898.db2.gz	YFYJIWUHLUBQLM-UHFFFAOYSA-N	-1	0	255.237	1.072	40	0		CDABRM
Cc1ccc(S(=O)(=O)[N-]C(=O)OC(C)C)cc1	ZINC000006214411	326817556	/nfs/dbraw/zinc/81/75/56/326817556.db2.gz	FOKWWPWMZYWNKM-UHFFFAOYSA-N	-1	0	257.311	1.818	40	0		CDABRM
Cc1nccc(C(=O)N[C@@]2(C(=O)[O-])CCc3ccccc32)n1	ZINC000675988351	483391194	/nfs/dbraw/zinc/39/11/94/483391194.db2.gz	HHDNPLQLLHLJGG-INIZCTEOSA-N	-1	0	297.314	1.441	40	0		CDABRM
CC[C@H](Sc1nnnn1-c1cccc(C)c1)C(=O)[O-]	ZINC000007871732	948771076	/nfs/dbraw/zinc/77/10/76/948771076.db2.gz	FSZLDWZLNIWFNJ-JTQLQIEISA-N	-1	0	278.337	1.926	40	0		CDABRM
COCCOc1ccc(C(=O)[O-])cc1N1CCOCC1	ZINC000008703669	342485749	/nfs/dbraw/zinc/48/57/49/342485749.db2.gz	PDMJQCHDKZVLNU-UHFFFAOYSA-N	-1	0	281.308	1.247	40	0		CDABRM
CC1(C)C(=O)Nc2ccc(C(=O)CCC(=O)[O-])cc21	ZINC000082621663	178133779	/nfs/dbraw/zinc/13/37/79/178133779.db2.gz	RTGNHWLJWHWSDH-UHFFFAOYSA-N	-1	0	261.277	1.964	40	0		CDABRM
CC(C)(C)OC(=O)[C@H](N)Cc1ccc(CC(=O)[O-])cc1	ZINC000204928165	350023769	/nfs/dbraw/zinc/02/37/69/350023769.db2.gz	SMALXADJFIGVRY-GFCCVEGCSA-N	-1	0	279.336	1.525	40	0		CDABRM
CCCCC[C@@H](C)NC(=O)[C@@H]1[C@@H](C(=O)[O-])[C@H]2CC[C@@H]1O2	ZINC000002772474	282690999	/nfs/dbraw/zinc/69/09/99/282690999.db2.gz	NLROVRSIEBLLOY-FHUSYTEZSA-N	-1	0	283.368	1.950	40	0		CDABRM
CCOc1cccc(NC(=O)CSCC(=O)[O-])c1	ZINC000000420792	355910696	/nfs/dbraw/zinc/91/06/96/355910696.db2.gz	USCNYXRHWDCCQF-UHFFFAOYSA-N	-1	0	269.322	1.842	40	0		CDABRM
NNS(=O)(=O)CCCCCCCCCCC(=O)[O-]	ZINC000001715058	355948699	/nfs/dbraw/zinc/94/86/99/355948699.db2.gz	PUYPJQHQSVPZRX-UHFFFAOYSA-N	-1	0	280.390	1.375	40	0		CDABRM
CCOC(=O)C=C(C)N[C@@H](C(=O)[O-])c1ccccc1	ZINC000016682081	356444685	/nfs/dbraw/zinc/44/46/85/356444685.db2.gz	SDGOHFKMDLYFMZ-ASCRHOAZSA-N	-1	0	263.293	1.869	40	0		CDABRM
Nc1nc(SCC(=O)[O-])nc2sc3c(c21)CCC3	ZINC000016846603	356447533	/nfs/dbraw/zinc/44/75/33/356447533.db2.gz	OBBLRUNECXZCQL-UHFFFAOYSA-N	-1	0	281.362	1.939	40	0		CDABRM
Cc1cc(C)cc(C[C@H](C(=O)[O-])N2CCOCC2)c1	ZINC000057550756	357360589	/nfs/dbraw/zinc/36/05/89/357360589.db2.gz	HWTBSOVQXDBGTC-CQSZACIVSA-N	-1	0	263.337	1.631	40	0		CDABRM
O=C([O-])c1ccc(NC(=O)C[C@@H]2CCS(=O)(=O)C2)cc1	ZINC000036870645	358616773	/nfs/dbraw/zinc/61/67/73/358616773.db2.gz	ZOOXAXPMMXWNNH-VIFPVBQESA-N	-1	0	297.332	1.148	40	0		CDABRM
Cc1cnc(N2CCC[C@H](C(=O)[O-])C2)nc1Cl	ZINC000072203187	359048459	/nfs/dbraw/zinc/04/84/59/359048459.db2.gz	IOGSPTLIHVHGGU-QMMMGPOBSA-N	-1	0	255.705	1.739	40	0		CDABRM
Cc1c(Cl)cccc1C(=O)N1CCO[C@@H](CC(=O)[O-])C1	ZINC000219560812	367268098	/nfs/dbraw/zinc/26/80/98/367268098.db2.gz	VLORXIPHBMCZQN-JTQLQIEISA-N	-1	0	297.738	1.964	40	0		CDABRM
COc1csc(C(=O)N2CCOC[C@H]2CC(=O)[O-])c1	ZINC000161422712	373696055	/nfs/dbraw/zinc/69/60/55/373696055.db2.gz	OCAHDOAWUCAGNQ-MRVPVSSYSA-N	-1	0	285.321	1.072	40	0		CDABRM
COc1ccc(OC)c(/C=C2/NC(=S)NC2=O)c1	ZINC000026841797	374442295	/nfs/dbraw/zinc/44/22/95/374442295.db2.gz	BOLWPQAXKNAKTG-RMKNXTFCSA-N	-1	0	264.306	1.049	40	0		CDABRM
O=C([O-])CCC(=O)Nc1ccc2c(c1)CCCC(=O)N2	ZINC000227169491	375457858	/nfs/dbraw/zinc/45/78/58/375457858.db2.gz	FSXJBKMQYZEQSZ-UHFFFAOYSA-N	-1	0	276.292	1.765	40	0		CDABRM
COCCNC(=O)C[C@H](CC(=O)[O-])c1ccc(OC)cc1	ZINC000057623275	375545035	/nfs/dbraw/zinc/54/50/35/375545035.db2.gz	MUMXXTKSJNZQSW-GFCCVEGCSA-N	-1	0	295.335	1.406	40	0		CDABRM
O=C([O-])Cc1ccc([C@H]2CCS(=O)(=O)C2)cc1	ZINC000217780910	375731912	/nfs/dbraw/zinc/73/19/12/375731912.db2.gz	HWMATMXNZUGUOD-NSHDSACASA-N	-1	0	254.307	1.216	40	0		CDABRM
Cc1cccc(COn2cccc(C(=O)[O-])c2=O)c1	ZINC000041670625	375841255	/nfs/dbraw/zinc/84/12/55/375841255.db2.gz	ZFUAMSHUXLRGNG-UHFFFAOYSA-N	-1	0	259.261	1.484	40	0		CDABRM
CC(C)[C@H](N[C@H]1CC(c2ccco2)=NN1)C(=O)[O-]	ZINC000000074942	169527193	/nfs/dbraw/zinc/52/71/93/169527193.db2.gz	ICFOLRWGJBTDQK-MNOVXSKESA-N	-1	0	251.286	1.002	40	0		CDABRM
O=C([O-])c1cc(N2C(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)ccc1O	ZINC000004552591	304225795	/nfs/dbraw/zinc/22/57/95/304225795.db2.gz	ZAZMSDXLIDWFSO-OZVVPTBGSA-N	-1	0	299.282	1.402	40	0		CDABRM
O=C([O-])c1ccc(N2CC[C@H](N3CCOCC3)C2)s1	ZINC000079052320	304246976	/nfs/dbraw/zinc/24/69/76/304246976.db2.gz	IAEMKPZEZKTRTJ-JTQLQIEISA-N	-1	0	282.365	1.357	40	0		CDABRM
C[C@@H]1CCCC[C@H]1NC(=O)[C@H]1[C@@H](C(=O)[O-])[C@H]2CC[C@@H]1O2	ZINC000017008591	296356683	/nfs/dbraw/zinc/35/66/83/296356683.db2.gz	ZKUKAPRFCHJVNA-LYUGOTMTSA-N	-1	0	281.352	1.560	40	0		CDABRM
CC1=C(C(=O)[O-])S[C@@H](N)N1C(=O)OC(C)(C)C	ZINC000098087576	390445308	/nfs/dbraw/zinc/44/53/08/390445308.db2.gz	CBXQUJSWBGXLMI-QMMMGPOBSA-N	-1	0	260.315	1.529	40	0		CDABRM
O=C([O-])c1nnn(-c2ccc(F)cc2)c1-n1cccc1	ZINC000096517297	390532981	/nfs/dbraw/zinc/53/29/81/390532981.db2.gz	BRSQLZNORFGXPG-UHFFFAOYSA-N	-1	0	272.239	1.895	40	0		CDABRM
O=C([O-])CN1C=Nc2sc3c(c2[C@H]1O)CCCC3	ZINC000096372314	390987456	/nfs/dbraw/zinc/98/74/56/390987456.db2.gz	ZHMYKMURBADOHT-GFCCVEGCSA-N	-1	0	266.322	1.678	40	0		CDABRM
O=C([O-])c1ccc(C(=O)N2CC[C@@H]3CCC[C@H]32)nc1	ZINC000378757142	393304429	/nfs/dbraw/zinc/30/44/29/393304429.db2.gz	YQCRULMDDDSEHG-JOYOIKCWSA-N	-1	0	260.293	1.794	40	0		CDABRM
C[C@@H]1CC[C@@H]2C(C)(C)C[C@](C)(CO)[C@]2(O)[C@@H]1C(=O)[O-]	ZINC000247854336	296665715	/nfs/dbraw/zinc/66/57/15/296665715.db2.gz	CAKZQSFFOAEEET-IUPFNGILSA-N	-1	0	270.369	1.893	40	0	biogenic,in-vitro	CDABRM
O=C([O-])CC(=O)c1ccc(I)cc1	ZINC000001715285	169749069	/nfs/dbraw/zinc/74/90/69/169749069.db2.gz	YNHLBUMNIGSAFZ-UHFFFAOYSA-N	-1	0	290.056	1.949	40	0		CDABRM
COc1cccc([C@H]2N[C@@H](C(=O)[O-])Cc3[nH]cnc32)c1	ZINC000005817950	170143366	/nfs/dbraw/zinc/14/33/66/170143366.db2.gz	DDWQMCSPJFORRV-VXGBXAGGSA-N	-1	0	273.292	1.107	40	0		CDABRM
O=C([O-])CCSC1=N[C@H]2C=Cc3nsnc3[C@@H]2N1	ZINC000006293060	170189108	/nfs/dbraw/zinc/18/91/08/170189108.db2.gz	NPQJYIZOWBZODL-YLWLKBPMSA-N	-1	0	282.350	1.142	40	0		CDABRM
COc1ccc(C=O)cc1Cn1cc(C(=O)[O-])cn1	ZINC000020314335	171145323	/nfs/dbraw/zinc/14/53/23/171145323.db2.gz	XSRMKXVYRRHHQY-UHFFFAOYSA-N	-1	0	260.249	1.451	40	0		CDABRM
CC1=C(C(=O)[O-])[C@H](C(=O)Nc2ccccc2)CC(=O)N1	ZINC000020568873	171255563	/nfs/dbraw/zinc/25/55/63/171255563.db2.gz	GWMVCSOCTHBIJA-SNVBAGLBSA-N	-1	0	274.276	1.120	40	0		CDABRM
Cc1nc(-c2ccc(F)cc2)[nH]c(=O)c1CC(=O)[O-]	ZINC000022123969	171354029	/nfs/dbraw/zinc/35/40/29/171354029.db2.gz	VIJCYVIBTVOBFI-UHFFFAOYSA-N	-1	0	262.240	1.512	40	0		CDABRM
CC[C@@H](C)[C@@H](NC(=O)Cc1ccccc1F)C(=O)[O-]	ZINC000022223530	171379759	/nfs/dbraw/zinc/37/97/59/171379759.db2.gz	LRYDSOCWTGIMHR-NOZJJQNGSA-N	-1	0	267.300	1.984	40	0		CDABRM
O=C([O-])c1ccccc1C(=O)N1CCCC[C@@H]1CO	ZINC000035135630	172003328	/nfs/dbraw/zinc/00/33/28/172003328.db2.gz	YNEQKKYAFOFLJZ-SNVBAGLBSA-N	-1	0	263.293	1.372	40	0		CDABRM
CCCC(=O)Nc1ccc(N2C[C@H](C(=O)[O-])CC2=O)cc1	ZINC000045953837	175389090	/nfs/dbraw/zinc/38/90/90/175389090.db2.gz	CXWBQEFWTOCJKK-SNVBAGLBSA-N	-1	0	290.319	1.863	40	0		CDABRM
CCOC(=O)C1=NN(c2cccc(Cl)c2)[C@@H](C(=O)[O-])C1	ZINC000071979400	176307906	/nfs/dbraw/zinc/30/79/06/176307906.db2.gz	YMURMBHZHWGERJ-LLVKDONJSA-N	-1	0	296.710	1.922	40	0		CDABRM
CCCn1nc(N)c(I)c1C(=O)[O-]	ZINC000072339484	176371310	/nfs/dbraw/zinc/37/13/10/176371310.db2.gz	UQRFTLCGRGRYOO-UHFFFAOYSA-N	-1	0	295.080	1.178	40	0		CDABRM
CC(C)(C)OC(=O)N1C[C@@H]2CC(C(=O)[O-])C[C@@H]2C1	ZINC000012506796	278415698	/nfs/dbraw/zinc/41/56/98/278415698.db2.gz	QGUILIYSENMTGT-PBINXNQUSA-N	-1	0	255.314	1.964	40	0		CDABRM
Cn1cnc2c1[C@H](C(=O)[O-])CN(C(=O)OC(C)(C)C)C2	ZINC000309735886	303023093	/nfs/dbraw/zinc/02/30/93/303023093.db2.gz	CWGYFPMPJCCETD-MRVPVSSYSA-N	-1	0	281.312	1.339	40	0		CDABRM
O=C([O-])c1c(-c2ccccc2)nc2n1CCS2(=O)=O	ZINC000001104917	326793302	/nfs/dbraw/zinc/79/33/02/326793302.db2.gz	NERVJTSRKCIVGV-UHFFFAOYSA-N	-1	0	278.289	1.036	40	0		CDABRM
CC[C@H](C(=O)[O-])N(C)C(=O)c1ccc(OC)cc1F	ZINC000228705349	482506744	/nfs/dbraw/zinc/50/67/44/482506744.db2.gz	UEKJXOCSDKAGLK-LLVKDONJSA-N	-1	0	269.272	1.770	40	0		CDABRM
COc1ccc(C(=O)N(CC(=O)[O-])CC2CC2)c(F)c1	ZINC000224747429	538832389	/nfs/dbraw/zinc/83/23/89/538832389.db2.gz	CHJQHGNNKAMZGU-UHFFFAOYSA-N	-1	0	281.283	1.771	40	0		CDABRM
Cc1nn([C@H](C)C(=O)[O-])c(C)c1I	ZINC000072339324	365646736	/nfs/dbraw/zinc/64/67/36/365646736.db2.gz	QYLVULGPWMGYBE-ZCFIWIBFSA-N	-1	0	294.092	1.750	40	0		CDABRM
NS(=O)(=O)c1cc(C(=O)[O-])ccc1N1CCCCC1	ZINC000138500512	361990403	/nfs/dbraw/zinc/99/04/03/361990403.db2.gz	ZDBNCEBBESBJNN-UHFFFAOYSA-N	-1	0	284.337	1.023	40	0		CDABRM
CCOC(=O)c1cn(Cc2ccccc2)nc1C(=O)[O-]	ZINC000675031086	539083763	/nfs/dbraw/zinc/08/37/63/539083763.db2.gz	FERDAGHPJVWOGB-UHFFFAOYSA-N	-1	0	274.276	1.806	40	0		CDABRM
C[C@H]1c2ncc(C(=O)[O-])n2CCN1C(=O)OC(C)(C)C	ZINC000396158567	342283624	/nfs/dbraw/zinc/28/36/24/342283624.db2.gz	KQWCDSMLQWMMOO-QMMMGPOBSA-N	-1	0	281.312	1.893	40	0		CDABRM
COC(=O)[C@H]1CC[C@H](C(=O)[O-])N1Cc1ccccc1	ZINC000034161203	343397577	/nfs/dbraw/zinc/39/75/77/343397577.db2.gz	PPRLCASKVDQSEK-VXGBXAGGSA-N	-1	0	263.293	1.277	40	0		CDABRM
CCCC[C@H](NC(=O)OC(C)(C)C)[C@H](O)CC(=O)[O-]	ZINC000059723807	345055743	/nfs/dbraw/zinc/05/57/43/345055743.db2.gz	SXJYRMZSGGQNDY-VHSXEESVSA-N	-1	0	275.345	1.906	40	0		CDABRM
O=C([O-])c1csc(CCNC(=O)Cc2cccs2)n1	ZINC000090940589	180068601	/nfs/dbraw/zinc/06/86/01/180068601.db2.gz	CEMHGDWHHCBGLV-UHFFFAOYSA-N	-1	0	296.373	1.804	40	0		CDABRM
C[C@@H](CN(C(=O)c1cccn1C)C1CC1)C(=O)[O-]	ZINC000225552969	356046209	/nfs/dbraw/zinc/04/62/09/356046209.db2.gz	CUWVHPNDDMTJPG-VIFPVBQESA-N	-1	0	250.298	1.350	40	0		CDABRM
C[C@@H](NC(=O)c1cccc(Br)c1)C(=O)[O-]	ZINC000004201411	356021769	/nfs/dbraw/zinc/02/17/69/356021769.db2.gz	KGZCLKKCXYCFBN-ZCFIWIBFSA-N	-1	0	272.098	1.652	40	0		CDABRM
CO[N-]C(=O)C(=O)Nc1ccccc1-c1ccccc1	ZINC000134769536	356394338	/nfs/dbraw/zinc/39/43/38/356394338.db2.gz	PSKYAHQMMFMJEA-UHFFFAOYSA-N	-1	0	270.288	1.970	40	0		CDABRM
CCC[C@@H](C)NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1	ZINC000019982006	356520792	/nfs/dbraw/zinc/52/07/92/356520792.db2.gz	FSDFBYLXLVNBHV-MRVPVSSYSA-N	-1	0	289.328	1.991	40	0		CDABRM
CC([O-])=c1nnc2c(-c3ccccc3)cnn2c1=O	ZINC000020310659	356536669	/nfs/dbraw/zinc/53/66/69/356536669.db2.gz	BMGVBIQTRXPYLJ-UHFFFAOYSA-N	-1	0	254.249	1.700	40	0		CDABRM
CCc1ccc(C[C@H](C(=O)[O-])N2CCOCC2)cc1	ZINC000041356130	357032065	/nfs/dbraw/zinc/03/20/65/357032065.db2.gz	FSZDJKBCKMUEHI-CQSZACIVSA-N	-1	0	263.337	1.577	40	0		CDABRM
Cc1cc2c(o1)c1cnn([C@@H](C)C(=O)[O-])c(=O)c1n2C	ZINC000072373648	357830577	/nfs/dbraw/zinc/83/05/77/357830577.db2.gz	HTBSXIBBXDBJFF-ZETCQYMHSA-N	-1	0	275.264	1.435	40	0		CDABRM
O=C([O-])COCCNC(=O)C12CC3CC(CC(C3)C1)C2	ZINC000003851908	304070079	/nfs/dbraw/zinc/07/00/79/304070079.db2.gz	PXQYWBJBQFEYDX-UHFFFAOYSA-N	-1	0	281.352	1.420	40	0		CDABRM
O=C1O[C@H]([C@@H]2CO[C@@H](c3ccccc3)O2)C([O-])=C1O	ZINC000101104633	358839839	/nfs/dbraw/zinc/83/98/39/358839839.db2.gz	SWTGJCNCBUCXSS-RLCGTCKNSA-N	-1	0	264.233	1.354	40	0	in-man	CDABRM
CCc1nc2n(n1)[C@H](c1cccnc1)CC(C(=O)[O-])=N2	ZINC000102334203	358875776	/nfs/dbraw/zinc/87/57/76/358875776.db2.gz	TVTXWBJMJLTKRE-JTQLQIEISA-N	-1	0	271.280	1.219	40	0		CDABRM
O=C([O-])CCc1nnc(COc2ccc(F)cc2)o1	ZINC000032114333	359187039	/nfs/dbraw/zinc/18/70/39/359187039.db2.gz	NCQPEZAUBGEQLX-UHFFFAOYSA-N	-1	0	266.228	1.805	40	0		CDABRM
Cc1nc2n(n1)[C@H](c1cccc(F)c1)CC(C(=O)[O-])=N2	ZINC000102278281	364567942	/nfs/dbraw/zinc/56/79/42/364567942.db2.gz	IBOLFJBAMKWNCZ-NSHDSACASA-N	-1	0	274.255	1.709	40	0		CDABRM
CC(C)[C@@H]([NH2+]Cc1ccc(C(=O)[O-])cc1)C(=O)[O-]	ZINC000062718078	364835143	/nfs/dbraw/zinc/83/51/43/364835143.db2.gz	CJMIOQXDLOWZGM-LLVKDONJSA-N	-1	0	251.282	1.584	40	0		CDABRM
CC(=O)Nc1ccc(OCC(=O)[O-])c2ncccc12	ZINC000217695781	189711306	/nfs/dbraw/zinc/71/13/06/189711306.db2.gz	MMNVFOACLVAALW-UHFFFAOYSA-N	-1	0	260.249	1.657	40	0		CDABRM
O=C([O-])[C@@H]1COC2(CCCCC2)N1C(=O)c1cccnc1	ZINC000071979769	304134096	/nfs/dbraw/zinc/13/40/96/304134096.db2.gz	XRVUHARVJXPUMM-LBPRGKRZSA-N	-1	0	290.319	1.668	40	0		CDABRM
O=C([O-])c1cccn(CCc2ccccc2F)c1=O	ZINC000049848662	370285932	/nfs/dbraw/zinc/28/59/32/370285932.db2.gz	WZAVZHWPBDFSGB-UHFFFAOYSA-N	-1	0	261.252	1.928	40	0		CDABRM
O=C([O-])CNC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1F	ZINC000225456797	374433946	/nfs/dbraw/zinc/43/39/46/374433946.db2.gz	RPQXTRWDRLOWAS-RKDXNWHRSA-N	-1	0	255.220	1.269	40	0		CDABRM
CC[C@H](C)[C@H](NC(=O)[C@@H](C)c1cccnc1)C(=O)[O-]	ZINC000225482534	374493202	/nfs/dbraw/zinc/49/32/02/374493202.db2.gz	VGRBFXQYVHRJJI-NHCYSSNCSA-N	-1	0	264.325	1.801	40	0		CDABRM
Cc1ccc(Cn2nc3c(cc2=O)C[C@H](C(=O)[O-])CC3)cc1	ZINC000217567086	375673170	/nfs/dbraw/zinc/67/31/70/375673170.db2.gz	LHSIOFGBBZPAAO-CYBMUJFWSA-N	-1	0	298.342	1.790	40	0		CDABRM
CC(C)(O)C1=CC[C@@]23CO[C@@H](C2)[C@@](O)(C(=O)[O-])CC[C@@H]13	ZINC000031160196	375752099	/nfs/dbraw/zinc/75/20/99/375752099.db2.gz	LKOCXGZSSYQSLN-LWWSYDQCSA-N	-1	0	282.336	1.088	40	0	biogenic,in-vitro	CDABRM
COCCN1C(=O)CCc2cc(OCC(=O)[O-])ccc21	ZINC000218785667	375895607	/nfs/dbraw/zinc/89/56/07/375895607.db2.gz	DATBVUXOHSSWEB-UHFFFAOYSA-N	-1	0	279.292	1.076	40	0		CDABRM
O=C([O-])[C@H]1COC2(CCCCC2)N1C(=O)c1cccnc1	ZINC000071979770	304199004	/nfs/dbraw/zinc/19/90/04/304199004.db2.gz	XRVUHARVJXPUMM-GFCCVEGCSA-N	-1	0	290.319	1.668	40	0		CDABRM
O=C([O-])[C@H]1[C@H]2C=C[C@]3(CN(c4ccccc4)C(=O)[C@@H]13)O2	ZINC000003882480	304211859	/nfs/dbraw/zinc/21/18/59/304211859.db2.gz	JBIMAHPIXSSPOO-NWJSVONSSA-N	-1	0	271.272	1.058	40	0		CDABRM
O=C([O-])c1ccc(CN2CCOC[C@@H]2c2cc[nH]n2)cc1	ZINC000257209795	304242069	/nfs/dbraw/zinc/24/20/69/304242069.db2.gz	BRXLBYRPZSOVCQ-CQSZACIVSA-N	-1	0	287.319	1.681	40	0		CDABRM
CCS(=O)(=O)C1(c2nc(C)c(C(=O)[O-])s2)CC1	ZINC000096531935	390541979	/nfs/dbraw/zinc/54/19/79/390541979.db2.gz	CGUPNNRNUHWWSP-UHFFFAOYSA-N	-1	0	275.351	1.574	40	0		CDABRM
CC(C)(C)c1ccc(C(=O)NC(=S)NCC(=O)[O-])cc1	ZINC000226354593	390924005	/nfs/dbraw/zinc/92/40/05/390924005.db2.gz	KCHQYAMNOXLOPM-UHFFFAOYSA-N	-1	0	294.376	1.673	40	0		CDABRM
CCOc1ccc(-n2c(=O)c(C(=O)[O-])c[nH]c2=S)cc1	ZINC000020156305	391349375	/nfs/dbraw/zinc/34/93/75/391349375.db2.gz	HOMPDSITZHCUME-UHFFFAOYSA-N	-1	0	292.316	1.992	40	0		CDABRM
COC[C@@]1(C(=O)[O-])[C@@H](c2ccc(C)cc2)[C@@H]1S(C)(=O)=O	ZINC000218372508	130768344	/nfs/dbraw/zinc/76/83/44/130768344.db2.gz	JMQCFGHSOQXXMD-SGMGOOAPSA-N	-1	0	298.360	1.223	40	0		CDABRM
Cc1ccc([C@@H]2[C@@H](C(=O)[O-])[C@H]2S(C)(=O)=O)cc1	ZINC000252516423	392798227	/nfs/dbraw/zinc/79/82/27/392798227.db2.gz	SKRNMGRKTHUUCP-MXWKQRLJSA-N	-1	0	254.307	1.206	40	0		CDABRM
CC(C)[C@@H]([NH2+]Cc1ccc(OCC(=O)[O-])cc1)C(=O)[O-]	ZINC000062716882	392802593	/nfs/dbraw/zinc/80/25/93/392802593.db2.gz	DVNCQTURPMDJDV-CYBMUJFWSA-N	-1	0	281.308	1.349	40	0		CDABRM
CSc1nccc(N2CCC[C@H](C(=O)[O-])C2)n1	ZINC000072203490	134982792	/nfs/dbraw/zinc/98/27/92/134982792.db2.gz	HLPZXYBRXYJGJV-QMMMGPOBSA-N	-1	0	253.327	1.500	40	0		CDABRM
COc1cc2nc(SC)n(CC(=O)[O-])c2cc1OC	ZINC000005335154	170087023	/nfs/dbraw/zinc/08/70/23/170087023.db2.gz	WKACWQHNSCSXRU-UHFFFAOYSA-N	-1	0	282.321	1.860	40	0		CDABRM
O=C([O-])CCSC1=N[C@H]2C=Cc3nsnc3[C@H]2N1	ZINC000006293059	170188944	/nfs/dbraw/zinc/18/89/44/170188944.db2.gz	NPQJYIZOWBZODL-XNCJUZBTSA-N	-1	0	282.350	1.142	40	0		CDABRM
C[C@H]1CC(=O)N=C(S[C@H](C(=O)[O-])c2ccccc2)N1	ZINC000008298138	170329552	/nfs/dbraw/zinc/32/95/52/170329552.db2.gz	SEODJMCFNJPFCL-KWQFWETISA-N	-1	0	278.333	1.810	40	0		CDABRM
CCOC(=O)CNc1ccc(-c2nc(=O)o[n-]2)cc1	ZINC000040435384	174261761	/nfs/dbraw/zinc/26/17/61/174261761.db2.gz	GYBZRTOVADJERG-UHFFFAOYSA-N	-1	0	263.253	1.005	40	0		CDABRM
O=C([O-])/C=C/c1cccn1S(=O)(=O)c1ccccc1	ZINC000044201236	175153672	/nfs/dbraw/zinc/15/36/72/175153672.db2.gz	HLBXYPDKFLRBLK-CMDGGOBGSA-N	-1	0	277.301	1.823	40	0		CDABRM
CCOC(=O)C1=NN(c2ccccc2Cl)[C@H](C(=O)[O-])C1	ZINC000071979237	176307616	/nfs/dbraw/zinc/30/76/16/176307616.db2.gz	ZJVWMIYLOIFWTK-NSHDSACASA-N	-1	0	296.710	1.922	40	0		CDABRM
O=C([N-]O[C@H]1CCCCO1)c1n[nH]c(=O)c2ccccc21	ZINC000072059989	176311626	/nfs/dbraw/zinc/31/16/26/176311626.db2.gz	NIWSFZNWNMHCHD-NSHDSACASA-N	-1	0	289.291	1.111	40	0		CDABRM
OCCN1CCC[C@H]1c1csc([N-]c2ncccn2)n1	ZINC000072384607	176388627	/nfs/dbraw/zinc/38/86/27/176388627.db2.gz	LFHHMXCPDPQVGH-NSHDSACASA-N	-1	0	291.380	1.806	40	0		CDABRM
CC(=O)N1CCC[C@@H](Cc2cncc(C(=O)[O-])c2)C1	ZINC000072344051	278005526	/nfs/dbraw/zinc/00/55/26/278005526.db2.gz	KGXRBEYBLOFYCT-NSHDSACASA-N	-1	0	262.309	1.581	40	0		CDABRM
CC1(C)[C@H](C(=O)NCCCO)CC[C@@]1(C)C(=O)[O-]	ZINC000006829021	281464825	/nfs/dbraw/zinc/46/48/25/281464825.db2.gz	RSYGNBOPCPSFKR-ZANVPECISA-N	-1	0	257.330	1.012	40	0		CDABRM
O=C([O-])[C@H](c1ccc(F)cc1)N1CCS(=O)CC1	ZINC000572048233	294548346	/nfs/dbraw/zinc/54/83/46/294548346.db2.gz	IVHXLDWKOSUUDT-NSHDSACASA-N	-1	0	271.313	1.016	40	0		CDABRM
Cc1n[nH]c(C)c1[N-]S(=O)(=O)c1ccccc1	ZINC000035149352	302483403	/nfs/dbraw/zinc/48/34/03/302483403.db2.gz	KXMSWGHJFZIURM-UHFFFAOYSA-N	-1	0	251.311	1.827	40	0		CDABRM
CCCn1cc(Br)c(-c2n[n-]c(=N)s2)n1	ZINC000408717774	327772616	/nfs/dbraw/zinc/77/26/16/327772616.db2.gz	TXTKCZZWSMJDGN-UHFFFAOYSA-N	-1	0	288.174	1.987	40	0		CDABRM
O=C([O-])[C@H]1CS[C@H](Cc2ccc(F)cc2F)C(=O)N1	ZINC000062712316	526333053	/nfs/dbraw/zinc/33/30/53/526333053.db2.gz	VFNNZEFSYFJOHX-NXEZZACHSA-N	-1	0	287.287	1.192	40	0		CDABRM
COC[C@@](C)(CC(=O)[O-])NC(=O)[C@@H]1CC=CCC1	ZINC000237192870	601290759	/nfs/dbraw/zinc/29/07/59/601290759.db2.gz	MPRVIFDSOPKWLF-ZWNOBZJWSA-N	-1	0	255.314	1.339	40	0		CDABRM
Cn1cccc1C(=O)N[C@@H](CC(=O)[O-])C(F)(F)F	ZINC000829371246	926272088	/nfs/dbraw/zinc/27/20/88/926272088.db2.gz	NJFCZMMAKZQZJZ-ZETCQYMHSA-N	-1	0	264.203	1.161	40	0		CDABRM
CC1(C(=O)NCc2ccc(C(=O)[O-])s2)CCOCC1	ZINC000643429592	539067957	/nfs/dbraw/zinc/06/79/57/539067957.db2.gz	LVOXMSCNXYIQIM-UHFFFAOYSA-N	-1	0	283.349	1.879	40	0		CDABRM
O=C([O-])[C@@H]1C[C@H](C(=O)[O-])[C@@H](c2ccc(Cl)cc2)[NH2+]1	ZINC000016082724	346071859	/nfs/dbraw/zinc/07/18/59/346071859.db2.gz	MMUGORBTGPYPOV-LPEHRKFASA-N	-1	0	269.684	1.528	40	0		CDABRM
C[C@@H]1C[C@@H](C)CN(c2nsnc2OCC(=O)[O-])C1	ZINC000085394199	179049183	/nfs/dbraw/zinc/04/91/83/179049183.db2.gz	JOHLFVXBNFSJBL-HTQZYQBOSA-N	-1	0	271.342	1.484	40	0		CDABRM
CCCCC[C@@H](C)NC(=O)[C@H]1[C@@H](C(=O)[O-])[C@H]2C=C[C@@H]1O2	ZINC000225675089	282691157	/nfs/dbraw/zinc/69/11/57/282691157.db2.gz	QQPSTRPSJRTBSS-MLGHIDQZSA-N	-1	0	281.352	1.726	40	0		CDABRM
O=C([O-])[C@@H]1CC[C@@H](c2nc3cnccc3c(=O)[nH]2)S1	ZINC000256053015	350909367	/nfs/dbraw/zinc/90/93/67/350909367.db2.gz	PQXQDAKKDYHYJN-IUCAKERBSA-N	-1	0	277.305	1.752	40	0		CDABRM
O=C([O-])c1occc1CNC(=O)c1cc(C2CC2)on1	ZINC000659198698	412582266	/nfs/dbraw/zinc/58/22/66/412582266.db2.gz	HQWQAWFJKQFVKQ-UHFFFAOYSA-N	-1	0	276.248	1.773	40	0		CDABRM
Cc1cc(C)cc(C(=O)NCC2(C(=O)[O-])CCOCC2)c1	ZINC000165914156	188633924	/nfs/dbraw/zinc/63/39/24/188633924.db2.gz	KTYNJCQFYUOYBJ-UHFFFAOYSA-N	-1	0	291.347	1.915	40	0		CDABRM
CCOC(=O)c1c(C)c(C(=O)OCC)n(C)c1C(=O)[O-]	ZINC000001593373	355940823	/nfs/dbraw/zinc/94/08/23/355940823.db2.gz	WNFIYVGMYNHTAP-UHFFFAOYSA-N	-1	0	283.280	1.385	40	0		CDABRM
CS(=O)(=O)Nc1ccc2[nH]c(C(=O)[O-])cc2c1	ZINC000001420700	355936299	/nfs/dbraw/zinc/93/62/99/355936299.db2.gz	AHXMYKDPQPQFMW-UHFFFAOYSA-N	-1	0	254.267	1.238	40	0		CDABRM
O=C([O-])c1ccc(CNC(=O)c2[nH]ncc2Cl)cc1	ZINC000002764417	355981484	/nfs/dbraw/zinc/98/14/84/355981484.db2.gz	DKANXXCQGLZCFA-UHFFFAOYSA-N	-1	0	279.683	1.691	40	0		CDABRM
CC(C)NC(=S)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000005633251	356057623	/nfs/dbraw/zinc/05/76/23/356057623.db2.gz	GXHNIWCOJAAEPJ-NSHDSACASA-N	-1	0	266.366	1.555	40	0		CDABRM
Cc1nc2ccccc2nc1-c1n[n-]c(=NN)s1	ZINC000016265681	356434627	/nfs/dbraw/zinc/43/46/27/356434627.db2.gz	SFYIKPDNIAEKKQ-UHFFFAOYSA-N	-1	0	258.310	1.742	40	0		CDABRM
O=C([O-])[C@H](Cc1cccc(Cl)c1)N1CCOCC1	ZINC000041390620	357034127	/nfs/dbraw/zinc/03/41/27/357034127.db2.gz	HHCNUJLJHDHQJX-LBPRGKRZSA-N	-1	0	269.728	1.668	40	0		CDABRM
Cc1cc(N2CCC[C@@H](C(=O)[O-])C2)nc(C2CC2)n1	ZINC000096516938	357522208	/nfs/dbraw/zinc/52/22/08/357522208.db2.gz	KNRUJCYINFCDIT-LLVKDONJSA-N	-1	0	261.325	1.963	40	0		CDABRM
O=c1cc(-c2cc[nH]n2)nc2cc(-c3ccccn3)[n-]n21	ZINC000100231137	358823336	/nfs/dbraw/zinc/82/33/36/358823336.db2.gz	QXXJYGKPKMUOOT-UHFFFAOYSA-N	-1	0	278.275	1.887	40	0		CDABRM
Cc1cc(N2CCC[C@@H](C(=O)[O-])C2)nc(Cl)n1	ZINC000072203368	359049575	/nfs/dbraw/zinc/04/95/75/359049575.db2.gz	YCKCEDKNXCGKGK-MRVPVSSYSA-N	-1	0	255.705	1.739	40	0		CDABRM
Cc1cnc([N-]S(=O)(=O)c2cnn(C)c2C)s1	ZINC000028577664	359586226	/nfs/dbraw/zinc/58/62/26/359586226.db2.gz	UUIGBNVMFMMPIJ-UHFFFAOYSA-N	-1	0	272.355	1.294	40	0		CDABRM
CCCCC[C@H](C)NC(=O)[C@@H]1[C@@H](C(=O)[O-])[C@H]2C=C[C@@H]1O2	ZINC000225675151	359607520	/nfs/dbraw/zinc/60/75/20/359607520.db2.gz	QQPSTRPSJRTBSS-WJTVCTBASA-N	-1	0	281.352	1.726	40	0		CDABRM
C[C@@]12C=C[C@@H](O1)[C@@H](C(=O)[O-])[C@@H]2C(=O)Nc1ccc(F)cc1	ZINC000409378478	364073828	/nfs/dbraw/zinc/07/38/28/364073828.db2.gz	PWSFMDWDJYMDGR-BLTAXRJOSA-N	-1	0	291.278	1.809	40	0		CDABRM
COc1cc(CCCC(=O)[O-])cc(OC)c1C=O	ZINC000217675495	189711315	/nfs/dbraw/zinc/71/13/15/189711315.db2.gz	IYBBBWXEONPRCZ-UHFFFAOYSA-N	-1	0	252.266	1.924	40	0		CDABRM
Cc1cc(S(=O)(=O)C(C)C)ccc1OCC(=O)[O-]	ZINC000218303300	365418375	/nfs/dbraw/zinc/41/83/75/365418375.db2.gz	HPXZSECZQCKDOT-UHFFFAOYSA-N	-1	0	272.322	1.641	40	0		CDABRM
CC(=O)Oc1ccc(/C=C\C(=O)[O-])cc1OC(C)=O	ZINC000017004616	367005578	/nfs/dbraw/zinc/00/55/78/367005578.db2.gz	ZDIYGBWFISUTHI-XQRVVYSFSA-N	-1	0	264.233	1.635	40	0		CDABRM
O=C([O-])[C@@]12C[C@@H]1C(=O)c1cc(Br)ccc1O2	ZINC000085392668	304169414	/nfs/dbraw/zinc/16/94/14/304169414.db2.gz	VLFFQHDNHMCSMJ-RDDDGLTNSA-N	-1	0	283.077	1.868	40	0		CDABRM
O=c1[nH]c2ccc(S(=O)(=O)[N-]c3nccs3)cc2o1	ZINC000027757086	373896055	/nfs/dbraw/zinc/89/60/55/373896055.db2.gz	MDMXFNLVLZPQRL-UHFFFAOYSA-N	-1	0	297.317	1.378	40	0		CDABRM
O=c1[n-]c(C(F)(F)F)nc2nc(Br)cnc12	ZINC000225733708	375193250	/nfs/dbraw/zinc/19/32/50/375193250.db2.gz	PWNFCLPIQRBSPN-UHFFFAOYSA-N	-1	0	295.018	1.494	40	0		CDABRM
Cc1ccc(C)c(COn2cccc(C(=O)[O-])c2=O)c1	ZINC000041670665	377688826	/nfs/dbraw/zinc/68/88/26/377688826.db2.gz	YESMWGNNCMGHEY-UHFFFAOYSA-N	-1	0	273.288	1.792	40	0		CDABRM
O=C([O-])c1ccc(O)cc1I	ZINC000034407300	304248889	/nfs/dbraw/zinc/24/88/89/304248889.db2.gz	QUHAEKSMWKKPOS-UHFFFAOYSA-N	-1	0	264.018	1.695	40	0		CDABRM
O=C([O-])c1ccnc(S(=O)(=O)c2ccccc2)c1	ZINC000096517213	390531993	/nfs/dbraw/zinc/53/19/93/390531993.db2.gz	GIIMJYBFCGLKIQ-UHFFFAOYSA-N	-1	0	263.274	1.613	40	0		CDABRM
CCS(=O)(=O)C(CO)=C([O-])c1ccc(Cl)cc1	ZINC000096518800	390535515	/nfs/dbraw/zinc/53/55/15/390535515.db2.gz	RDSILXWPXYUAIQ-JTQLQIEISA-N	-1	0	276.741	1.318	40	0		CDABRM
O=C([O-])Cn1cnc(-c2cc(F)cc(F)c2)cc1=O	ZINC000096530989	390541040	/nfs/dbraw/zinc/54/10/40/390541040.db2.gz	YDGLJQDBHFJEEY-UHFFFAOYSA-N	-1	0	266.203	1.273	40	0		CDABRM
Cc1cc(C(=O)[N-]S(=O)(=O)C[C@@H]2CCCCO2)co1	ZINC000187379675	392123190	/nfs/dbraw/zinc/12/31/90/392123190.db2.gz	PVEXFPKNUQKXGD-NSHDSACASA-N	-1	0	287.337	1.217	40	0		CDABRM
Cc1ccsc1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	ZINC000262478993	149068027	/nfs/dbraw/zinc/06/80/27/149068027.db2.gz	VKSOKXZQOVXLCO-VIFPVBQESA-N	-1	0	289.378	1.542	40	0		CDABRM
O=C([O-])[C@@H]1[C@@H](C(=O)Nc2ccc(F)cc2F)[C@H]2CC[C@@H]1O2	ZINC000006699102	170228133	/nfs/dbraw/zinc/22/81/33/170228133.db2.gz	ZMOCZOVQVFHKJC-RHYQMDGZSA-N	-1	0	297.257	1.782	40	0		CDABRM
CCOC(=O)c1oc2nc(SC)ncc2c1[O-]	ZINC000021299781	171300682	/nfs/dbraw/zinc/30/06/82/171300682.db2.gz	NACWWBGUVMPIIA-UHFFFAOYSA-N	-1	0	254.267	1.827	40	0		CDABRM
CCC[C@@H](C)Nc1ccc(S(N)(=O)=O)cc1C(=O)[O-]	ZINC000037309246	173111753	/nfs/dbraw/zinc/11/17/53/173111753.db2.gz	CNELEPQSULXVLF-MRVPVSSYSA-N	-1	0	286.353	1.633	40	0		CDABRM
COc1ccc([C@@H]2[C@@H](C(=O)[O-])CC(=O)N2C2CC2)cc1	ZINC000045922850	175386871	/nfs/dbraw/zinc/38/68/71/175386871.db2.gz	IKVZZFZSCXRLKT-GXTWGEPZSA-N	-1	0	275.304	1.832	40	0		CDABRM
O=C([O-])CCc1cccc([C@@H]2CCC[N@H+](CC(=O)[O-])C2)n1	ZINC000072366989	176381564	/nfs/dbraw/zinc/38/15/64/176381564.db2.gz	PQUNFVQMRKUJFH-LLVKDONJSA-N	-1	0	292.335	1.363	40	0		CDABRM
CC(=O)N1CCC[C@H]1c1nccnc1CCC(=O)[O-]	ZINC000257342091	278030855	/nfs/dbraw/zinc/03/08/55/278030855.db2.gz	ZNBJMADITZLDOQ-NSHDSACASA-N	-1	0	263.297	1.177	40	0		CDABRM
Cc1cc(=NC(=O)N2CCCC3(CC3)C2)[n-]nc1C	ZINC000336417764	301043212	/nfs/dbraw/zinc/04/32/12/301043212.db2.gz	UYLGZCPDTZDMDA-UHFFFAOYSA-N	-1	0	260.341	1.923	40	0		CDABRM
NC(=O)SCC(=O)Nc1ccccc1C(=O)[O-]	ZINC000001729549	303288910	/nfs/dbraw/zinc/28/89/10/303288910.db2.gz	NWUAPELPCMQTDN-UHFFFAOYSA-N	-1	0	254.267	1.135	40	0	in-vitro	CDABRM
O=C([O-])c1ccnn(CCOc2ccccc2)c1=O	ZINC000225790996	333182436	/nfs/dbraw/zinc/18/24/36/333182436.db2.gz	SIEUHFRPBMLXKX-UHFFFAOYSA-N	-1	0	260.249	1.021	40	0		CDABRM
O=C([O-])C[C@@H]1CCCCN1C(=O)Cc1cscn1	ZINC000257737021	482750437	/nfs/dbraw/zinc/75/04/37/482750437.db2.gz	XHTDJMNXYGJENX-JTQLQIEISA-N	-1	0	268.338	1.541	40	0		CDABRM
O=C(C[C@@H]1CCCCO1)N[C@H]1CCC[C@H]1C(=O)[O-]	ZINC000227859896	527112698	/nfs/dbraw/zinc/11/26/98/527112698.db2.gz	RJWIEHUWAKVADR-AXFHLTTASA-N	-1	0	255.314	1.315	40	0		CDABRM
CCCS(=O)(=O)c1cc(CCC(=O)[O-])ccc1OC	ZINC000218301740	535307305	/nfs/dbraw/zinc/30/73/05/535307305.db2.gz	RHVSCTVHNBFZMX-UHFFFAOYSA-N	-1	0	286.349	1.896	40	0		CDABRM
O=C([O-])CCc1cnc(-c2cccc(F)c2)[nH]c1=O	ZINC000216634443	398205898	/nfs/dbraw/zinc/20/58/98/398205898.db2.gz	QJZZFCNWDIZFNK-UHFFFAOYSA-N	-1	0	262.240	1.593	40	0		CDABRM
COC(=O)c1ccccc1NC=C1SC([O-])=NC1=O	ZINC000584906227	342111837	/nfs/dbraw/zinc/11/18/37/342111837.db2.gz	HGRJZRGLXIKZRB-TWGQIWQCSA-N	-1	0	278.289	1.710	40	0		CDABRM
COc1cccc(OCC2(C(=O)[O-])CCOCC2)c1	ZINC000085390576	179048023	/nfs/dbraw/zinc/04/80/23/179048023.db2.gz	CXOLTNNEQDTEIK-UHFFFAOYSA-N	-1	0	266.293	1.955	40	0		CDABRM
COc1cccc([C@@H]2OC(=O)C[C@H]2C(=O)[O-])c1OC	ZINC000085394078	179048641	/nfs/dbraw/zinc/04/86/41/179048641.db2.gz	YETPCHIJGJYLFH-KCJUWKMLSA-N	-1	0	266.249	1.393	40	0		CDABRM
Cc1cccc([C@H](NS(=O)(=O)CC2CCC2)C(=O)[O-])c1	ZINC000275149825	365941102	/nfs/dbraw/zinc/94/11/02/365941102.db2.gz	YJKJPTDOQTXZKB-ZDUSSCGKSA-N	-1	0	297.376	1.840	40	0		CDABRM
O=C([O-])[C@H]1[C@@H]2C=C[C@@H](O2)[C@H]1C(=O)Nc1ccccc1	ZINC000003851279	363181328	/nfs/dbraw/zinc/18/13/28/363181328.db2.gz	JUSVTXVHDCYHIJ-KXNHARMFSA-N	-1	0	259.261	1.279	40	0	in-vitro	CDABRM
O=C([O-])[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)NCc1ccc(F)cc1	ZINC000195535182	363455961	/nfs/dbraw/zinc/45/59/61/363455961.db2.gz	FZOLVYIGAPVLEQ-UZGDPCLZSA-N	-1	0	289.306	1.965	40	0		CDABRM
CC(=O)N[C@H](C(=O)[O-])[C@@H](C)SCc1ccccc1	ZINC000001868660	355953627	/nfs/dbraw/zinc/95/36/27/355953627.db2.gz	XXPFZRAVDWYRES-SKDRFNHKSA-N	-1	0	267.350	1.898	40	0		CDABRM
CC(C)(C)OC(=O)N[C@H](C(=O)[O-])[C@H](O)c1ccccc1F	ZINC000004299307	356026549	/nfs/dbraw/zinc/02/65/49/356026549.db2.gz	MPJWTNGRJODCGK-WDEREUQCSA-N	-1	0	299.298	1.837	40	0		CDABRM
CS(=O)(=O)c1cc(Cl)ccc1CCC(=O)[O-]	ZINC000228969276	358103852	/nfs/dbraw/zinc/10/38/52/358103852.db2.gz	WSODOKJLYXTWPT-UHFFFAOYSA-N	-1	0	262.714	1.761	40	0		CDABRM
CCCNS(=O)(=O)c1cc(C(=O)[O-])ccc1NC1CC1	ZINC000217412677	359000429	/nfs/dbraw/zinc/00/04/29/359000429.db2.gz	OUFNUZNBLGTSHK-UHFFFAOYSA-N	-1	0	298.364	1.647	40	0		CDABRM
CCCNc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)[O-]	ZINC000217570720	359010697	/nfs/dbraw/zinc/01/06/97/359010697.db2.gz	FGAFKWYYWXFVOO-UHFFFAOYSA-N	-1	0	298.364	1.647	40	0		CDABRM
CCCS(=O)(=O)Nc1ccc(C(=O)[O-])c(O)c1	ZINC000011736409	360261861	/nfs/dbraw/zinc/26/18/61/360261861.db2.gz	DJBXMEMMIUNNFL-UHFFFAOYSA-N	-1	0	259.283	1.242	40	0		CDABRM
CN1C(=S)S[C@@H](Cc2ccccc2C(=O)[O-])[C@H]1O	ZINC000225392488	360579700	/nfs/dbraw/zinc/57/97/00/360579700.db2.gz	ILEONQHFMCXRTP-VHSXEESVSA-N	-1	0	283.374	1.578	40	0		CDABRM
CC(C)(C)OC(=O)N1CC(n2cc(C(=O)[O-])cn2)C1	ZINC000238176059	361554804	/nfs/dbraw/zinc/55/48/04/361554804.db2.gz	MGBJBWMUELTVIN-UHFFFAOYSA-N	-1	0	267.285	1.373	40	0		CDABRM
NC(=O)CSc1nnc(-c2ccccc2O)o1	ZINC000000411883	361715482	/nfs/dbraw/zinc/71/54/82/361715482.db2.gz	MUUHTMWRUJESBS-UHFFFAOYSA-N	-1	0	251.267	1.020	40	0		CDABRM
C[C@@]12C=C[C@@H](O1)[C@@H](C(=O)[O-])[C@@H]2C(=O)Nc1cccnc1	ZINC000409376258	364060807	/nfs/dbraw/zinc/06/08/07/364060807.db2.gz	WLQMLBIUPVZETO-BIAAXOCRSA-N	-1	0	274.276	1.064	40	0		CDABRM
C[C@@]12C=C[C@@H](O1)[C@H](C(=O)[O-])[C@@H]2C(=O)Nc1ccccc1	ZINC000409371595	364065781	/nfs/dbraw/zinc/06/57/81/364065781.db2.gz	XJIWILQNDOZHFN-ZAZJYDDPSA-N	-1	0	273.288	1.669	40	0		CDABRM
Cc1nc2n(n1)[C@@H](c1cccc(F)c1)CC(C(=O)[O-])=N2	ZINC000102278286	364568897	/nfs/dbraw/zinc/56/88/97/364568897.db2.gz	IBOLFJBAMKWNCZ-LLVKDONJSA-N	-1	0	274.255	1.709	40	0		CDABRM
O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@@H]1C(=O)NCc1ccoc1	ZINC000004009175	364791089	/nfs/dbraw/zinc/79/10/89/364791089.db2.gz	SGWSACQEQBEJCG-RHYQMDGZSA-N	-1	0	261.277	1.419	40	0		CDABRM
CC(C)C[C@@H](NC(=O)CNC(=O)c1cccs1)C(=O)[O-]	ZINC000005633112	364841289	/nfs/dbraw/zinc/84/12/89/364841289.db2.gz	ZDVRATGWTXGTKF-SECBINFHSA-N	-1	0	298.364	1.093	40	0		CDABRM
CC(C)[C@H](NC(=O)c1cccc(Cl)n1)C(=O)[O-]	ZINC000051067681	364998399	/nfs/dbraw/zinc/99/83/99/364998399.db2.gz	VQVQUERECAAVOX-VIFPVBQESA-N	-1	0	256.689	1.574	40	0		CDABRM
O=C([O-])COc1ccc(NC(=O)c2cnco2)cc1	ZINC000217689680	189711545	/nfs/dbraw/zinc/71/15/45/189711545.db2.gz	OCENXOWJQSAAMO-UHFFFAOYSA-N	-1	0	262.221	1.390	40	0		CDABRM
Cc1ccc(NC(=O)[C@@H]2[C@@H](C(=O)[O-])[C@H]3C=C[C@@H]2O3)cc1C	ZINC000169304154	365037715	/nfs/dbraw/zinc/03/77/15/365037715.db2.gz	FTYPOSAFKRXDOQ-CRWXNKLISA-N	-1	0	287.315	1.896	40	0		CDABRM
CC(C)O[C@H]1C(=O)N(Cc2ccccc2)[C@H]1C(=O)[O-]	ZINC000218279327	365236805	/nfs/dbraw/zinc/23/68/05/365236805.db2.gz	UYLCZECCMKNUSM-VXGBXAGGSA-N	-1	0	263.293	1.276	40	0		CDABRM
Cn1c(=O)c2ccccc2nc1SCC(=O)[O-]	ZINC000000257082	367042769	/nfs/dbraw/zinc/04/27/69/367042769.db2.gz	BMSNATKBEGYZIC-UHFFFAOYSA-N	-1	0	250.279	1.110	40	0		CDABRM
Cc1nc(C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])co1	ZINC000226106877	189769542	/nfs/dbraw/zinc/76/95/42/189769542.db2.gz	AOMKGGOTPVZIMF-NSHDSACASA-N	-1	0	274.276	1.409	40	0		CDABRM
O=C([O-])[C@H]1[C@@H](C(=O)NCC2CCCCC2)[C@H]2C=C[C@@H]1O2	ZINC000225791093	189764943	/nfs/dbraw/zinc/76/49/43/189764943.db2.gz	UWOWKGPJBKLTCL-MROQNXINSA-N	-1	0	279.336	1.337	40	0		CDABRM
COc1ccc(O)c(C(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C)c1	ZINC000263488735	370553599	/nfs/dbraw/zinc/55/35/99/370553599.db2.gz	IANYQNAREAYVLV-NXEZZACHSA-N	-1	0	293.319	1.726	40	0		CDABRM
Cn1nc(NCc2ccc(F)s2)cc1C(=O)[O-]	ZINC000256050459	190002848	/nfs/dbraw/zinc/00/28/48/190002848.db2.gz	FBTXWAWEXJBWDS-UHFFFAOYSA-N	-1	0	255.274	1.931	40	0		CDABRM
COc1nn(C)cc1NCc1ccccc1C(=O)[O-]	ZINC000256053086	190004589	/nfs/dbraw/zinc/00/45/89/190004589.db2.gz	PXNRJSPCAGKEBZ-UHFFFAOYSA-N	-1	0	261.281	1.739	40	0		CDABRM
CC(C)(C)OC(=O)N1[C@@H](C(=O)[O-])COCC1(C)C	ZINC000217465927	375650235	/nfs/dbraw/zinc/65/02/35/375650235.db2.gz	WFYMRFYVQIWKOD-MRVPVSSYSA-N	-1	0	259.302	1.486	40	0		CDABRM
O=C([O-])c1cccn(OCc2ccc(F)cc2)c1=O	ZINC000041670713	377689655	/nfs/dbraw/zinc/68/96/55/377689655.db2.gz	YAVYANWMIGRPQD-UHFFFAOYSA-N	-1	0	263.224	1.314	40	0		CDABRM
Cc1nn(C)cc1[C@H](C)NC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-]	ZINC000002809677	378056721	/nfs/dbraw/zinc/05/67/21/378056721.db2.gz	DQTGBGFJIIYTMY-WCQGTBRESA-N	-1	0	293.367	1.797	40	0		CDABRM
COC(=O)C1=C([O-])c2ccccc2C[C@@H]1C(=O)OC	ZINC000003847796	390150010	/nfs/dbraw/zinc/15/00/10/390150010.db2.gz	AOITZMIHIOPQMD-QWRGUYRKSA-N	-1	0	262.261	1.004	40	0		CDABRM
Cc1n[nH]c(C)c1CCC(=O)N1CCC[C@@H](C(=O)[O-])C1	ZINC000096517443	390532667	/nfs/dbraw/zinc/53/26/67/390532667.db2.gz	YCCRGZCZPQFROK-LLVKDONJSA-N	-1	0	279.340	1.282	40	0		CDABRM
CC(C)c1ccc(C(=O)NC(=S)NCC(=O)[O-])cc1	ZINC000226354598	390923956	/nfs/dbraw/zinc/92/39/56/390923956.db2.gz	IVRGDAISTOKSQS-UHFFFAOYSA-N	-1	0	280.349	1.499	40	0		CDABRM
O=C([O-])c1cnn(Cn2cc(Br)cn2)c1	ZINC000062701699	390998098	/nfs/dbraw/zinc/99/80/98/390998098.db2.gz	RIUZHQFMPBJSNM-UHFFFAOYSA-N	-1	0	271.074	1.046	40	0		CDABRM
O=C([O-])CCc1nnc(COc2ccc(F)cc2F)o1	ZINC000032129672	391097565	/nfs/dbraw/zinc/09/75/65/391097565.db2.gz	QLUDZSYQOMTPTK-UHFFFAOYSA-N	-1	0	284.218	1.944	40	0		CDABRM
CS(=O)(=O)[C@@H]1[C@H](C(=O)[O-])[C@H]1c1cccc(Cl)c1	ZINC000242574971	391942617	/nfs/dbraw/zinc/94/26/17/391942617.db2.gz	NMSBOUCCONIQTC-BBBLOLIVSA-N	-1	0	274.725	1.551	40	0		CDABRM
N=C1NC(=O)/C(=C/c2ccccc2OCC(=O)[O-])S1	ZINC000005027405	170057738	/nfs/dbraw/zinc/05/77/38/170057738.db2.gz	XXUSMVFDMPUXAG-UITAMQMPSA-N	-1	0	278.289	1.289	40	0		CDABRM
Cc1ccc(NC(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)[O-])cc1F	ZINC000006725945	170232717	/nfs/dbraw/zinc/23/27/17/170232717.db2.gz	TZFORGPZIAVOKJ-XQHKEYJVSA-N	-1	0	293.294	1.951	40	0		CDABRM
CC[C@H](C(=O)[O-])c1ccc(N2C(=O)C=CC2=O)cc1	ZINC000044563774	175207500	/nfs/dbraw/zinc/20/75/00/175207500.db2.gz	JTXKSTIGCAWIEQ-NSHDSACASA-N	-1	0	259.261	1.694	40	0		CDABRM
COc1cc2c(O)c(C(=O)[O-])nnc2cc1Cl	ZINC000225744376	295029108	/nfs/dbraw/zinc/02/91/08/295029108.db2.gz	PFVLRMNBSOHJEX-UHFFFAOYSA-N	-1	0	254.629	1.696	40	0		CDABRM
CCn1cc(Br)c(-c2n[n-]c(=N)s2)n1	ZINC000408717788	327772677	/nfs/dbraw/zinc/77/26/77/327772677.db2.gz	UKNHNMCAOFMUIE-UHFFFAOYSA-N	-1	0	274.147	1.597	40	0		CDABRM
CC(C)(C)c1cc(N2CCC[C@@H]2CO)nc(C(=O)[O-])n1	ZINC000563538387	316327834	/nfs/dbraw/zinc/32/78/34/316327834.db2.gz	ZSVDMLFZYLVCOM-SECBINFHSA-N	-1	0	279.340	1.433	40	0		CDABRM
O=C([O-])c1ccc(N(CCO)CC2CCCCC2)nn1	ZINC000579009638	324083354	/nfs/dbraw/zinc/08/33/54/324083354.db2.gz	CYJTXTYTDKRIOY-UHFFFAOYSA-N	-1	0	279.340	1.554	40	0		CDABRM
Cc1ccc(C[C@H]2SC[C@H](C(=O)[O-])NC2=O)cc1C	ZINC000062712085	524687643	/nfs/dbraw/zinc/68/76/43/524687643.db2.gz	IZZHGKZKQSZYFV-VXGBXAGGSA-N	-1	0	279.361	1.531	40	0		CDABRM
O=C([O-])[C@H]1CS[C@@H](Cc2ccc(F)c(F)c2)C(=O)N1	ZINC000062712330	526333323	/nfs/dbraw/zinc/33/33/23/526333323.db2.gz	LQKHGTVMZZNSIK-ZJUUUORDSA-N	-1	0	287.287	1.192	40	0		CDABRM
C/C=C/[C@H](O)[C@H]1OC(=O)C[C@@H]1Nc1ccc(C(=O)[O-])cc1	ZINC000225271378	677861505	/nfs/dbraw/zinc/86/15/05/677861505.db2.gz	BYCOQXVBFQHWPL-DLZRUHAPSA-N	-1	0	291.303	1.418	40	0	biogenic,in-vitro	CDABRM
CC(C)(C)OC(=O)[C@](N)(CC(=O)[O-])c1cccc(F)c1	ZINC001569989293	1170056302	/nfs/dbraw/zinc/05/63/02/1170056302.db2.gz	JBTYIQFEHJALAB-AWEZNQCLSA-N	-1	0	283.299	1.796	40	0		CDABRM
Cc1nc(C)c(CNC(=O)c2ccc(C(=O)[O-])s2)o1	ZINC000382176272	1187265199	/nfs/dbraw/zinc/26/51/99/1187265199.db2.gz	GTNSBLWUTNZGET-UHFFFAOYSA-N	-1	0	280.305	1.981	40	0		CDABRM
O=S(=O)([O-])c1ccc2c3c(cccc31)S(=O)(=O)O2	ZINC000044712540	398171563	/nfs/dbraw/zinc/17/15/63/398171563.db2.gz	QAEUEWRTNVGJOO-UHFFFAOYSA-N	-1	0	286.286	1.168	40	0		CDABRM
Cc1n[nH]c(SC(=Cc2ccc([N+](=O)[O-])o2)C(=O)[O-])n1	ZINC000008272311	342358948	/nfs/dbraw/zinc/35/89/48/342358948.db2.gz	QSFJYQPFZMUOIC-DAXSKMNVSA-N	-1	0	296.264	1.832	40	0		CDABRM
CCn1ncc(S(=O)(=O)[N-]c2ccccc2OC)c1F	ZINC000253408432	362426842	/nfs/dbraw/zinc/42/68/42/362426842.db2.gz	XXFWSYWZERTOTC-UHFFFAOYSA-N	-1	0	299.327	1.852	40	0		CDABRM
NC(=O)C(C(=O)C(=O)[O-])c1ccnc2ccccc21	ZINC000104056343	185887086	/nfs/dbraw/zinc/88/70/86/185887086.db2.gz	HLQDBOXQGNPZQM-ZHACJKMWSA-N	-1	0	258.233	1.074	40	0		CDABRM
CCCCCNS(=O)(=O)c1cc(C(=O)[O-])ccc1F	ZINC000003021040	355991731	/nfs/dbraw/zinc/99/17/31/355991731.db2.gz	JLOFKNLEGXGMFQ-UHFFFAOYSA-N	-1	0	289.328	1.992	40	0		CDABRM
CC(=O)N[C@@H](C(=O)[O-])[C@@H](C)c1c[nH]c2ccccc21	ZINC000001728132	355949492	/nfs/dbraw/zinc/94/94/92/355949492.db2.gz	BJZSSQKRXOYXCT-ISVAXAHUSA-N	-1	0	260.293	1.861	40	0		CDABRM
O=S(=O)([O-])CCCNc1cc(Cl)ccc1O	ZINC000002512331	355972582	/nfs/dbraw/zinc/97/25/82/355972582.db2.gz	JBVQSLQJLBWHHG-UHFFFAOYSA-N	-1	0	265.718	1.735	40	0		CDABRM
COCCNC(=S)Nc1cc(C(=O)[O-])ccc1O	ZINC000408588860	356007840	/nfs/dbraw/zinc/00/78/40/356007840.db2.gz	ZUPQUEOSFOEBOQ-UHFFFAOYSA-N	-1	0	270.310	1.023	40	0		CDABRM
C[C@H](NC(=O)c1cccc(Br)c1)C(=O)[O-]	ZINC000004201410	356022132	/nfs/dbraw/zinc/02/21/32/356022132.db2.gz	KGZCLKKCXYCFBN-LURJTMIESA-N	-1	0	272.098	1.652	40	0		CDABRM
O=C([O-])C1(CNC(=O)c2cncc(F)c2)CCCCC1	ZINC000165217449	356393609	/nfs/dbraw/zinc/39/36/09/356393609.db2.gz	KPRIPLYKCZUPDU-UHFFFAOYSA-N	-1	0	280.299	1.986	40	0		CDABRM
CC(C)Cn1ccc([C@@H]2CCCN2CC(=O)[O-])n1	ZINC000012398670	356680256	/nfs/dbraw/zinc/68/02/56/356680256.db2.gz	XGQWTRHKRSSERM-LBPRGKRZSA-N	-1	0	251.330	1.761	40	0		CDABRM
COC(=O)CSCCOc1ccccc1C(=O)[O-]	ZINC000036336536	358024873	/nfs/dbraw/zinc/02/48/73/358024873.db2.gz	QNTKFEFHPBIVIZ-UHFFFAOYSA-N	-1	0	270.306	1.670	40	0		CDABRM
CCn1ncc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])c1C	ZINC000036610966	358363951	/nfs/dbraw/zinc/36/39/51/358363951.db2.gz	XJLVUQDJOYMANH-DNIRFERGSA-N	-1	0	289.335	1.673	40	0		CDABRM
CCCOc1ccc(/C=C/C(=O)NCC(=O)[O-])cc1OC	ZINC000033444003	358808365	/nfs/dbraw/zinc/80/83/65/358808365.db2.gz	KFKGVPQZKQSRSE-FNORWQNLSA-N	-1	0	293.319	1.698	40	0		CDABRM
CO[C@@H](C)C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1	ZINC000262029648	359124336	/nfs/dbraw/zinc/12/43/36/359124336.db2.gz	AQMCDZRZBNNMOZ-ZETCQYMHSA-N	-1	0	287.699	1.777	40	0		CDABRM
O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)c1cnn(-c2ccccc2)c1	ZINC000263201063	359243355	/nfs/dbraw/zinc/24/33/55/359243355.db2.gz	JZOBEFRHNWDTHJ-KLPPZKSPSA-N	-1	0	285.303	1.465	40	0		CDABRM
O=C([O-])C[C@H]1CSc2nc3ccccc3n2C1=O	ZINC000022127018	304087315	/nfs/dbraw/zinc/08/73/15/304087315.db2.gz	XUTTWHBFUPJKJQ-ZETCQYMHSA-N	-1	0	262.290	1.873	40	0		CDABRM
O=C([O-])[C@@H](c1ccccc1Cl)N1CCOCC1	ZINC000008699028	304097361	/nfs/dbraw/zinc/09/73/61/304097361.db2.gz	WGXJWBKTYNGJGL-LLVKDONJSA-N	-1	0	255.701	1.798	40	0		CDABRM
Cc1cc(F)ccc1C(=O)N[C@H](C)[C@@H](C)C(=O)[O-]	ZINC000132924488	361299322	/nfs/dbraw/zinc/29/93/22/361299322.db2.gz	BHOYJYIVMHROBH-RKDXNWHRSA-N	-1	0	253.273	1.973	40	0		CDABRM
COCCN1C(=O)C[C@H](C(=O)[O-])[C@@H]1c1ccc(OC)cc1	ZINC000049466739	364011159	/nfs/dbraw/zinc/01/11/59/364011159.db2.gz	SJZOECFDVQEXBI-JSGCOSHPSA-N	-1	0	293.319	1.316	40	0		CDABRM
C[C@@]12C=C[C@@H](O1)[C@@H](C(=O)[O-])[C@@H]2C(=O)Nc1ccccc1F	ZINC000409375800	364060475	/nfs/dbraw/zinc/06/04/75/364060475.db2.gz	PKOYKKYMEDDHEY-BLTAXRJOSA-N	-1	0	291.278	1.809	40	0		CDABRM
CO[C@@H]1C(=O)N(c2cccc(Cl)c2)[C@H]1C(=O)[O-]	ZINC000218277606	365258606	/nfs/dbraw/zinc/25/86/06/365258606.db2.gz	IYXCOHKBEBNXBW-BDAKNGLRSA-N	-1	0	255.657	1.155	40	0		CDABRM
CCOc1cccc(CN2C(=O)CC[C@H]2C(=O)[O-])c1	ZINC000011727231	374461571	/nfs/dbraw/zinc/46/15/71/374461571.db2.gz	PJMPOCFLWLFNGO-LBPRGKRZSA-N	-1	0	263.293	1.661	40	0		CDABRM
O=C([O-])C[C@@H]1NC(=O)N(c2ccc3ccccc3c2)C1=O	ZINC000218711189	375724264	/nfs/dbraw/zinc/72/42/64/375724264.db2.gz	SMKIFYLGTNHOKK-LBPRGKRZSA-N	-1	0	284.271	1.739	40	0		CDABRM
CN(C)c1cc([C@@H]2CCCN2C(=O)CCC(=O)[O-])ccn1	ZINC000257317087	190032637	/nfs/dbraw/zinc/03/26/37/190032637.db2.gz	VIIVGEYWGSLMFW-LBPRGKRZSA-N	-1	0	291.351	1.676	40	0		CDABRM
Cc1nnc([N-]C(=O)c2coc(NC(=O)C3CC3)n2)s1	ZINC000070638771	379427250	/nfs/dbraw/zinc/42/72/50/379427250.db2.gz	ZIYPMYKXSFGSDF-UHFFFAOYSA-N	-1	0	293.308	1.435	40	0		CDABRM
CCS(=O)(=O)[C@@H]1[C@@H](C(=O)[O-])[C@H]1c1cccc(F)c1	ZINC000252515407	256689149	/nfs/dbraw/zinc/68/91/49/256689149.db2.gz	JPWSRQYNXQUAQT-VWYCJHECSA-N	-1	0	272.297	1.427	40	0		CDABRM
O=C([O-])[C@@H]1CCN(c2ccc(=O)n(-c3ccccc3)n2)C1	ZINC000096517262	390531594	/nfs/dbraw/zinc/53/15/94/390531594.db2.gz	GMWCYACAHNJIMO-LLVKDONJSA-N	-1	0	285.303	1.143	40	0		CDABRM
CCc1cc(N2CC[C@@H](C(=O)[O-])C2)nc(C2CC2)n1	ZINC000096516970	390531873	/nfs/dbraw/zinc/53/18/73/390531873.db2.gz	RWBUHOGBHDLTJV-SNVBAGLBSA-N	-1	0	261.325	1.827	40	0		CDABRM
COc1cccc(-c2cc(=O)n(CC(=O)[O-])c(C)n2)c1	ZINC000096531030	390540612	/nfs/dbraw/zinc/54/06/12/390540612.db2.gz	XCWILNNMMPXARI-UHFFFAOYSA-N	-1	0	274.276	1.312	40	0		CDABRM
Cc1scc(C(=O)Nc2cnn(CC(=O)[O-])c2)c1C	ZINC000399774826	398056356	/nfs/dbraw/zinc/05/63/56/398056356.db2.gz	NVOBTLQGMYZFCQ-UHFFFAOYSA-N	-1	0	279.321	1.898	40	0		CDABRM
O=C([O-])[C@@H](c1ccccc1)[C@@H](O)[C@@]1(O)CC=CCC1	ZINC000005664855	170125371	/nfs/dbraw/zinc/12/53/71/170125371.db2.gz	UOBIHZJUWDKZDT-GZBFAFLISA-N	-1	0	262.305	1.687	40	0		CDABRM
Cc1cc(=O)[nH]c(SCc2n[n-]c(=S)o2)n1	ZINC000006420604	170200019	/nfs/dbraw/zinc/20/00/19/170200019.db2.gz	MAKIMZRLBZKGLM-UHFFFAOYSA-N	-1	0	256.312	1.416	40	0		CDABRM
N=c1c(C(N)=O)cc(Cl)c(C(=O)[O-])n1-c1ccccc1	ZINC000020530570	171240830	/nfs/dbraw/zinc/24/08/30/171240830.db2.gz	MDILYQUZFVYHOE-UHFFFAOYSA-N	-1	0	291.694	1.407	40	0		CDABRM
COc1cc(OC)cc(-c2nc(SCC(=O)[O-])n[nH]2)c1	ZINC000037368416	173157700	/nfs/dbraw/zinc/15/77/00/173157700.db2.gz	UJDYTBRVBAZZLL-UHFFFAOYSA-N	-1	0	295.320	1.666	40	0		CDABRM
Cc1oc(C)c(C(=O)N2CCC[C@H]2C(=O)[O-])c1C	ZINC000037435377	173206175	/nfs/dbraw/zinc/20/61/75/173206175.db2.gz	YKMCQAJOEMIMRG-JTQLQIEISA-N	-1	0	251.282	1.894	40	0		CDABRM
COc1ccccc1[C@@H]1[C@@H](C(=O)[O-])CC(=O)N1C1CC1	ZINC000045922810	175386749	/nfs/dbraw/zinc/38/67/49/175386749.db2.gz	MNOSNVZQVKLBBU-SMDDNHRTSA-N	-1	0	275.304	1.832	40	0		CDABRM
CC(C)c1ccc(O)c(N2C[C@@H](C(=O)[O-])CC2=O)c1	ZINC000045953724	175389087	/nfs/dbraw/zinc/38/90/87/175389087.db2.gz	NWRJHKUKSDBKHN-JTQLQIEISA-N	-1	0	263.293	1.953	40	0		CDABRM
C[C@]1(c2cccc(NC(=O)c3ccoc3)c2)NC(=O)NC1=O	ZINC000040111204	260135172	/nfs/dbraw/zinc/13/51/72/260135172.db2.gz	WXTJFNPYTYXBFS-OAHLLOKOSA-N	-1	0	299.286	1.587	40	0		CDABRM
Cc1cc(C)c(C(=O)N2CCCC[C@H]2C(=O)[O-])o1	ZINC000136496594	301163989	/nfs/dbraw/zinc/16/39/89/301163989.db2.gz	POEPMACXGKZYPX-JTQLQIEISA-N	-1	0	251.282	1.976	40	0		CDABRM
CN(Cc1cnn(C)c1)[C@H](C(=O)[O-])c1ccccc1F	ZINC000582791019	325045346	/nfs/dbraw/zinc/04/53/46/325045346.db2.gz	OGOPUBJTYWMNNF-ZDUSSCGKSA-N	-1	0	277.299	1.817	40	0		CDABRM
O=C([O-])c1ccnn(-c2cccc(Cl)c2)c1=O	ZINC000225790782	333182335	/nfs/dbraw/zinc/18/23/35/333182335.db2.gz	TUSLGWAJQFDDCM-UHFFFAOYSA-N	-1	0	250.641	1.584	40	0		CDABRM
Cc1ccc(C[C@@H]2SC[C@H](C(=O)[O-])NC2=O)cc1Cl	ZINC000062712239	524667229	/nfs/dbraw/zinc/66/72/29/524667229.db2.gz	JJNFVSNGUSASIZ-MNOVXSKESA-N	-1	0	299.779	1.876	40	0		CDABRM
Cn1cc([C@H]2C[C@@H](C(=O)[O-])CN(C(=O)C3(C)CC3)C2)cn1	ZINC000868454062	679846513	/nfs/dbraw/zinc/84/65/13/679846513.db2.gz	XLNAENTXGDOEGX-WDEREUQCSA-N	-1	0	291.351	1.237	40	0		CDABRM
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](CC(=O)[O-])O[C@@H]2C1	ZINC000097758885	342022731	/nfs/dbraw/zinc/02/27/31/342022731.db2.gz	SJCCDENKKVENNT-LPEHRKFASA-N	-1	0	271.313	1.486	40	0		CDABRM
CC(C)C1(S(=O)(=O)NCc2cccc(C(=O)[O-])c2)CC1	ZINC000629293353	361816800	/nfs/dbraw/zinc/81/68/00/361816800.db2.gz	IANINBTVNQQEPI-UHFFFAOYSA-N	-1	0	297.376	1.993	40	0		CDABRM
CCC(CC)NC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)[O-]	ZINC000004651034	282208954	/nfs/dbraw/zinc/20/89/54/282208954.db2.gz	BKIIOWLWPIEGFE-DMWPJOQESA-N	-1	0	251.326	1.814	40	0		CDABRM
Cn1cc(Br)c(-c2n[n-]c(=N)s2)n1	ZINC000408717503	365729585	/nfs/dbraw/zinc/72/95/85/365729585.db2.gz	DFYSRMLIHOBPGM-UHFFFAOYSA-N	-1	0	260.120	1.114	40	0		CDABRM
CC(C)C[C@](C)(CC(=O)[O-])C(=O)N1CCS(=O)CC1	ZINC000601996719	344311489	/nfs/dbraw/zinc/31/14/89/344311489.db2.gz	RQJCXZQWNCFSKS-CYBMUJFWSA-N	-1	0	289.397	1.104	40	0		CDABRM
CN(C)c1nc(C(F)F)c(Br)c(=O)[n-]1	ZINC000257198259	345291188	/nfs/dbraw/zinc/29/11/88/345291188.db2.gz	XLHCROPDKXWTIP-UHFFFAOYSA-N	-1	0	268.061	1.948	40	0		CDABRM
O=C([O-])c1ccc(-n2nc(N3CCCCC3)ccc2=O)cc1	ZINC000096517281	136520901	/nfs/dbraw/zinc/52/09/01/136520901.db2.gz	SKOLXVZYRHSKCY-UHFFFAOYSA-N	-1	0	299.330	1.921	40	0		CDABRM
NC1(S(=O)(=O)[O-])c2ccccc2-c2ccccc21	ZINC000001688075	303359941	/nfs/dbraw/zinc/35/99/41/303359941.db2.gz	OPHNIIKIKYDSBC-UHFFFAOYSA-N	-1	0	261.302	1.715	40	0		CDABRM
O=C([O-])c1cccc(NC(=S)NC[C@H]2CCCO2)c1	ZINC000000874353	355923417	/nfs/dbraw/zinc/92/34/17/355923417.db2.gz	QMIXKBQKEHUMSX-LLVKDONJSA-N	-1	0	280.349	1.850	40	0		CDABRM
O=C([O-])c1ccn(COc2ccc(F)cc2F)n1	ZINC000002535556	355973674	/nfs/dbraw/zinc/97/36/74/355973674.db2.gz	TWNBWVWNSCGATR-UHFFFAOYSA-N	-1	0	254.192	1.896	40	0		CDABRM
COC(=O)C1=C([O-])c2c(OC)ccc(OC)c2CC1	ZINC000005813060	356061878	/nfs/dbraw/zinc/06/18/78/356061878.db2.gz	HFQHUHXPGVUQIB-SECBINFHSA-N	-1	0	264.277	1.622	40	0		CDABRM
O=C([O-])c1cc(S(=O)(=O)NCc2ccco2)ccc1F	ZINC000013072638	356336822	/nfs/dbraw/zinc/33/68/22/356336822.db2.gz	FNWLYWMXOSARJD-UHFFFAOYSA-N	-1	0	299.279	1.595	40	0		CDABRM
CCS(=O)(=O)C(C)=C([O-])c1ccc(OC)cc1	ZINC000081907218	357099073	/nfs/dbraw/zinc/09/90/73/357099073.db2.gz	KMACMTLBWLWLIE-VIFPVBQESA-N	-1	0	256.323	1.701	40	0		CDABRM
O=C([O-])c1cc(=O)[nH]c(COc2ccccc2Cl)n1	ZINC000049470131	357216831	/nfs/dbraw/zinc/21/68/31/357216831.db2.gz	STCTUGGGHMIXMO-UHFFFAOYSA-N	-1	0	280.667	1.701	40	0		CDABRM
Nc1cccc(CC(=O)[N-]S(=O)(=O)c2ccccc2)c1	ZINC000090600461	358053204	/nfs/dbraw/zinc/05/32/04/358053204.db2.gz	WWPRSGJRJSFUSL-UHFFFAOYSA-N	-1	0	290.344	1.316	40	0		CDABRM
COc1cccc(NC(=O)[C@@H]2[C@H]3C=C[C@H](O3)[C@@H]2C(=O)[O-])c1	ZINC000004175181	358573298	/nfs/dbraw/zinc/57/32/98/358573298.db2.gz	UDBOPXKFAIRNQR-XQHKEYJVSA-N	-1	0	289.287	1.288	40	0		CDABRM
CC(C)c1ccc(-c2nnnn2CCC(=O)[O-])cc1	ZINC000013998397	366506111	/nfs/dbraw/zinc/50/61/11/366506111.db2.gz	CFGSYEGCPTXGGL-UHFFFAOYSA-N	-1	0	260.297	1.938	40	0		CDABRM
COC(=O)CCC([O-])=C1N=C(c2ccccc2)OC1=O	ZINC000217675626	359018665	/nfs/dbraw/zinc/01/86/65/359018665.db2.gz	PTJNUVVTRPVQSI-BENRWUELSA-N	-1	0	275.260	1.713	40	0		CDABRM
Cc1nc(COc2cccc(N)c2)ncc1C(=O)[O-]	ZINC000226104241	359647123	/nfs/dbraw/zinc/64/71/23/359647123.db2.gz	XIGPLCQHNRWMKR-UHFFFAOYSA-N	-1	0	259.265	1.644	40	0		CDABRM
CC[C@@H](C)[C@@H](NC(=O)c1cnc2ccccc2n1)C(=O)[O-]	ZINC000001626853	364387102	/nfs/dbraw/zinc/38/71/02/364387102.db2.gz	KHTQXSYLIVGXIE-NOZJJQNGSA-N	-1	0	287.319	1.859	40	0		CDABRM
CO[C@@H]1C(=O)N(c2ccccc2Cl)[C@H]1C(=O)[O-]	ZINC000218277369	365259714	/nfs/dbraw/zinc/25/97/14/365259714.db2.gz	QNPDVSURVNJOPI-BDAKNGLRSA-N	-1	0	255.657	1.155	40	0		CDABRM
CCn1cc(C(=O)N(C)CCC(=O)[O-])c(C2CC2)n1	ZINC000630136807	368325405	/nfs/dbraw/zinc/32/54/05/368325405.db2.gz	HQCGEOWKYVLPID-UHFFFAOYSA-N	-1	0	265.313	1.327	40	0		CDABRM
CC(C)(C)OC(=O)N[C@@H](C(=O)[O-])c1ccncc1	ZINC000002583478	375263049	/nfs/dbraw/zinc/26/30/49/375263049.db2.gz	MHUNKOGKEZKMBI-SECBINFHSA-N	-1	0	252.270	1.732	40	0		CDABRM
O=C([O-])c1ccccc1-n1cc(Cn2cccn2)cn1	ZINC000257249483	190019750	/nfs/dbraw/zinc/01/97/50/190019750.db2.gz	JIPARRASCQTEQV-UHFFFAOYSA-N	-1	0	268.276	1.815	40	0		CDABRM
COC[C@@]1(C(=O)[O-])C[C@@H]1S(=O)(=O)c1ccc(C)cc1	ZINC000217992431	375773277	/nfs/dbraw/zinc/77/32/77/375773277.db2.gz	DVQIKIPZFVCAGG-AAEUAGOBSA-N	-1	0	284.333	1.258	40	0		CDABRM
CO[C@@H]1CCC[C@@H](NC(=O)c2cccc(F)c2[O-])[C@H]1O	ZINC000257320632	190033659	/nfs/dbraw/zinc/03/36/59/190033659.db2.gz	VXQKIIVEHIKJGY-NQBHXWOUSA-N	-1	0	283.299	1.190	40	0		CDABRM
CO[C@@H](C)CS(=O)(=O)Nc1ccc(F)c(C(=O)[O-])c1	ZINC000278604421	194064409	/nfs/dbraw/zinc/06/44/09/194064409.db2.gz	LHXDDCMESJFHBH-ZETCQYMHSA-N	-1	0	291.300	1.301	40	0		CDABRM
CC(C)(C)OC(=O)N1CC[C@H]2OCC[C@@]2(C(=O)[O-])C1	ZINC000110915541	256700575	/nfs/dbraw/zinc/70/05/75/256700575.db2.gz	ZPRFJQKYRCYHPF-NOZJJQNGSA-N	-1	0	271.313	1.487	40	0		CDABRM
Cc1cccc(-n2c(=O)[nH]c3cc(C(=O)[O-])ccc3c2=O)n1	ZINC000408712763	390178104	/nfs/dbraw/zinc/17/81/04/390178104.db2.gz	OHCGPGAFWVREBW-UHFFFAOYSA-N	-1	0	297.270	1.493	40	0		CDABRM
CN(C)S(=O)(=O)c1cccc(C2(C(=O)[O-])CC2)c1	ZINC000096515619	390531865	/nfs/dbraw/zinc/53/18/65/390531865.db2.gz	YXGDVGXUPSQOJA-UHFFFAOYSA-N	-1	0	269.322	1.053	40	0		CDABRM
Cc1nc2c(c(-n3cnc(C(=O)[O-])c3)n1)CCCC2	ZINC000096517358	390533184	/nfs/dbraw/zinc/53/31/84/390533184.db2.gz	FMZFCCMKISTDDN-UHFFFAOYSA-N	-1	0	258.281	1.548	40	0		CDABRM
CC[C@H](C)[C@H](NC(=O)[C@@H]1Cc2ccccc21)C(=O)[O-]	ZINC000090982916	146964792	/nfs/dbraw/zinc/96/47/92/146964792.db2.gz	IMSUFWQALJYVFI-BIMULSAOSA-N	-1	0	261.321	1.942	40	0		CDABRM
Cc1ccsc1S(=O)(=O)N[C@@H](C)CC(=O)[O-]	ZINC000309664855	149187292	/nfs/dbraw/zinc/18/72/92/149187292.db2.gz	HFYFOEKVTBFYIS-ZETCQYMHSA-N	-1	0	263.340	1.198	40	0		CDABRM
O=C([O-])[C@H]1C[C@@H](C(=O)[O-])[C@@H](c2ccc(Cl)cc2)[NH2+]1	ZINC000004203123	169943627	/nfs/dbraw/zinc/94/36/27/169943627.db2.gz	MMUGORBTGPYPOV-OPRDCNLKSA-N	-1	0	269.684	1.528	40	0		CDABRM
Cc1cccc([C@@H]2N[C@H](C(=O)[O-])Cc3[nH]cnc32)c1	ZINC000005818515	170143571	/nfs/dbraw/zinc/14/35/71/170143571.db2.gz	BTGPLKVLZKCBQX-RYUDHWBXSA-N	-1	0	257.293	1.406	40	0		CDABRM
Cn1nnnc1SCc1cc(=O)n(-c2ccccc2)[n-]1	ZINC000010157327	170398918	/nfs/dbraw/zinc/39/89/18/170398918.db2.gz	HIZGRTONZMZEFV-UHFFFAOYSA-N	-1	0	288.336	1.394	40	0		CDABRM
CCOc1ccc(C(=O)[O-])cc1S(=O)(=O)N(C)C	ZINC000021959633	171342228	/nfs/dbraw/zinc/34/22/28/171342228.db2.gz	ASSSXEVSZLNHJP-UHFFFAOYSA-N	-1	0	273.310	1.034	40	0		CDABRM
Nc1cc(F)c([C@H](N)C(F)(F)F)cc1C(=O)[O-]	ZINC000072195384	176337023	/nfs/dbraw/zinc/33/70/23/176337023.db2.gz	LHACKWDOTMXCME-ZETCQYMHSA-N	-1	0	252.167	1.668	40	0		CDABRM
O=C([O-])Cn1cc(I)c(C2CC2)n1	ZINC000072339313	176371677	/nfs/dbraw/zinc/37/16/77/176371677.db2.gz	AOGMHNDFIWLEDI-UHFFFAOYSA-N	-1	0	292.076	1.450	40	0		CDABRM
CC(C)(C)OC(=O)[C@H](N)Cc1ccc(C(=O)[O-])cc1	ZINC000071863617	278453149	/nfs/dbraw/zinc/45/31/49/278453149.db2.gz	CWURYJUXJKXNGE-LLVKDONJSA-N	-1	0	265.309	1.596	40	0		CDABRM
CN1C(=S)S[C@@H](Cc2ccccc2C(=O)[O-])[C@@H]1O	ZINC000225392413	289860697	/nfs/dbraw/zinc/86/06/97/289860697.db2.gz	ILEONQHFMCXRTP-UWVGGRQHSA-N	-1	0	283.374	1.578	40	0		CDABRM
CC(C)(C)c1cc(N2CCC(O)CC2)nc(C(=O)[O-])n1	ZINC000571645541	294477291	/nfs/dbraw/zinc/47/72/91/294477291.db2.gz	FNLZBOMALVNUGE-UHFFFAOYSA-N	-1	0	279.340	1.433	40	0		CDABRM
COc1ccc2c(c1)C[C@]1(CCC(=O)[C@@H](C(=O)[O-])C1)C2=O	ZINC000003851979	295263049	/nfs/dbraw/zinc/26/30/49/295263049.db2.gz	GZDUYUVOVVAPFU-LRDDRELGSA-N	-1	0	288.299	1.874	40	0		CDABRM
COc1ccccc1[C@H](C(=O)[O-])N1CCOCC1	ZINC000016719058	295396764	/nfs/dbraw/zinc/39/67/64/295396764.db2.gz	GHFKZAVVHCNWRU-GFCCVEGCSA-N	-1	0	251.282	1.153	40	0		CDABRM
O=C([O-])c1nnc2c(Br)cccc2c1O	ZINC000083326646	327148127	/nfs/dbraw/zinc/14/81/27/327148127.db2.gz	XJKBFUFLZYQEQU-UHFFFAOYSA-N	-1	0	269.054	1.796	40	0		CDABRM
Cc1nccc(C(=O)N[C@]2(C(=O)[O-])CCc3ccccc32)n1	ZINC000675988352	483391192	/nfs/dbraw/zinc/39/11/92/483391192.db2.gz	HHDNPLQLLHLJGG-MRXNPFEDSA-N	-1	0	297.314	1.441	40	0		CDABRM
O=C([O-])[C@H]1CS[C@H](Cc2cccc(Cl)c2)C(=O)N1	ZINC000062712108	526332956	/nfs/dbraw/zinc/33/29/56/526332956.db2.gz	XAJGLNRIUDZGSF-NXEZZACHSA-N	-1	0	285.752	1.567	40	0		CDABRM
O=C1[N-]C(=O)/C(=C/c2cccn2-c2ccccc2)N1	ZINC000004599240	688156836	/nfs/dbraw/zinc/15/68/36/688156836.db2.gz	ZBUWERUAHPKVNC-XFXZXTDPSA-N	-1	0	253.261	1.658	40	0		CDABRM
Cn1cc(C(=O)[O-])c2nc(Br)cnc21	ZINC000211747611	1175785936	/nfs/dbraw/zinc/78/59/36/1175785936.db2.gz	DFTILGMUZFOPKH-UHFFFAOYSA-N	-1	0	256.059	1.429	40	0		CDABRM
O=C([O-])[C@H]1CCN(c2cc(-c3ccccc3)[nH]n2)C1	ZINC000096517184	342165789	/nfs/dbraw/zinc/16/57/89/342165789.db2.gz	DWIOWKHGVYAFSD-NSHDSACASA-N	-1	0	257.293	1.988	40	0		CDABRM
CS(=O)(=O)c1nc2cccc(Br)c2[n-]1	ZINC000085385812	179046432	/nfs/dbraw/zinc/04/64/32/179046432.db2.gz	NHNSQOUJIIDZTI-UHFFFAOYSA-N	-1	0	275.127	1.729	40	0		CDABRM
C[C@@H]1[C@H](C(=O)[O-])[NH2+][C@H](c2ccc(Cl)cc2)[C@@H]1C(=O)[O-]	ZINC000253603318	350506073	/nfs/dbraw/zinc/50/60/73/350506073.db2.gz	CWSJTEZWAJPIKN-JADCEHMESA-N	-1	0	283.711	1.774	40	0		CDABRM
O=C([O-])[C@@H]1CCCCN1C(=O)CCc1cscn1	ZINC000136473617	363101688	/nfs/dbraw/zinc/10/16/88/363101688.db2.gz	PAHZVAHSXRZHPQ-JTQLQIEISA-N	-1	0	268.338	1.541	40	0		CDABRM
CS(=O)(=O)Nc1cnn(Cc2ccccc2Cl)c1	ZINC000014228125	366135386	/nfs/dbraw/zinc/13/53/86/366135386.db2.gz	BLYQYYBIFJOPQS-UHFFFAOYSA-N	-1	0	285.756	1.956	40	0		CDABRM
CCc1cnc([N-]S(=O)(=O)c2ccc(N)cc2)nc1	ZINC000002598086	355976942	/nfs/dbraw/zinc/97/69/42/355976942.db2.gz	XVYRUUWBRCOGRJ-UHFFFAOYSA-N	-1	0	278.337	1.422	40	0		CDABRM
CC(C)Cn1cnc2c1nc(N)nc2SCC(=O)[O-]	ZINC000001685086	355947064	/nfs/dbraw/zinc/94/70/64/355947064.db2.gz	CMFBTERDHNLIRZ-UHFFFAOYSA-N	-1	0	281.341	1.241	40	0		CDABRM
O=C(NC1C(=O)NC(=S)N=C1[O-])c1ccco1	ZINC000016957962	356449671	/nfs/dbraw/zinc/44/96/71/356449671.db2.gz	IWQJMRZFBIFWCQ-UHFFFAOYSA-N	-1	0	253.239	1.396	40	0		CDABRM
C[C@H]1Oc2cc(Cl)ccc2N(CCC(=O)[O-])C1=O	ZINC000084802692	359004900	/nfs/dbraw/zinc/00/49/00/359004900.db2.gz	WGIJTOBDRXMBNU-SSDOTTSWSA-N	-1	0	269.684	1.929	40	0		CDABRM
CCNC(=O)Cc1csc([N-]c2nc(C)cc(C)n2)n1	ZINC000049029464	359243001	/nfs/dbraw/zinc/24/30/01/359243001.db2.gz	PBMGTPHBXNURMY-UHFFFAOYSA-N	-1	0	291.380	1.972	40	0		CDABRM
O=C([O-])CCc1cnc(COc2ccccc2F)[nH]c1=O	ZINC000223443179	359427062	/nfs/dbraw/zinc/42/70/62/359427062.db2.gz	QPKFHFIXLYZMOL-UHFFFAOYSA-N	-1	0	292.266	1.505	40	0		CDABRM
CC(C)(C)n1cnc(C(=O)N[C@@H](CC2CC2)C(=O)[O-])n1	ZINC000515301945	360471518	/nfs/dbraw/zinc/47/15/18/360471518.db2.gz	FKEBEHVXZUQMLZ-VIFPVBQESA-N	-1	0	280.328	1.016	40	0		CDABRM
Cc1cc(=O)c2c([n-]n(-c3ccc(F)cc3)c2=O)[nH]1	ZINC000008020758	364896418	/nfs/dbraw/zinc/89/64/18/364896418.db2.gz	LMPHHVKVBIZGHU-UHFFFAOYSA-N	-1	0	259.240	1.455	40	0		CDABRM
CO[C@@H]1C(=O)N(c2cccc(Cl)c2)[C@@H]1C(=O)[O-]	ZINC000218277707	365259686	/nfs/dbraw/zinc/25/96/86/365259686.db2.gz	IYXCOHKBEBNXBW-IUCAKERBSA-N	-1	0	255.657	1.155	40	0		CDABRM
COCCCNC(=O)c1csc([N-]c2ncccn2)n1	ZINC000049032159	373981796	/nfs/dbraw/zinc/98/17/96/373981796.db2.gz	RIUWZIAUDUOOGV-UHFFFAOYSA-N	-1	0	293.352	1.443	40	0		CDABRM
O=C([O-])CN1N=C(c2ccc3c(c2)CCC3)[C@H]2C[C@H]2C1=O	ZINC000217834487	375746536	/nfs/dbraw/zinc/74/65/36/375746536.db2.gz	TXCIPFWPKPYAGI-QWHCGFSZSA-N	-1	0	284.315	1.442	40	0		CDABRM
O=c1[n-]c(=O)c(-c2cccc(Cl)c2Cl)n[nH]1	ZINC000077291455	377574581	/nfs/dbraw/zinc/57/45/81/377574581.db2.gz	JWSXBRQDWPGEPC-UHFFFAOYSA-N	-1	0	258.064	1.844	40	0	in-vitro	CDABRM
O=C1CCCC(=O)C1=C([O-])c1cnc2ccccc2n1	ZINC000103619404	256702013	/nfs/dbraw/zinc/70/20/13/256702013.db2.gz	FYUMHUQKIWOSHZ-UHFFFAOYSA-N	-1	0	268.272	1.751	40	0		CDABRM
CCOC(=O)Cc1n[n-]c(=NC(=O)OCC)s1	ZINC000059386995	256796005	/nfs/dbraw/zinc/79/60/05/256796005.db2.gz	MNAVJEBPTQGLRN-UHFFFAOYSA-N	-1	0	259.287	1.212	40	0		CDABRM
CC1(C)CN(C(=O)COCC(=O)[O-])c2ccccc21	ZINC000096509654	390530419	/nfs/dbraw/zinc/53/04/19/390530419.db2.gz	MPQZNWBIDMDGJV-UHFFFAOYSA-N	-1	0	263.293	1.412	40	0		CDABRM
Cc1nnnn1[C@H](Cc1ccccc1Cl)C(=O)[O-]	ZINC000072221051	390622313	/nfs/dbraw/zinc/62/23/13/390622313.db2.gz	HBYMTVRFYAMXSI-SNVBAGLBSA-N	-1	0	266.688	1.503	40	0		CDABRM
C[C@H]1CCc2nnc(N3CC[C@@H](C(=O)[O-])C3)cc2C1	ZINC000225586533	391280030	/nfs/dbraw/zinc/28/00/30/391280030.db2.gz	GLVGYDKGLBRXHY-VHSXEESVSA-N	-1	0	261.325	1.512	40	0		CDABRM
CN(C)c1ncc([N-]S(=O)(=O)c2cccc(F)c2)cn1	ZINC000133991560	391937227	/nfs/dbraw/zinc/93/72/27/391937227.db2.gz	JNPYQIVKYDUADT-UHFFFAOYSA-N	-1	0	296.327	1.483	40	0		CDABRM
Cc1noc([C@@H](C)NC(=O)Nc2cccnc2)c1C(=O)[O-]	ZINC000096297088	393174242	/nfs/dbraw/zinc/17/42/42/393174242.db2.gz	YCQDAUYZJJILLW-MRVPVSSYSA-N	-1	0	290.279	1.959	40	0	biogenic,in-vitro	CDABRM
Cc1noc([C@@H](C)NC(=O)C2CCOCC2)c1C(=O)[O-]	ZINC000096297031	393174391	/nfs/dbraw/zinc/17/43/91/393174391.db2.gz	LKDUKCPDXICQJQ-MRVPVSSYSA-N	-1	0	282.296	1.285	40	0	biogenic,in-vitro	CDABRM
C[C@H](Oc1ccc2c(c1)[C@H]1CCO[C@@H]1O2)C(=O)[O-]	ZINC000242498667	393195879	/nfs/dbraw/zinc/19/58/79/393195879.db2.gz	HMZHPDRSJJCXBS-WIMUKIRHSA-N	-1	0	250.250	1.761	40	0		CDABRM
CCC(=O)Nc1ccc(NC(=O)[C@@H](C)C(=O)[O-])cc1	ZINC000229348639	140201215	/nfs/dbraw/zinc/20/12/15/140201215.db2.gz	JTPNNVBNSIJBST-MRVPVSSYSA-N	-1	0	264.281	1.694	40	0		CDABRM
C[C@@H]1CC[C@@H]2C(C)(C)C[C@](C)(CO)[C@@]2(O)[C@@H]1C(=O)[O-]	ZINC000247854355	296665675	/nfs/dbraw/zinc/66/56/75/296665675.db2.gz	CAKZQSFFOAEEET-ZNLHFFCSSA-N	-1	0	270.369	1.893	40	0	biogenic,in-vitro	CDABRM
NC(=O)c1ccccc1C(=O)Nc1cccc(C(=O)[O-])c1	ZINC000008380058	170334285	/nfs/dbraw/zinc/33/42/85/170334285.db2.gz	QFCSGSGLGLVHQX-UHFFFAOYSA-N	-1	0	284.271	1.736	40	0		CDABRM
O=C1CC[C@@H](c2n[n-]c(=S)n2-c2ccccc2)N1	ZINC000008436421	170336526	/nfs/dbraw/zinc/33/65/26/170336526.db2.gz	UVZGIPRWEXCZEW-VIFPVBQESA-N	-1	0	260.322	1.881	40	0		CDABRM
CSc1n[nH]c([N-]S(=O)(=O)c2ccccc2)n1	ZINC000016248700	170691805	/nfs/dbraw/zinc/69/18/05/170691805.db2.gz	QILWAQPTAIHUEO-UHFFFAOYSA-N	-1	0	270.339	1.327	40	0		CDABRM
CCOc1ccc([C@H](C(=O)[O-])N2CCOCC2)cc1	ZINC000016852003	170713673	/nfs/dbraw/zinc/71/36/73/170713673.db2.gz	USXAMLQIHVKPAX-CYBMUJFWSA-N	-1	0	265.309	1.543	40	0		CDABRM
CC(=O)NCCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)[O-]	ZINC000021991982	171346786	/nfs/dbraw/zinc/34/67/86/171346786.db2.gz	IOKOUUAPSRCSNT-SNVBAGLBSA-N	-1	0	288.344	1.271	40	0		CDABRM
Cn1ncc(C2CC2)c1C(=O)NCc1ccc(C(=O)[O-])o1	ZINC000659134555	413551351	/nfs/dbraw/zinc/55/13/51/413551351.db2.gz	QDGCCGNOJOCFJJ-UHFFFAOYSA-N	-1	0	289.291	1.519	40	0		CDABRM
O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCNC[C@H]1c1cccc(F)c1	ZINC000656853065	413733977	/nfs/dbraw/zinc/73/39/77/413733977.db2.gz	QCQOMDVBYLTPFN-UPJWGTAASA-N	-1	0	292.310	1.019	40	0		CDABRM
C[C@@](C(=O)[O-])(c1ccccc1Cl)N1CCOCC1	ZINC000037358837	173148515	/nfs/dbraw/zinc/14/85/15/173148515.db2.gz	UYMOPLKTZQLDNB-ZDUSSCGKSA-N	-1	0	269.728	1.972	40	0		CDABRM
O=C([O-])Cn1nc(-c2cccnc2)nc1-c1cccnc1	ZINC000040174379	174200179	/nfs/dbraw/zinc/20/01/79/174200179.db2.gz	HUSNIFCFEMDYDG-UHFFFAOYSA-N	-1	0	281.275	1.487	40	0		CDABRM
O=C([O-])c1ccc(=O)n(-c2ccc3c(c2)OCCO3)c1	ZINC000043672111	175087596	/nfs/dbraw/zinc/08/75/96/175087596.db2.gz	QAHGYTSOORBMNO-UHFFFAOYSA-N	-1	0	273.244	1.307	40	0		CDABRM
Cc1cc(C(=O)NCc2nc(C)c(C(=O)[O-])s2)[nH]n1	ZINC000070378777	175901058	/nfs/dbraw/zinc/90/10/58/175901058.db2.gz	KMALQUUOUIFAEU-UHFFFAOYSA-N	-1	0	280.309	1.111	40	0		CDABRM
CCOC(=O)C1=NN(c2ccc(Cl)cc2)[C@@H](C(=O)[O-])C1	ZINC000071979218	176307720	/nfs/dbraw/zinc/30/77/20/176307720.db2.gz	JLZSLVKXVCUKKG-LLVKDONJSA-N	-1	0	296.710	1.922	40	0		CDABRM
CCOC(=O)C1=NN(c2ccccc2)[C@@](C)(C(=O)[O-])C1	ZINC000071979481	176307779	/nfs/dbraw/zinc/30/77/79/176307779.db2.gz	QGBAADFPPBGAOO-CQSZACIVSA-N	-1	0	276.292	1.659	40	0		CDABRM
COCc1cccc(S(=O)(=O)[N-]c2nc(C)cs2)c1	ZINC000072240311	176347822	/nfs/dbraw/zinc/34/78/22/176347822.db2.gz	KTSBLJONFPOWDC-UHFFFAOYSA-N	-1	0	298.389	1.821	40	0		CDABRM
O=C([O-])CCc1nc([C@@H]2COc3ccccc3O2)no1	ZINC000078401025	177337768	/nfs/dbraw/zinc/33/77/68/177337768.db2.gz	KEOOYWWYVZVLPY-JTQLQIEISA-N	-1	0	276.248	1.599	40	0		CDABRM
Cc1nn(C)c([N-]S(=O)(=O)c2cccc(F)c2)c1C	ZINC000078612519	177360277	/nfs/dbraw/zinc/36/02/77/177360277.db2.gz	UZJRWZUQXZNQHK-UHFFFAOYSA-N	-1	0	283.328	1.977	40	0		CDABRM
COc1ccc2c(c1)n(C)c(C(=O)[O-])c2NC(C)=O	ZINC000006857025	295276852	/nfs/dbraw/zinc/27/68/52/295276852.db2.gz	UWMORNHEIHKRAN-UHFFFAOYSA-N	-1	0	262.265	1.844	40	0		CDABRM
O=C([O-])c1cnc(C=Cc2cccc3c2OCO3)[nH]c1=O	ZINC000670370018	482845017	/nfs/dbraw/zinc/84/50/17/482845017.db2.gz	QRLUUJJQYNVQQZ-SNAWJCMRSA-N	-1	0	286.243	1.780	40	0		CDABRM
O=C([O-])[C@@H]1CCN(C(=O)[C@@H]2CCOC2)c2ccccc21	ZINC000167131979	482885713	/nfs/dbraw/zinc/88/57/13/482885713.db2.gz	QOKGYYOYDGKUFZ-ZYHUDNBSSA-N	-1	0	275.304	1.628	40	0		CDABRM
O=C([O-])[C@H]1CS[C@@H](Cc2ccccc2Cl)C(=O)N1	ZINC000062712100	526333346	/nfs/dbraw/zinc/33/33/46/526333346.db2.gz	DXARLDIXAASAJA-ZJUUUORDSA-N	-1	0	285.752	1.567	40	0		CDABRM
Cn1c(SCC(=O)[O-])nnc1-c1cc(F)ccc1F	ZINC000116937279	527084048	/nfs/dbraw/zinc/08/40/48/527084048.db2.gz	OMUHXBKXYHCIRV-UHFFFAOYSA-N	-1	0	285.275	1.937	40	0		CDABRM
C[C@](NC(=O)c1csnn1)(C(=O)[O-])c1ccccc1	ZINC000087466388	538172534	/nfs/dbraw/zinc/17/25/34/538172534.db2.gz	NSMYJZBGQKKEGB-GFCCVEGCSA-N	-1	0	277.305	1.268	40	0		CDABRM
Cc1n[nH]c(C)c1CCC(=O)N1CCCC[C@@H]1C(=O)[O-]	ZINC000821153376	601743715	/nfs/dbraw/zinc/74/37/15/601743715.db2.gz	VMPFRQASZNHIFD-GFCCVEGCSA-N	-1	0	279.340	1.425	40	0		CDABRM
Cc1c(C(=O)[O-])[nH]c(=O)n1-c1ccc(Cl)cc1	ZINC000095533227	185007025	/nfs/dbraw/zinc/00/70/25/185007025.db2.gz	PJHIXCZQVJYLHN-UHFFFAOYSA-N	-1	0	252.657	1.826	40	0		CDABRM
CC(C)(C)OC(=O)c1ccn(CCCC(=O)[O-])n1	ZINC000408716301	365728032	/nfs/dbraw/zinc/72/80/32/365728032.db2.gz	LEAVQHIPGFBMCE-UHFFFAOYSA-N	-1	0	254.286	1.703	40	0		CDABRM
CCCCC[C@H](C)NC(=O)[C@@H]1[C@@H](C(=O)[O-])[C@H]2CC[C@@H]1O2	ZINC000017009009	282697272	/nfs/dbraw/zinc/69/72/72/282697272.db2.gz	NLROVRSIEBLLOY-WJTVCTBASA-N	-1	0	283.368	1.950	40	0		CDABRM
COc1ccc(-n2nc(C(=O)[O-])c(N3CCCC3)n2)cc1	ZINC000256046287	350907826	/nfs/dbraw/zinc/90/78/26/350907826.db2.gz	DZIGJCMIVZVBIV-UHFFFAOYSA-N	-1	0	288.307	1.574	40	0		CDABRM
COc1cccc(-n2nc(C(=O)[O-])c(N3CCCC3)n2)c1	ZINC000256046581	350908185	/nfs/dbraw/zinc/90/81/85/350908185.db2.gz	GWPKWICNNSVINH-UHFFFAOYSA-N	-1	0	288.307	1.574	40	0		CDABRM
C[C@H](O)[C@@H](NC(=O)SCc1ccccc1)C(=O)[O-]	ZINC000001677515	355946973	/nfs/dbraw/zinc/94/69/73/355946973.db2.gz	DQIYTXNSTIXVNX-WCBMZHEXSA-N	-1	0	269.322	1.463	40	0		CDABRM
[NH3+][C@@H](C[C@H](Cc1ccc2ccccc2c1)C(=O)[O-])C(=O)[O-]	ZINC000012650333	356316365	/nfs/dbraw/zinc/31/63/65/356316365.db2.gz	YDWIUFASTTZKNI-KBPBESRZSA-N	-1	0	287.315	1.885	40	0		CDABRM
CCS(=O)(=O)N1CCc2cc(C(=O)[O-])ccc21	ZINC000013278481	356341798	/nfs/dbraw/zinc/34/17/98/356341798.db2.gz	DAOSLBJGHMRSDN-UHFFFAOYSA-N	-1	0	255.295	1.097	40	0		CDABRM
COc1cc2nc(C)n(CC(=O)[O-])c2cc1OC	ZINC000013483717	356347105	/nfs/dbraw/zinc/34/71/05/356347105.db2.gz	NICQBDHJLPNZII-UHFFFAOYSA-N	-1	0	250.254	1.447	40	0		CDABRM
O=c1cc([O-])nc(-c2cc(Cl)cc(Cl)c2)[nH]1	ZINC000016383377	356438247	/nfs/dbraw/zinc/43/82/47/356438247.db2.gz	JWZYNPHUUPEHNE-UHFFFAOYSA-N	-1	0	257.076	1.787	40	0		CDABRM
Cc1cccc(N2C(=O)C[C@H](SCC(=O)[O-])C2=O)c1C	ZINC000016899639	356448417	/nfs/dbraw/zinc/44/84/17/356448417.db2.gz	GPGMOEYJHJATST-NSHDSACASA-N	-1	0	293.344	1.753	40	0		CDABRM
Cc1nc2n(n1)[C@@H](c1ccccc1)C(C(=O)[O-])=C(C)N2	ZINC000020154007	356528081	/nfs/dbraw/zinc/52/80/81/356528081.db2.gz	KOYQRTQXUOSVQQ-LBPRGKRZSA-N	-1	0	270.292	1.960	40	0		CDABRM
COc1ccc([C@@H](C)N2C[C@@H](C(=O)[O-])CC2=O)cc1	ZINC000049851451	357223016	/nfs/dbraw/zinc/22/30/16/357223016.db2.gz	JBOIQIRJYOXYDQ-KOLCDFICSA-N	-1	0	263.293	1.689	40	0		CDABRM
O=C([O-])C[C@H]1COCCN1C(=O)Cc1ccc(F)c(F)c1	ZINC000129344245	358284300	/nfs/dbraw/zinc/28/43/00/358284300.db2.gz	CMZACPYAAAHDMH-JTQLQIEISA-N	-1	0	299.273	1.209	40	0		CDABRM
Cc1nc(CC(=O)NCc2ccccc2)ncc1C(=O)[O-]	ZINC000217355374	358994890	/nfs/dbraw/zinc/99/48/90/358994890.db2.gz	UCIYWSCEWYAHPQ-UHFFFAOYSA-N	-1	0	285.303	1.342	40	0		CDABRM
NS(=O)(=O)c1cc(C(=O)[O-])ccc1NC1CCCCC1	ZINC000217403079	358999342	/nfs/dbraw/zinc/99/93/42/358999342.db2.gz	FDEHYVTUWKXFIW-UHFFFAOYSA-N	-1	0	298.364	1.777	40	0		CDABRM
COc1ccc(Cc2nc(C)c(CC(=O)[O-])c(=O)[nH]2)cc1	ZINC000033853429	360241521	/nfs/dbraw/zinc/24/15/21/360241521.db2.gz	IFCSEEAOHKJMQS-UHFFFAOYSA-N	-1	0	288.303	1.305	40	0		CDABRM
O=C([O-])[C@@H]1CCCN(c2cc(C(F)(F)F)ncn2)C1	ZINC000096516846	304110525	/nfs/dbraw/zinc/11/05/25/304110525.db2.gz	FORYNTCZPVSUOU-SSDOTTSWSA-N	-1	0	275.230	1.796	40	0		CDABRM
Cc1ccc(C)n1-c1c(C(=O)N[C@H](C)C(=O)[O-])cnn1C	ZINC000237590081	371692739	/nfs/dbraw/zinc/69/27/39/371692739.db2.gz	CQOVTEXXOQWRBJ-SNVBAGLBSA-N	-1	0	290.323	1.031	40	0		CDABRM
CC(C)(C)OC(=O)N[C@H](Cc1cccc(N)n1)C(=O)[O-]	ZINC000016696818	378217479	/nfs/dbraw/zinc/21/74/79/378217479.db2.gz	LWXWBWYJSUGCBY-SECBINFHSA-N	-1	0	281.312	1.184	40	0		CDABRM
CCOC(=O)c1n[n-]c(OCCOC)c1Br	ZINC000096510768	390530698	/nfs/dbraw/zinc/53/06/98/390530698.db2.gz	AMCFEIWRMAFVLI-UHFFFAOYSA-N	-1	0	293.117	1.374	40	0		CDABRM
CS(=O)(=O)C(CO)=C([O-])c1ccc(Cl)cc1Cl	ZINC000096518769	390535029	/nfs/dbraw/zinc/53/50/29/390535029.db2.gz	MUZLASPFRORVAM-SECBINFHSA-N	-1	0	297.159	1.582	40	0		CDABRM
CCN(CC)c1c(Cl)cncc1S(=O)(=O)[O-]	ZINC000072210810	390618173	/nfs/dbraw/zinc/61/81/73/390618173.db2.gz	XTLLKXGZDRMCRF-UHFFFAOYSA-N	-1	0	264.734	1.828	40	0		CDABRM
CC(C)CCn1c(=O)c(CC(=O)[O-])c[nH]c1=S	ZINC000020156355	391349557	/nfs/dbraw/zinc/34/95/57/391349557.db2.gz	HLVAAFZDIHNYQN-UHFFFAOYSA-N	-1	0	256.327	1.579	40	0		CDABRM
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1sccc1Cl	ZINC000263261629	140462427	/nfs/dbraw/zinc/46/24/27/140462427.db2.gz	WKELTDHLWUTTLX-YFKPBYRVSA-N	-1	0	283.758	1.495	40	0		CDABRM
O=C([O-])[C@@H]1CC12CCN(C(=O)CC[C@H]1CCCO1)CC2	ZINC000262477687	149068278	/nfs/dbraw/zinc/06/82/78/149068278.db2.gz	TXXYLOMHCHZXPU-NEPJUHHUSA-N	-1	0	281.352	1.659	40	0		CDABRM
CCn1ccc(CNC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])n1	ZINC000002732505	169822972	/nfs/dbraw/zinc/82/29/72/169822972.db2.gz	UOBISUMVBGGTCD-NEPJUHHUSA-N	-1	0	279.340	1.410	40	0		CDABRM
Cc1csc(NC(=O)[C@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)[O-])n1	ZINC000004946432	170043969	/nfs/dbraw/zinc/04/39/69/170043969.db2.gz	GLMCLYZDCCLYRF-XGEHTFHBSA-N	-1	0	282.321	1.268	40	0		CDABRM
Cc1ccsc1/C=C1/NC(=O)N(CC(=O)[O-])C1=O	ZINC000004998004	170052161	/nfs/dbraw/zinc/05/21/61/170052161.db2.gz	BRNBYWGVXUDPFA-QPJJXVBHSA-N	-1	0	266.278	1.034	40	0		CDABRM
CC(C)CC(=O)NC(=S)Nc1ccc(O)c(C(=O)[O-])c1	ZINC000020151381	171037376	/nfs/dbraw/zinc/03/73/76/171037376.db2.gz	WDDHBOGLPMSWGX-UHFFFAOYSA-N	-1	0	296.348	1.950	40	0		CDABRM
O=C([O-])[C@H](NC(=O)NC(=O)c1ccco1)c1ccccc1	ZINC000021983215	171344892	/nfs/dbraw/zinc/34/48/92/171344892.db2.gz	OHBHOADQJUEVFG-LLVKDONJSA-N	-1	0	288.259	1.545	40	0		CDABRM
Cc1nn(C)cc1[C@@H](C)NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-]	ZINC000036611015	172640704	/nfs/dbraw/zinc/64/07/04/172640704.db2.gz	IUDUEXQDVXJUOH-USWWRNFRSA-N	-1	0	291.351	1.573	40	0		CDABRM
COc1ccc(NCCc2noc(CCC(=O)[O-])n2)cc1	ZINC000078400998	177337711	/nfs/dbraw/zinc/33/77/11/177337711.db2.gz	AGMSWQAIWCMZFW-UHFFFAOYSA-N	-1	0	291.307	1.750	40	0		CDABRM
CCn1nccc1[C@@H](C)NC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-]	ZINC000006635141	288766827	/nfs/dbraw/zinc/76/68/27/288766827.db2.gz	QEOBQTGKXWURIL-UTUOFQBUSA-N	-1	0	293.367	1.971	40	0		CDABRM
C[C@@H]1CC[C@]2(C)C(=C[C@@H](O)C[C@@H]2O)C=C1C(=O)[O-]	ZINC001772591324	1159182356	/nfs/dbraw/zinc/18/23/56/1159182356.db2.gz	SUJBNXDMMIUWKV-QLXFMQRKSA-N	-1	0	252.310	1.486	40	0		CDABRM
O=C([N-]c1nnc(C2CC2)s1)c1cccc[n+]1[O-]	ZINC000046085468	630603515	/nfs/dbraw/zinc/60/35/15/630603515.db2.gz	ZJTCHQWIKUUKEU-UHFFFAOYSA-N	-1	0	262.294	1.301	40	0		CDABRM
CC[C@H](C)NC(=O)c1c([O-])c2ccccc2n(C)c1=O	ZINC000005907897	1164617933	/nfs/dbraw/zinc/61/79/33/1164617933.db2.gz	APYVYMOGYBIEQU-VIFPVBQESA-N	-1	0	274.320	1.772	40	0		CDABRM
Cc1nc(NC2NC(=O)C(=CC(=O)[O-])N2)nc2ccccc12	ZINC000408982734	230411041	/nfs/dbraw/zinc/41/10/41/230411041.db2.gz	JOWGKTKVLSYGCX-UHFFFAOYSA-N	-1	0	299.290	1.738	40	0		CDABRM
CCCc1nc(CNS(=O)(=O)c2ccccc2)no1	ZINC000108021417	342497070	/nfs/dbraw/zinc/49/70/70/342497070.db2.gz	TZEHRHSTUYRXRX-UHFFFAOYSA-N	-1	0	281.337	1.501	40	0		CDABRM
COc1ccc(NC(=O)[C@@H]2[C@@H](C(=O)[O-])[C@H]3C=C[C@@H]2O3)cc1	ZINC000000168409	355892450	/nfs/dbraw/zinc/89/24/50/355892450.db2.gz	ZSIKAGWRGIBEAD-RNJOBUHISA-N	-1	0	289.287	1.288	40	0		CDABRM
CC(C)[C@@](C)(NS(=O)(=O)c1ccccc1)C(=O)[O-]	ZINC000001665197	355944860	/nfs/dbraw/zinc/94/48/60/355944860.db2.gz	RQTMHOGYWITPSY-GFCCVEGCSA-N	-1	0	271.338	1.464	40	0		CDABRM
CC(=O)N[C@@H](CCc1c[nH]c2ccccc12)C(=O)[O-]	ZINC000004293665	356026614	/nfs/dbraw/zinc/02/66/14/356026614.db2.gz	TZVGIHUGMJIKMD-ZDUSSCGKSA-N	-1	0	260.293	1.690	40	0	in-vitro	CDABRM
Cc1ccc(C[C@@H](C(=O)[O-])[NH+]2CCN(C)CC2)cc1Cl	ZINC000057626279	357362130	/nfs/dbraw/zinc/36/21/30/357362130.db2.gz	YRDCMXRLQHRPKB-AWEZNQCLSA-N	-1	0	296.798	1.892	40	0		CDABRM
O=c1c2c(nc3cc(C4CCOCC4)[n-]n31)CCC2	ZINC000100227763	358823189	/nfs/dbraw/zinc/82/31/89/358823189.db2.gz	JFXXKJNRQVISNW-UHFFFAOYSA-N	-1	0	259.309	1.818	40	0		CDABRM
COC(=O)C(=C(C)[O-])C(=O)c1ccccc1Cl	ZINC000100346687	358827781	/nfs/dbraw/zinc/82/77/81/358827781.db2.gz	JQAPPJOUAUZGKE-SNVBAGLBSA-N	-1	0	254.669	1.901	40	0		CDABRM
CCS[C@@H]1CC(=O)N(c2cccc(C(=O)[O-])c2)C1=O	ZINC000100855647	358835840	/nfs/dbraw/zinc/83/58/40/358835840.db2.gz	DIEPBORUHQZDRX-SNVBAGLBSA-N	-1	0	279.317	1.770	40	0		CDABRM
CC(C)[C@H](NS(=O)(=O)c1cccc2ccoc21)C(=O)[O-]	ZINC000263130860	359234814	/nfs/dbraw/zinc/23/48/14/359234814.db2.gz	HKWYHGNWTHLPJC-NSHDSACASA-N	-1	0	297.332	1.820	40	0		CDABRM
C[C@@H]1CCCN(Cc2cc(C(N)=O)cs2)[C@H]1C(=O)[O-]	ZINC000263044856	359217941	/nfs/dbraw/zinc/21/79/41/359217941.db2.gz	JNUXPYORQGHCAK-LDYMZIIASA-N	-1	0	282.365	1.532	40	0		CDABRM
O=C([O-])COc1ccc(S(=O)(=O)C2CCCC2)cc1	ZINC000218303162	365419048	/nfs/dbraw/zinc/41/90/48/365419048.db2.gz	GFKJJTQICPEHCF-UHFFFAOYSA-N	-1	0	284.333	1.866	40	0		CDABRM
O=C(NCCc1ccc(F)cc1)c1cc(=O)[nH]cn1	ZINC000225525115	373724120	/nfs/dbraw/zinc/72/41/20/373724120.db2.gz	IJHZUDGTFMVBLE-UHFFFAOYSA-N	-1	0	261.256	1.294	40	0		CDABRM
O=C(c1csc([N-]c2ncccn2)n1)N1CCOCC1	ZINC000049032153	373981788	/nfs/dbraw/zinc/98/17/88/373981788.db2.gz	APRMGQRIOBFURT-UHFFFAOYSA-N	-1	0	291.336	1.149	40	0		CDABRM
CC(=O)[N-]S(=O)(=O)N(C)c1ccc(C(C)C)cc1	ZINC000133608840	375807367	/nfs/dbraw/zinc/80/73/67/375807367.db2.gz	QLTUBBHJUAAHNZ-UHFFFAOYSA-N	-1	0	270.354	1.627	40	0		CDABRM
CO[C@H](C)CS(=O)(=O)Nc1ccc(C(=O)[O-])cc1	ZINC000278698895	194108765	/nfs/dbraw/zinc/10/87/65/194108765.db2.gz	RVBQRJPMFOPXIF-MRVPVSSYSA-N	-1	0	273.310	1.161	40	0		CDABRM
Cc1cccc(OCc2nnc(SCC(=O)[O-])n2C)c1	ZINC000000420475	169636130	/nfs/dbraw/zinc/63/61/30/169636130.db2.gz	IRAVKKQBCLVZAW-UHFFFAOYSA-N	-1	0	293.348	1.879	40	0		CDABRM
O=C([O-])[C@@H]1Cc2[nH]cnc2[C@@H](c2cc(F)ccc2F)N1	ZINC000096300040	256888291	/nfs/dbraw/zinc/88/82/91/256888291.db2.gz	ILPJNTPEYKASMG-WDEREUQCSA-N	-1	0	279.246	1.376	40	0		CDABRM
O=C([O-])c1ccc(-n2nc(N3CCCC3)ccc2=O)cc1	ZINC000096517283	390532991	/nfs/dbraw/zinc/53/29/91/390532991.db2.gz	RONYZBMQXKNMNW-UHFFFAOYSA-N	-1	0	285.303	1.531	40	0		CDABRM
CCS(=O)(=O)C1(c2nc(CC(=O)[O-])cs2)CC1	ZINC000096531937	390541592	/nfs/dbraw/zinc/54/15/92/390541592.db2.gz	WNWUIZDFKRUUPM-UHFFFAOYSA-N	-1	0	275.351	1.194	40	0		CDABRM
CC(=O)Nc1ccc(S(=O)(=O)[O-])c2cccc(O)c12	ZINC000001706913	169746519	/nfs/dbraw/zinc/74/65/19/169746519.db2.gz	DDTSAWOMRVLTPT-UHFFFAOYSA-N	-1	0	281.289	1.751	40	0		CDABRM
CC(=O)SC[C@@H](Cc1ccccc1)C(=O)NCC(=O)[O-]	ZINC000005166977	170073026	/nfs/dbraw/zinc/07/30/26/170073026.db2.gz	DCMKACHZOPSUHN-GFCCVEGCSA-N	-1	0	295.360	1.326	40	0		CDABRM
O=C([O-])CN1C(=O)S/C(=C\c2ccccc2F)C1=O	ZINC000005214765	170076623	/nfs/dbraw/zinc/07/66/23/170076623.db2.gz	HHSCPMVIFLWLIY-UITAMQMPSA-N	-1	0	281.264	1.947	40	0		CDABRM
O=C([O-])[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)NCCc1ccccc1	ZINC000005278922	170081867	/nfs/dbraw/zinc/08/18/67/170081867.db2.gz	ZPHBCOITRGMVGO-XGUBFFRZSA-N	-1	0	285.343	1.868	40	0		CDABRM
CC(=O)CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-]	ZINC000005631705	170122060	/nfs/dbraw/zinc/12/20/60/170122060.db2.gz	VEGNCRDOWBNDMY-CYBMUJFWSA-N	-1	0	288.303	1.259	40	0		CDABRM
NC(=O)COc1ccc(C(=O)[O-])cc1Br	ZINC000007604171	170293303	/nfs/dbraw/zinc/29/33/03/170293303.db2.gz	NJMIIDYBTBAWKA-UHFFFAOYSA-N	-1	0	274.070	1.011	40	0		CDABRM
CC[C@@H]1COCCN1C(=O)c1ccccc1C(=O)[O-]	ZINC000036323155	287235878	/nfs/dbraw/zinc/23/58/78/287235878.db2.gz	MYYUIYOXHZLXQT-SNVBAGLBSA-N	-1	0	263.293	1.636	40	0		CDABRM
CC[C@@H](C)[C@H](NC(=O)Cc1ccccc1F)C(=O)[O-]	ZINC000022223534	171379831	/nfs/dbraw/zinc/37/98/31/171379831.db2.gz	LRYDSOCWTGIMHR-RNCFNFMXSA-N	-1	0	267.300	1.984	40	0		CDABRM
CCCCCNc1ccc(S(N)(=O)=O)cc1C(=O)[O-]	ZINC000036893416	172785308	/nfs/dbraw/zinc/78/53/08/172785308.db2.gz	CCBVLXUFYDWLBZ-UHFFFAOYSA-N	-1	0	286.353	1.634	40	0		CDABRM
COc1ccc(C[C@H](C(=O)[O-])N2CCOCC2)cc1Cl	ZINC000057629084	175600715	/nfs/dbraw/zinc/60/07/15/175600715.db2.gz	JSJVFPYMDXZCIS-GFCCVEGCSA-N	-1	0	299.754	1.677	40	0		CDABRM
CC(=O)N1CC[C@]1(CCCc1cccnc1)C(=O)[O-]	ZINC000072344352	176373068	/nfs/dbraw/zinc/37/30/68/176373068.db2.gz	IPLZUZLRMZQDOP-CQSZACIVSA-N	-1	0	262.309	1.480	40	0		CDABRM
O=c1[nH]c(=S)[nH]c([O-])c1CN(CCO)c1ccccc1	ZINC000016487815	260099049	/nfs/dbraw/zinc/09/90/49/260099049.db2.gz	NQXXNDHGELELHG-UHFFFAOYSA-N	-1	0	293.348	1.549	40	0		CDABRM
O=C([O-])COc1ccc(CO)cc1Br	ZINC000409114444	261139763	/nfs/dbraw/zinc/13/97/63/261139763.db2.gz	HKJDQXJMILWIEM-UHFFFAOYSA-N	-1	0	261.071	1.405	40	0		CDABRM
Cc1nn(C)cc1[C@@H](C)NC(=O)[C@H]1CCCC[C@@H]1C(=O)[O-]	ZINC000006921538	302797787	/nfs/dbraw/zinc/79/77/87/302797787.db2.gz	DQTGBGFJIIYTMY-USWWRNFRSA-N	-1	0	293.367	1.797	40	0		CDABRM
O=C([O-])NC[C@H](O)c1cccc(Br)c1	ZINC000521825115	333210611	/nfs/dbraw/zinc/21/06/11/333210611.db2.gz	ILZHKLZRVVIQEM-QMMMGPOBSA-N	-1	0	260.087	1.750	40	0		CDABRM
O=C([O-])[C@H]1CS[C@H](Cc2ccc(Cl)cc2)C(=O)N1	ZINC000062712123	526333125	/nfs/dbraw/zinc/33/31/25/526333125.db2.gz	IGMGSHIQVNTTMM-NXEZZACHSA-N	-1	0	285.752	1.567	40	0		CDABRM
O=C([O-])C1CCN(Cc2noc(C3CC3)n2)CC1	ZINC000049337764	527565631	/nfs/dbraw/zinc/56/56/31/527565631.db2.gz	SAMLQSXMVNLSJY-UHFFFAOYSA-N	-1	0	251.286	1.244	40	0		CDABRM
COCc1cc(N2CCC[C@H](C(=O)[O-])C2)nc(C2CC2)n1	ZINC000096516941	536725088	/nfs/dbraw/zinc/72/50/88/536725088.db2.gz	BTMSXQRRNBSOPZ-NSHDSACASA-N	-1	0	291.351	1.801	40	0		CDABRM
Cn1cc([C@@H]2C[C@H](C(=O)[O-])CN(C(=O)C3(C)CC3)C2)cn1	ZINC000868454060	726223904	/nfs/dbraw/zinc/22/39/04/726223904.db2.gz	XLNAENTXGDOEGX-MNOVXSKESA-N	-1	0	291.351	1.237	40	0		CDABRM
C[C@@H](C(=O)[O-])[C@](O)(Cn1cncn1)c1ccc(F)cc1F	ZINC000034126368	295804335	/nfs/dbraw/zinc/80/43/35/295804335.db2.gz	QUOMTGYGYQRSMC-ISVAXAHUSA-N	-1	0	297.261	1.165	40	0	in-vitro	CDABRM
O=C([O-])[C@H]1C(=O)NC[C@@H]1c1cccc2ccccc21	ZINC000256050036	350908805	/nfs/dbraw/zinc/90/88/05/350908805.db2.gz	CKLDLZGMCMAFFZ-CHWSQXEVSA-N	-1	0	255.273	1.754	40	0		CDABRM
CC(C)(C)c1ccc([C@@H]2CNC(=O)[C@H]2C(=O)[O-])cc1	ZINC000256055019	350909501	/nfs/dbraw/zinc/90/95/01/350909501.db2.gz	YVBIPAMGEIVXOI-RYUDHWBXSA-N	-1	0	261.321	1.898	40	0		CDABRM
CN(CC(=O)[O-])c1ccc(I)cc1	ZINC000166288970	188636084	/nfs/dbraw/zinc/63/60/84/188636084.db2.gz	PEJMCARPIWMNPM-UHFFFAOYSA-N	-1	0	291.088	1.812	40	0		CDABRM
Cc1cccc(NC(=O)[C@@H]2[C@@H](C(=O)[O-])[C@H]3C=C[C@@H]2O3)c1C	ZINC000000417953	355911133	/nfs/dbraw/zinc/91/11/33/355911133.db2.gz	BJWYYOGYFQTPEZ-CRWXNKLISA-N	-1	0	287.315	1.896	40	0		CDABRM
Cc1cc(NC(=O)CSc2ncccc2C(=O)[O-])no1	ZINC000000931233	355924415	/nfs/dbraw/zinc/92/44/15/355924415.db2.gz	HTVGDFKJXWTNPU-UHFFFAOYSA-N	-1	0	293.304	1.807	40	0		CDABRM
O=C([O-])CN(c1ccccc1)c1nc(=S)[nH]c(=S)[nH]1	ZINC000002583815	355975894	/nfs/dbraw/zinc/97/58/94/355975894.db2.gz	DAKZRRQKYYSXNF-UHFFFAOYSA-N	-1	0	294.361	1.672	40	0		CDABRM
CC(C)(O)C1=CC[C@@]23CO[C@@H](C2)[C@](O)(C(=O)[O-])CC[C@@H]13	ZINC000229938210	356319295	/nfs/dbraw/zinc/31/92/95/356319295.db2.gz	LKOCXGZSSYQSLN-GVARAGBVSA-N	-1	0	282.336	1.088	40	0	biogenic,in-vitro	CDABRM
CC(C)CCNc1ccc(S(N)(=O)=O)cc1C(=O)[O-]	ZINC000013276984	356341424	/nfs/dbraw/zinc/34/14/24/356341424.db2.gz	MOLNIONLNXLZDI-UHFFFAOYSA-N	-1	0	286.353	1.490	40	0		CDABRM
Cc1cc(N2CCC(CC(=O)[O-])CC2)nc2nn(C)cc21	ZINC000012398940	356680691	/nfs/dbraw/zinc/68/06/91/356680691.db2.gz	GKXXZXZYMBYPJL-UHFFFAOYSA-N	-1	0	288.351	1.968	40	0		CDABRM
CCOc1ccc(-c2nc(C(=O)[O-])cc(=O)[nH]2)cc1	ZINC000049470053	357217399	/nfs/dbraw/zinc/21/73/99/357217399.db2.gz	HZFDDUCJBBLCLW-UHFFFAOYSA-N	-1	0	260.249	1.534	40	0		CDABRM
O=C([O-])C[C@H]1CN(C(=O)OCc2ccccc2)CCO1	ZINC000084193063	358228439	/nfs/dbraw/zinc/22/84/39/358228439.db2.gz	UAIWDGIRSHDAGD-LBPRGKRZSA-N	-1	0	279.292	1.499	40	0		CDABRM
Cc1ccc(F)c(NC(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)[O-])c1	ZINC000006725417	358861829	/nfs/dbraw/zinc/86/18/29/358861829.db2.gz	FFLRQQBZCLWZDY-XQHKEYJVSA-N	-1	0	293.294	1.951	40	0		CDABRM
CC(=O)CC(=O)c1c([O-])c2ccccc2n(C)c1=O	ZINC000101408834	358844714	/nfs/dbraw/zinc/84/47/14/358844714.db2.gz	WIFXDCATTOYYQV-UHFFFAOYSA-N	-1	0	259.261	1.406	40	0		CDABRM
O=C([O-])C1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1	ZINC000019279880	358957496	/nfs/dbraw/zinc/95/74/96/358957496.db2.gz	JTWBHAYZYFGQRB-CYBMUJFWSA-N	-1	0	291.303	1.150	40	0		CDABRM
CCOc1ccccc1[C@@H]1OC(=O)C[C@@H]1C(=O)[O-]	ZINC000085394561	359069542	/nfs/dbraw/zinc/06/95/42/359069542.db2.gz	FFVOOPRAODNBTF-CABZTGNLSA-N	-1	0	250.250	1.774	40	0		CDABRM
C[C@H](C(=O)[O-])N(C)S(=O)(=O)c1sccc1Cl	ZINC000263261628	359251339	/nfs/dbraw/zinc/25/13/39/359251339.db2.gz	WKELTDHLWUTTLX-RXMQYKEDSA-N	-1	0	283.758	1.495	40	0		CDABRM
CC(C)C(=O)NC(=S)Nc1ccc(O)c(C(=O)[O-])c1	ZINC000226354523	360694899	/nfs/dbraw/zinc/69/48/99/360694899.db2.gz	UFSWXLKZICISDQ-UHFFFAOYSA-N	-1	0	282.321	1.559	40	0		CDABRM
CCS(=O)(=O)[C@@H]1[C@@H](c2ccc(Cl)cc2)[C@H]1C(=O)[O-]	ZINC000218375739	366725070	/nfs/dbraw/zinc/72/50/70/366725070.db2.gz	KHOFEQXEGIVQQE-HBNTYKKESA-N	-1	0	288.752	1.941	40	0		CDABRM
C[C@@H]1CC[C@H](CCC(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])O1	ZINC000237386950	361409593	/nfs/dbraw/zinc/40/95/93/361409593.db2.gz	NDBMWOOLDOPAMM-WISYIIOYSA-N	-1	0	269.341	1.704	40	0		CDABRM
COc1cccc(-c2cc(=O)n3nc(C)[n-]c3n2)c1	ZINC000010338623	365074020	/nfs/dbraw/zinc/07/40/20/365074020.db2.gz	UPJCMGUFYWUDDM-UHFFFAOYSA-N	-1	0	256.265	1.402	40	0		CDABRM
CCS(=O)(=O)[C@H]1[C@@H](C(=O)[O-])[C@@H]1c1ccc(F)cc1	ZINC000218424192	368573682	/nfs/dbraw/zinc/57/36/82/368573682.db2.gz	XZUXFHCEUDLFLX-GARJFASQSA-N	-1	0	272.297	1.427	40	0		CDABRM
CCOC(=O)c1c(N)sc2c1C[C@H](C(=O)[O-])C2	ZINC000217900269	375757535	/nfs/dbraw/zinc/75/75/35/375757535.db2.gz	WZKBNFLPROXZPT-YFKPBYRVSA-N	-1	0	255.295	1.306	40	0		CDABRM
O=C([O-])c1ccccc1-n1cc(Cn2cncn2)cn1	ZINC000257256260	190021411	/nfs/dbraw/zinc/02/14/11/190021411.db2.gz	KKSIRGRMPGBPLG-UHFFFAOYSA-N	-1	0	269.264	1.210	40	0		CDABRM
CC(C)Oc1cncc(C(=O)NCCC(=O)[O-])c1	ZINC000190598538	377900993	/nfs/dbraw/zinc/90/09/93/377900993.db2.gz	IWRZLOIHIXKFDW-UHFFFAOYSA-N	-1	0	252.270	1.073	40	0		CDABRM
O=C([O-])[C@H]1[C@@H]2C=C[C@@H](O2)[C@H]1C(=O)N1CCCc2ccccc21	ZINC000006341661	304210059	/nfs/dbraw/zinc/21/00/59/304210059.db2.gz	UGKVJBVINLMYGE-BARDWOONSA-N	-1	0	299.326	1.620	40	0		CDABRM
Cc1ccc(-c2cc(=O)n(CC(=O)[O-])c(C)n2)cc1	ZINC000096531038	390540971	/nfs/dbraw/zinc/54/09/71/390540971.db2.gz	WBLLTMQBULGQCU-UHFFFAOYSA-N	-1	0	258.277	1.612	40	0		CDABRM
Cc1nnnn1[C@H](Cc1cccc(Cl)c1)C(=O)[O-]	ZINC000072221053	390622123	/nfs/dbraw/zinc/62/21/23/390622123.db2.gz	KAZBMHGAVWFSGP-SNVBAGLBSA-N	-1	0	266.688	1.503	40	0		CDABRM
Cn1c(SCC(=O)[O-])nnc1-c1ccc(O)cc1	ZINC000004130210	169936092	/nfs/dbraw/zinc/93/60/92/169936092.db2.gz	SBUMIDFSJMIBFA-UHFFFAOYSA-N	-1	0	265.294	1.364	40	0		CDABRM
Cc1c(C(=O)CCC(=O)[O-])c(=O)n(-c2ccccc2)n1C	ZINC000005724080	170133303	/nfs/dbraw/zinc/13/33/03/170133303.db2.gz	AIMJSPMGOHTLIE-UHFFFAOYSA-N	-1	0	288.303	1.532	40	0		CDABRM
Cc1nccn1C(=O)[N-]S(=O)(=O)c1ccc(C)cc1	ZINC000006244507	170185193	/nfs/dbraw/zinc/18/51/93/170185193.db2.gz	DNFXJLRSBBGBFJ-UHFFFAOYSA-N	-1	0	279.321	1.447	40	0		CDABRM
O=C([O-])c1cc(NC(=O)c2cccnc2)ccc1O	ZINC000020143460	171028868	/nfs/dbraw/zinc/02/88/68/171028868.db2.gz	DVIMKPPMJAQVOR-UHFFFAOYSA-N	-1	0	258.233	1.738	40	0		CDABRM
COc1ccc2oc(N[C@@H]3C[C@H](C(=O)[O-])C[C@H]3O)nc2c1	ZINC000662899078	413680910	/nfs/dbraw/zinc/68/09/10/413680910.db2.gz	XEKTYDDVGMPUIR-JVUFJMBOSA-N	-1	0	292.291	1.472	40	0		CDABRM
COc1ccccc1N1C(=O)S[C@@H](CC(=O)[O-])C1=O	ZINC000036635205	172643052	/nfs/dbraw/zinc/64/30/52/172643052.db2.gz	JQJCXHSEAZEKLQ-VIFPVBQESA-N	-1	0	281.289	1.738	40	0		CDABRM
COc1ccccc1C[C@@H](C(=O)[O-])N1CCOCC1	ZINC000041380416	174538863	/nfs/dbraw/zinc/53/88/63/174538863.db2.gz	LVPOEWNHKPNWTG-LBPRGKRZSA-N	-1	0	265.309	1.023	40	0		CDABRM
O=C([O-])CN1CCN(c2cccc(Cl)c2)C1=O	ZINC000075703151	176757102	/nfs/dbraw/zinc/75/71/02/176757102.db2.gz	DBYBUVVLEAZSLX-UHFFFAOYSA-N	-1	0	254.673	1.667	40	0		CDABRM
O=C([O-])CCn1nnc(-c2cccc(Br)c2)n1	ZINC000076570379	177040460	/nfs/dbraw/zinc/04/04/60/177040460.db2.gz	XXAATTBWMOQTIC-UHFFFAOYSA-N	-1	0	297.112	1.577	40	0		CDABRM
COc1ccc(O)c(C(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C)c1	ZINC000263488739	295165557	/nfs/dbraw/zinc/16/55/57/295165557.db2.gz	IANYQNAREAYVLV-VHSXEESVSA-N	-1	0	293.319	1.726	40	0		CDABRM
C[C@@]12C=C[C@@H](O1)[C@@H](C(=O)[O-])[C@H]2C(=O)Nc1ccccc1F	ZINC000409375801	297928554	/nfs/dbraw/zinc/92/85/54/297928554.db2.gz	PKOYKKYMEDDHEY-FJJYHAOUSA-N	-1	0	291.278	1.809	40	0		CDABRM
Cc1cnc(N2CCCC[C@H]2C(=O)[O-])nc1Cl	ZINC000072203050	302348965	/nfs/dbraw/zinc/34/89/65/302348965.db2.gz	UITHREIUENPVIT-QMMMGPOBSA-N	-1	0	255.705	1.882	40	0		CDABRM
N=c1[n-]nc(-c2cc3n(n2)[C@@H](C(F)(F)F)CCN3)s1	ZINC000408717471	303233526	/nfs/dbraw/zinc/23/35/26/303233526.db2.gz	BOXWKTXKPNAZIQ-RXMQYKEDSA-N	-1	0	290.274	1.733	40	0		CDABRM
CCN(C[C@H]1CCCO1)C(=O)c1ccc(C(=O)[O-])c(C)n1	ZINC000048968912	521267665	/nfs/dbraw/zinc/26/76/65/521267665.db2.gz	ULRGDNUKWSDETR-LLVKDONJSA-N	-1	0	292.335	1.729	40	0		CDABRM
CN1C(=O)C[C@](C)(C(=O)[O-])c2cc(F)cc(F)c21	ZINC000062712452	523711900	/nfs/dbraw/zinc/71/19/00/523711900.db2.gz	MNOBEFQMAGUHHD-LBPRGKRZSA-N	-1	0	255.220	1.674	40	0		CDABRM
COc1ccc(Cl)c2c(=O)c(C(=O)[O-])cn(C)c12	ZINC000062663953	524189162	/nfs/dbraw/zinc/18/91/62/524189162.db2.gz	UGZOZTVKQKHMON-UHFFFAOYSA-N	-1	0	267.668	1.899	40	0		CDABRM
O=C([O-])[C@@H]1CS[C@H](Cc2cccc(Cl)c2)C(=O)N1	ZINC000062712103	526288912	/nfs/dbraw/zinc/28/89/12/526288912.db2.gz	XAJGLNRIUDZGSF-VHSXEESVSA-N	-1	0	285.752	1.567	40	0		CDABRM
O=C([O-])Cc1csc(NC(=O)[C@H]2CCCOC2)n1	ZINC000054768315	527640920	/nfs/dbraw/zinc/64/09/20/527640920.db2.gz	UMQQUIPRIYHOKW-ZETCQYMHSA-N	-1	0	270.310	1.135	40	0		CDABRM
O=C([O-])[C@H]1CCCCN1C(=O)Cc1cnn2c1CCCC2	ZINC000901495420	624299009	/nfs/dbraw/zinc/29/90/09/624299009.db2.gz	GKMNLCFRTBIPHK-CYBMUJFWSA-N	-1	0	291.351	1.228	40	0		CDABRM
CC(C)OCCCNC(=O)C1=C(C(=O)[O-])CCCC1	ZINC000199410733	728554744	/nfs/dbraw/zinc/55/47/44/728554744.db2.gz	GRZKFVDHJTVFKD-UHFFFAOYSA-N	-1	0	269.341	1.873	40	0		CDABRM
CCCCC(=O)NNC(=O)CC[C@@H](CC)C(=O)[O-]	ZINC000026808048	1165704993	/nfs/dbraw/zinc/70/49/93/1165704993.db2.gz	ITLLMYSJYIHBFL-SECBINFHSA-N	-1	0	258.318	1.215	40	0		CDABRM
COCCOc1nn(C)c2cc(C(=O)[O-])ccc21	ZINC000225772079	230399715	/nfs/dbraw/zinc/39/97/15/230399715.db2.gz	AGSZSOGXIZBKQQ-UHFFFAOYSA-N	-1	0	250.254	1.297	40	0		CDABRM
O=C(c1ccccc1)[C@H]1N[C@@H]2CCCC[C@H]2NC1=O	ZINC000016989808	342536436	/nfs/dbraw/zinc/53/64/36/342536436.db2.gz	RXMIBZMRERTJDQ-JHJVBQTASA-N	-1	0	258.321	1.269	40	0		CDABRM
COc1ccc(-c2cc(C(=O)[O-])c(=O)n(C)n2)cc1	ZINC000082453462	178031932	/nfs/dbraw/zinc/03/19/32/178031932.db2.gz	ZZXUWHLOATULBI-UHFFFAOYSA-N	-1	0	260.249	1.154	40	0		CDABRM
CS(=O)(=O)c1nnc(-c2ccc(Cl)cc2)[n-]1	ZINC000000350829	362067103	/nfs/dbraw/zinc/06/71/03/362067103.db2.gz	KQEUMRKSVSIXRZ-UHFFFAOYSA-N	-1	0	257.702	1.529	40	0		CDABRM
CCOc1ccc([C@@H]2OC(=O)C[C@H]2C(=O)[O-])cc1OC	ZINC000085394817	179049200	/nfs/dbraw/zinc/04/92/00/179049200.db2.gz	IXTFDARLIDACQL-RNCFNFMXSA-N	-1	0	280.276	1.783	40	0		CDABRM
CNS(=O)(=O)c1cc(C(=O)[O-])ccc1N1CCCCC1	ZINC000036720835	290788413	/nfs/dbraw/zinc/78/84/13/290788413.db2.gz	RIQPWVDEYQYZNW-UHFFFAOYSA-N	-1	0	298.364	1.283	40	0		CDABRM
C[C@@H](CC(=O)[O-])N1CCN(CC(F)(F)F)CC1	ZINC000061941654	362953057	/nfs/dbraw/zinc/95/30/57/362953057.db2.gz	OOIFWLBNSADGHP-QMMMGPOBSA-N	-1	0	254.252	1.030	40	0		CDABRM
C[C@H](NC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)[O-])c1ccncc1	ZINC000157756318	299219130	/nfs/dbraw/zinc/21/91/30/299219130.db2.gz	JYUHZEVRAUKQCN-BQQXIIOZSA-N	-1	0	286.331	1.782	40	0		CDABRM
CCCC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)[O-]	ZINC000002701245	358498204	/nfs/dbraw/zinc/49/82/04/358498204.db2.gz	MUUBLAGHAQPZCI-JTQLQIEISA-N	-1	0	289.328	1.747	40	0		CDABRM
CC[C@H](C)[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)[O-]	ZINC000001594007	355940641	/nfs/dbraw/zinc/94/06/41/355940641.db2.gz	BONOQNDSZHYLAR-CMPLNLGQSA-N	-1	0	285.365	1.605	40	0		CDABRM
O=C([O-])[C@H]1[C@@H]2C=C[C@@H](O2)[C@H]1C(=O)NCC1CCCCC1	ZINC000035897775	356053878	/nfs/dbraw/zinc/05/38/78/356053878.db2.gz	UWOWKGPJBKLTCL-XQHKEYJVSA-N	-1	0	279.336	1.337	40	0		CDABRM
CC(=O)N[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)[O-]	ZINC000019721312	356496630	/nfs/dbraw/zinc/49/66/30/356496630.db2.gz	SZKGWNHMAJBPFY-SNVBAGLBSA-N	-1	0	275.226	1.837	40	0		CDABRM
COc1ccccc1OCc1ncc(C(=O)[O-])cn1	ZINC000049468352	357215750	/nfs/dbraw/zinc/21/57/50/357215750.db2.gz	TYNKPPJBRWLIJP-UHFFFAOYSA-N	-1	0	260.249	1.762	40	0		CDABRM
O=C([O-])[C@H]1CCCN(c2ccc(=O)n(-c3ccccc3)n2)C1	ZINC000096517258	357522361	/nfs/dbraw/zinc/52/23/61/357522361.db2.gz	PHGZELCCEBSTKM-LBPRGKRZSA-N	-1	0	299.330	1.534	40	0		CDABRM
Cc1nc(C(=O)N2CCC[C@@H](C(=O)[O-])C2)c(C)s1	ZINC000082243435	358151207	/nfs/dbraw/zinc/15/12/07/358151207.db2.gz	LPXNTNRXGRWOHU-SECBINFHSA-N	-1	0	268.338	1.697	40	0		CDABRM
O=C([O-])[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C(=O)NCCCn1ccnc1	ZINC000013147279	366450132	/nfs/dbraw/zinc/45/01/32/366450132.db2.gz	QHIQFAKVHWJIMJ-RNJOBUHISA-N	-1	0	291.351	1.136	40	0		CDABRM
Cc1ccc(C)c([C@H]2N[C@@H](C(=O)[O-])Cc3[nH]cnc32)c1	ZINC000096300025	358731539	/nfs/dbraw/zinc/73/15/39/358731539.db2.gz	GIMWETWRDANASG-CHWSQXEVSA-N	-1	0	271.320	1.715	40	0		CDABRM
CCOC(=O)C(=C(C)[O-])C(=O)c1ccc(F)cc1	ZINC000100206746	358822654	/nfs/dbraw/zinc/82/26/54/358822654.db2.gz	DFMUUSKTWLWWMV-NSHDSACASA-N	-1	0	252.241	1.777	40	0		CDABRM
CCc1ccccc1N1C(=O)C[C@@H](SCC(=O)[O-])C1=O	ZINC000100855878	358836278	/nfs/dbraw/zinc/83/62/78/358836278.db2.gz	HDPRXQSZNTUFFH-LLVKDONJSA-N	-1	0	293.344	1.699	40	0		CDABRM
Cc1nc2n(n1)[C@H](c1cccc(O)c1)CC(C(=O)[O-])=N2	ZINC000102278324	358873328	/nfs/dbraw/zinc/87/33/28/358873328.db2.gz	UIJDIMYQHTZTOL-NSHDSACASA-N	-1	0	272.264	1.276	40	0		CDABRM
COc1ccc(-c2nnc(NC(=O)/C=C\C(=O)[O-])o2)cc1	ZINC000215866896	358906453	/nfs/dbraw/zinc/90/64/53/358906453.db2.gz	UVEFFVXGTVLMQB-SREVYHEPSA-N	-1	0	289.247	1.325	40	0		CDABRM
O=C([O-])[C@H]1CN[C@H](c2cc3c(cc2Cl)OCO3)S1	ZINC000408976486	295988746	/nfs/dbraw/zinc/98/87/46/295988746.db2.gz	FSXLKURSWFYHNN-ZJUUUORDSA-N	-1	0	287.724	1.857	40	0		CDABRM
O=C([O-])[C@@H]1C2CCC(CC2)[C@@H]1C(=O)N[C@@H]1CCSC1=O	ZINC000017024281	304097607	/nfs/dbraw/zinc/09/76/07/304097607.db2.gz	SBGCWHCFBZJHPT-WFHLCSITSA-N	-1	0	297.376	1.272	40	0		CDABRM
Cc1cc(F)ccc1C(=O)N[C@@H](C)[C@H](C)C(=O)[O-]	ZINC000132924692	361299181	/nfs/dbraw/zinc/29/91/81/361299181.db2.gz	BHOYJYIVMHROBH-IUCAKERBSA-N	-1	0	253.273	1.973	40	0		CDABRM
O=C([O-])CN1C(=O)S/C(=C/c2ccoc2)C1=O	ZINC000409125471	363916320	/nfs/dbraw/zinc/91/63/20/363916320.db2.gz	FQEJXDJETJDQGR-XVNBXDOJSA-N	-1	0	253.235	1.401	40	0		CDABRM
Cc1nc2cc(NC(=O)N=c3[n-]ncs3)ccc2n1C	ZINC000409148928	363928282	/nfs/dbraw/zinc/92/82/82/363928282.db2.gz	UQBHIUHRFCNSLZ-UHFFFAOYSA-N	-1	0	288.336	1.799	40	0		CDABRM
CCNc1ccc(C(=O)[O-])cc1S(=O)(=O)NCC	ZINC000217703076	189711473	/nfs/dbraw/zinc/71/14/73/189711473.db2.gz	FDOQJJJKZQYCFW-UHFFFAOYSA-N	-1	0	272.326	1.115	40	0		CDABRM
Cc1cnn2c1nc(-c1ccnn1C)cc2C(=O)[O-]	ZINC000095098670	372356369	/nfs/dbraw/zinc/35/63/69/372356369.db2.gz	UZVWJISXEKKVFR-UHFFFAOYSA-N	-1	0	257.253	1.136	40	0		CDABRM
O=C([O-])[C@H](c1ccccc1)[C@@H](O)[C@@]1(O)CC=CCC1	ZINC000005664856	304174175	/nfs/dbraw/zinc/17/41/75/304174175.db2.gz	UOBIHZJUWDKZDT-UMVBOHGHSA-N	-1	0	262.305	1.687	40	0		CDABRM
Cn1c2ccc(Cl)cc2nc1[C@H](O)CC(=O)[O-]	ZINC000064874423	374240956	/nfs/dbraw/zinc/24/09/56/374240956.db2.gz	HMQRYFLHIXKSTI-SECBINFHSA-N	-1	0	254.673	1.735	40	0		CDABRM
O=C(c1csc([N-]c2ncccn2)n1)N1CCCC1	ZINC000056907609	375385731	/nfs/dbraw/zinc/38/57/31/375385731.db2.gz	GWYUZEKAJTVZGY-UHFFFAOYSA-N	-1	0	275.337	1.913	40	0		CDABRM
O=C([O-])[C@H]1Cc2[nH]cnc2[C@H](c2ccccc2F)N1	ZINC000005819137	304205776	/nfs/dbraw/zinc/20/57/76/304205776.db2.gz	KAYJYJAACIEUHJ-MNOVXSKESA-N	-1	0	261.256	1.237	40	0		CDABRM
C[C@@H]1CCCN(C(=O)[C@@H]2CCCOC2)[C@@H]1C(=O)[O-]	ZINC000235369252	296374719	/nfs/dbraw/zinc/37/47/19/296374719.db2.gz	RIAWKBOUZWNOPG-MXWKQRLJSA-N	-1	0	255.314	1.125	40	0		CDABRM
COc1ccc(-c2cc(=O)n(CC(=O)[O-])c(C)n2)cc1	ZINC000096531032	390540652	/nfs/dbraw/zinc/54/06/52/390540652.db2.gz	HFEXNKQMHOQMRH-UHFFFAOYSA-N	-1	0	274.276	1.312	40	0		CDABRM
CCCn1cc(C(=O)[O-])c(I)n1	ZINC000408717724	391110574	/nfs/dbraw/zinc/11/05/74/391110574.db2.gz	QHRSBVGGWONAPK-UHFFFAOYSA-N	-1	0	280.065	1.596	40	0		CDABRM
CC(C)[C@H]([NH2+]Cc1ccc(OCC(=O)[O-])cc1)C(=O)[O-]	ZINC000062716881	391565004	/nfs/dbraw/zinc/56/50/04/391565004.db2.gz	DVNCQTURPMDJDV-ZDUSSCGKSA-N	-1	0	281.308	1.349	40	0		CDABRM
O=C([O-])c1ccc(C(=O)N2CC[C@@H]3CCC[C@@H]32)nc1	ZINC000378757141	391846513	/nfs/dbraw/zinc/84/65/13/391846513.db2.gz	YQCRULMDDDSEHG-CABZTGNLSA-N	-1	0	260.293	1.794	40	0		CDABRM
O=C([O-])[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)Nc1ccccn1	ZINC000003096436	169855026	/nfs/dbraw/zinc/85/50/26/169855026.db2.gz	CDNKPIRXQQWJCC-QCMRWSPLSA-N	-1	0	258.277	1.543	40	0		CDABRM
O=C([O-])CN1C(=O)N/C(=C/c2ccc(Cl)s2)C1=O	ZINC000005018826	170056495	/nfs/dbraw/zinc/05/64/95/170056495.db2.gz	TYRACJURXWZAHG-ZZXKWVIFSA-N	-1	0	286.696	1.379	40	0		CDABRM
CCc1nnc(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])s1	ZINC000005318741	170085667	/nfs/dbraw/zinc/08/56/67/170085667.db2.gz	LEJGNWYTMKHNJO-KKHAAJSZSA-N	-1	0	293.348	1.562	40	0		CDABRM
CCn1cc(C(=O)[O-])c(=O)c2ccc(-c3c[nH]nc3C)nc21	ZINC000005386138	170093511	/nfs/dbraw/zinc/09/35/11/170093511.db2.gz	UZIMRNUJGBYBLW-UHFFFAOYSA-N	-1	0	298.302	1.813	40	0		CDABRM
C[C@@H](NC(=O)c1ccccc1NC(=O)C(C)(C)C)C(=O)[O-]	ZINC000005881206	170149801	/nfs/dbraw/zinc/14/98/01/170149801.db2.gz	KZOCUTIHGALKKF-SECBINFHSA-N	-1	0	292.335	1.874	40	0		CDABRM
CCCCS(=O)(=O)Nc1ccccc1C(=O)[O-]	ZINC000011736417	170437118	/nfs/dbraw/zinc/43/71/18/170437118.db2.gz	XNKSPLFZETYEMP-UHFFFAOYSA-N	-1	0	257.311	1.927	40	0		CDABRM
CCCCCNS(=O)(=O)c1cccc(C(=O)[O-])c1	ZINC000011920534	170459076	/nfs/dbraw/zinc/45/90/76/170459076.db2.gz	VBPNEKPTPIHZIL-UHFFFAOYSA-N	-1	0	271.338	1.853	40	0		CDABRM
CCCCN(C(=S)[S-])[C@@H]1CCS(=O)(=O)C1	ZINC000012173833	170471762	/nfs/dbraw/zinc/47/17/62/170471762.db2.gz	CRCWESIXSDXEQV-MRVPVSSYSA-N	-1	0	267.441	1.490	40	0		CDABRM
O=C([O-])c1sccc1S(=O)(=O)NCc1ccccn1	ZINC000015424119	170665927	/nfs/dbraw/zinc/66/59/27/170665927.db2.gz	GTWKDGQNVKGIHG-UHFFFAOYSA-N	-1	0	298.345	1.320	40	0		CDABRM
CCc1nc(SCc2ccc(C(=O)[O-])o2)n[nH]1	ZINC000020395210	171181072	/nfs/dbraw/zinc/18/10/72/171181072.db2.gz	VWYZWJQREPQKNB-UHFFFAOYSA-N	-1	0	253.283	1.951	40	0		CDABRM
CCOC(=O)C1=NN(c2ccc(C)c(C)c2)[C@@H](C(=O)[O-])C1	ZINC000071979290	176307647	/nfs/dbraw/zinc/30/76/47/176307647.db2.gz	BGISSHQGMVHMOW-CYBMUJFWSA-N	-1	0	290.319	1.886	40	0		CDABRM
CC1(C)CC(NC(=O)/C=C/C(=O)[O-])CC(C)(C)N1O	ZINC000096068558	280905929	/nfs/dbraw/zinc/90/59/29/280905929.db2.gz	FWJGXYBGWKEYAI-AATRIKPKSA-N	-1	0	270.329	1.154	40	0		CDABRM
C[C@H]1c2nc(C(=O)[O-])cn2CCN1C(=O)OC(C)(C)C	ZINC000306131345	300716554	/nfs/dbraw/zinc/71/65/54/300716554.db2.gz	KCEVXHWBGUZWKF-QMMMGPOBSA-N	-1	0	281.312	1.893	40	0		CDABRM
Cc1cc(C(=O)N2CCCC[C@@H]2C(=O)[O-])c(C)o1	ZINC000004917466	301089029	/nfs/dbraw/zinc/08/90/29/301089029.db2.gz	JNFGVSXFMSQALS-LLVKDONJSA-N	-1	0	251.282	1.976	40	0		CDABRM
Cc1cc(C)cc(NC(=O)[C@H]2[C@H]3C=C[C@H](O3)[C@@H]2C(=O)[O-])c1	ZINC000004175284	301226950	/nfs/dbraw/zinc/22/69/50/301226950.db2.gz	HZGCKDDXNQCAME-RFGFWPKPSA-N	-1	0	287.315	1.896	40	0		CDABRM
Cc1cc2nc3c(c(=O)n2[n-]1)CCC1(CC3)OCCO1	ZINC000257330641	301462748	/nfs/dbraw/zinc/46/27/48/301462748.db2.gz	XPGZHOYTXPSCLV-UHFFFAOYSA-N	-1	0	275.308	1.365	40	0		CDABRM
Cn1ncc2c1CCC[C@@H]2NC(=O)c1ccccc1C(=O)[O-]	ZINC000072242496	303056348	/nfs/dbraw/zinc/05/63/48/303056348.db2.gz	VHVGUIUARJDAFF-ZDUSSCGKSA-N	-1	0	299.330	1.926	40	0		CDABRM
COC(=O)/C(C)=C/C=C/C[C@H](C)[C@H](O)CC(=O)[O-]	ZINC000514288170	330463137	/nfs/dbraw/zinc/46/31/37/330463137.db2.gz	SJGQDRGIIKTZAH-SOAFNGGUSA-N	-1	0	256.298	1.524	40	0	biogenic,in-vitro	CDABRM
CC1(C)C[C@H]2C=C(C(=O)[O-])[C@@H]3C[C@H](O)[C@@](C)(O)[C@@]32C1	ZINC000031162496	1165717646	/nfs/dbraw/zinc/71/76/46/1165717646.db2.gz	OMRLJECTMKPHFG-QLJZMFCRSA-N	-1	0	266.337	1.565	40	0	biogenic,in-vitro	CDABRM
CC(C)(C)OC(=O)N1CC[C@H](C(F)(F)C(=O)[O-])C1	ZINC000258482072	1166531266	/nfs/dbraw/zinc/53/12/66/1166531266.db2.gz	JTQBZERVEIEJCV-ZETCQYMHSA-N	-1	0	265.256	1.963	40	0		CDABRM
C[C@@]12C=C[C@@H](O1)[C@H](C(=O)[O-])[C@@H]2C(=O)Nc1cccnc1	ZINC000409376259	230413690	/nfs/dbraw/zinc/41/36/90/230413690.db2.gz	WLQMLBIUPVZETO-DEKYYXRVSA-N	-1	0	274.276	1.064	40	0		CDABRM
O=C([O-])c1csc(Cc2ccc3c(c2)CC(=O)N3)n1	ZINC000082585477	178120832	/nfs/dbraw/zinc/12/08/32/178120832.db2.gz	XWIOSXJHNIOKSX-UHFFFAOYSA-N	-1	0	274.301	1.927	40	0		CDABRM
C[C@@H]1C(=O)CC[C@H]1CC(=O)N=c1cc(C(F)(F)F)[n-][nH]1	ZINC000330107741	362147840	/nfs/dbraw/zinc/14/78/40/362147840.db2.gz	MOLWMEOKIJWEAC-BQBZGAKWSA-N	-1	0	289.257	1.794	40	0		CDABRM
COc1ccc([C@@H](NC(=O)OC(C)(C)C)C(=O)[O-])cn1	ZINC000158308115	188369098	/nfs/dbraw/zinc/36/90/98/188369098.db2.gz	SVYKEMMRKMUPNR-SNVBAGLBSA-N	-1	0	282.296	1.741	40	0		CDABRM
Cc1ccc(NC(=O)c2snc3c2[n-]cnc3=O)cc1	ZINC000006493770	363350527	/nfs/dbraw/zinc/35/05/27/363350527.db2.gz	WRKKUXFKJBLHLD-UHFFFAOYSA-N	-1	0	286.316	1.940	40	0		CDABRM
O=C([O-])C1CCN(c2nc(C(F)(F)F)cc(=O)[nH]2)CC1	ZINC000057342895	304042260	/nfs/dbraw/zinc/04/22/60/304042260.db2.gz	RPOFKXOJMIXZGZ-UHFFFAOYSA-N	-1	0	291.229	1.090	40	0		CDABRM
COc1ccc(C(=O)CCCC(=O)[O-])c(OC)c1O	ZINC000001706075	355948650	/nfs/dbraw/zinc/94/86/50/355948650.db2.gz	UQWLZOWDWPYPRL-UHFFFAOYSA-N	-1	0	268.265	1.847	40	0		CDABRM
CCc1nn([C@H](C)C(=O)[O-])c(=O)c2cc3oc(C)cc3n21	ZINC000012115529	356287760	/nfs/dbraw/zinc/28/77/60/356287760.db2.gz	XGJWGKISKGBCRP-MRVPVSSYSA-N	-1	0	289.291	1.759	40	0		CDABRM
[NH3+][C@H](C[C@@H](Cc1ccc2ccccc2c1)C(=O)[O-])C(=O)[O-]	ZINC000012650337	356315841	/nfs/dbraw/zinc/31/58/41/356315841.db2.gz	YDWIUFASTTZKNI-ZIAGYGMSSA-N	-1	0	287.315	1.885	40	0		CDABRM
Cn1c2ccccc2nc1N1N=C(C(=O)[O-])CCC1=O	ZINC000017043840	356453049	/nfs/dbraw/zinc/45/30/49/356453049.db2.gz	DKCYUNJHAPAAFG-UHFFFAOYSA-N	-1	0	272.264	1.141	40	0		CDABRM
COCCc1nc(N)cc(Nc2cccc(C(=O)[O-])c2)n1	ZINC000049467791	357215882	/nfs/dbraw/zinc/21/58/82/357215882.db2.gz	QDOOSWYARYGULU-UHFFFAOYSA-N	-1	0	288.307	1.690	40	0		CDABRM
CC(C)(C)OC(=O)N1Cc2nc[nH]c2C[C@@H]1C(=O)[O-]	ZINC000020029253	358734410	/nfs/dbraw/zinc/73/44/10/358734410.db2.gz	YGCXTGCCLCADLQ-SECBINFHSA-N	-1	0	267.285	1.156	40	0		CDABRM
CC(=O)c1cc(C(=O)[O-])c(=O)n(-c2ccccc2)n1	ZINC000225965790	359636200	/nfs/dbraw/zinc/63/62/00/359636200.db2.gz	APLSROIXCGSVMI-UHFFFAOYSA-N	-1	0	258.233	1.133	40	0		CDABRM
CCCS(=O)(=O)N(C)c1ccccc1C(=O)[O-]	ZINC000011804539	360322231	/nfs/dbraw/zinc/32/22/31/360322231.db2.gz	QSIWLCTUPLSHBO-UHFFFAOYSA-N	-1	0	257.311	1.561	40	0		CDABRM
C[C@H]1C(=O)CC[C@H]1CC(=O)N=c1cc(C(F)(F)F)[n-][nH]1	ZINC000330107744	202614867	/nfs/dbraw/zinc/61/48/67/202614867.db2.gz	MOLWMEOKIJWEAC-RQJHMYQMSA-N	-1	0	289.257	1.794	40	0		CDABRM
O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)NCc1ccco1	ZINC000002573011	364585423	/nfs/dbraw/zinc/58/54/23/364585423.db2.gz	HCQDWAKIDFCJKE-DMWPJOQESA-N	-1	0	261.277	1.419	40	0		CDABRM
Cc1ccc(Cc2sc(N)nc2O)c(C(=O)[O-])c1	ZINC000257173406	190006000	/nfs/dbraw/zinc/00/60/00/190006000.db2.gz	LZGUCCZOKWQWKS-VIFPVBQESA-N	-1	0	264.306	1.192	40	0		CDABRM
CCS(=O)(=O)[C@@H]1[C@@H](c2ccc3c(c2)OCO3)[C@H]1C(=O)[O-]	ZINC000218148896	375796611	/nfs/dbraw/zinc/79/66/11/375796611.db2.gz	BWAUREVUHNCFCV-QJPTWQEYSA-N	-1	0	298.316	1.017	40	0		CDABRM
O=C([O-])C1=NN(c2ccc3c(c2)OCCO3)C(=O)C1	ZINC000217703325	304226479	/nfs/dbraw/zinc/22/64/79/304226479.db2.gz	CCKONXUBHGLEDK-UHFFFAOYSA-N	-1	0	262.221	1.047	40	0		CDABRM
O=C([O-])c1ccccc1CN1CCOC[C@@H]1c1cc[nH]n1	ZINC000257265342	304269261	/nfs/dbraw/zinc/26/92/61/304269261.db2.gz	LYHLOHAJZVOUSL-CQSZACIVSA-N	-1	0	287.319	1.681	40	0		CDABRM
Cc1cccc(C)c1N1C(=O)C[C@@H](SCC(=O)[O-])C1=O	ZINC000100855850	390451177	/nfs/dbraw/zinc/45/11/77/390451177.db2.gz	AEXKNUJYAJQNNR-SNVBAGLBSA-N	-1	0	293.344	1.753	40	0		CDABRM
O=C([O-])C1(c2cccc(S(=O)(=O)N3CCCC3)c2)CC1	ZINC000096515621	390531546	/nfs/dbraw/zinc/53/15/46/390531546.db2.gz	BPAPAUBUVVHBLQ-UHFFFAOYSA-N	-1	0	295.360	1.587	40	0		CDABRM
CC(C)(C)OC(=O)C1=N[N-]c2ccccc2S1(=O)=O	ZINC000096511520	390532032	/nfs/dbraw/zinc/53/20/32/390532032.db2.gz	LVUVAXVQAPOFOW-UHFFFAOYSA-N	-1	0	282.321	1.541	40	0		CDABRM
CC[C@]1(C)N=C(c2ccccc2)C(=O)N1CC(=O)[O-]	ZINC000096516406	390534066	/nfs/dbraw/zinc/53/40/66/390534066.db2.gz	KCNSVXBHAIQVQZ-CQSZACIVSA-N	-1	0	260.293	1.529	40	0		CDABRM
CCS(=O)(=O)[C@@H]1[C@@H](C(=O)[O-])[C@H]1c1ccc(F)cc1	ZINC000242722963	390609346	/nfs/dbraw/zinc/60/93/46/390609346.db2.gz	XZUXFHCEUDLFLX-VWYCJHECSA-N	-1	0	272.297	1.427	40	0		CDABRM
C[C@H](C(=O)Nc1ncn(CC(=O)[O-])n1)c1cccs1	ZINC000647780221	390862891	/nfs/dbraw/zinc/86/28/91/390862891.db2.gz	OUSYTECZEKJJNR-ZETCQYMHSA-N	-1	0	280.309	1.166	40	0		CDABRM
O=C([O-])Cc1nnc(-c2ccc(Br)cc2)[nH]1	ZINC000095635323	390911362	/nfs/dbraw/zinc/91/13/62/390911362.db2.gz	AAVVTZWBDRNFEN-UHFFFAOYSA-N	-1	0	282.097	1.861	40	0		CDABRM
CO[C@H](C(=O)[O-])[C@@H]1CCCCN1C(=O)OC(C)(C)C	ZINC000098181611	391248689	/nfs/dbraw/zinc/24/86/89/391248689.db2.gz	HDYQWACVXAZIHH-UWVGGRQHSA-N	-1	0	273.329	1.876	40	0		CDABRM
Cc1ccc(C2=NN(CC(=O)[O-])C(=O)[C@@H]3C[C@H]23)cc1	ZINC000217833997	130763253	/nfs/dbraw/zinc/76/32/53/130763253.db2.gz	QOYNUVSAZURVHD-WDEREUQCSA-N	-1	0	258.277	1.262	40	0		CDABRM
Cc1cc(C[C@@H](C)NC(=O)c2cccc(C(=O)[O-])c2)[nH]n1	ZINC000263383287	131291255	/nfs/dbraw/zinc/29/12/55/131291255.db2.gz	CCRJWTSHUDDXPE-SECBINFHSA-N	-1	0	287.319	1.777	40	0		CDABRM
COC1CCN(C(=O)c2ccc(C(=O)[O-])cc2)CC1	ZINC000035347340	292168074	/nfs/dbraw/zinc/16/80/74/292168074.db2.gz	ZJZCRAIRAJWFRL-UHFFFAOYSA-N	-1	0	263.293	1.636	40	0		CDABRM
O=C([O-])[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)NCc1ccc(F)cc1	ZINC000005094733	170065816	/nfs/dbraw/zinc/06/58/16/170065816.db2.gz	DQLLUVBHRLNJGL-XQHKEYJVSA-N	-1	0	293.294	1.320	40	0		CDABRM
CC(c1cc(Cl)ccc1O)=C1C(=O)[N-]C(=O)NC1=O	ZINC000005454441	170100639	/nfs/dbraw/zinc/10/06/39/170100639.db2.gz	KBXNSIUAEJOHNT-UHFFFAOYSA-N	-1	0	280.667	1.185	40	0		CDABRM
Nn1c(SCC(=O)[O-])nnc1-c1ccc(Cl)cc1	ZINC000020303650	171140158	/nfs/dbraw/zinc/14/01/58/171140158.db2.gz	QAXOWSFJPRVUKF-UHFFFAOYSA-N	-1	0	284.728	1.489	40	0		CDABRM
COC(=O)C=C(C)N[C@H](C(=O)[O-])c1ccc(O)cc1	ZINC000021983291	171344961	/nfs/dbraw/zinc/34/49/61/171344961.db2.gz	VXLHFWHJVCLKPT-KRZKBDHCSA-N	-1	0	265.265	1.184	40	0		CDABRM
CCCCNS(=O)(=O)c1ccccc1C(=O)[O-]	ZINC000022199761	171372668	/nfs/dbraw/zinc/37/26/68/171372668.db2.gz	VEYAEDHGFWWBNU-UHFFFAOYSA-N	-1	0	257.311	1.463	40	0		CDABRM
O=C([O-])C1CN(c2nc3c(cccc3F)s2)C1	ZINC000061957909	175659318	/nfs/dbraw/zinc/65/93/18/175659318.db2.gz	CTHHEAUKIQYEQR-UHFFFAOYSA-N	-1	0	252.270	1.956	40	0		CDABRM
CCOC(=O)C1=NN(c2ccccc2CC)[C@H](C(=O)[O-])C1	ZINC000071979279	176307822	/nfs/dbraw/zinc/30/78/22/176307822.db2.gz	BNXBHFNNAPNQPC-ZDUSSCGKSA-N	-1	0	290.319	1.831	40	0		CDABRM
CCOC(=O)C1=NN(c2cccc(C)c2)[C@@](C)(C(=O)[O-])C1	ZINC000071979547	176307892	/nfs/dbraw/zinc/30/78/92/176307892.db2.gz	UFQPAVQXCULMLX-OAHLLOKOSA-N	-1	0	290.319	1.968	40	0		CDABRM
CC(C)(C)OC(=O)N1CCC[C@@H](c2nnn[n-]2)C1	ZINC000034219002	277184629	/nfs/dbraw/zinc/18/46/29/277184629.db2.gz	IJGIPCAPKVENLU-MRVPVSSYSA-N	-1	0	253.306	1.314	40	0		CDABRM
CC(=O)O[C@H]1CCC(=O)[C@H]2[C@@H](C(=O)[O-])CCC[C@@H]21	ZINC000004990475	278221831	/nfs/dbraw/zinc/22/18/31/278221831.db2.gz	XJAOIOPKJIPADH-LLHIFLOGSA-N	-1	0	254.282	1.398	40	0		CDABRM
Cc1cccc(NC(=O)[C@H]2[C@@H](C(=O)[O-])[C@H]3C=C[C@@H]2O3)c1C	ZINC000169295793	302004384	/nfs/dbraw/zinc/00/43/84/302004384.db2.gz	BJWYYOGYFQTPEZ-DGAVXFQQSA-N	-1	0	287.315	1.896	40	0		CDABRM
Cc1oc(-c2nc3ccccc3n2C)cc1S(=O)(=O)[O-]	ZINC000006129987	302867349	/nfs/dbraw/zinc/86/73/49/302867349.db2.gz	WLDLBHDIRQOEIA-UHFFFAOYSA-O	-1	0	293.324	1.808	40	0		CDABRM
Cn1cc(CN2CC[C@@H](C(=O)[O-])c3ccccc32)nn1	ZINC000236106843	482556862	/nfs/dbraw/zinc/55/68/62/482556862.db2.gz	PMSCWLQRBHUMMZ-GFCCVEGCSA-N	-1	0	272.308	1.394	40	0		CDABRM
COc1c(NC(=O)c2c([O-])cccc2F)c(C)nn1C	ZINC000225398590	482830942	/nfs/dbraw/zinc/83/09/42/482830942.db2.gz	MJUBVCARVBGZMK-UHFFFAOYSA-N	-1	0	279.271	1.834	40	0		CDABRM
O=C([O-])[C@H]1CCN(C(=O)[C@H]2CCOC2)c2ccccc21	ZINC000167132300	482884943	/nfs/dbraw/zinc/88/49/43/482884943.db2.gz	QOKGYYOYDGKUFZ-JQWIXIFHSA-N	-1	0	275.304	1.628	40	0		CDABRM
O=C([O-])[C@]1(NC(=O)[C@H]2CCCOC2)CCc2ccccc21	ZINC000678979095	483240775	/nfs/dbraw/zinc/24/07/75/483240775.db2.gz	ONRUEVYAZRLEBB-LRDDRELGSA-N	-1	0	289.331	1.456	40	0		CDABRM
CCn1cc(C(=O)Nc2nc(CC(=O)[O-])cs2)cn1	ZINC000236942922	574487693	/nfs/dbraw/zinc/48/76/93/574487693.db2.gz	VCZXBMTYSGPWBC-UHFFFAOYSA-N	-1	0	280.309	1.239	40	0		CDABRM
CC1COc2c(F)c(F)cc3c(=O)c(C(=O)[O-])cn1c32	ZINC001560405337	970056614	/nfs/dbraw/zinc/05/66/14/970056614.db2.gz	HNTNRVBTKADFJS-UHFFFAOYSA-N	-1	0	280.206	1.770	40	0		CDABRM
O=C([O-])c1ccc[n+](C2=C([O-])c3ccccc3C2=O)c1	ZINC000033627975	344960596	/nfs/dbraw/zinc/96/05/96/344960596.db2.gz	HNEAVMPYKYBVHJ-UHFFFAOYSA-O	-1	0	268.248	1.752	40	0		CDABRM
CCCOc1ccc([C@H]2CNC(=O)[C@H]2C(=O)[O-])cc1	ZINC000256049529	345289227	/nfs/dbraw/zinc/28/92/27/345289227.db2.gz	AIRCNCNQAXXEQT-NEPJUHHUSA-N	-1	0	263.293	1.390	40	0		CDABRM
C[C@@H](NC(=O)c1cc(C(F)F)ccc1F)C(=O)[O-]	ZINC000621705810	350734445	/nfs/dbraw/zinc/73/44/45/350734445.db2.gz	YVSLLYZZJXATKV-RXMQYKEDSA-N	-1	0	261.199	1.966	40	0		CDABRM
O=C([O-])[C@@H]1CC[C@H](c2nc3cnccc3c(=O)[nH]2)S1	ZINC000256053013	350909596	/nfs/dbraw/zinc/90/95/96/350909596.db2.gz	PQXQDAKKDYHYJN-BDAKNGLRSA-N	-1	0	277.305	1.752	40	0		CDABRM
Nc1ccc(S(=O)(=O)[N-]C(=O)C2CCCCC2)cc1	ZINC000000282360	355901398	/nfs/dbraw/zinc/90/13/98/355901398.db2.gz	NNOXZUPYAYVWLP-UHFFFAOYSA-N	-1	0	282.365	1.654	40	0		CDABRM
CC(=O)[C@H](Cc1ccccc1)[N-]C(=O)C(F)(F)F	ZINC000002028237	355958408	/nfs/dbraw/zinc/95/84/08/355958408.db2.gz	ZFHNTQVDJNYPFS-JTQLQIEISA-N	-1	0	259.227	1.865	40	0		CDABRM
Cc1ccc(NC(=O)[C@H]2[C@H]3C=C[C@H](O3)[C@@H]2C(=O)[O-])cc1C	ZINC000004144551	356020263	/nfs/dbraw/zinc/02/02/63/356020263.db2.gz	FTYPOSAFKRXDOQ-RFGFWPKPSA-N	-1	0	287.315	1.896	40	0		CDABRM
Cc1c(Cl)cccc1C(=O)N1CCO[C@H](CC(=O)[O-])C1	ZINC000219560887	356076970	/nfs/dbraw/zinc/07/69/70/356076970.db2.gz	VLORXIPHBMCZQN-SNVBAGLBSA-N	-1	0	297.738	1.964	40	0		CDABRM
CNS(=O)(=O)c1ccc(NC(C)(C)C)c(C(=O)[O-])c1	ZINC000013276929	356341717	/nfs/dbraw/zinc/34/17/17/356341717.db2.gz	SJKGRKFMNYPEND-UHFFFAOYSA-N	-1	0	286.353	1.503	40	0		CDABRM
Cc1oc2nc(SCC(=O)[O-])[nH]c(=O)c2c1C	ZINC000036644072	356876809	/nfs/dbraw/zinc/87/68/09/356876809.db2.gz	ANZIWVFPKZGKLZ-UHFFFAOYSA-N	-1	0	254.267	1.310	40	0		CDABRM
CSc1nccnc1CN(CC(=O)[O-])C1CC1	ZINC000079435932	356996389	/nfs/dbraw/zinc/99/63/89/356996389.db2.gz	VBBNULRTVOJAOG-UHFFFAOYSA-N	-1	0	253.327	1.248	40	0		CDABRM
CC(C)c1ncc(C(=O)[O-])c(N2CCOCC2)n1	ZINC000049469295	357217605	/nfs/dbraw/zinc/21/76/05/357217605.db2.gz	OXUJRTHGQXXSJT-UHFFFAOYSA-N	-1	0	251.286	1.135	40	0		CDABRM
CCn1ccc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])n1	ZINC000036610959	358363891	/nfs/dbraw/zinc/36/38/91/358363891.db2.gz	ABXPPRAPQYPCGK-DMWPJOQESA-N	-1	0	275.308	1.364	40	0		CDABRM
CC(=O)N[C@@H](C(=O)[O-])[C@@H](O)c1ccc(C(F)(F)F)cc1	ZINC000091690082	358522372	/nfs/dbraw/zinc/52/23/72/358522372.db2.gz	SQXUUGMKDYJLIC-ZJUUUORDSA-N	-1	0	291.225	1.328	40	0		CDABRM
COc1ccc([C@H]2NC(=O)N=C(C)[C@@H]2C(=O)[O-])cc1	ZINC000100265345	358825294	/nfs/dbraw/zinc/82/52/94/358825294.db2.gz	DDOJXDKILYFWEI-WDEREUQCSA-N	-1	0	262.265	1.621	40	0		CDABRM
O=C([O-])C1CCN(C(=S)NC2CCCCC2)CC1	ZINC000216930525	358970252	/nfs/dbraw/zinc/97/02/52/358970252.db2.gz	UEWXPTIXNTVCAN-UHFFFAOYSA-N	-1	0	270.398	1.990	40	0		CDABRM
O=C([O-])Cc1ccc(-c2nn3cnnc3s2)cc1	ZINC000041126883	304088958	/nfs/dbraw/zinc/08/89/58/304088958.db2.gz	VKFDZYNRPXYQOE-UHFFFAOYSA-N	-1	0	260.278	1.480	40	0		CDABRM
Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CC2(F)F)c(F)c1	ZINC000408484757	361310459	/nfs/dbraw/zinc/31/04/59/361310459.db2.gz	NCDFEVRXCPSPOI-ZETCQYMHSA-N	-1	0	293.266	1.594	40	0		CDABRM
O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@@H]1C(=O)NCc1ccccc1	ZINC000000192253	364093575	/nfs/dbraw/zinc/09/35/75/364093575.db2.gz	QCXUJIJIBRKJBL-RFGFWPKPSA-N	-1	0	271.316	1.826	40	0		CDABRM
O=C([O-])[C@@H]1[C@@H](Oc2ccccc2)C(=O)N1Cc1ccccc1	ZINC000218279596	365236646	/nfs/dbraw/zinc/23/66/46/365236646.db2.gz	RQZQJXASQBWYCY-LSDHHAIUSA-N	-1	0	297.310	1.930	40	0		CDABRM
Cc1cc(=O)n(Cc2ccc(C(=O)[O-])cc2)c(C)n1	ZINC000019722947	368015330	/nfs/dbraw/zinc/01/53/30/368015330.db2.gz	DPILFJLCCORDIU-UHFFFAOYSA-N	-1	0	258.277	1.607	40	0		CDABRM
O=C([O-])[C@H](C1CC1)n1nnc(-c2cccc(F)c2)n1	ZINC000630381426	368843152	/nfs/dbraw/zinc/84/31/52/368843152.db2.gz	OSMLSVVGIHCGEK-JTQLQIEISA-N	-1	0	262.244	1.515	40	0		CDABRM
O=C([O-])[C@@](CO)(Cc1ccccc1)NC(=O)c1ccccc1	ZINC000002387093	374269022	/nfs/dbraw/zinc/26/90/22/374269022.db2.gz	LKEOXPPWIMAHCM-KRWDZBQOSA-N	-1	0	299.326	1.475	40	0		CDABRM
CNc1cc([C@@H]2CCCN2C(=O)CCC(=O)[O-])nc(C)n1	ZINC000257206810	190011558	/nfs/dbraw/zinc/01/15/58/190011558.db2.gz	BEYRKXPEZXZJKL-NSHDSACASA-N	-1	0	292.339	1.355	40	0		CDABRM
O=C([O-])c1ccc(=O)n([C@@H](CO)c2ccccc2)c1	ZINC000257262486	190022394	/nfs/dbraw/zinc/02/23/94/190022394.db2.gz	LLOWFZBFLIZBET-LBPRGKRZSA-N	-1	0	259.261	1.128	40	0		CDABRM
O=C([O-])[C@H]1C[C@H](C(=O)[O-])[C@H](c2ccc(Cl)cc2)[NH2+]1	ZINC000004203125	304203823	/nfs/dbraw/zinc/20/38/23/304203823.db2.gz	MMUGORBTGPYPOV-AEJSXWLSSA-N	-1	0	269.684	1.528	40	0		CDABRM
COc1ccc(Cc2c([O-])[nH]c(=S)[nH]c2=O)cc1	ZINC000018183483	295141297	/nfs/dbraw/zinc/14/12/97/295141297.db2.gz	BPZPVOXACWDGDR-UHFFFAOYSA-N	-1	0	264.306	1.737	40	0		CDABRM
O=C([O-])[C@H]1[C@@H](C(=O)N2CCc3ccccc32)[C@H]2C=C[C@@H]1O2	ZINC000225790909	304209425	/nfs/dbraw/zinc/20/94/25/304209425.db2.gz	QQBZWECDNHYQST-ZOBORPQBSA-N	-1	0	285.299	1.230	40	0		CDABRM
O=C([O-])[C@H]1[C@@H](C(=O)Nc2ccc3c(c2)CCC3)[C@H]2C=C[C@@H]1O2	ZINC000222439440	304209753	/nfs/dbraw/zinc/20/97/53/304209753.db2.gz	MDZGXPLSYJJQDG-CBBWQLFWSA-N	-1	0	299.326	1.768	40	0		CDABRM
Cc1ccccc1C(=O)NCCc1n[nH]c(=S)n1C	ZINC000059176819	377989111	/nfs/dbraw/zinc/98/91/11/377989111.db2.gz	LGHBMQFKGLREPG-UHFFFAOYSA-N	-1	0	276.365	1.759	40	0		CDABRM
COc1ccc2cc(CC(=O)OS(=O)(=O)[O-])ccc2c1	ZINC000065739718	378580422	/nfs/dbraw/zinc/58/04/22/378580422.db2.gz	GOGMUYHLFAZNCI-UHFFFAOYSA-N	-1	0	296.300	1.737	40	0	in-vitro	CDABRM
Cc1ccc(-n2c(=O)c(C(=O)[O-])c[nH]c2=S)cc1	ZINC000020156269	256783693	/nfs/dbraw/zinc/78/36/93/256783693.db2.gz	IXPYUULKALRJPD-UHFFFAOYSA-N	-1	0	262.290	1.902	40	0		CDABRM
CCOC(=O)[C@H](CC(=O)[O-])Cc1cccc(OC)c1OC	ZINC000001559367	169714055	/nfs/dbraw/zinc/71/40/55/169714055.db2.gz	CVQPSTSDNVKRAA-NSHDSACASA-N	-1	0	296.319	1.900	40	0		CDABRM
CC1=C(C(=O)[O-])[C@H](c2ccc(F)c(F)c2)NC(=O)N1	ZINC000044563654	390434970	/nfs/dbraw/zinc/43/49/70/390434970.db2.gz	BYHLVBRHNYDQMW-JTQLQIEISA-N	-1	0	268.219	1.677	40	0		CDABRM
COc1c(F)c(C(=O)[O-])nn1Cc1ccccc1	ZINC000096510746	390530775	/nfs/dbraw/zinc/53/07/75/390530775.db2.gz	CASRIMABJPMMLJ-UHFFFAOYSA-N	-1	0	250.229	1.777	40	0		CDABRM
CCc1cc(N2CC[C@H](C(=O)[O-])C2)nc(C2CC2)n1	ZINC000096516969	390531631	/nfs/dbraw/zinc/53/16/31/390531631.db2.gz	RWBUHOGBHDLTJV-JTQLQIEISA-N	-1	0	261.325	1.827	40	0		CDABRM
O=C([O-])c1ccn(-c2nccnc2N2CCCCCC2)n1	ZINC000096517430	390532692	/nfs/dbraw/zinc/53/26/92/390532692.db2.gz	XPIABIRSDGYNGL-UHFFFAOYSA-N	-1	0	287.323	1.741	40	0		CDABRM
Cc1nc(C2CC2)nc(-n2cnc(C(=O)[O-])c2)c1C	ZINC000096517369	390533473	/nfs/dbraw/zinc/53/34/73/390533473.db2.gz	COHQTDCUEAJZPF-UHFFFAOYSA-N	-1	0	258.281	1.855	40	0		CDABRM
O=C([O-])[C@H]1[C@H](Oc2ccccc2)C(=O)N1c1ccccc1	ZINC000218275279	130767846	/nfs/dbraw/zinc/76/78/46/130767846.db2.gz	DZYWAMXNFIUTAA-KGLIPLIRSA-N	-1	0	283.283	1.934	40	0		CDABRM
CCc1ccc([C@@H]2[C@H](C(=O)[O-])[C@H]2S(=O)(=O)CC)cc1	ZINC000242498513	393195866	/nfs/dbraw/zinc/19/58/66/393195866.db2.gz	HJURKDHJIUTJKE-AGIUHOORSA-N	-1	0	282.361	1.850	40	0		CDABRM
CCOC(=O)c1cc2sccc2n1CC(=O)[O-]	ZINC000004966870	170046322	/nfs/dbraw/zinc/04/63/22/170046322.db2.gz	WJBMCTYFFMIAQR-UHFFFAOYSA-N	-1	0	253.279	1.964	40	0		CDABRM
COc1ccc(Cc2n[n-]c(NC(C)(C)C)nc2=O)cc1	ZINC000005154556	170071134	/nfs/dbraw/zinc/07/11/34/170071134.db2.gz	IBQZEGSAIPAZIQ-UHFFFAOYSA-N	-1	0	288.351	1.975	40	0		CDABRM
O=c1[n-]c(N2CCCC2)nnc1Cc1ccc(F)cc1	ZINC000005154633	170071484	/nfs/dbraw/zinc/07/14/84/170071484.db2.gz	HMMBUPSWBXYQAK-UHFFFAOYSA-N	-1	0	274.299	1.907	40	0		CDABRM
O=C([O-])[C@H]1[C@H]2C=C[C@H](CC2)[C@@H]1C(=O)NCc1cccnc1	ZINC000006714575	170231465	/nfs/dbraw/zinc/23/14/65/170231465.db2.gz	OHUIMECECYWTRW-RFGFWPKPSA-N	-1	0	286.331	1.611	40	0		CDABRM
N[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl	ZINC000035431025	172200006	/nfs/dbraw/zinc/20/00/06/172200006.db2.gz	KPVKTBDDRNURLR-UHFFFAOYSA-N	-1	0	275.544	1.799	40	0		CDABRM
Cc1csc([N-]S(=O)(=O)c2cnn(C(C)C)c2)n1	ZINC000072239279	176347046	/nfs/dbraw/zinc/34/70/46/176347046.db2.gz	OZDOQONSFPOHGQ-UHFFFAOYSA-N	-1	0	286.382	1.452	40	0		CDABRM
Cn1cnc(C(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)c1	ZINC000653328161	424429399	/nfs/dbraw/zinc/42/93/99/424429399.db2.gz	FHODRNQHSIGEKB-NEPJUHHUSA-N	-1	0	285.303	1.463	40	0		CDABRM
COc1ccc(C(=O)N[C@H](C)[C@@H](C)C(=O)[O-])c(F)c1	ZINC000228707571	280109039	/nfs/dbraw/zinc/10/90/39/280109039.db2.gz	QAOBQBZJRJKWBR-HTQZYQBOSA-N	-1	0	269.272	1.673	40	0		CDABRM
COc1ccc([C@H]2CCC(=O)C[C@]2(O)C(=O)[O-])cc1	ZINC000001644701	295247456	/nfs/dbraw/zinc/24/74/56/295247456.db2.gz	OHGKIELKQXELNR-TZMCWYRMSA-N	-1	0	264.277	1.348	40	0		CDABRM
C[C@@]12C=C[C@@H](O1)[C@@H](C(=O)[O-])[C@H]2C(=O)Nc1cccnc1	ZINC000409376260	297928352	/nfs/dbraw/zinc/92/83/52/297928352.db2.gz	WLQMLBIUPVZETO-PUHVVEEASA-N	-1	0	274.276	1.064	40	0		CDABRM
Cc1cc(C)n(C(=O)[C@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)[O-])n1	ZINC000005793199	301235977	/nfs/dbraw/zinc/23/59/77/301235977.db2.gz	AOFJPWBHGXBNTE-RCWTZXSCSA-N	-1	0	264.281	1.018	40	0		CDABRM
CN1C(=O)C[C@@](C)(C(=O)[O-])c2cc(F)c(F)cc21	ZINC000062712459	523703381	/nfs/dbraw/zinc/70/33/81/523703381.db2.gz	DHLKAXFTTUETCO-GFCCVEGCSA-N	-1	0	255.220	1.674	40	0		CDABRM
O=C([O-])[C@@H]1CS[C@H](Cc2ccc(Cl)cc2)C(=O)N1	ZINC000062712114	526289590	/nfs/dbraw/zinc/28/95/90/526289590.db2.gz	IGMGSHIQVNTTMM-VHSXEESVSA-N	-1	0	285.752	1.567	40	0		CDABRM
O=C([O-])c1cnc2[nH]c(I)cc2c1	ZINC000238672573	1158453199	/nfs/dbraw/zinc/45/31/99/1158453199.db2.gz	XUQVSMNFVRROCS-UHFFFAOYSA-N	-1	0	288.044	1.866	40	0		CDABRM
O=C([N-]c1nnc([C@@H]2CCCO2)s1)c1cccc[n+]1[O-]	ZINC000046085469	1166301706	/nfs/dbraw/zinc/30/17/06/1166301706.db2.gz	FEJXAPYUAJPPKP-VIFPVBQESA-N	-1	0	292.320	1.275	40	0		CDABRM
CC(C)(C)OC(=O)N1C[C@H]2OC[C@H](CC(=O)[O-])[C@H]2C1	ZINC000110915510	342451700	/nfs/dbraw/zinc/45/17/00/342451700.db2.gz	VTGTYBFNGPKJBP-IVZWLZJFSA-N	-1	0	271.313	1.343	40	0		CDABRM
COCCOc1nn(C)c2ccc(OCC(=O)[O-])cc21	ZINC000225771741	230399740	/nfs/dbraw/zinc/39/97/40/230399740.db2.gz	VSRZVUSCTKPCDQ-UHFFFAOYSA-N	-1	0	280.280	1.062	40	0		CDABRM
CCN1C(=O)N/C(=C/c2cccc([N+](=O)[O-])c2[O-])C1=O	ZINC000006951833	342339947	/nfs/dbraw/zinc/33/99/47/342339947.db2.gz	UXCAHFIKVCEWSB-SOFGYWHQSA-N	-1	0	277.236	1.213	40	0		CDABRM
COc1ccc([C@@H]2OC(=O)C[C@H]2C(=O)[O-])c(OC)c1	ZINC000085394096	179048435	/nfs/dbraw/zinc/04/84/35/179048435.db2.gz	CDSGNMQCRQLZCR-SKDRFNHKSA-N	-1	0	266.249	1.393	40	0		CDABRM
COc1ccc(OC)c([C@H]2OC(=O)C[C@@H]2C(=O)[O-])c1	ZINC000085394114	179048577	/nfs/dbraw/zinc/04/85/77/179048577.db2.gz	GWESMYFANLOKEZ-JOYOIKCWSA-N	-1	0	266.249	1.393	40	0		CDABRM
COCCS(=O)(=O)[N-]C(=O)[C@H]1C[C@H]1C1CCCCC1	ZINC000174249774	188888245	/nfs/dbraw/zinc/88/82/45/188888245.db2.gz	NKIBYXHRYHNAFM-RYUDHWBXSA-N	-1	0	289.397	1.295	40	0		CDABRM
CC[C@@H](C)[C@H](NS(=O)(=O)Cc1ccccc1)C(=O)[O-]	ZINC000001594004	355941145	/nfs/dbraw/zinc/94/11/45/355941145.db2.gz	BONOQNDSZHYLAR-PWSUYJOCSA-N	-1	0	285.365	1.605	40	0		CDABRM
O=C([O-])[C@H](Cc1ccccc1)NC(=O)c1ccncc1	ZINC000001769143	355951405	/nfs/dbraw/zinc/95/14/05/355951405.db2.gz	JEVHNIYOOGNRAJ-ZDUSSCGKSA-N	-1	0	270.288	1.507	40	0		CDABRM
CC(C)(C)OC(=O)N[C@@H](C(=O)[O-])[C@H](O)c1ccccc1F	ZINC000004299308	356026594	/nfs/dbraw/zinc/02/65/94/356026594.db2.gz	MPJWTNGRJODCGK-GHMZBOCLSA-N	-1	0	299.298	1.837	40	0		CDABRM
Cc1nn(C)cc1[C@H](C)NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-]	ZINC000036611014	356408020	/nfs/dbraw/zinc/40/80/20/356408020.db2.gz	IUDUEXQDVXJUOH-WCQGTBRESA-N	-1	0	291.351	1.573	40	0		CDABRM
COc1cc(N)ccc1N1CCC(C(=O)[O-])CC1	ZINC000216931693	366465061	/nfs/dbraw/zinc/46/50/61/366465061.db2.gz	ZNNRKQIOCAIXGA-UHFFFAOYSA-N	-1	0	250.298	1.578	40	0		CDABRM
O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)c1cc2ccccc2c(=O)[nH]1	ZINC000262863659	359193167	/nfs/dbraw/zinc/19/31/67/359193167.db2.gz	CCMJWQAMRHQPLA-AOOOYVTPSA-N	-1	0	286.287	1.533	40	0		CDABRM
O=C([O-])Cc1c[nH]c(=S)n(-c2ccccc2)c1=O	ZINC000020156327	304088116	/nfs/dbraw/zinc/08/81/16/304088116.db2.gz	XARDTFGQJOJYGX-UHFFFAOYSA-N	-1	0	262.290	1.522	40	0		CDABRM
O=C1N=C2C=CC=CN2C(=O)C1=C([O-])c1ccccc1	ZINC000103643096	363934489	/nfs/dbraw/zinc/93/44/89/363934489.db2.gz	ZKGSBUWPZGWRGA-OUKQBFOZSA-N	-1	0	266.256	1.807	40	0		CDABRM
CC[C@H](C)NS(=O)(=O)c1cc(C(=O)[O-])ccc1NC	ZINC000217710876	189711478	/nfs/dbraw/zinc/71/14/78/189711478.db2.gz	QMJQZSKAKUQWGH-QMMMGPOBSA-N	-1	0	286.353	1.503	40	0		CDABRM
Cc1cc(C)c(C[C@@H](C(=O)[O-])N2CCOCC2)c(C)c1	ZINC000225151804	189744400	/nfs/dbraw/zinc/74/44/00/189744400.db2.gz	CQUWFFCIFUJUPN-HNNXBMFYSA-N	-1	0	277.364	1.940	40	0		CDABRM
O=C([O-])CCC[NH2+]Cc1ccc(OCC(=O)[O-])cc1	ZINC000062716880	256722929	/nfs/dbraw/zinc/72/29/29/256722929.db2.gz	OUGGAYCVHCFNKL-UHFFFAOYSA-N	-1	0	267.281	1.104	40	0		CDABRM
CC1=C(C(=O)[O-])[C@H](c2ccc(F)cc2)n2ncnc2N1	ZINC000020154003	390231327	/nfs/dbraw/zinc/23/13/27/390231327.db2.gz	YEQDYXDXEQJDGP-NSHDSACASA-N	-1	0	274.255	1.791	40	0		CDABRM
O=C([O-])c1n[nH]c(OCC2CC2)c1Br	ZINC000096510773	390531156	/nfs/dbraw/zinc/53/11/56/390531156.db2.gz	UZMJVRYFWGYCLR-UHFFFAOYSA-N	-1	0	261.075	1.659	40	0		CDABRM
O=C([O-])c1ccn(-c2cc3c(nn2)CCCCC3)n1	ZINC000096517393	390533129	/nfs/dbraw/zinc/53/31/29/390533129.db2.gz	OWPMXDQYNLNXKI-UHFFFAOYSA-N	-1	0	258.281	1.629	40	0		CDABRM
Nc1c(Cl)c(=O)n(-c2ccc(Cl)cc2)[n-]c1=O	ZINC000252500988	392794960	/nfs/dbraw/zinc/79/49/60/392794960.db2.gz	UATJSXRTAHICNV-UHFFFAOYSA-N	-1	0	272.091	1.827	40	0		CDABRM
C[C@H]([NH2+]Cc1cn(CC(=O)[O-])c2ccccc12)C(=O)[O-]	ZINC000062717192	392803687	/nfs/dbraw/zinc/80/36/87/392803687.db2.gz	AUBKEFLEUBLODT-VIFPVBQESA-N	-1	0	276.292	1.289	40	0		CDABRM
CC[C@](C)(NC(=O)c1cccc(C[S@@](C)=O)c1)C(=O)[O-]	ZINC000262076387	149010715	/nfs/dbraw/zinc/01/07/15/149010715.db2.gz	DOXRRLJFIDNKRK-VBKZILBWSA-N	-1	0	297.376	1.548	40	0		CDABRM
O=C([O-])c1ccc(NC(=S)NC[C@H]2CCCO2)cc1	ZINC000005448510	170100263	/nfs/dbraw/zinc/10/02/63/170100263.db2.gz	PPPKKEKYHHWGLU-LLVKDONJSA-N	-1	0	280.349	1.850	40	0		CDABRM
Cc1ccccc1[N-]S(=O)(=O)c1c(N)ncn1C	ZINC000006133828	170178755	/nfs/dbraw/zinc/17/87/55/170178755.db2.gz	JWZZPAKKGKAKPS-UHFFFAOYSA-N	-1	0	266.326	1.112	40	0		CDABRM
CCOC(=O)/C(=C\c1ccc(OC)c(OC)c1)C(=O)[O-]	ZINC000008614627	170342934	/nfs/dbraw/zinc/34/29/34/170342934.db2.gz	IIRKMLGWDNHZQE-YFHOEESVSA-N	-1	0	280.276	1.735	40	0		CDABRM
Cc1ccc(F)cc1NC(=O)[C@H]1[C@H]2C=C[C@H](O2)[C@@H]1C(=O)[O-]	ZINC000017022557	170722118	/nfs/dbraw/zinc/72/21/18/170722118.db2.gz	PDOYOFIPRBTXAS-VOAKCMCISA-N	-1	0	291.278	1.727	40	0		CDABRM
O=C([O-])[C@H]1[C@@H]2C=C[C@@H](O2)[C@H]1C(=O)Nc1cc(F)ccc1F	ZINC000035898251	172423886	/nfs/dbraw/zinc/42/38/86/172423886.db2.gz	DVCPSCSBTRQRNT-KXNHARMFSA-N	-1	0	295.241	1.558	40	0		CDABRM
O=C([O-])Cn1nc(-c2ccccn2)nc1-c1ccccn1	ZINC000040174371	174200367	/nfs/dbraw/zinc/20/03/67/174200367.db2.gz	HKPHCTSETGJXDJ-UHFFFAOYSA-N	-1	0	281.275	1.487	40	0		CDABRM
COc1cc(C2=NO[C@](C)(C(=O)[O-])C2)ccc1F	ZINC000071981099	176308186	/nfs/dbraw/zinc/30/81/86/176308186.db2.gz	AAQNKNMAFSDHEM-LBPRGKRZSA-N	-1	0	253.229	1.802	40	0		CDABRM
O=C1[N-]C(=O)/C(=C\c2ccc(Br)cc2)N1	ZINC000033938338	280278344	/nfs/dbraw/zinc/27/83/44/280278344.db2.gz	CNYDLUVFKSOJMY-VMPITWQZSA-N	-1	0	267.082	1.629	40	0		CDABRM
CSCC[C@H]([NH2+]Cc1ccccc1C(=O)[O-])C(=O)[O-]	ZINC000062718093	295606081	/nfs/dbraw/zinc/60/60/81/295606081.db2.gz	XUMOJDFCRWFQDD-NSHDSACASA-N	-1	0	283.349	1.681	40	0		CDABRM
Cc1ccccc1[C@H]1N[C@H](C(=O)[O-])Cc2[nH]cnc21	ZINC000005818612	302226716	/nfs/dbraw/zinc/22/67/16/302226716.db2.gz	CXOWHMVJZDSFAU-NWDGAFQWSA-N	-1	0	257.293	1.406	40	0		CDABRM
O=C([O-])[C@@H]1CCCN1C(=O)[C@H]1CCc2ccccc2C1	ZINC000145878259	482956215	/nfs/dbraw/zinc/95/62/15/482956215.db2.gz	PBRFDIYGGFBVNU-KBPBESRZSA-N	-1	0	273.332	1.867	40	0		CDABRM
O=C([O-])[C@@H]1CS[C@H](Cc2ccccc2Cl)C(=O)N1	ZINC000062712091	526288726	/nfs/dbraw/zinc/28/87/26/526288726.db2.gz	DXARLDIXAASAJA-VHSXEESVSA-N	-1	0	285.752	1.567	40	0		CDABRM
Cc1ccc(S(=O)(=O)NC2CC(C(=O)[O-])C2)cc1C	ZINC000693352953	1158767424	/nfs/dbraw/zinc/76/74/24/1158767424.db2.gz	BONQHJIOMRRWER-UHFFFAOYSA-N	-1	0	283.349	1.445	40	0		CDABRM
O=C([O-])C12CC(NC(=O)OCc3ccccc3)(C1)C2	ZINC000253183287	1181155189	/nfs/dbraw/zinc/15/51/89/1181155189.db2.gz	KKCBBZNBFZHTQE-UHFFFAOYSA-N	-1	0	261.277	1.920	40	0		CDABRM
COc1cc(C)nc(N[C@@H](Cc2ccccc2)C(=O)[O-])n1	ZINC000221516422	741121786	/nfs/dbraw/zinc/12/17/86/741121786.db2.gz	HFCUHBHVYAFRHH-LBPRGKRZSA-N	-1	0	287.319	1.901	40	0		CDABRM
CN(Cc1cc(C(=O)[O-])cs1)Cc1cnccn1	ZINC000711380622	741245027	/nfs/dbraw/zinc/24/50/27/741245027.db2.gz	SXCFCYVVJJIJIC-UHFFFAOYSA-N	-1	0	263.322	1.868	40	0		CDABRM
O=C([O-])CN(CC1CC1)C(=O)Cc1ccc(F)cc1F	ZINC000095066187	539087985	/nfs/dbraw/zinc/08/79/85/539087985.db2.gz	GTTMMHQUUZYHNK-UHFFFAOYSA-N	-1	0	283.274	1.831	40	0		CDABRM
CC(C)(C)OC(=O)N[C@H](C(=O)[O-])C1CC2(C1)OCCO2	ZINC000409424503	342168778	/nfs/dbraw/zinc/16/87/78/342168778.db2.gz	GPWXLWGGRWGROP-VIFPVBQESA-N	-1	0	287.312	1.117	40	0		CDABRM
Cc1ccc(/C=C2/SC(=O)N(CC(=O)[O-])C2=O)o1	ZINC000210388557	344882579	/nfs/dbraw/zinc/88/25/79/344882579.db2.gz	UNIKAKBRXXHPSY-XBXARRHUSA-N	-1	0	267.262	1.709	40	0		CDABRM
O=C([O-])c1ccc(C(=O)c2ccc3c(c2)OCCO3)o1	ZINC000085393581	179048731	/nfs/dbraw/zinc/04/87/31/179048731.db2.gz	YTOKODZMOUQHNW-UHFFFAOYSA-N	-1	0	274.228	1.980	40	0		CDABRM
COc1cc(I)cc(C(=O)[O-])c1N	ZINC000221806429	348514173	/nfs/dbraw/zinc/51/41/73/348514173.db2.gz	NKKFDBPMEHGDSB-UHFFFAOYSA-N	-1	0	293.060	1.580	40	0		CDABRM
COc1cc2c(cc1C[C@@H]1SC(=O)[N-]C1=O)OCO2	ZINC000008114148	348733317	/nfs/dbraw/zinc/73/33/17/348733317.db2.gz	BFGAIFBTHZKKFO-JTQLQIEISA-N	-1	0	281.289	1.318	40	0		CDABRM
CCCC(=O)NC(=S)[N-]n1c(C)nnc1SC	ZINC000033750698	348738114	/nfs/dbraw/zinc/73/81/14/348738114.db2.gz	YYOYBFGLVOPYQM-UHFFFAOYSA-N	-1	0	273.387	1.053	40	0		CDABRM
O=C([O-])C1CCC(C(=O)N(C[C@@H]2CCOC2)C2CC2)CC1	ZINC000194427963	304036832	/nfs/dbraw/zinc/03/68/32/304036832.db2.gz	POBGHMKUUXJFOU-HIFPTAJRSA-N	-1	0	295.379	1.905	40	0		CDABRM
COCCNC(=S)Nc1ccc(O)c(C(=O)[O-])c1	ZINC000408588694	356007059	/nfs/dbraw/zinc/00/70/59/356007059.db2.gz	XWJMBZCMYRAWBJ-UHFFFAOYSA-N	-1	0	270.310	1.023	40	0		CDABRM
CC(C)C[C@H](NS(=O)(=O)Cc1ccccc1)C(=O)[O-]	ZINC000001677521	355947256	/nfs/dbraw/zinc/94/72/56/355947256.db2.gz	SXWRIQLFHIQDFV-LBPRGKRZSA-N	-1	0	285.365	1.605	40	0		CDABRM
CCc1[nH]c(=O)c(C(=O)[O-])c2c1COC(C)(C)C2	ZINC000005247959	356051430	/nfs/dbraw/zinc/05/14/30/356051430.db2.gz	VMZKJNZANSUFRZ-UHFFFAOYSA-N	-1	0	251.282	1.487	40	0		CDABRM
Cc1nnc(S[C@@H](C)C(=O)NC2CCCCC2)[n-]c1=O	ZINC000013566308	356348330	/nfs/dbraw/zinc/34/83/30/356348330.db2.gz	CTGMWYNJCGQVRZ-VIFPVBQESA-N	-1	0	296.396	1.403	40	0		CDABRM
O=C([O-])CSCCCN1C(=O)c2ccccc2C1=O	ZINC000016524345	356441243	/nfs/dbraw/zinc/44/12/43/356441243.db2.gz	BNSGUPKGPZUSFL-UHFFFAOYSA-N	-1	0	279.317	1.491	40	0		CDABRM
COc1cccc(N2C(=O)C[C@@H](SCC(=O)[O-])C2=O)c1	ZINC000019765665	356501301	/nfs/dbraw/zinc/50/13/01/356501301.db2.gz	BRGJDUINXOCWBQ-SNVBAGLBSA-N	-1	0	295.316	1.145	40	0		CDABRM
COc1ccccc1N1C(=O)S[C@H](CC(=O)[O-])C1=O	ZINC000036635206	356875593	/nfs/dbraw/zinc/87/55/93/356875593.db2.gz	JQJCXHSEAZEKLQ-SECBINFHSA-N	-1	0	281.289	1.738	40	0		CDABRM
Cc1c(C(=O)[O-])c(I)nn1C	ZINC000039259534	356971641	/nfs/dbraw/zinc/97/16/41/356971641.db2.gz	UOHUWWTYXLSXHU-UHFFFAOYSA-N	-1	0	266.038	1.031	40	0		CDABRM
Cc1cc(C(=O)Nc2nc(CC(=O)[O-])cs2)n(C)n1	ZINC000084097711	357512088	/nfs/dbraw/zinc/51/20/88/357512088.db2.gz	FXHCNYQRORUGQO-UHFFFAOYSA-N	-1	0	280.309	1.064	40	0		CDABRM
CC(C)(C)OC(=O)N[C@@H](CCn1ccnc1)C(=O)[O-]	ZINC000199555837	358084625	/nfs/dbraw/zinc/08/46/25/358084625.db2.gz	QAHLADCBKOUMLZ-VIFPVBQESA-N	-1	0	269.301	1.251	40	0		CDABRM
Cc1nc(-n2ncc(C(=O)[O-])n2)ccc1Br	ZINC000089263487	358400826	/nfs/dbraw/zinc/40/08/26/358400826.db2.gz	DZFJWFUZLNELNY-UHFFFAOYSA-N	-1	0	283.085	1.431	40	0		CDABRM
CCn1cc(CNC(=O)[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C(=O)[O-])cn1	ZINC000004124318	358569835	/nfs/dbraw/zinc/56/98/35/358569835.db2.gz	KENCYZMUXJVQSQ-XQHKEYJVSA-N	-1	0	291.351	1.266	40	0		CDABRM
CNC(=S)Nc1cc(OC)c(C(=O)[O-])cc1Cl	ZINC000216930262	366478873	/nfs/dbraw/zinc/47/88/73/366478873.db2.gz	KPJKIOOSOUJGSY-UHFFFAOYSA-N	-1	0	274.729	1.963	40	0		CDABRM
Cc1nc(COc2ccccc2F)[nH]c(=O)c1CC(=O)[O-]	ZINC000217390440	358998289	/nfs/dbraw/zinc/99/82/89/358998289.db2.gz	NOFGOWRPRWWXEA-UHFFFAOYSA-N	-1	0	292.266	1.424	40	0		CDABRM
CCCCNc1ccc(C(=O)[O-])cc1S(=O)(=O)NC	ZINC000217405543	358998820	/nfs/dbraw/zinc/99/88/20/358998820.db2.gz	INCUKSRPJOGOMK-UHFFFAOYSA-N	-1	0	286.353	1.505	40	0		CDABRM
CCS(=O)(=O)[C@@H]1[C@@H](c2cccc(F)c2)[C@H]1C(=O)[O-]	ZINC000218426345	359053323	/nfs/dbraw/zinc/05/33/23/359053323.db2.gz	JPWSRQYNXQUAQT-HBNTYKKESA-N	-1	0	272.297	1.427	40	0		CDABRM
COCCNC(=S)Nc1ccc(C(=O)[O-])cc1Cl	ZINC000225155861	359552915	/nfs/dbraw/zinc/55/29/15/359552915.db2.gz	YRXCETSPRJBKHE-UHFFFAOYSA-N	-1	0	288.756	1.971	40	0		CDABRM
Cc1nc(C2(c3ccccc3)CC2)[nH]c(=O)c1CC(=O)[O-]	ZINC000062781961	359993824	/nfs/dbraw/zinc/99/38/24/359993824.db2.gz	WGMDSWMHHVGLPU-UHFFFAOYSA-N	-1	0	284.315	1.785	40	0		CDABRM
NC(=O)[C@@H]1CC(=O)N(c2cc(Cl)c([O-])c(Cl)c2)C1	ZINC000057327766	360143031	/nfs/dbraw/zinc/14/30/31/360143031.db2.gz	FQCGMXAPYZGTFW-RXMQYKEDSA-N	-1	0	289.118	1.537	40	0		CDABRM
C[C@@]12C=C[C@@H](O1)[C@H](C(=O)[O-])[C@H]2C(=O)Nc1ccc(F)cc1	ZINC000409378480	364073661	/nfs/dbraw/zinc/07/36/61/364073661.db2.gz	PWSFMDWDJYMDGR-YXMPFFBPSA-N	-1	0	291.278	1.809	40	0		CDABRM
COC(=O)[C@H]1C([O-])=C(C(C)=O)C(=O)C[C@@H]1c1ccccc1	ZINC000101140816	364276894	/nfs/dbraw/zinc/27/68/94/364276894.db2.gz	WOEWRLOEFTXBAJ-MRVWCRGKSA-N	-1	0	288.299	1.307	40	0		CDABRM
CO[C@H]1C(=O)N(c2cccc(Cl)c2)[C@@H]1C(=O)[O-]	ZINC000218277671	365258788	/nfs/dbraw/zinc/25/87/88/365258788.db2.gz	IYXCOHKBEBNXBW-DTWKUNHWSA-N	-1	0	255.657	1.155	40	0		CDABRM
O=C([O-])c1cc2cnn(-c3ccc(F)cc3)c2[nH]c1=O	ZINC000225810643	375210279	/nfs/dbraw/zinc/21/02/79/375210279.db2.gz	ZOZAVSCNNSEVRF-UHFFFAOYSA-N	-1	0	273.223	1.551	40	0		CDABRM
O=C([N-]C(=O)C(Cl)(Cl)Cl)NC[C@H]1CCCO1	ZINC000028251783	375223987	/nfs/dbraw/zinc/22/39/87/375223987.db2.gz	LNABCNQGZRJLAM-RXMQYKEDSA-N	-1	0	289.546	1.361	40	0		CDABRM
CC(C)(C)OC(=O)N[C@H](C(=O)[O-])C12CC(F)(C1)C2	ZINC000258830599	190038060	/nfs/dbraw/zinc/03/80/60/190038060.db2.gz	HSQJBHKVTZBYBG-JOYHGCSISA-N	-1	0	259.277	1.857	40	0		CDABRM
COc1cc2c(cc1/C=C/C(=O)[O-])OCCCO2	ZINC000228961216	295032186	/nfs/dbraw/zinc/03/21/86/295032186.db2.gz	SNGKLJXOXRHIMR-ONEGZZNKSA-N	-1	0	250.250	1.954	40	0		CDABRM
O=C([O-])c1nnn(C2CCCC2)c1Br	ZINC000218368145	391366033	/nfs/dbraw/zinc/36/60/33/391366033.db2.gz	WMVVTZVNKLJADH-UHFFFAOYSA-N	-1	0	260.091	1.854	40	0		CDABRM
COc1cc([C@@H]2COC(=O)[C@H]2C(=O)[O-])cc(OC)c1OC	ZINC000242687712	391944732	/nfs/dbraw/zinc/94/47/32/391944732.db2.gz	URRWGMJSIAKNBC-GZMMTYOYSA-N	-1	0	296.275	1.054	40	0		CDABRM
CCOc1cccc(C[NH2+]CCC(=O)[O-])c1OCC(=O)[O-]	ZINC000062716989	392803726	/nfs/dbraw/zinc/80/37/26/392803726.db2.gz	ZLLQVPYZSKRUCD-UHFFFAOYSA-N	-1	0	297.307	1.113	40	0		CDABRM
CC[C@@H]1CCCCN1C(=O)[C@@H]1[C@@H](C(=O)[O-])[C@H]2CC[C@@H]1O2	ZINC000005552510	287003595	/nfs/dbraw/zinc/00/35/95/287003595.db2.gz	FTIPGQBYOQOVSG-FHUSYTEZSA-N	-1	0	281.352	1.656	40	0		CDABRM
CC(C)CCn1cnc2c1nc(N)nc2SCC(=O)[O-]	ZINC000001684041	169740985	/nfs/dbraw/zinc/74/09/85/169740985.db2.gz	PNQMEMRVYMMLGZ-UHFFFAOYSA-N	-1	0	295.368	1.631	40	0		CDABRM
COc1cc(-c2ncc(C(=O)[O-])cn2)cc(OC)c1OC	ZINC000015418385	170665445	/nfs/dbraw/zinc/66/54/45/170665445.db2.gz	OVUBRZAJSQOZPR-UHFFFAOYSA-N	-1	0	290.275	1.868	40	0		CDABRM
Cc1cc(=O)n(-c2cc(S(=O)(=O)[O-])ccc2Cl)[nH]1	ZINC000022116478	171353423	/nfs/dbraw/zinc/35/34/23/171353423.db2.gz	JIDVKTFOIRORRL-UHFFFAOYSA-N	-1	0	288.712	1.374	40	0		CDABRM
O=C([O-])c1cnc(=O)[nH]c1C(F)(F)C(F)(F)F	ZINC000034398554	171838643	/nfs/dbraw/zinc/83/86/43/171838643.db2.gz	OQDBUJYJJDKBRP-UHFFFAOYSA-N	-1	0	258.102	1.535	40	0		CDABRM
Cc1nn(C)c(C(=O)[O-])c1I	ZINC000034588066	171845140	/nfs/dbraw/zinc/84/51/40/171845140.db2.gz	RWYDMHPDOOKLKF-UHFFFAOYSA-N	-1	0	266.038	1.031	40	0		CDABRM
CCOC(=O)C(=Cc1ccc(C(=O)[O-])cc1)C(=O)OCC	ZINC000035585981	172284499	/nfs/dbraw/zinc/28/44/99/172284499.db2.gz	FYXVLIZNIMVRBG-UHFFFAOYSA-N	-1	0	292.287	1.894	40	0		CDABRM
CCOC(=O)C=C([O-])c1ccc(S(=O)(=O)N(C)C)cc1	ZINC000044493813	175181597	/nfs/dbraw/zinc/18/15/97/175181597.db2.gz	HXOJARUKQSTSMZ-UHFFFAOYSA-N	-1	0	299.348	1.073	40	0		CDABRM
CC(=O)N1CCC[C@H](Cc2cncc(C(=O)[O-])c2)C1	ZINC000072344050	176372828	/nfs/dbraw/zinc/37/28/28/176372828.db2.gz	KGXRBEYBLOFYCT-LLVKDONJSA-N	-1	0	262.309	1.581	40	0		CDABRM
O=C([O-])[C@@H]1C(=O)NC[C@H]1c1cccc(Br)c1	ZINC000076727996	177071632	/nfs/dbraw/zinc/07/16/32/177071632.db2.gz	VTNOBLLZYPYDGE-IUCAKERBSA-N	-1	0	284.109	1.363	40	0		CDABRM
CC(=O)N[C@H](C(=O)[O-])c1ccc(Br)cc1	ZINC000041405606	278161208	/nfs/dbraw/zinc/16/12/08/278161208.db2.gz	VWLYVLCKSWLEIS-VIFPVBQESA-N	-1	0	272.098	1.711	40	0		CDABRM
CN1C(=O)CC[C@H](C(=O)[O-])[C@H]1c1ccc(F)cc1	ZINC000062702233	289805165	/nfs/dbraw/zinc/80/51/65/289805165.db2.gz	RRNIXCZCEGERKE-CMPLNLGQSA-N	-1	0	251.257	1.820	40	0		CDABRM
CCn1c2cc(Cl)c(C(=O)NC)cc2nc1C(=O)[O-]	ZINC000225730440	333182215	/nfs/dbraw/zinc/18/22/15/333182215.db2.gz	PHDKOVCTHIBGFB-UHFFFAOYSA-N	-1	0	281.699	1.767	40	0		CDABRM
Cc1cccc(-c2nnc(CS(=O)(=O)[O-])o2)c1	ZINC000408712124	534557344	/nfs/dbraw/zinc/55/73/44/534557344.db2.gz	SBXBIUIJKBZQTE-UHFFFAOYSA-N	-1	0	254.267	1.433	40	0		CDABRM
O=C([O-])c1ccc(OC[C@H](O)Cn2ccnc2)cc1	ZINC000027755812	1165707131	/nfs/dbraw/zinc/70/71/31/1165707131.db2.gz	ARCZEYWDJRNYOJ-LLVKDONJSA-N	-1	0	262.265	1.021	40	0		CDABRM
CCC(CC)NC(=O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)[O-]	ZINC000004651035	282212300	/nfs/dbraw/zinc/21/23/00/282212300.db2.gz	BKIIOWLWPIEGFE-QCZKYFFMSA-N	-1	0	251.326	1.814	40	0		CDABRM
O=C(CS(=O)(=O)[O-])c1ccc(Br)cc1	ZINC000001737490	355950421	/nfs/dbraw/zinc/95/04/21/355950421.db2.gz	YBKJPTKKMZYHIX-UHFFFAOYSA-N	-1	0	279.111	1.520	40	0		CDABRM
O=C([O-])CS(=O)(=O)Cc1ccc(Cl)cc1Cl	ZINC000001732148	355950522	/nfs/dbraw/zinc/95/05/22/355950522.db2.gz	IGHOQZIXSOUKCP-UHFFFAOYSA-N	-1	0	283.132	1.993	40	0		CDABRM
O=C([O-])c1cnc(-c2ccccc2)nc1N1CCOCC1	ZINC000006769849	356083492	/nfs/dbraw/zinc/08/34/92/356083492.db2.gz	NLNKPEIYVUIAJR-UHFFFAOYSA-N	-1	0	285.303	1.678	40	0		CDABRM
CCOc1cc(/C=C2\NC(=O)[N-]C2=O)ccc1OC	ZINC000015012686	356404197	/nfs/dbraw/zinc/40/41/97/356404197.db2.gz	KJBWCFLPCGBGKA-TWGQIWQCSA-N	-1	0	262.265	1.274	40	0		CDABRM
Cc1ccc([C@H]2C(C(=O)[O-])=C(C)Nc3ncnn32)cc1	ZINC000020153996	356528513	/nfs/dbraw/zinc/52/85/13/356528513.db2.gz	PIQFASCVLGKQAV-LBPRGKRZSA-N	-1	0	270.292	1.960	40	0		CDABRM
O=C([O-])Cc1cnc(CCc2ccccc2)[nH]c1=O	ZINC000049468667	357217686	/nfs/dbraw/zinc/21/76/86/357217686.db2.gz	LKLWRLYTQIWLSG-UHFFFAOYSA-N	-1	0	258.277	1.182	40	0		CDABRM
O=C([O-])[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C(=O)NCc1ccco1	ZINC000013147299	366450284	/nfs/dbraw/zinc/45/02/84/366450284.db2.gz	AAGKECVCOPVRLG-QCMRWSPLSA-N	-1	0	263.293	1.643	40	0		CDABRM
Cc1nc2n(n1)[C@H]([C@@H]1CC=CCC1)CC(C(=O)[O-])=N2	ZINC000102278454	358873904	/nfs/dbraw/zinc/87/39/04/358873904.db2.gz	SBJIMYFMZSFTHT-KOLCDFICSA-N	-1	0	260.297	1.878	40	0		CDABRM
O=C([O-])c1cnc(NC2CCCCCCC2)[nH]c1=O	ZINC000217673115	359018789	/nfs/dbraw/zinc/01/87/89/359018789.db2.gz	JKFSBYNDYOMZDC-UHFFFAOYSA-N	-1	0	265.313	1.993	40	0		CDABRM
O=C([O-])c1nn2c(c1Br)OCCCC2	ZINC000218297082	367261028	/nfs/dbraw/zinc/26/10/28/367261028.db2.gz	KNZGOJCEOAVIFS-UHFFFAOYSA-N	-1	0	261.075	1.516	40	0		CDABRM
CC(=O)c1cc(C(=O)[O-])c(=O)n(-c2cc(C)ccc2C)n1	ZINC000225965921	189768033	/nfs/dbraw/zinc/76/80/33/189768033.db2.gz	MMGOPDXVKDMEGD-UHFFFAOYSA-N	-1	0	286.287	1.750	40	0		CDABRM
O=C([O-])[C@H]1CCC(=O)N1Cc1cccc(Cl)c1	ZINC000000395894	373640569	/nfs/dbraw/zinc/64/05/69/373640569.db2.gz	HTTLIOSKZPIJHB-SNVBAGLBSA-N	-1	0	253.685	1.916	40	0		CDABRM
CCOC(=O)c1[n-]nc2c1C(=O)N(c1ccc(C)cc1)C2=O	ZINC000017887546	373745843	/nfs/dbraw/zinc/74/58/43/373745843.db2.gz	NDCQKEONDXQDLT-UHFFFAOYSA-N	-1	0	299.286	1.695	40	0		CDABRM
CC(C)(C)OC(=O)N[C@]1(C(=O)[O-])C[C@@H]1c1c[nH]cn1	ZINC000242649322	376042162	/nfs/dbraw/zinc/04/21/62/376042162.db2.gz	SBAYJNKQEYXXMD-JMCQJSRRSA-N	-1	0	267.285	1.245	40	0		CDABRM
O=C([O-])[C@H]1CCc2nc(-c3ccccc3)[nH]c(=O)c2C1	ZINC000212888067	304196351	/nfs/dbraw/zinc/19/63/51/304196351.db2.gz	OUYSUHCTDFAIIX-JTQLQIEISA-N	-1	0	270.288	1.626	40	0		CDABRM
O=c1[n-]cnc(C(F)(F)F)c1I	ZINC000140901440	377171294	/nfs/dbraw/zinc/17/12/94/377171294.db2.gz	CUCFZLFJNGYXRT-UHFFFAOYSA-N	-1	0	289.982	1.393	40	0		CDABRM
Cn1nc(C(=O)[O-])cc1C(=O)NCc1ccc(F)cc1	ZINC000002802390	378054533	/nfs/dbraw/zinc/05/45/33/378054533.db2.gz	MNJBJVNQILFSFY-UHFFFAOYSA-N	-1	0	277.255	1.187	40	0		CDABRM
O=C([O-])[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)Nc1ccc(F)c(F)c1	ZINC000006730905	304210670	/nfs/dbraw/zinc/21/06/70/304210670.db2.gz	COLXNDHAGKHBDF-KXNHARMFSA-N	-1	0	297.257	1.782	40	0		CDABRM
O=C1[N-]C(=O)/C(=C/c2ccc(C(F)(F)F)cc2)N1	ZINC000015012690	296355943	/nfs/dbraw/zinc/35/59/43/296355943.db2.gz	DDMMFVIYEKEYHR-YVMONPNESA-N	-1	0	256.183	1.886	40	0		CDABRM
CCS(=O)(=O)[C@@H]1[C@@H](C(=O)[O-])[C@H]1c1ccc(OC)cc1	ZINC000252515983	256689915	/nfs/dbraw/zinc/68/99/15/256689915.db2.gz	PBCDZGYGBDQEOZ-WOPDTQHZSA-N	-1	0	284.333	1.297	40	0		CDABRM
O=C([O-])c1cnn(-c2ccc(C(F)(F)F)cn2)n1	ZINC000089262157	304279777	/nfs/dbraw/zinc/27/97/77/304279777.db2.gz	UEMBGRNVKJMMAE-UHFFFAOYSA-N	-1	0	258.159	1.379	40	0		CDABRM
COc1cc(=O)n(CC(=O)[O-])nc1-c1cc(C)ccc1C	ZINC000095095453	184943125	/nfs/dbraw/zinc/94/31/25/184943125.db2.gz	TVWGNTGUSCBQMZ-UHFFFAOYSA-N	-1	0	288.303	1.620	40	0		CDABRM
COCCc1c(C)[n-]n(-c2nc3ccccc3[nH]2)c1=O	ZINC000014607934	391217654	/nfs/dbraw/zinc/21/76/54/391217654.db2.gz	HBGIRMFIQOHGES-UHFFFAOYSA-N	-1	0	272.308	1.952	40	0		CDABRM
CCS(=O)(=O)[C@@H]1[C@@H](c2ccc(C)cc2)[C@H]1C(=O)[O-]	ZINC000218351493	130768808	/nfs/dbraw/zinc/76/88/08/130768808.db2.gz	YTNBYGLMXBSEAY-QJPTWQEYSA-N	-1	0	268.334	1.596	40	0		CDABRM
CCS(=O)(=O)[C@@H]1[C@H](C(=O)[O-])[C@H]1c1ccc(OC)cc1	ZINC000252515982	392798159	/nfs/dbraw/zinc/79/81/59/392798159.db2.gz	PBCDZGYGBDQEOZ-UTUOFQBUSA-N	-1	0	284.333	1.297	40	0		CDABRM
C[C@@H]1CCc2nnc(N3CC[C@@H](C(=O)[O-])C3)cc2C1	ZINC000225586505	393195928	/nfs/dbraw/zinc/19/59/28/393195928.db2.gz	GLVGYDKGLBRXHY-NXEZZACHSA-N	-1	0	261.325	1.512	40	0		CDABRM
CCOc1ccc(N2N=C(C(=O)[O-])CCC2=O)cc1	ZINC000005004329	134653215	/nfs/dbraw/zinc/65/32/15/134653215.db2.gz	RSNLCBYZFXUPNP-UHFFFAOYSA-N	-1	0	262.265	1.653	40	0		CDABRM
O=C([O-])[C@@H]1CC(=O)N(Cc2cccc(Br)c2)C1	ZINC000008016401	170313774	/nfs/dbraw/zinc/31/37/74/170313774.db2.gz	NFVPDDAAHWXSLI-SECBINFHSA-N	-1	0	298.136	1.882	40	0		CDABRM
O=C(Nc1cccc(F)c1)c1c([O-])[nH]c(=S)[nH]c1=O	ZINC000008655231	170344136	/nfs/dbraw/zinc/34/41/36/170344136.db2.gz	JIGWRDXHGSZQLW-UHFFFAOYSA-N	-1	0	281.268	1.568	40	0		CDABRM
CC(C)Sc1nc(N)cc(SCC(=O)[O-])n1	ZINC000049470099	175481629	/nfs/dbraw/zinc/48/16/29/175481629.db2.gz	KJZJFRJHSCPOKN-UHFFFAOYSA-N	-1	0	259.356	1.736	40	0		CDABRM
COc1ccc(-c2cc(C(=O)[O-])cc(=O)n2C)c(OC)c1	ZINC000071645593	176239858	/nfs/dbraw/zinc/23/98/58/176239858.db2.gz	JNXXTURTQIYWQH-UHFFFAOYSA-N	-1	0	289.287	1.768	40	0		CDABRM
CC(C)C[C@H]([NH2+]Cc1ccccc1C(=O)[O-])C(=O)[O-]	ZINC000062718091	279193420	/nfs/dbraw/zinc/19/34/20/279193420.db2.gz	BEWDDYASMNPTPU-LBPRGKRZSA-N	-1	0	265.309	1.974	40	0		CDABRM
Cc1cc(C(=O)[O-])c(=O)n(-c2ccc(Cl)cc2)n1	ZINC000089263585	301150722	/nfs/dbraw/zinc/15/07/22/301150722.db2.gz	CXVBQORUDSLGKZ-UHFFFAOYSA-N	-1	0	264.668	1.893	40	0		CDABRM
Cc1cc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C(=O)[O-])no1	ZINC000006741492	301358495	/nfs/dbraw/zinc/35/84/95/301358495.db2.gz	VWKLZYXQRUKODN-DMWPJOQESA-N	-1	0	276.292	1.835	40	0		CDABRM
Cc1nc(C(=O)N2CCCC[C@H]2C(=O)[O-])cs1	ZINC000082242559	302550473	/nfs/dbraw/zinc/55/04/73/302550473.db2.gz	AIRFHLBYSCCHIZ-VIFPVBQESA-N	-1	0	254.311	1.531	40	0		CDABRM
NC(=O)N[C@](Cc1ccccc1)(C(=O)[O-])c1ccccc1	ZINC000001763748	303281609	/nfs/dbraw/zinc/28/16/09/303281609.db2.gz	LYUANZCKPXLJEM-INIZCTEOSA-N	-1	0	284.315	1.878	40	0		CDABRM
Cc1cc(C)n(CCNC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])n1	ZINC000035670912	1175549976	/nfs/dbraw/zinc/54/99/76/1175549976.db2.gz	VUUDQDFCQSHKRF-CHWSQXEVSA-N	-1	0	293.367	1.507	40	0		CDABRM
Cc1cc(C(=O)N2C[C@@H](C)[C@](C)(C(=O)[O-])C2)ccn1	ZINC000710201443	749889731	/nfs/dbraw/zinc/88/97/31/749889731.db2.gz	SHJZZGFGIDINPO-YMTOWFKASA-N	-1	0	262.309	1.573	40	0		CDABRM
C[C@@H](O)SC[C@@H](NC(=O)OCc1ccccc1)C(=O)[O-]	ZINC000584577596	346367404	/nfs/dbraw/zinc/36/74/04/346367404.db2.gz	MXGBSFISTWXCDB-GXSJLCMTSA-N	-1	0	299.348	1.438	40	0		CDABRM
O=S(=O)([O-])CC1(CCO)Cc2ccccc2C1	ZINC000228914715	347734481	/nfs/dbraw/zinc/73/44/81/347734481.db2.gz	GYMWZTHGZONKHY-UHFFFAOYSA-N	-1	0	256.323	1.042	40	0		CDABRM
O=C([O-])[C@@H]1C(=O)NC[C@@H]1c1cccc2ccccc21	ZINC000256050037	350908789	/nfs/dbraw/zinc/90/87/89/350908789.db2.gz	CKLDLZGMCMAFFZ-OLZOCXBDSA-N	-1	0	255.273	1.754	40	0		CDABRM
CCn1cc(S(=O)(=O)[N-]c2c(C)noc2C)cn1	ZINC000002803493	363094085	/nfs/dbraw/zinc/09/40/85/363094085.db2.gz	GTZJWQBBZXKDQL-UHFFFAOYSA-N	-1	0	270.314	1.309	40	0		CDABRM
Cn1ccc([N-]S(=O)(=O)c2cccc3cccnc32)n1	ZINC000014248697	366141022	/nfs/dbraw/zinc/14/10/22/366141022.db2.gz	TYOFFKCPGSTZOW-UHFFFAOYSA-N	-1	0	288.332	1.769	40	0		CDABRM
CCn1cc(C(=O)[O-])c(=O)c2cc3c(cc21)CCO3	ZINC000000001337	355879977	/nfs/dbraw/zinc/87/99/77/355879977.db2.gz	IIRVYWCKYUQJCL-UHFFFAOYSA-N	-1	0	259.261	1.655	40	0	in-man	CDABRM
C[C@@H](O)[C@H](NC(=O)SCc1ccccc1)C(=O)[O-]	ZINC000001677514	355946918	/nfs/dbraw/zinc/94/69/18/355946918.db2.gz	DQIYTXNSTIXVNX-SCZZXKLOSA-N	-1	0	269.322	1.463	40	0		CDABRM
CCOC(=O)/C(=C/c1ccc(OC)c(OC)c1)C(=O)[O-]	ZINC000001706005	355948548	/nfs/dbraw/zinc/94/85/48/355948548.db2.gz	IIRKMLGWDNHZQE-JXMROGBWSA-N	-1	0	280.276	1.735	40	0		CDABRM
COC(=O)C1=C([O-])c2ccccc2C[C@H]1C(=O)OC	ZINC000003847793	356010621	/nfs/dbraw/zinc/01/06/21/356010621.db2.gz	AOITZMIHIOPQMD-GHMZBOCLSA-N	-1	0	262.261	1.004	40	0		CDABRM
CC(C)CCNS(=O)(=O)c1ccsc1C(=O)[O-]	ZINC000015424115	356415932	/nfs/dbraw/zinc/41/59/32/356415932.db2.gz	FIDVPMQJEFZZMR-UHFFFAOYSA-N	-1	0	277.367	1.771	40	0		CDABRM
Cc1cc(CC(=O)N2CCCCC2)[n-]c(=N[N+](=O)[O-])n1	ZINC000017106322	356453844	/nfs/dbraw/zinc/45/38/44/356453844.db2.gz	MFWSDXQMQOJUNJ-FLIBITNWSA-N	-1	0	279.300	1.731	40	0		CDABRM
CCc1ccccc1N1C(=O)C[C@H](SCC(=O)[O-])C1=O	ZINC000016899731	356448131	/nfs/dbraw/zinc/44/81/31/356448131.db2.gz	HDPRXQSZNTUFFH-NSHDSACASA-N	-1	0	293.344	1.699	40	0		CDABRM
COc1ccc(Nc2[nH]c(=O)nc(N)c2N=O)cc1	ZINC000018145812	356468661	/nfs/dbraw/zinc/46/86/61/356468661.db2.gz	ZDVWCRHNXCSKQP-UHFFFAOYSA-N	-1	0	261.241	1.502	40	0		CDABRM
CC(C)[C@]1(c2cccs2)NC(=O)N(CC(=O)[O-])C1=O	ZINC000049728536	357221847	/nfs/dbraw/zinc/22/18/47/357221847.db2.gz	RWFACSVRRKQCRV-GFCCVEGCSA-N	-1	0	282.321	1.236	40	0		CDABRM
Cc1ccc(C[C@H](C(=O)[O-])N2CCOCC2)cc1C	ZINC000057550752	357360024	/nfs/dbraw/zinc/36/00/24/357360024.db2.gz	ZSUFZBWIVSONTP-CQSZACIVSA-N	-1	0	263.337	1.631	40	0		CDABRM
Cc1nnc(N2CCC[C@@H](C(=O)[O-])C2)c2cccn21	ZINC000096517291	357522233	/nfs/dbraw/zinc/52/22/33/357522233.db2.gz	VGVGPRWVSVCABF-SNVBAGLBSA-N	-1	0	260.297	1.339	40	0		CDABRM
O=C([O-])C1=Nc2ncnn2[C@@H](c2c[nH]c3ccccc32)C1	ZINC000102278215	358873848	/nfs/dbraw/zinc/87/38/48/358873848.db2.gz	FVCRXLNOEPMMLT-GFCCVEGCSA-N	-1	0	281.275	1.743	40	0		CDABRM
Cc1ccc(OCc2ncc(CC(=O)[O-])c(=O)[nH]2)cc1C	ZINC000217386436	358998008	/nfs/dbraw/zinc/99/80/08/358998008.db2.gz	NIUOAIKQZSIZBB-UHFFFAOYSA-N	-1	0	288.303	1.593	40	0		CDABRM
CCO[C@@H](Cc1cc(OC)ccc1OC)C(=O)[O-]	ZINC000225116429	359550768	/nfs/dbraw/zinc/55/07/68/359550768.db2.gz	ZGDSENZMMKDLAB-LBPRGKRZSA-N	-1	0	254.282	1.736	40	0		CDABRM
O=C([O-])Cc1c[nH]c(=S)n(-c2ccc(F)cc2)c1=O	ZINC000020156334	304087962	/nfs/dbraw/zinc/08/79/62/304087962.db2.gz	RMRCXRVOEKIRJU-UHFFFAOYSA-N	-1	0	280.280	1.661	40	0		CDABRM
NS(=O)(=O)c1cc(C(=O)[O-])ccc1NCc1ccco1	ZINC000205732235	189684736	/nfs/dbraw/zinc/68/47/36/189684736.db2.gz	XEXVJPJZWWSTPR-UHFFFAOYSA-N	-1	0	296.304	1.237	40	0		CDABRM
Cc1nc(C(=O)Nc2ccc(CC(=O)[O-])cc2)co1	ZINC000225009115	189743236	/nfs/dbraw/zinc/74/32/36/189743236.db2.gz	RIYSEMQTHWGLFX-UHFFFAOYSA-N	-1	0	260.249	1.862	40	0		CDABRM
CCS(=O)(=O)[C@H]1[C@@H](c2ccc(F)cc2)[C@H]1C(=O)[O-]	ZINC000218423937	368566225	/nfs/dbraw/zinc/56/62/25/368566225.db2.gz	XZUXFHCEUDLFLX-AXFHLTTASA-N	-1	0	272.297	1.427	40	0		CDABRM
[NH3+][C@H](CCCn1c(=O)c2ccccc2[n-]c1=S)C(=O)[O-]	ZINC000067172768	374395491	/nfs/dbraw/zinc/39/54/91/374395491.db2.gz	CVUOCTDWHRWPLN-SECBINFHSA-N	-1	0	293.348	1.251	40	0		CDABRM
COc1ccc(Cn2cc(C(=O)[O-])nn2)c(OC)c1OC	ZINC000256052679	374396974	/nfs/dbraw/zinc/39/69/74/374396974.db2.gz	OGVWYEMTOUKXCD-UHFFFAOYSA-N	-1	0	293.279	1.050	40	0		CDABRM
Cc1nc2[n-]c(C(F)(F)F)nn2c(=O)c1Cl	ZINC000100355213	374391160	/nfs/dbraw/zinc/39/11/60/374391160.db2.gz	NPBRBKPMCHBAFC-UHFFFAOYSA-N	-1	0	252.583	1.398	40	0		CDABRM
CO[C@@H](C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)c1ccccc1	ZINC000227873311	375639672	/nfs/dbraw/zinc/63/96/72/375639672.db2.gz	CSYOWDSJGOICMN-FRRDWIJNSA-N	-1	0	277.320	1.744	40	0		CDABRM
O=C([O-])[C@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)Nc1nccs1	ZINC000003893774	304212236	/nfs/dbraw/zinc/21/22/36/304212236.db2.gz	RDPDUAPMZVKZPJ-XGEHTFHBSA-N	-1	0	266.322	1.829	40	0		CDABRM
CCN1C(=O)C[C@@H](C(=O)[O-])[C@H]1c1ccc(OC)cc1	ZINC000022129942	285172338	/nfs/dbraw/zinc/17/23/38/285172338.db2.gz	KWBZJFGNEJPPKS-DGCLKSJQSA-N	-1	0	263.293	1.689	40	0		CDABRM
CCn1nc(C(C)(C)C(=O)[O-])c2ccccc2c1=O	ZINC000072209250	390421736	/nfs/dbraw/zinc/42/17/36/390421736.db2.gz	ZDFJXOIMJUAJEF-UHFFFAOYSA-N	-1	0	260.293	1.779	40	0		CDABRM
CCCn1cc([C@@H]2[C@H](C(=O)[O-])CCC(=O)N2C)cn1	ZINC000096515705	390532180	/nfs/dbraw/zinc/53/21/80/390532180.db2.gz	FRMNCPAELBJXCG-ZYHUDNBSSA-N	-1	0	265.313	1.287	40	0		CDABRM
O=C([O-])c1nnn(-c2ccccc2F)c1-n1cccc1	ZINC000096517296	390532565	/nfs/dbraw/zinc/53/25/65/390532565.db2.gz	WEWZJMNFMADHRH-UHFFFAOYSA-N	-1	0	272.239	1.895	40	0		CDABRM
CCS(=O)(=O)C1(c2nc(C)c(C(=O)[O-])s2)CCC1	ZINC000096531971	390541728	/nfs/dbraw/zinc/54/17/28/390541728.db2.gz	DTOZYXISZPHJMB-UHFFFAOYSA-N	-1	0	289.378	1.964	40	0		CDABRM
COc1ccc(C2=C(C(=O)[O-])S(=O)(=O)CC2)cc1	ZINC000072210210	390616757	/nfs/dbraw/zinc/61/67/57/390616757.db2.gz	QVEBILRWQJQWFS-UHFFFAOYSA-N	-1	0	268.290	1.309	40	0		CDABRM
Cc1ccc(C2=C(C(=O)[O-])S(=O)(=O)CC2)cc1	ZINC000072210211	390616915	/nfs/dbraw/zinc/61/69/15/390616915.db2.gz	MSIFAIUNOQPFME-UHFFFAOYSA-N	-1	0	252.291	1.609	40	0		CDABRM
O=C([O-])[C@H]1CCCN1C(=O)Cc1c[nH]c2ccccc12	ZINC000011890787	390915841	/nfs/dbraw/zinc/91/58/41/390915841.db2.gz	STGVBTJKCSSKNP-CYBMUJFWSA-N	-1	0	272.304	1.786	40	0	in-vitro	CDABRM
COCC[NH2+]Cc1cn(CC(=O)[O-])c2ccccc12	ZINC000062717175	391569980	/nfs/dbraw/zinc/56/99/80/391569980.db2.gz	FBPHNJCXJFHIRR-UHFFFAOYSA-N	-1	0	262.309	1.462	40	0		CDABRM
C[C@@]12CCN(C(=O)CCC(=O)[O-])[C@@H]1CC[C@@H](O)C2	ZINC000257341005	391649517	/nfs/dbraw/zinc/64/95/17/391649517.db2.gz	ZILFSXOUDULJGP-BREBYQMCSA-N	-1	0	255.314	1.003	40	0		CDABRM
O=C([O-])CC[C@@H]1NC(=O)N(Cc2ccc(Cl)cc2)C1=O	ZINC000218714180	130770452	/nfs/dbraw/zinc/77/04/52/130770452.db2.gz	KUMBCBPLBZHRLN-JTQLQIEISA-N	-1	0	296.710	1.625	40	0		CDABRM
CCC(=C([O-])c1ccc(OC)cc1)S(C)(=O)=O	ZINC000096518059	393188612	/nfs/dbraw/zinc/18/86/12/393188612.db2.gz	SEFMPVHTXHDGQF-NSHDSACASA-N	-1	0	256.323	1.701	40	0		CDABRM
CC(=O)N[C@@H](CSC[C@@H](O)c1ccccc1)C(=O)[O-]	ZINC000005167396	170073160	/nfs/dbraw/zinc/07/31/60/170073160.db2.gz	BHIBBNPGNZPUFZ-NWDGAFQWSA-N	-1	0	283.349	1.043	40	0	biogenic,in-vitro	CDABRM
CC(C)SCCOC(=O)[C@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)[O-]	ZINC000005328553	170085937	/nfs/dbraw/zinc/08/59/37/170085937.db2.gz	NVXLNAHUHMADBS-VLEAKVRGSA-N	-1	0	288.365	1.549	40	0		CDABRM
C[C@@H]1CC(=O)N=C(S[C@H](C(=O)[O-])c2ccccc2)N1	ZINC000008240610	170326298	/nfs/dbraw/zinc/32/62/98/170326298.db2.gz	SEODJMCFNJPFCL-KCJUWKMLSA-N	-1	0	278.333	1.810	40	0		CDABRM
CCN(CC)c1ccc2cc(C(=O)[O-])c(=O)oc2c1	ZINC000019701738	170841901	/nfs/dbraw/zinc/84/19/01/170841901.db2.gz	WHCPTFFIERCDSB-UHFFFAOYSA-O	-1	0	262.285	1.600	40	0		CDABRM
Cc1ccc(-c2noc(CCC(=O)[O-])n2)c(=O)n1C(C)C	ZINC000022121586	171353795	/nfs/dbraw/zinc/35/37/95/171353795.db2.gz	FDQTZEMOKCBXLG-UHFFFAOYSA-N	-1	0	291.307	1.805	40	0		CDABRM
O=C([O-])Cc1nc2nccc(-c3cccs3)n2n1	ZINC000035655490	172331440	/nfs/dbraw/zinc/33/14/40/172331440.db2.gz	AUAZJRVIRSDSSM-UHFFFAOYSA-N	-1	0	260.278	1.480	40	0		CDABRM
CCc1ncsc1C(=O)Nc1ccn(CC(=O)[O-])n1	ZINC000663145397	413996265	/nfs/dbraw/zinc/99/62/65/413996265.db2.gz	SFPBMTIBOHATMQ-UHFFFAOYSA-N	-1	0	280.309	1.239	40	0		CDABRM
CCOc1ccc(S(=O)(=O)[N-]c2nnc[nH]2)cc1C	ZINC000061844951	175656272	/nfs/dbraw/zinc/65/62/72/175656272.db2.gz	TUBLGOYQVMRTSC-UHFFFAOYSA-N	-1	0	282.325	1.313	40	0		CDABRM
CC(C)Oc1ccc([C@H]2CNC(=O)[C@@H]2C(=O)[O-])cc1	ZINC000076360001	177000961	/nfs/dbraw/zinc/00/09/61/177000961.db2.gz	VAWSZHIXCAWMOQ-VXGBXAGGSA-N	-1	0	263.293	1.388	40	0		CDABRM
Cc1c(I)cnn1[C@@H](C)C(=O)[O-]	ZINC000006254837	326818123	/nfs/dbraw/zinc/81/81/23/326818123.db2.gz	FTMKFOFPKCJESV-YFKPBYRVSA-N	-1	0	280.065	1.442	40	0		CDABRM
C[C@@H]1C(=O)C[C@@H]2[C@H]3[C@@H](O)C[C@@H](C(=O)[O-])[C@]21CC3(C)C	ZINC000248335174	753975288	/nfs/dbraw/zinc/97/52/88/753975288.db2.gz	MNWVNHAXLQLPLU-SQGOVNLXSA-N	-1	0	266.337	1.709	40	0	biogenic,in-vitro	CDABRM
O=C([O-])CCC(=O)Nc1ccc(-n2ccnc2)cc1	ZINC000082278351	967566724	/nfs/dbraw/zinc/56/67/24/967566724.db2.gz	HIXZISIKIBIQPF-UHFFFAOYSA-N	-1	0	259.265	1.676	40	0		CDABRM
CCN1C(=O)[C@H](N2CCCCC2)S/C1=C\C(=O)[O-]	ZINC000001872333	341986372	/nfs/dbraw/zinc/98/63/72/341986372.db2.gz	SJUZTKLDERKMSR-JLVNDZCYSA-N	-1	0	270.354	1.320	40	0		CDABRM
CCn1cnc2c1[C@H](C(=O)[O-])CN(Cc1ccco1)C2	ZINC000096067831	185085507	/nfs/dbraw/zinc/08/55/07/185085507.db2.gz	KSAUESQOHAVMLE-LLVKDONJSA-N	-1	0	275.308	1.680	40	0		CDABRM
CNc1ccc(S(=O)(=O)NCC(C)C)cc1C(=O)[O-]	ZINC000098141556	185694177	/nfs/dbraw/zinc/69/41/77/185694177.db2.gz	SVYZQCAKYAIHFE-UHFFFAOYSA-N	-1	0	286.353	1.361	40	0		CDABRM
CCCNc1nn(-c2ccccc2F)nc1C(=O)[O-]	ZINC000256048639	350908891	/nfs/dbraw/zinc/90/88/91/350908891.db2.gz	VCADTLBKXNFARN-UHFFFAOYSA-N	-1	0	264.260	1.927	40	0		CDABRM
CCN(CC)c1nn(-c2ccccc2OC)nc1C(=O)[O-]	ZINC000256049168	350908928	/nfs/dbraw/zinc/90/89/28/350908928.db2.gz	YOHBCEOOGLYRJM-UHFFFAOYSA-N	-1	0	290.323	1.820	40	0		CDABRM
CS(=O)(=O)[C@H]1[C@@H](c2cccc(Cl)c2)[C@H]1C(=O)[O-]	ZINC000218352771	366032456	/nfs/dbraw/zinc/03/24/56/366032456.db2.gz	NMSBOUCCONIQTC-AEJSXWLSSA-N	-1	0	274.725	1.551	40	0		CDABRM
CC(=O)N(CN1C(=O)CC[C@@H]1C(=O)[O-])c1ccccc1	ZINC000001650032	355944037	/nfs/dbraw/zinc/94/40/37/355944037.db2.gz	MRXQPMGMSNXFDV-GFCCVEGCSA-N	-1	0	276.292	1.073	40	0		CDABRM
CCN1C[C@H](C(=O)N[C@@H](C)C(=O)[O-])Cc2ccccc21	ZINC000001665434	355945334	/nfs/dbraw/zinc/94/53/34/355945334.db2.gz	FIFHGAVLXBBHKC-CMPLNLGQSA-N	-1	0	276.336	1.275	40	0		CDABRM
CC(C)[C@](C)(NS(=O)(=O)c1ccccc1)C(=O)[O-]	ZINC000002048390	355959459	/nfs/dbraw/zinc/95/94/59/355959459.db2.gz	RQTMHOGYWITPSY-LBPRGKRZSA-N	-1	0	271.338	1.464	40	0		CDABRM
CC[C@H](C)NC(=O)COc1c(C)cccc1C(=O)[O-]	ZINC000037729617	356920055	/nfs/dbraw/zinc/92/00/55/356920055.db2.gz	SGFQEPKIHQVXDD-JTQLQIEISA-N	-1	0	265.309	1.987	40	0		CDABRM
CC(C)C[C@H]([NH2+]Cc1ccc(C(=O)[O-])cc1)C(=O)[O-]	ZINC000062718081	357479456	/nfs/dbraw/zinc/47/94/56/357479456.db2.gz	ZEKZQZYUBVRWEK-LBPRGKRZSA-N	-1	0	265.309	1.974	40	0		CDABRM
O=C([O-])[C@@H]1CCCN(c2nc3ccccc3[nH]c2=O)C1	ZINC000096516228	357522151	/nfs/dbraw/zinc/52/21/51/357522151.db2.gz	RNXUFKXAIUIKQG-SECBINFHSA-N	-1	0	273.292	1.224	40	0		CDABRM
Cc1cc2ncc(C(=O)c3ccccc3)c(=O)n2[n-]1	ZINC000072221316	357826754	/nfs/dbraw/zinc/82/67/54/357826754.db2.gz	RVKMSJNBERSRDG-UHFFFAOYSA-N	-1	0	253.261	1.974	40	0		CDABRM
O=C([O-])[C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C(=O)NCc1ccco1	ZINC000013147298	366451159	/nfs/dbraw/zinc/45/11/59/366451159.db2.gz	AAGKECVCOPVRLG-BSJXLVFVSA-N	-1	0	263.293	1.643	40	0		CDABRM
O=C([O-])CNC(=O)C[N@@H+]1CCC[C@H](c2ccccc2)CC1	ZINC000225568909	358542436	/nfs/dbraw/zinc/54/24/36/358542436.db2.gz	NWWIVLLOPWZONU-AWEZNQCLSA-N	-1	0	290.363	1.457	40	0		CDABRM
CNc1ccc(C(=O)[O-])cc1S(=O)(=O)NC1CCCC1	ZINC000217703797	359020789	/nfs/dbraw/zinc/02/07/89/359020789.db2.gz	VZGLKXWUWMAHST-UHFFFAOYSA-N	-1	0	298.364	1.647	40	0		CDABRM
Cc1cc(C)c(OCc2ncc(C(=O)[O-])c(=O)[nH]2)c(C)c1	ZINC000217382934	358997149	/nfs/dbraw/zinc/99/71/49/358997149.db2.gz	YETGZPUVNMTWED-UHFFFAOYSA-N	-1	0	288.303	1.972	40	0		CDABRM
CCCC(=O)NC(=S)Nc1ccc(OCC(=O)[O-])cc1	ZINC000226358563	360696151	/nfs/dbraw/zinc/69/61/51/360696151.db2.gz	IKRDUVAYUWLFBC-UHFFFAOYSA-N	-1	0	296.348	1.763	40	0		CDABRM
CC(C)C[C@@H]([NH2+]Cc1ccc(C(=O)[O-])cc1)C(=O)[O-]	ZINC000062718082	364836265	/nfs/dbraw/zinc/83/62/65/364836265.db2.gz	ZEKZQZYUBVRWEK-GFCCVEGCSA-N	-1	0	265.309	1.974	40	0		CDABRM
Cc1ocnc1C(=O)NC[C@@H](CC(C)C)C(=O)[O-]	ZINC000225550964	189756672	/nfs/dbraw/zinc/75/66/72/189756672.db2.gz	PKUHADMVHPVGNT-SECBINFHSA-N	-1	0	254.286	1.460	40	0		CDABRM
COC(=O)c1c([O-])c2ccsc2n(C(C)C)c1=O	ZINC000575623593	372075403	/nfs/dbraw/zinc/07/54/03/372075403.db2.gz	VLJLIALAMJDGPM-MRVPVSSYSA-N	-1	0	267.306	1.475	40	0		CDABRM
O=S(=O)([N-]c1ccncc1)c1cncc(F)c1	ZINC000069673912	378517733	/nfs/dbraw/zinc/51/77/33/378517733.db2.gz	DRXOVKNRPRRJEU-UHFFFAOYSA-N	-1	0	253.258	1.417	40	0		CDABRM
O=C([O-])[C@](O)(c1ccc(Cl)cc1)C1(O)CCCC1	ZINC000008628015	304213083	/nfs/dbraw/zinc/21/30/83/304213083.db2.gz	QLQZACPSGYFUNX-CYBMUJFWSA-N	-1	0	270.712	1.917	40	0		CDABRM
Cc1cc(S(=O)(=O)[N-]c2nnc[nH]2)ccc1F	ZINC000041091293	379327488	/nfs/dbraw/zinc/32/74/88/379327488.db2.gz	VUTNNVAZACQMJM-UHFFFAOYSA-N	-1	0	256.262	1.053	40	0		CDABRM
COCCS(=O)(=O)[N-]C(=O)[C@@H]1C[C@@H]1C1CCCCC1	ZINC000174249739	379417072	/nfs/dbraw/zinc/41/70/72/379417072.db2.gz	NKIBYXHRYHNAFM-VXGBXAGGSA-N	-1	0	289.397	1.295	40	0		CDABRM
CC(C)=CC[C@]1(O)C(=O)c2ccccc2[C@@]1(O)C(=O)[O-]	ZINC000001871622	390141105	/nfs/dbraw/zinc/14/11/05/390141105.db2.gz	LVYYPCAHSWYNEJ-LSDHHAIUSA-N	-1	0	276.288	1.243	40	0		CDABRM
O=C([O-])c1ccc(CN2CCN(C3CC3)C2=O)cc1	ZINC000096517275	390532139	/nfs/dbraw/zinc/53/21/39/390532139.db2.gz	DCCZJPNUWCGNEM-UHFFFAOYSA-N	-1	0	260.293	1.785	40	0		CDABRM
O=C([O-])c1ccn(-c2nccn3nc(C4CC4)cc23)n1	ZINC000096517401	390533336	/nfs/dbraw/zinc/53/33/36/390533336.db2.gz	NUTRAWMYUOOYTO-UHFFFAOYSA-N	-1	0	269.264	1.491	40	0		CDABRM
Cc1noc(-c2ccc(N3CC[C@H](C(=O)[O-])C3)nc2)n1	ZINC000096516543	390534454	/nfs/dbraw/zinc/53/44/54/390534454.db2.gz	LAVBRYNLLHFKQL-JTQLQIEISA-N	-1	0	274.280	1.351	40	0		CDABRM
COC(=O)Cc1cc(Oc2ccc(C(=O)[O-])cc2)ncn1	ZINC000096531076	390541747	/nfs/dbraw/zinc/54/17/47/390541747.db2.gz	BWSKHHNCNKIPSG-UHFFFAOYSA-N	-1	0	288.259	1.683	40	0		CDABRM
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)Cc1c(F)cccc1F	ZINC000262396171	131218239	/nfs/dbraw/zinc/21/82/39/131218239.db2.gz	JFXCYLWNJSVXMX-ZETCQYMHSA-N	-1	0	293.291	1.200	40	0		CDABRM
O=C([O-])CC1CCN(C(=O)c2cnn3ccccc23)CC1	ZINC000224719665	393125047	/nfs/dbraw/zinc/12/50/47/393125047.db2.gz	OBENMPYOVLBKSO-UHFFFAOYSA-N	-1	0	287.319	1.661	40	0		CDABRM
O=C([O-])C1=C(c2ccccc2Br)COC1=O	ZINC000242495894	393184755	/nfs/dbraw/zinc/18/47/55/393184755.db2.gz	GRRKHFQFZOYZGA-UHFFFAOYSA-N	-1	0	283.077	1.844	40	0		CDABRM
O=C([O-])c1ccc(C(=O)N2CC[C@H]3CCC[C@@H]32)nc1	ZINC000378757143	393305365	/nfs/dbraw/zinc/30/53/65/393305365.db2.gz	YQCRULMDDDSEHG-SKDRFNHKSA-N	-1	0	260.293	1.794	40	0		CDABRM
Cc1ccncc1S(=O)(=O)[N-]C(=O)C[C@@H]1CC[C@H]2C[C@H]21	ZINC000408504003	160792727	/nfs/dbraw/zinc/79/27/27/160792727.db2.gz	UHEKLDPMIICDCM-SDDRHHMPSA-N	-1	0	294.376	1.631	40	0		CDABRM
Cc1nn(Cc2ccc(F)cc2)c(C)c1NC(=O)C(=O)[O-]	ZINC000002797974	169832250	/nfs/dbraw/zinc/83/22/50/169832250.db2.gz	MCGHAIITBOCYLJ-UHFFFAOYSA-N	-1	0	291.282	1.710	40	0		CDABRM
C[C@H](CCC[C@@H]1SC[C@H]2NC(=O)N[C@H]12)C(=O)[O-]	ZINC000005086395	170065204	/nfs/dbraw/zinc/06/52/04/170065204.db2.gz	UBBSLIBPXCFHDN-HXFLIBJXSA-N	-1	0	258.343	1.043	40	0	in-vitro	CDABRM
O=c1[n-]c(NCc2cccnc2)nnc1Cc1ccccc1	ZINC000005154622	170071299	/nfs/dbraw/zinc/07/12/99/170071299.db2.gz	LZIYYZQTFRAKPZ-UHFFFAOYSA-N	-1	0	293.330	1.763	40	0		CDABRM
C[C@@H](Nc1ncc2c(n1)-c1ccccc1OC2)C(=O)[O-]	ZINC000006491505	170206136	/nfs/dbraw/zinc/20/61/36/170206136.db2.gz	YLJJKDVWNYLTIE-MRVPVSSYSA-N	-1	0	271.276	1.921	40	0		CDABRM
O=C([O-])CCNS(=O)(=O)c1cc(Cl)ccc1Cl	ZINC000006525158	170210090	/nfs/dbraw/zinc/21/00/90/170210090.db2.gz	KTEVBDLCRWQHDG-UHFFFAOYSA-N	-1	0	298.147	1.746	40	0		CDABRM
C[C@@H]1CN(CCNc2ncccc2C(=O)[O-])[C@@H](C)CO1	ZINC000662884596	413654985	/nfs/dbraw/zinc/65/49/85/413654985.db2.gz	WORWNBDWBPWOLA-WDEREUQCSA-N	-1	0	279.340	1.301	40	0		CDABRM
Cc1ccc(Cc2nn3c(n[n-]c3=S)[nH]c2=O)cc1	ZINC000040163760	174196974	/nfs/dbraw/zinc/19/69/74/174196974.db2.gz	LRQZNXKFEHOIIK-UHFFFAOYSA-N	-1	0	273.321	1.413	40	0		CDABRM
COc1cccc(-c2noc([N-][C@H]3CCN(C)C3=O)n2)c1	ZINC000078295765	177330786	/nfs/dbraw/zinc/33/07/86/177330786.db2.gz	WSLACANUJJNORU-NSHDSACASA-N	-1	0	288.307	1.388	40	0		CDABRM
O=Cc1cc(Br)cn1CCCC(=O)[O-]	ZINC000078405519	177338657	/nfs/dbraw/zinc/33/86/57/177338657.db2.gz	VXOKQZADRRJYJI-UHFFFAOYSA-N	-1	0	260.087	1.928	40	0		CDABRM
CC[C@H]1CCCCN1C(=O)[C@H]1[C@@H](C(=O)[O-])[C@H]2CC[C@@H]1O2	ZINC000017008599	288194194	/nfs/dbraw/zinc/19/41/94/288194194.db2.gz	FTIPGQBYOQOVSG-YYHQMBLXSA-N	-1	0	281.352	1.656	40	0		CDABRM
Cc1nc2n(n1)[C@@H]([C@@H]1CC=CCC1)CC(C(=O)[O-])=N2	ZINC000102278462	302684092	/nfs/dbraw/zinc/68/40/92/302684092.db2.gz	SBJIMYFMZSFTHT-MWLCHTKSSA-N	-1	0	260.297	1.878	40	0		CDABRM
CCOc1cccc(-c2nnc(CS(=O)(=O)[O-])o2)c1	ZINC000408712119	528625838	/nfs/dbraw/zinc/62/58/38/528625838.db2.gz	DZWCYERLTSBXIL-UHFFFAOYSA-N	-1	0	284.293	1.523	40	0		CDABRM
O=C([O-])CN(C(=O)[C@@H]1CC1(Cl)Cl)C1CCOCC1	ZINC000238102572	600957163	/nfs/dbraw/zinc/95/71/63/600957163.db2.gz	JEGYMTSVKPRLQF-QMMMGPOBSA-N	-1	0	296.150	1.272	40	0		CDABRM
CC(C)c1nnc(NC(=O)c2nccnc2C(=O)[O-])s1	ZINC000071284774	1171712779	/nfs/dbraw/zinc/71/27/79/1171712779.db2.gz	LVZXOHRFJPJFBR-UHFFFAOYSA-N	-1	0	293.308	1.402	40	0		CDABRM
Cn1nc(OCCCO)c2ccc(C(=O)[O-])cc21	ZINC000225772262	230399779	/nfs/dbraw/zinc/39/97/79/230399779.db2.gz	BSBVJTKNBPBOHV-UHFFFAOYSA-N	-1	0	250.254	1.033	40	0		CDABRM
O=C([O-])CNC(=O)c1cc(Br)cs1	ZINC000082571917	178109271	/nfs/dbraw/zinc/10/92/71/178109271.db2.gz	ITAANFXJVRYAFR-UHFFFAOYSA-N	-1	0	264.100	1.325	40	0		CDABRM
O=C([O-])[C@@H](Cc1ccccc1)NC(=O)CCCCCO	ZINC000247380408	362107841	/nfs/dbraw/zinc/10/78/41/362107841.db2.gz	JCDXWOVJOYGIHS-CYBMUJFWSA-N	-1	0	279.336	1.351	40	0		CDABRM
O=C([O-])Cn1ncc(Br)c1C(F)F	ZINC000408715243	365728792	/nfs/dbraw/zinc/72/87/92/365728792.db2.gz	ABZSBTGJGGGHJY-UHFFFAOYSA-N	-1	0	255.018	1.668	40	0		CDABRM
C[C@@]1(CCC(=O)[O-])NC(=S)N(c2ccccc2)C1=O	ZINC000000225142	355897376	/nfs/dbraw/zinc/89/73/76/355897376.db2.gz	LCGDYSRIMLIYSK-ZDUSSCGKSA-N	-1	0	278.333	1.531	40	0		CDABRM
Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)[O-])cc2)cc1	ZINC000001669756	355946222	/nfs/dbraw/zinc/94/62/22/355946222.db2.gz	GOGOUCAAAPDXEH-UHFFFAOYSA-N	-1	0	292.316	1.768	40	0		CDABRM
Nc1cccc(S(=O)(=O)[N-]c2ncc(Cl)cn2)c1	ZINC000004194757	356021231	/nfs/dbraw/zinc/02/12/31/356021231.db2.gz	HWRUOPCDGPXWRR-UHFFFAOYSA-N	-1	0	284.728	1.513	40	0		CDABRM
CC(C)(C)NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1	ZINC000013074350	356337136	/nfs/dbraw/zinc/33/71/36/356337136.db2.gz	ZNHFCPLWSMAEGQ-UHFFFAOYSA-N	-1	0	275.301	1.601	40	0		CDABRM
CCn1cc(C(=O)[O-])c(=O)c2cc(OC)cc(OC)c21	ZINC000036720814	356878843	/nfs/dbraw/zinc/87/88/43/356878843.db2.gz	XECFZYWQARXPIS-UHFFFAOYSA-N	-1	0	277.276	1.737	40	0		CDABRM
COc1ccc([C@H](C)N2C[C@@H](C(=O)[O-])CC2=O)cc1	ZINC000049851450	357223408	/nfs/dbraw/zinc/22/34/08/357223408.db2.gz	JBOIQIRJYOXYDQ-ONGXEEELSA-N	-1	0	263.293	1.689	40	0		CDABRM
CCCCCCNC(=O)[C@@H]1[C@H]2C=C[C@H](O2)[C@@H]1C(=O)[O-]	ZINC000004613914	358616553	/nfs/dbraw/zinc/61/65/53/358616553.db2.gz	OINRSMJUULIMHA-KXNHARMFSA-N	-1	0	267.325	1.337	40	0		CDABRM
Cc1noc(C)c1CC(=O)N1CC[C@](C)(C(=O)[O-])C1	ZINC000062914004	358635728	/nfs/dbraw/zinc/63/57/28/358635728.db2.gz	SEAYIAGWVRLBNR-ZDUSSCGKSA-N	-1	0	266.297	1.157	40	0		CDABRM
O=C1C=C([O-])C(=O)N1c1ccc(Br)cc1	ZINC000104055181	358943442	/nfs/dbraw/zinc/94/34/42/358943442.db2.gz	JXOYQLCUHSFOBC-UHFFFAOYSA-N	-1	0	268.066	1.764	40	0		CDABRM
O=C([O-])[C@H]1[C@@H]2C=C[C@@H](CC2)[C@@H]1C(=O)NCc1ccncc1	ZINC000222427336	359341733	/nfs/dbraw/zinc/34/17/33/359341733.db2.gz	XKEZKORDMGWVRH-CRWXNKLISA-N	-1	0	286.331	1.611	40	0		CDABRM
COCCCn1nc(C(=O)[O-])c2ccccc2c1=O	ZINC000037754000	359455983	/nfs/dbraw/zinc/45/59/83/359455983.db2.gz	PFJKEMKKRJOPHZ-UHFFFAOYSA-N	-1	0	262.265	1.131	40	0		CDABRM
CCS(=O)(=O)[C@H]1[C@@H](C(=O)[O-])[C@@H]1c1ccc(Cl)cc1	ZINC000218375893	366724481	/nfs/dbraw/zinc/72/44/81/366724481.db2.gz	KHOFEQXEGIVQQE-GARJFASQSA-N	-1	0	288.752	1.941	40	0		CDABRM
O=C([O-])CO[C@@H]1CCCN(C(=O)OCc2ccccc2)C1	ZINC000023509068	367279497	/nfs/dbraw/zinc/27/94/97/367279497.db2.gz	OWOUQNFQFVZFEP-CYBMUJFWSA-N	-1	0	293.319	1.889	40	0		CDABRM
CC[C@H](C(=O)[O-])N1CC(=O)N(C(C)C)C(C)(C)C1	ZINC000358340201	367617049	/nfs/dbraw/zinc/61/70/49/367617049.db2.gz	PLRZGYRDCHPAPF-SNVBAGLBSA-N	-1	0	256.346	1.181	40	0		CDABRM
C[C@H](Cc1ccccc1F)C(=O)N[C@H](C)C(=O)[O-]	ZINC000225461871	189752509	/nfs/dbraw/zinc/75/25/09/189752509.db2.gz	WQSOCYHHAQRQIT-RKDXNWHRSA-N	-1	0	253.273	1.594	40	0		CDABRM
CCc1ccccc1S(=O)(=O)NC[C@@H](C(=O)[O-])C(C)C	ZINC000277286657	288591430	/nfs/dbraw/zinc/59/14/30/288591430.db2.gz	QKIRYAOFFNQCHZ-GFCCVEGCSA-N	-1	0	299.392	1.884	40	0		CDABRM
C[C@@H]1CCCN(C(=O)[C@H]2CCCOC2)[C@@H]1C(=O)[O-]	ZINC000235374025	296377871	/nfs/dbraw/zinc/37/78/71/296377871.db2.gz	RIAWKBOUZWNOPG-VWYCJHECSA-N	-1	0	255.314	1.125	40	0		CDABRM
CC(C)(Oc1cccc(CS(C)(=O)=O)c1)C(=O)[O-]	ZINC000096509677	390530508	/nfs/dbraw/zinc/53/05/08/390530508.db2.gz	MXYSHTKHTHXKTE-UHFFFAOYSA-N	-1	0	272.322	1.473	40	0		CDABRM
Cc1nnnn1[C@@H](Cc1ccccc1Cl)C(=O)[O-]	ZINC000072221050	390622201	/nfs/dbraw/zinc/62/22/01/390622201.db2.gz	HBYMTVRFYAMXSI-JTQLQIEISA-N	-1	0	266.688	1.503	40	0		CDABRM
Cc1c(Cl)cccc1-n1c(=O)[nH]cc(C(=O)[O-])c1=O	ZINC000078401828	390815493	/nfs/dbraw/zinc/81/54/93/390815493.db2.gz	SPVSXOAUVBDZBU-UHFFFAOYSA-N	-1	0	280.667	1.186	40	0		CDABRM
CO[C@@H](C(=O)[O-])[C@H]1CCCN1C(=O)OC(C)(C)C	ZINC000098181607	391248605	/nfs/dbraw/zinc/24/86/05/391248605.db2.gz	HNPBCAHTHZSMDP-RKDXNWHRSA-N	-1	0	259.302	1.486	40	0		CDABRM
CC(C)C[C@H]([NH2+]Cc1ccccc1OCC(=O)[O-])C(=O)[O-]	ZINC000062716872	391564689	/nfs/dbraw/zinc/56/46/89/391564689.db2.gz	TZHJAZKKQOVEIT-LBPRGKRZSA-N	-1	0	295.335	1.739	40	0		CDABRM
O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@@H]1C(=O)NCc1ccc(F)cc1	ZINC000006332632	170192790	/nfs/dbraw/zinc/19/27/90/170192790.db2.gz	FZOLVYIGAPVLEQ-XWUBHJNHSA-N	-1	0	289.306	1.965	40	0		CDABRM
CCCOc1ccc(CN2C[C@H](C(=O)[O-])CC2=O)cc1	ZINC000008016557	170313462	/nfs/dbraw/zinc/31/34/62/170313462.db2.gz	LQFBMIMUGZSMKM-GFCCVEGCSA-N	-1	0	277.320	1.909	40	0		CDABRM
O=C([O-])[C@H]1CC(=O)N(Cc2cccc(Br)c2)C1	ZINC000008016410	170313757	/nfs/dbraw/zinc/31/37/57/170313757.db2.gz	NFVPDDAAHWXSLI-VIFPVBQESA-N	-1	0	298.136	1.882	40	0		CDABRM
O=C([O-])C[C@@H]1SC(=O)N(c2cccc(O)c2)C1=O	ZINC000036635223	172643001	/nfs/dbraw/zinc/64/30/01/172643001.db2.gz	LIBGEOAQJYXLNM-QMMMGPOBSA-N	-1	0	267.262	1.435	40	0		CDABRM
O=C(CSc1ncccn1)[N-]OCc1ccccc1	ZINC000039582924	174170082	/nfs/dbraw/zinc/17/00/82/174170082.db2.gz	PDSCYMAHKXNKQH-UHFFFAOYSA-N	-1	0	275.333	1.817	40	0		CDABRM
O=C([O-])[C@@H](Cc1cccc(Cl)c1)N1CCOCC1	ZINC000041390622	174545096	/nfs/dbraw/zinc/54/50/96/174545096.db2.gz	HHCNUJLJHDHQJX-GFCCVEGCSA-N	-1	0	269.728	1.668	40	0		CDABRM
CCOc1ccccc1[C@@H]1N[C@@H](C(=O)[O-])Cc2[nH]cnc21	ZINC000071643662	176239482	/nfs/dbraw/zinc/23/94/82/176239482.db2.gz	MUGUBLVQTVJECG-YPMHNXCESA-N	-1	0	287.319	1.497	40	0		CDABRM
C[C@H]1Cc2ccccc2N1C(=O)[C@H]1[C@@H](C(=O)[O-])[C@H]2C=C[C@@H]1O2	ZINC000225704469	300547793	/nfs/dbraw/zinc/54/77/93/300547793.db2.gz	RMGIGDUVERBGPU-NBUQLFNLSA-N	-1	0	299.326	1.618	40	0		CDABRM
Cc1cc(C)c(/C=C2/NC(=O)N(CC(=O)[O-])C2=O)c(C)c1	ZINC000408595987	301161265	/nfs/dbraw/zinc/16/12/65/301161265.db2.gz	YLWUHXCPPWCTDI-WUXMJOGZSA-N	-1	0	288.303	1.589	40	0		CDABRM
O=C([O-])Cc1ccc(O)c(I)c1	ZINC000096334879	1161488972	/nfs/dbraw/zinc/48/89/72/1161488972.db2.gz	KIPADRQQDNIBER-UHFFFAOYSA-N	-1	0	278.045	1.624	40	0		CDABRM
Cc1ccccc1NC(=O)C[N-]C(=O)C(F)(F)F	ZINC000096582548	230385874	/nfs/dbraw/zinc/38/58/74/230385874.db2.gz	QFZPBSOYPBIWAW-UHFFFAOYSA-N	-1	0	260.215	1.612	40	0		CDABRM
Cc1nnc(S/C(=C\c2ccncc2)C(=O)[O-])o1	ZINC000408631578	230407658	/nfs/dbraw/zinc/40/76/58/230407658.db2.gz	KLPQXXJTSZTDMI-TWGQIWQCSA-N	-1	0	263.278	1.991	40	0		CDABRM
COc1ccc([C@H]2OC(=O)C[C@@H]2C(=O)[O-])c(OC)c1	ZINC000085394100	179048777	/nfs/dbraw/zinc/04/87/77/179048777.db2.gz	CDSGNMQCRQLZCR-JOYOIKCWSA-N	-1	0	266.249	1.393	40	0		CDABRM
COc1ccc([C@H]2OC(=O)C[C@H]2C(=O)[O-])cc1OC	ZINC000085394796	179049131	/nfs/dbraw/zinc/04/91/31/179049131.db2.gz	AOQFQFPZJVXXBO-PRHODGIISA-N	-1	0	266.249	1.393	40	0		CDABRM
CCO[N-]C(=O)CS(=O)(=O)c1c(C)cc(C)cc1C	ZINC000091351856	180137947	/nfs/dbraw/zinc/13/79/47/180137947.db2.gz	JOCVIAQSVDGHJI-UHFFFAOYSA-N	-1	0	285.365	1.453	40	0		CDABRM
CC(C)(C)OC(=O)N1CC[C@H](COCC(=O)[O-])C1	ZINC000002577458	355976046	/nfs/dbraw/zinc/97/60/46/355976046.db2.gz	MKNGUSJNWDTJDV-VIFPVBQESA-N	-1	0	259.302	1.345	40	0		CDABRM
O=C([O-])[C@H]1CC(c2ccc(Br)cc2)=NN1	ZINC000012651518	356315816	/nfs/dbraw/zinc/31/58/16/356315816.db2.gz	WQZBWDKFAAWVFZ-SECBINFHSA-N	-1	0	269.098	1.600	40	0		CDABRM
O=[P@@]([O-])(O)[C@@H](Nc1nc[nH]n1)c1ccccc1	ZINC000016477571	356440227	/nfs/dbraw/zinc/44/02/27/356440227.db2.gz	XRSNTJSZEMUFIB-MRVPVSSYSA-N	-1	0	254.186	1.093	40	0		CDABRM
C[C@]1(C(=O)[O-])C[C@@H](O)CN1C(=O)OCc1ccccc1	ZINC000087493183	357296275	/nfs/dbraw/zinc/29/62/75/357296275.db2.gz	FHOUWOVYDRADDP-BXUZGUMPSA-N	-1	0	279.292	1.233	40	0		CDABRM
CC(C)(C)OC(=O)[C@@H]1N[C@H](C(=O)[O-])Cc2ccccc21	ZINC000059940632	357437743	/nfs/dbraw/zinc/43/77/43/357437743.db2.gz	SFWUPCBUUHDRHB-NWDGAFQWSA-N	-1	0	277.320	1.668	40	0		CDABRM
CCC1=NC2(CCC(C(=O)[O-])CC2)C(=O)N1CCOC	ZINC000102915136	358896398	/nfs/dbraw/zinc/89/63/98/358896398.db2.gz	GEPASZGPPOKVSJ-UHFFFAOYSA-N	-1	0	282.340	1.297	40	0		CDABRM
CCC1(S(=O)(=O)[N-]C(=O)c2ccn(C)c2)CC1	ZINC000408493167	361372341	/nfs/dbraw/zinc/37/23/41/361372341.db2.gz	LKYBDBYXZXZNFK-UHFFFAOYSA-N	-1	0	256.327	1.027	40	0		CDABRM
O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)NCc1ccccc1	ZINC000003897483	364776642	/nfs/dbraw/zinc/77/66/42/364776642.db2.gz	QCXUJIJIBRKJBL-RQJABVFESA-N	-1	0	271.316	1.826	40	0		CDABRM
CCc1ccc([C@@H]2[C@H](C(=O)[O-])[C@@H]2S(C)(=O)=O)cc1	ZINC000218368559	367261764	/nfs/dbraw/zinc/26/17/64/367261764.db2.gz	MJYNCRFVIOEMOU-GRYCIOLGSA-N	-1	0	268.334	1.460	40	0		CDABRM
O=C([O-])[C@@H](C1CC1)n1nnc(-c2cccc(F)c2)n1	ZINC000630381428	368842806	/nfs/dbraw/zinc/84/28/06/368842806.db2.gz	OSMLSVVGIHCGEK-SNVBAGLBSA-N	-1	0	262.244	1.515	40	0		CDABRM
O=C([O-])[C@H]1C[C@H]1C(=O)NC1(c2ccccc2)CCC1	ZINC000225457557	374437070	/nfs/dbraw/zinc/43/70/70/374437070.db2.gz	CLDCQOAJGWQHCB-NEPJUHHUSA-N	-1	0	259.305	1.903	40	0		CDABRM
O=S(=O)(CCOc1ccccc1)c1ncc[n-]1	ZINC000172879814	377785418	/nfs/dbraw/zinc/78/54/18/377785418.db2.gz	APDKCACYDOVJQD-UHFFFAOYSA-N	-1	0	252.295	1.262	40	0		CDABRM
C[C@@H]1CCCN(C(=O)[C@H]2CCCOC2)[C@H]1C(=O)[O-]	ZINC000300274185	296377868	/nfs/dbraw/zinc/37/78/68/296377868.db2.gz	RIAWKBOUZWNOPG-OUAUKWLOSA-N	-1	0	255.314	1.125	40	0		CDABRM
COC(C)(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)[O-]	ZINC000096295486	256888819	/nfs/dbraw/zinc/88/88/19/256888819.db2.gz	UUKALFPYCSEDEX-NSHDSACASA-N	-1	0	281.308	1.791	40	0		CDABRM
Cc1ccc(NC(=O)Cc2sc3ncnn3c2[O-])cc1	ZINC000000556275	169667457	/nfs/dbraw/zinc/66/74/57/169667457.db2.gz	FTDSSJAKTWIZPG-JTQLQIEISA-N	-1	0	288.332	1.730	40	0		CDABRM
COC(=O)C1=C(C)N(c2ccccc2)C(=O)C[C@@H]1C(=O)[O-]	ZINC000020568875	390232703	/nfs/dbraw/zinc/23/27/03/390232703.db2.gz	UOPDCRUFXOPUMN-NSHDSACASA-N	-1	0	289.287	1.571	40	0		CDABRM
COCCOc1cc(C(=O)[O-])nn1Cc1ccccc1	ZINC000096510744	390530577	/nfs/dbraw/zinc/53/05/77/390530577.db2.gz	PSTAJHHTUPIQQU-UHFFFAOYSA-N	-1	0	276.292	1.655	40	0		CDABRM
CSCc1cccc(NC(=O)COCC(=O)[O-])c1	ZINC000096509660	390531121	/nfs/dbraw/zinc/53/11/21/390531121.db2.gz	DAJJWIKDTFCIHY-UHFFFAOYSA-N	-1	0	269.322	1.589	40	0		CDABRM
O=C([O-])c1ccn(-c2cc(C(F)(F)F)nc3ncnn32)n1	ZINC000096517388	390532721	/nfs/dbraw/zinc/53/27/21/390532721.db2.gz	POXGSQZRXDCXTR-UHFFFAOYSA-N	-1	0	298.184	1.027	40	0		CDABRM
O=C([O-])c1nnn(Cc2ccc(F)cc2)c1Cl	ZINC000072220893	390622285	/nfs/dbraw/zinc/62/22/85/390622285.db2.gz	WINJDNNJKZHGMZ-UHFFFAOYSA-N	-1	0	255.636	1.817	40	0		CDABRM
COC[C@]1(C(=O)[O-])[C@@H](c2ccc(C)cc2)[C@H]1S(C)(=O)=O	ZINC000242539042	391282089	/nfs/dbraw/zinc/28/20/89/391282089.db2.gz	JMQCFGHSOQXXMD-SCRDCRAPSA-N	-1	0	298.360	1.223	40	0		CDABRM
O=C(NCCS(=O)(=O)[O-])Nc1cccc(Cl)c1	ZINC000005568697	170114719	/nfs/dbraw/zinc/11/47/19/170114719.db2.gz	CMRPPWYMVFUDCC-UHFFFAOYSA-N	-1	0	278.717	1.349	40	0		CDABRM
O=C([O-])[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)Nc1ccccc1O	ZINC000005731321	170134247	/nfs/dbraw/zinc/13/42/47/170134247.db2.gz	ZSIOTNRWXQEMDQ-FQPOAREZSA-N	-1	0	273.288	1.854	40	0		CDABRM
O=C([O-])CCC(=O)Oc1ccc(O)c2c1CCCC2=O	ZINC000005767811	170138944	/nfs/dbraw/zinc/13/89/44/170138944.db2.gz	UQLBWCXNGFQJRR-UHFFFAOYSA-N	-1	0	278.260	1.681	40	0		CDABRM
CC(=O)c1nn(-c2ccc(C(=O)[O-])cc2)c(=N)s1	ZINC000006186646	170181525	/nfs/dbraw/zinc/18/15/25/170181525.db2.gz	RCSVNLZSERAPCX-UHFFFAOYSA-N	-1	0	263.278	1.314	40	0		CDABRM
O=c1cc(-c2ccccc2)[n-]n1-c1ccc2nncn2n1	ZINC000006280865	170188313	/nfs/dbraw/zinc/18/83/13/170188313.db2.gz	HFHMGUYVJJMYFZ-UHFFFAOYSA-N	-1	0	278.275	1.265	40	0		CDABRM
CNS(=O)(=O)c1ccc(NC2CCCC2)c(C(=O)[O-])c1	ZINC000013277062	170541951	/nfs/dbraw/zinc/54/19/51/170541951.db2.gz	FDWMDINCGCZOFG-UHFFFAOYSA-N	-1	0	298.364	1.647	40	0		CDABRM
O=C([O-])C=Cc1cccc(NC(=O)c2nc[nH]n2)c1	ZINC000035182981	172036549	/nfs/dbraw/zinc/03/65/49/172036549.db2.gz	MYTMEUSKOPBCAQ-SNAWJCMRSA-N	-1	0	258.237	1.155	40	0		CDABRM
O=S(=O)([N-]c1nn[nH]n1)c1ccc2ccccc2c1	ZINC000040483755	174287159	/nfs/dbraw/zinc/28/71/59/174287159.db2.gz	JZXPBEBESAXFPM-UHFFFAOYSA-N	-1	0	275.293	1.154	40	0		CDABRM
CCOc1ccccc1[C@H]1N[C@H](C(=O)[O-])Cc2[nH]cnc21	ZINC000071643663	176239615	/nfs/dbraw/zinc/23/96/15/176239615.db2.gz	MUGUBLVQTVJECG-WCQYABFASA-N	-1	0	287.319	1.497	40	0		CDABRM
CCSc1nn2c([n-]1)nc(-c1ccco1)cc2=O	ZINC000014164083	261784619	/nfs/dbraw/zinc/78/46/19/261784619.db2.gz	UYBDZNAHLWRKGI-UHFFFAOYSA-N	-1	0	262.294	1.790	40	0		CDABRM
O=C([O-])c1cnc(N[C@@H](CO)CC2CCCCC2)nc1	ZINC000520233988	265699584	/nfs/dbraw/zinc/69/95/84/265699584.db2.gz	MQRDLJYYCVUBKP-GFCCVEGCSA-N	-1	0	279.340	1.918	40	0		CDABRM
CC1=C[C@@H](C)[C@H](C(=O)[O-])[C@H](C(=O)N2CCN(C)CC2)C1	ZINC000005610802	281690049	/nfs/dbraw/zinc/69/00/49/281690049.db2.gz	WWKUJJPNJHOTEE-UPJWGTAASA-N	-1	0	280.368	1.064	40	0		CDABRM
CC1=C(C(=O)[O-])Sc2nnc(CC(C)C)n2N1	ZINC000009280300	281704497	/nfs/dbraw/zinc/70/44/97/281704497.db2.gz	QOFWOZFQMHGGPR-MRVPVSSYSA-N	-1	0	254.315	1.260	40	0		CDABRM
C[C@@H](C(=O)[O-])n1nnc(-c2ccc(Br)cc2)n1	ZINC000553964191	290140364	/nfs/dbraw/zinc/14/03/64/290140364.db2.gz	RTRPGUFUHOOUNR-LURJTMIESA-N	-1	0	297.112	1.748	40	0		CDABRM
CC(C)n1cc(/C=C/c2cc(C(=O)[O-])ncn2)nn1	ZINC000558453670	290395671	/nfs/dbraw/zinc/39/56/71/290395671.db2.gz	LARCPPVYQSUHHR-ONEGZZNKSA-N	-1	0	259.269	1.518	40	0		CDABRM
Cn1cncc1C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21	ZINC000236072844	303026783	/nfs/dbraw/zinc/02/67/83/303026783.db2.gz	OEHNSYYUQRIITB-DCAQKATOSA-N	-1	0	277.324	1.278	40	0		CDABRM
CC(C)C[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)CC(=O)[O-]	ZINC000002384832	483034341	/nfs/dbraw/zinc/03/43/41/483034341.db2.gz	KJIQRHBVNGRPCO-ZJUUUORDSA-N	-1	0	275.345	1.761	40	0		CDABRM
CCc1ccc2c(c1)c(=O)ccn2Cc1nnn[n-]1	ZINC000062719721	524059655	/nfs/dbraw/zinc/05/96/55/524059655.db2.gz	CNGBNFWQTDOVRC-UHFFFAOYSA-N	-1	0	255.281	1.125	40	0		CDABRM
O=C([O-])[C@@H]1CS[C@@H](Cc2ccc(Cl)cc2)C(=O)N1	ZINC000062712119	526289178	/nfs/dbraw/zinc/28/91/78/526289178.db2.gz	IGMGSHIQVNTTMM-UWVGGRQHSA-N	-1	0	285.752	1.567	40	0		CDABRM
Cc1nn(C)c(C)c1CNC(=O)[C@H]1CCCC[C@@H]1C(=O)[O-]	ZINC000032610725	1165725887	/nfs/dbraw/zinc/72/58/87/1165725887.db2.gz	ZGMPFRUTWZKQIV-RYUDHWBXSA-N	-1	0	293.367	1.544	40	0		CDABRM
C=CCCCCN(C)C(=O)[C@@H]1C[C@@H](O)C[C@H]1C(=O)[O-]	ZINC000114662482	782383529	/nfs/dbraw/zinc/38/35/29/782383529.db2.gz	UGNWNCQNJPILDW-IJLUTSLNSA-N	-1	0	269.341	1.273	40	0		CDABRM
O=C([O-])c1cc(NC(=O)C[C@@H]2CCOC2)ccn1	ZINC000401267210	940866239	/nfs/dbraw/zinc/86/62/39/940866239.db2.gz	RRUOGFUEBVQJNS-QMMMGPOBSA-N	-1	0	250.254	1.145	40	0		CDABRM
CC(=O)c1[nH]c(=O)n(-c2ccc(C(=O)[O-])cc2)c1C	ZINC000095532063	185004961	/nfs/dbraw/zinc/00/49/61/185004961.db2.gz	ZOVRYWPJNBSKMD-UHFFFAOYSA-N	-1	0	260.249	1.375	40	0		CDABRM
CCOc1ccc([C@H]2OC(=O)C[C@H]2C(=O)[O-])cc1OC	ZINC000085394813	179049219	/nfs/dbraw/zinc/04/92/19/179049219.db2.gz	IXTFDARLIDACQL-NOZJJQNGSA-N	-1	0	280.276	1.783	40	0		CDABRM
COC(=O)C=C(C)N[C@@H](C(=O)[O-])C1=CCC=CC1	ZINC000100174443	185707286	/nfs/dbraw/zinc/70/72/86/185707286.db2.gz	KLSJALAGRWLJNT-JLVNDZCYSA-N	-1	0	251.282	1.382	40	0		CDABRM
CC(=O)c1c([O-])cc(C)n(-c2ccc3c(c2)OCO3)c1=O	ZINC000085891729	179195927	/nfs/dbraw/zinc/19/59/27/179195927.db2.gz	BYDCWSAJFSMCAP-UHFFFAOYSA-N	-1	0	287.271	1.783	40	0		CDABRM
CCc1cccc(S(=O)(=O)NC[C@H](C(=O)[O-])C(C)C)c1	ZINC000275045882	365902664	/nfs/dbraw/zinc/90/26/64/365902664.db2.gz	RTNNDQNUYFFSKS-ZDUSSCGKSA-N	-1	0	299.392	1.884	40	0		CDABRM
CSc1nnc(C)n1[N-]C(=S)NC(=O)c1ccco1	ZINC000107848652	348741523	/nfs/dbraw/zinc/74/15/23/348741523.db2.gz	GKEWNTGCLRTIEZ-UHFFFAOYSA-N	-1	0	297.365	1.160	40	0		CDABRM
O=C([O-])c1csc(CNC(=O)CC[C@@H]2CCCO2)n1	ZINC000090932611	180066552	/nfs/dbraw/zinc/06/65/52/180066552.db2.gz	ZMLBVSBATTVHTF-QMMMGPOBSA-N	-1	0	284.337	1.417	40	0		CDABRM
C[C@H](CC(=O)[O-])N1CCN(CC(F)(F)F)CC1	ZINC000061941655	362953000	/nfs/dbraw/zinc/95/30/00/362953000.db2.gz	OOIFWLBNSADGHP-MRVPVSSYSA-N	-1	0	254.252	1.030	40	0		CDABRM
O=C([O-])CCC(=O)N1CCC2(CC1)CC=CCOC2	ZINC000257306352	304044403	/nfs/dbraw/zinc/04/44/03/304044403.db2.gz	STYAHDXNIQNHOM-UHFFFAOYSA-N	-1	0	267.325	1.437	40	0		CDABRM
Cc1ccc(NC(=O)[C@@H]2[C@@H](C(=O)[O-])[C@H]3C=C[C@@H]2O3)cc1	ZINC000001626797	355943193	/nfs/dbraw/zinc/94/31/93/355943193.db2.gz	ZUTLXYKCFKCEMK-RNJOBUHISA-N	-1	0	273.288	1.588	40	0		CDABRM
CC(=O)O[C@@H](C(=O)N[C@H](C(=O)[O-])C(C)C)c1ccccc1	ZINC000001707416	355948738	/nfs/dbraw/zinc/94/87/38/355948738.db2.gz	WBASBTDYIIRCIK-QWHCGFSZSA-N	-1	0	293.319	1.516	40	0		CDABRM
CC[C@H](C)Nc1ccc(S(=O)(=O)NC)cc1C(=O)[O-]	ZINC000013276767	356341350	/nfs/dbraw/zinc/34/13/50/356341350.db2.gz	CBNDNKMFMKWVLM-QMMMGPOBSA-N	-1	0	286.353	1.503	40	0		CDABRM
Cc1cc(S(=O)(=O)[N-]n2cnnc2)c(C)cc1Cl	ZINC000016780776	356446964	/nfs/dbraw/zinc/44/69/64/356446964.db2.gz	YYUGAJVOCYFDKO-UHFFFAOYSA-N	-1	0	286.744	1.481	40	0		CDABRM
O=c1[n-]c(CN2CCCCC2)nn1-c1ccccc1	ZINC000031667020	356767541	/nfs/dbraw/zinc/76/75/41/356767541.db2.gz	IOLRBFCWEPYARK-UHFFFAOYSA-N	-1	0	258.325	1.959	40	0		CDABRM
CCOC(=O)C1=C([O-])c2cnc(Cl)nc2N(CC)C1	ZINC000034263599	356811607	/nfs/dbraw/zinc/81/16/07/356811607.db2.gz	NYWPQRUVAYSHPO-QMMMGPOBSA-N	-1	0	283.715	1.332	40	0		CDABRM
O=C([O-])[C@H](Cc1ccccc1)NC(=O)c1cnco1	ZINC000082243619	358151152	/nfs/dbraw/zinc/15/11/52/358151152.db2.gz	WPZZZSNMPDYYQX-JTQLQIEISA-N	-1	0	260.249	1.100	40	0		CDABRM
CC(C)[C@H](C)NC(=O)c1ccccc1[N-]S(C)(=O)=O	ZINC000225199525	359559177	/nfs/dbraw/zinc/55/91/77/359559177.db2.gz	KJXAKQUYCHGRLE-JTQLQIEISA-N	-1	0	284.381	1.832	40	0		CDABRM
COc1ccc(N2CCN(CC(=O)[O-])C2=O)cc1	ZINC000075757295	360359746	/nfs/dbraw/zinc/35/97/46/360359746.db2.gz	VJHLANKTEHOZEC-UHFFFAOYSA-N	-1	0	250.254	1.022	40	0		CDABRM
CCc1cccc(S(=O)(=O)NC[C@@H](C(=O)[O-])C(C)C)c1	ZINC000275045880	192891351	/nfs/dbraw/zinc/89/13/51/192891351.db2.gz	RTNNDQNUYFFSKS-CYBMUJFWSA-N	-1	0	299.392	1.884	40	0		CDABRM
O=C([O-])CCNC(=O)NCc1cccc2cccnc21	ZINC000159475059	364215275	/nfs/dbraw/zinc/21/52/75/364215275.db2.gz	OZBDVQKOHBBLSY-UHFFFAOYSA-N	-1	0	273.292	1.509	40	0		CDABRM
COc1ccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)[O-])nc1	ZINC000016698156	366884449	/nfs/dbraw/zinc/88/44/49/366884449.db2.gz	UAQXYMNJNCIQAN-NSHDSACASA-N	-1	0	296.323	1.611	40	0		CDABRM
C[C@@H](NC(=O)[C@@H]1C2CCC(CC2)[C@@H]1C(=O)[O-])[C@H]1CCCO1	ZINC000006726298	296095043	/nfs/dbraw/zinc/09/50/43/296095043.db2.gz	AFIMWANBPBCXET-VKKCZRNHSA-N	-1	0	295.379	1.807	40	0		CDABRM
O=C([O-])[C@@H]1Cc2[nH]cnc2[C@H](c2cccc(F)c2)N1	ZINC000005818942	304151306	/nfs/dbraw/zinc/15/13/06/304151306.db2.gz	HGUJPIVNFSBYCA-QWRGUYRKSA-N	-1	0	261.256	1.237	40	0		CDABRM
Cc1cc(C(=O)[O-])c(=O)n(Cc2ccccc2F)n1	ZINC000225791601	375205582	/nfs/dbraw/zinc/20/55/82/375205582.db2.gz	MMWLQFLCPFXDPK-UHFFFAOYSA-N	-1	0	262.240	1.437	40	0		CDABRM
C[C@H](c1ccc(Cl)cc1)n1nnc(C(=O)[O-])c1N	ZINC000261507149	190040013	/nfs/dbraw/zinc/04/00/13/190040013.db2.gz	FYDQEBRPSTZRLG-ZCFIWIBFSA-N	-1	0	266.688	1.821	40	0		CDABRM
O=C([O-])COc1ccc2c(c1)CCC(=O)N2CC1CC1	ZINC000218784909	375979222	/nfs/dbraw/zinc/97/92/22/375979222.db2.gz	LCDIGOSCKNABIO-UHFFFAOYSA-N	-1	0	275.304	1.839	40	0		CDABRM
CC(C)(C)OC(=O)N1C[C@H](C(=O)[O-])C2(C1)CCOCC2	ZINC000091303329	377884447	/nfs/dbraw/zinc/88/44/47/377884447.db2.gz	DTRXZNCGAPCBBP-SNVBAGLBSA-N	-1	0	285.340	1.735	40	0		CDABRM
COCCS(=O)(=O)[N-]C(=O)[C@@H]1C[C@H]1C1CCCCC1	ZINC000174249762	379415560	/nfs/dbraw/zinc/41/55/60/379415560.db2.gz	NKIBYXHRYHNAFM-NWDGAFQWSA-N	-1	0	289.397	1.295	40	0		CDABRM
O=C1NC(=O)[C@]23CCCCc4cccc(c42)C([O-])=C13	ZINC000001580458	390139058	/nfs/dbraw/zinc/13/90/58/390139058.db2.gz	CAUZCEGHOIHNJU-IAQYHMDHSA-N	-1	0	255.273	1.120	40	0		CDABRM
Cc1[nH]c(=S)n(CCC(C)C)c(=O)c1CC(=O)[O-]	ZINC000020156405	391349779	/nfs/dbraw/zinc/34/97/79/391349779.db2.gz	AVDDMSHWVVAGSW-UHFFFAOYSA-N	-1	0	270.354	1.888	40	0		CDABRM
CC1=C[C@]23[C@H](C=C(C(=O)[O-])[C@H]2COC(=O)[C@]32CO2)[C@H]1C	ZINC000004982963	170048620	/nfs/dbraw/zinc/04/86/20/170048620.db2.gz	NUPNVWUYFVEAIT-VOARXTGESA-N	-1	0	276.288	1.152	40	0	in-vitro	CDABRM
CCC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)[O-]	ZINC000004996497	170051592	/nfs/dbraw/zinc/05/15/92/170051592.db2.gz	ITOUTPBZECRSID-SNVBAGLBSA-N	-1	0	291.756	1.872	40	0		CDABRM
CC(=O)CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-]	ZINC000005631681	170122053	/nfs/dbraw/zinc/12/20/53/170122053.db2.gz	VEGNCRDOWBNDMY-ZDUSSCGKSA-N	-1	0	288.303	1.259	40	0		CDABRM
C[C@H]1CC(=O)N=C(S[C@@H](C(=O)[O-])c2ccccc2)N1	ZINC000008298141	170329503	/nfs/dbraw/zinc/32/95/03/170329503.db2.gz	SEODJMCFNJPFCL-GZMMTYOYSA-N	-1	0	278.333	1.810	40	0		CDABRM
CC(C)(C)OC(=O)N[C@H](c1ccccc1F)[C@@H](O)C(=O)[O-]	ZINC000008700587	170346553	/nfs/dbraw/zinc/34/65/53/170346553.db2.gz	DRVAGMJRKFOTGK-GHMZBOCLSA-N	-1	0	299.298	1.837	40	0		CDABRM
CCCCNc1ccc2nnc(CCC(=O)[O-])n2n1	ZINC000040478762	174283420	/nfs/dbraw/zinc/28/34/20/174283420.db2.gz	PXOYSTMUIKOVDF-UHFFFAOYSA-N	-1	0	263.301	1.354	40	0		CDABRM
COc1cc([C@@H]2OC(=O)C[C@@H]2C(=O)[O-])ccc1O	ZINC000085394149	295021557	/nfs/dbraw/zinc/02/15/57/295021557.db2.gz	GCHAZABUIJYWGJ-CPCISQLKSA-N	-1	0	252.222	1.090	40	0		CDABRM
COc1ccccc1[C@@H](C(=O)[O-])N1CCOCC1	ZINC000016719062	295379572	/nfs/dbraw/zinc/37/95/72/295379572.db2.gz	GHFKZAVVHCNWRU-LBPRGKRZSA-N	-1	0	251.282	1.153	40	0		CDABRM
CCCCn1c2ccccc2nc1S(=O)(=O)[O-]	ZINC000005737399	326816915	/nfs/dbraw/zinc/81/69/15/326816915.db2.gz	YIAKIQVCJSSRCY-UHFFFAOYSA-O	-1	0	255.319	1.502	40	0		CDABRM
C[C@@H](C(=O)[O-])n1cnc2c1cncc2Br	ZINC000225742082	524302276	/nfs/dbraw/zinc/30/22/76/524302276.db2.gz	GPIPDVUXEJYXAJ-YFKPBYRVSA-N	-1	0	270.086	1.839	40	0		CDABRM
C=CCCCCN(C)C(=O)[C@@H]1C[C@@H](O)C[C@@H]1C(=O)[O-]	ZINC000166629732	897160477	/nfs/dbraw/zinc/16/04/77/897160477.db2.gz	UGNWNCQNJPILDW-UTUOFQBUSA-N	-1	0	269.341	1.273	40	0		CDABRM
COc1ncc(Cl)c(N[C@@H]2CCC[C@@H]2C(=O)[O-])n1	ZINC000157734357	934278678	/nfs/dbraw/zinc/27/86/78/934278678.db2.gz	IXWWDYQNZACFRF-POYBYMJQSA-N	-1	0	271.704	1.804	40	0		CDABRM
C[C@@H](Cn1cc(C(=O)[O-])cn1)C(=O)OC(C)(C)C	ZINC000408716152	365728807	/nfs/dbraw/zinc/72/88/07/365728807.db2.gz	JMCBYVOZDQLBDF-QMMMGPOBSA-N	-1	0	254.286	1.559	40	0		CDABRM
O=C1[N-]C(=O)[C@]2(CCc3cc(Br)ccc32)O1	ZINC000584648985	346506704	/nfs/dbraw/zinc/50/67/04/346506704.db2.gz	QGXOQPVPPXLVDX-LLVKDONJSA-N	-1	0	282.093	1.857	40	0		CDABRM
O=C1[N-]C(=O)N(c2cccnc2)C(=O)/C1=C/c1ccco1	ZINC000006971055	348732046	/nfs/dbraw/zinc/73/20/46/348732046.db2.gz	LNKKJKWQKVDXIW-YRNVUSSQSA-N	-1	0	283.243	1.341	40	0		CDABRM
CC(C)(C)OC(=O)N1CC[C@H]2O[C@H](C(=O)[O-])CC[C@H]21	ZINC000091303563	180130384	/nfs/dbraw/zinc/13/03/84/180130384.db2.gz	NUZRIMJKEIXVTQ-BBBLOLIVSA-N	-1	0	271.313	1.628	40	0		CDABRM
COc1cccc(-c2ccc(=O)n(CCCC(=O)[O-])n2)c1	ZINC000061966110	362958593	/nfs/dbraw/zinc/95/85/93/362958593.db2.gz	PBBHZFATLYOHNE-UHFFFAOYSA-N	-1	0	288.303	1.784	40	0		CDABRM
O=C([O-])C1CCN(c2ncnc3c2CCCC3)CC1	ZINC000094871393	304042580	/nfs/dbraw/zinc/04/25/80/304042580.db2.gz	IDZVOIMWCONVRH-UHFFFAOYSA-N	-1	0	261.325	1.656	40	0		CDABRM
COCCNC(=S)Nc1ccc(OCC(=O)[O-])cc1	ZINC000408586638	356005957	/nfs/dbraw/zinc/00/59/57/356005957.db2.gz	PKBLDFOOQUATIP-UHFFFAOYSA-N	-1	0	284.337	1.083	40	0		CDABRM
C[C@H](CN(C(=O)c1cccn1C)C1CC1)C(=O)[O-]	ZINC000225552935	356045210	/nfs/dbraw/zinc/04/52/10/356045210.db2.gz	CUWVHPNDDMTJPG-SECBINFHSA-N	-1	0	250.298	1.350	40	0		CDABRM
COc1cc(C(=S)N(C)C)ccc1OCC(=O)[O-]	ZINC000013547288	356348314	/nfs/dbraw/zinc/34/83/14/356348314.db2.gz	FCNWLQWPRQTBSX-UHFFFAOYSA-N	-1	0	269.322	1.396	40	0		CDABRM
O=C(Nc1ccc(Cl)cc1)Nc1nc([O-])cc(=O)[nH]1	ZINC000016428457	356438922	/nfs/dbraw/zinc/43/89/22/356438922.db2.gz	SXHDYLVLPDLASH-UHFFFAOYSA-N	-1	0	280.671	1.773	40	0		CDABRM
CCCN(CCC)C(=O)[C@@H]1[C@@H](C(=O)[O-])[C@H]2CC[C@@H]1O2	ZINC000016991608	283205499	/nfs/dbraw/zinc/20/54/99/283205499.db2.gz	CBLLLOOLSCFRGH-USZNOCQGSA-N	-1	0	269.341	1.513	40	0		CDABRM
C[C@H]1CCCC[C@@H]1NC(=O)[C@H]1[C@@H](C(=O)[O-])[C@H]2CC[C@@H]1O2	ZINC000017008588	357618291	/nfs/dbraw/zinc/61/82/91/357618291.db2.gz	ZKUKAPRFCHJVNA-NFXCPBFJSA-N	-1	0	281.352	1.560	40	0		CDABRM
O=C([O-])[C@@H]1C[C@]12c1ccccc1N(CC1CC1)C2=O	ZINC000096243473	358724841	/nfs/dbraw/zinc/72/48/41/358724841.db2.gz	ZDDGMDKINHMITI-NHYWBVRUSA-N	-1	0	257.289	1.786	40	0		CDABRM
CC[C@H](C)NC(=O)COc1ccc(C(=O)[O-])cc1OC	ZINC000013419778	366470035	/nfs/dbraw/zinc/47/00/35/366470035.db2.gz	RIBIJVPYFSGJRU-VIFPVBQESA-N	-1	0	281.308	1.687	40	0		CDABRM
O=C([O-])c1cnc(CN2CCN(c3ccccc3)CC2)nc1	ZINC000217343842	358994197	/nfs/dbraw/zinc/99/41/97/358994197.db2.gz	XCTKUXBLYSTUFW-UHFFFAOYSA-N	-1	0	298.346	1.497	40	0		CDABRM
Cc1cccc(OCc2nc(C)c(CC(=O)[O-])c(=O)[nH]2)c1	ZINC000217390134	358998256	/nfs/dbraw/zinc/99/82/56/358998256.db2.gz	SRGLMKSJMJKFQU-UHFFFAOYSA-N	-1	0	288.303	1.593	40	0		CDABRM
CC(C)NS(=O)(=O)c1ccc(NC2CC2)c(C(=O)[O-])c1	ZINC000217545907	359008703	/nfs/dbraw/zinc/00/87/03/359008703.db2.gz	WNSAUYPAFDAJEI-UHFFFAOYSA-N	-1	0	298.364	1.646	40	0		CDABRM
COc1ccc(C)cc1C[C@H](C(=O)[O-])N1CCOCC1	ZINC000225148853	359553169	/nfs/dbraw/zinc/55/31/69/359553169.db2.gz	CYWHOTKRNGZBHY-CYBMUJFWSA-N	-1	0	279.336	1.332	40	0		CDABRM
Cc1nc(NC(=O)[C@H]2[C@@H](C(=O)[O-])[C@H]3C=C[C@@H]2O3)sc1C	ZINC000226545801	359700815	/nfs/dbraw/zinc/70/08/15/359700815.db2.gz	JTQRSRCJNVBAHX-JLIMGVALSA-N	-1	0	294.332	1.353	40	0		CDABRM
O=C([O-])[C@H]1CC=CC[C@H]1C(=O)NCCc1ccncc1	ZINC000000808161	364240719	/nfs/dbraw/zinc/24/07/19/364240719.db2.gz	WIFRIQKOEKPSMK-OLZOCXBDSA-N	-1	0	274.320	1.407	40	0		CDABRM
Nc1ncnc2c1ncn2Cc1ccc(C(=O)[O-])cc1	ZINC000001697327	364412507	/nfs/dbraw/zinc/41/25/07/364412507.db2.gz	FOKJFISCUPXSMA-UHFFFAOYSA-N	-1	0	269.264	1.155	40	0		CDABRM
CC(=O)Nc1ccc(OCc2ncc(C(=O)[O-])cn2)cc1	ZINC000217379744	189709725	/nfs/dbraw/zinc/70/97/25/189709725.db2.gz	VUCQYSVHRCAIQV-UHFFFAOYSA-N	-1	0	287.275	1.712	40	0		CDABRM
CC(C)CS(=O)(=O)c1ccc(OCC(=O)[O-])cc1	ZINC000218302894	365418653	/nfs/dbraw/zinc/41/86/53/365418653.db2.gz	HCZUQTFEHBZFJR-UHFFFAOYSA-N	-1	0	272.322	1.580	40	0		CDABRM
COC(=O)c1ccc(NC(=O)CSCCC(=O)[O-])cc1	ZINC000016805988	366924587	/nfs/dbraw/zinc/92/45/87/366924587.db2.gz	XOBGLQAREURQRB-UHFFFAOYSA-N	-1	0	297.332	1.620	40	0		CDABRM
Cc1ccc(F)cc1NC(=O)[C@@H]1[C@H]2C=C[C@H](O2)[C@@H]1C(=O)[O-]	ZINC000017022555	367008268	/nfs/dbraw/zinc/00/82/68/367008268.db2.gz	PDOYOFIPRBTXAS-XQHKEYJVSA-N	-1	0	291.278	1.727	40	0		CDABRM
CC(=O)NC(=S)Nc1cc(C(=O)[O-])ccc1C	ZINC000000569788	367050916	/nfs/dbraw/zinc/05/09/16/367050916.db2.gz	IQQLCVGBAHPEHM-UHFFFAOYSA-N	-1	0	252.295	1.526	40	0		CDABRM
CCOC(=O)Cc1cnc(C(Cl)(Cl)Cl)[n-]c1=O	ZINC000225011630	189743258	/nfs/dbraw/zinc/74/32/58/189743258.db2.gz	SBKUNVGAHLNVPA-UHFFFAOYSA-N	-1	0	299.541	1.702	40	0		CDABRM
O=C([O-])CNC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1F	ZINC000225456830	374434624	/nfs/dbraw/zinc/43/46/24/374434624.db2.gz	RPQXTRWDRLOWAS-BDAKNGLRSA-N	-1	0	255.220	1.269	40	0		CDABRM
CCOc1cc(N2CCC[C@H](C(=O)[O-])C2)ncn1	ZINC000079438830	374405883	/nfs/dbraw/zinc/40/58/83/374405883.db2.gz	IVISBZMPQWVVOU-VIFPVBQESA-N	-1	0	251.286	1.176	40	0		CDABRM
COc1ccc(CN2C(=O)CC[C@@H]2C(=O)[O-])cc1OC	ZINC000011727238	374462036	/nfs/dbraw/zinc/46/20/36/374462036.db2.gz	BXQFWBMEAYSNJQ-SNVBAGLBSA-N	-1	0	279.292	1.279	40	0		CDABRM
O=C([O-])Cn1ccn2nc(-c3ccccc3)cc2c1=O	ZINC000070459050	374663781	/nfs/dbraw/zinc/66/37/81/374663781.db2.gz	KHIXNFHBMSEIIZ-UHFFFAOYSA-N	-1	0	269.260	1.248	40	0		CDABRM
CS(=O)(=O)[C@H]1[C@@H](C(=O)[O-])[C@@H]1c1ccc(F)cc1	ZINC000218395450	375827635	/nfs/dbraw/zinc/82/76/35/375827635.db2.gz	PZNYIXZVPPJWHX-LPEHRKFASA-N	-1	0	258.270	1.037	40	0		CDABRM
COc1cc(C[NH2+]CCCC(=O)[O-])ccc1OCC(=O)[O-]	ZINC000062716922	256721692	/nfs/dbraw/zinc/72/16/92/256721692.db2.gz	YRNLUBXZFZBRHS-UHFFFAOYSA-N	-1	0	297.307	1.113	40	0		CDABRM
Cc1c(C(=O)[O-])cnc2nc(-c3ccccc3)nn21	ZINC000020342920	256810008	/nfs/dbraw/zinc/81/00/08/256810008.db2.gz	BXAONRPKJVBOFU-UHFFFAOYSA-N	-1	0	254.249	1.798	40	0		CDABRM
COc1nn(C)c2ccc(SCC(=O)[O-])cc12	ZINC000225774131	533299292	/nfs/dbraw/zinc/29/92/92/533299292.db2.gz	WMAQGHYKBUHBDG-UHFFFAOYSA-N	-1	0	252.295	1.759	40	0		CDABRM
CCCN(CC(=O)[O-])C(=O)c1ccc2c(c1)CCC(=O)N2	ZINC000223860018	130797645	/nfs/dbraw/zinc/79/76/45/130797645.db2.gz	QISWYOKGXYFTFR-UHFFFAOYSA-N	-1	0	290.319	1.508	40	0		CDABRM
CC(C)[C@@H]([NH2+]Cc1cccc(OCC(=O)[O-])c1)C(=O)[O-]	ZINC000062717100	392803936	/nfs/dbraw/zinc/80/39/36/392803936.db2.gz	YQISOYGXVWDLIF-CYBMUJFWSA-N	-1	0	281.308	1.349	40	0		CDABRM
CCOc1cc(N2CCC[C@@H](C(=O)[O-])C2)nc(SC)n1	ZINC000083321078	135016977	/nfs/dbraw/zinc/01/69/77/135016977.db2.gz	QKLPQRUHHSVEHA-SECBINFHSA-N	-1	0	297.380	1.898	40	0		CDABRM
O=C([O-])C1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H]2C=C[C@H]1O2	ZINC000004726974	170006737	/nfs/dbraw/zinc/00/67/37/170006737.db2.gz	SYPJHQTVUMXLAM-VHSXEESVSA-N	-1	0	291.690	1.997	40	0		CDABRM
C[C@@H](CCC[C@H]1SC[C@H]2NC(=O)N[C@H]12)C(=O)[O-]	ZINC000005086391	170065195	/nfs/dbraw/zinc/06/51/95/170065195.db2.gz	UBBSLIBPXCFHDN-KDXUFGMBSA-N	-1	0	258.343	1.043	40	0	in-vitro	CDABRM
Nc1ccccc1C(=O)N[C@H](Cc1ccccc1)C(=O)[O-]	ZINC000005616777	170120224	/nfs/dbraw/zinc/12/02/24/170120224.db2.gz	CDGIMWSYQRLCDM-CQSZACIVSA-N	-1	0	284.315	1.695	40	0		CDABRM
CC(=O)N(CN1C(=O)CC[C@H]1C(=O)[O-])c1ccc(C)cc1	ZINC000005831429	170145086	/nfs/dbraw/zinc/14/50/86/170145086.db2.gz	UNJCNMHGYJVWCT-ZDUSSCGKSA-N	-1	0	290.319	1.381	40	0		CDABRM
Cc1ccc(C)n1N(CC(=O)[O-])C(=O)c1ccco1	ZINC000008729221	170350294	/nfs/dbraw/zinc/35/02/94/170350294.db2.gz	VRCVCGFKQGIAAX-UHFFFAOYSA-N	-1	0	262.265	1.561	40	0		CDABRM
CC(=O)c1cccc(NC(=O)c2c(C(=O)[O-])cnn2C)c1	ZINC000012397510	170484498	/nfs/dbraw/zinc/48/44/98/170484498.db2.gz	WIUXIMKFSFEMPD-UHFFFAOYSA-N	-1	0	287.275	1.573	40	0		CDABRM
C[C@H](NC(=O)Cn1cc(C(=O)[O-])cn1)c1ccccc1	ZINC000020326045	171150885	/nfs/dbraw/zinc/15/08/85/171150885.db2.gz	RLYCFBRLFKGARS-JTQLQIEISA-N	-1	0	273.292	1.459	40	0		CDABRM
COc1cccc([C@H]2[C@H](C(=O)[O-])CC(=O)N2C2CC2)c1	ZINC000045922772	175386635	/nfs/dbraw/zinc/38/66/35/175386635.db2.gz	CLJPQWVXKXAHGQ-OCCSQVGLSA-N	-1	0	275.304	1.832	40	0		CDABRM
CC(C)(C)OC(=O)N1C[C@H]2CC[C@H](C(=O)[O-])[C@H]2C1	ZINC000091304137	278419018	/nfs/dbraw/zinc/41/90/18/278419018.db2.gz	IGOINSQCZOTTQA-UTLUCORTSA-N	-1	0	255.314	1.964	40	0		CDABRM
NC(=O)[C@H]1CC(=O)N(c2cc(Cl)c([O-])c(Cl)c2)C1	ZINC000057327770	303324157	/nfs/dbraw/zinc/32/41/57/303324157.db2.gz	FQCGMXAPYZGTFW-YFKPBYRVSA-N	-1	0	289.118	1.537	40	0		CDABRM
COc1cc(C(=S)N2CCCC2)ccc1OCC(=O)[O-]	ZINC000013547775	326840482	/nfs/dbraw/zinc/84/04/82/326840482.db2.gz	DHAGKWKYEJXPPZ-UHFFFAOYSA-N	-1	0	295.360	1.930	40	0		CDABRM
Cc1cccc(C[C@@H]2SC[C@H](C(=O)[O-])NC2=O)c1	ZINC000062712075	524468813	/nfs/dbraw/zinc/46/88/13/524468813.db2.gz	XXXXFLVQVMJCGD-MNOVXSKESA-N	-1	0	265.334	1.222	40	0		CDABRM
CC(=O)CCC(=O)c1c(OC(C)=O)cc(O)cc1C(=O)[O-]	ZINC001570007665	1170058005	/nfs/dbraw/zinc/05/80/05/1170058005.db2.gz	ZVNOLUHFTHTVTF-UHFFFAOYSA-N	-1	0	294.259	1.568	40	0		CDABRM
Cc1cc(C)n(CCNC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])n1	ZINC000035670908	1175549958	/nfs/dbraw/zinc/54/99/58/1175549958.db2.gz	VUUDQDFCQSHKRF-OLZOCXBDSA-N	-1	0	293.367	1.507	40	0		CDABRM
Cc1ccc(S(=O)(=O)N2CC3(CC(C(=O)[O-])C3)C2)cc1	ZINC000096028512	342468320	/nfs/dbraw/zinc/46/83/20/342468320.db2.gz	QJEGJKGFGGSEOL-UHFFFAOYSA-N	-1	0	295.360	1.480	40	0		CDABRM
COC[C@]1(C(=O)[O-])CCCN1C(=O)c1scnc1C	ZINC000643853372	361939099	/nfs/dbraw/zinc/93/90/99/361939099.db2.gz	YSXHBYFFQSVOEV-LBPRGKRZSA-N	-1	0	284.337	1.157	40	0		CDABRM
O=C([O-])[C@H](CNC(=O)[C@@H]1CCCCO1)CC1CC1	ZINC000405442301	345449833	/nfs/dbraw/zinc/44/98/33/345449833.db2.gz	VVXGVOUZTJWQBE-QWRGUYRKSA-N	-1	0	255.314	1.173	40	0		CDABRM
O=C([O-])NC[C@@H](O)c1ccc(Br)cc1	ZINC000116507803	348742620	/nfs/dbraw/zinc/74/26/20/348742620.db2.gz	RHMRXGNZSLVMOC-MRVPVSSYSA-N	-1	0	260.087	1.750	40	0		CDABRM
CCOc1ccccc1-n1nc(NC)c(C(=O)[O-])n1	ZINC000256048208	350908092	/nfs/dbraw/zinc/90/80/92/350908092.db2.gz	RKJIZCPFBJRXRY-UHFFFAOYSA-N	-1	0	262.269	1.406	40	0		CDABRM
CCNS(=O)(=O)c1ccc(N2CCCC2)c(C(=O)[O-])c1	ZINC000167034035	188641074	/nfs/dbraw/zinc/64/10/74/188641074.db2.gz	AFXYQIJNYYVLGO-UHFFFAOYSA-N	-1	0	298.364	1.283	40	0		CDABRM
COCCS(=O)(=O)[N-]C(=O)[C@H]1C[C@@H]1C1CCCCC1	ZINC000174249750	188888579	/nfs/dbraw/zinc/88/85/79/188888579.db2.gz	NKIBYXHRYHNAFM-NEPJUHHUSA-N	-1	0	289.397	1.295	40	0		CDABRM
O=C([O-])c1ccc(CNC(=O)c2cccnc2)cc1	ZINC000001511141	355938063	/nfs/dbraw/zinc/93/80/63/355938063.db2.gz	IBWCJJLECNRHNS-UHFFFAOYSA-N	-1	0	256.261	1.710	40	0		CDABRM
O=C([O-])CCNC(=O)CSc1nncc2ccccc21	ZINC000016545123	356440997	/nfs/dbraw/zinc/44/09/97/356440997.db2.gz	SEZRZNQSRASLAZ-UHFFFAOYSA-N	-1	0	291.332	1.313	40	0		CDABRM
Cc1cc(=O)n(-c2ccccc2S(=O)(=O)[O-])[nH]1	ZINC000016607331	356443106	/nfs/dbraw/zinc/44/31/06/356443106.db2.gz	FHOSUHKLSWNJJZ-UHFFFAOYSA-N	-1	0	254.267	1.046	40	0		CDABRM
CCOC(=O)[C@@H]1CC[C@@H](C(=O)[O-])N1Cc1ccccc1	ZINC000047844956	357166843	/nfs/dbraw/zinc/16/68/43/357166843.db2.gz	LYSIHBBDEZQRJU-STQMWFEESA-N	-1	0	277.320	1.667	40	0		CDABRM
Cc1cccc(OCc2ncc(C(=O)[O-])c(=O)[nH]2)c1C	ZINC000058038154	357374676	/nfs/dbraw/zinc/37/46/76/357374676.db2.gz	UVEAGGNJSKRNRD-UHFFFAOYSA-N	-1	0	274.276	1.664	40	0		CDABRM
Cc1cccc(C[C@H](C(=O)[O-])N2CCOCC2)c1C	ZINC000057550760	357360406	/nfs/dbraw/zinc/36/04/06/357360406.db2.gz	LNXNPKSKOCLKLB-CQSZACIVSA-N	-1	0	263.337	1.631	40	0		CDABRM
O=C([O-])c1ccccc1C(=O)N1CCC[C@H](CO)C1	ZINC000036227112	358024357	/nfs/dbraw/zinc/02/43/57/358024357.db2.gz	WENMDSNRFUYDEI-JTQLQIEISA-N	-1	0	263.293	1.229	40	0		CDABRM
COc1ccc(Nc2cc(CC(=O)[O-])ncn2)cc1	ZINC000084610998	358239413	/nfs/dbraw/zinc/23/94/13/358239413.db2.gz	UERWNYOSSZWVIW-UHFFFAOYSA-N	-1	0	259.265	1.856	40	0		CDABRM
C[C@]12C=C[C@H](O1)[C@H]1C(=O)N(c3ccc(C(=O)[O-])cc3)C(=O)[C@@H]12	ZINC000005017923	358655994	/nfs/dbraw/zinc/65/59/94/358655994.db2.gz	JTGVFHJDSDWBNF-XSUJLISDSA-N	-1	0	299.282	1.218	40	0		CDABRM
O=C1O[C@H]([C@H]2COC3(CCCCC3)O2)C([O-])=C1O	ZINC000100024684	358818086	/nfs/dbraw/zinc/81/80/86/358818086.db2.gz	SKQBFUVTZXIHLB-GMSGAONNSA-N	-1	0	256.254	1.315	40	0		CDABRM
CCOC(=O)C(=C(C)[O-])C(=O)c1ccc(F)cc1	ZINC000100206749	358822783	/nfs/dbraw/zinc/82/27/83/358822783.db2.gz	DFMUUSKTWLWWMV-LLVKDONJSA-N	-1	0	252.241	1.777	40	0		CDABRM
CCO[C@H](Cc1cc(OC)ccc1OC)C(=O)[O-]	ZINC000225116466	359551020	/nfs/dbraw/zinc/55/10/20/359551020.db2.gz	ZGDSENZMMKDLAB-GFCCVEGCSA-N	-1	0	254.282	1.736	40	0		CDABRM
O=C([O-])[C@@H]1C[C@@H]2c3ccccc3N[C@@H]2[C@@H]2CCC(=O)N21	ZINC000226326331	359678899	/nfs/dbraw/zinc/67/88/99/359678899.db2.gz	ZOJBHIDKMQCKNB-XVSYOHENSA-N	-1	0	272.304	1.412	40	0		CDABRM
CS(=O)(=O)[C@H]1[C@@H](c2ccc(Cl)cc2)[C@H]1C(=O)[O-]	ZINC000218354483	361549770	/nfs/dbraw/zinc/54/97/70/361549770.db2.gz	NPOQREJGMUQCHA-AEJSXWLSSA-N	-1	0	274.725	1.551	40	0		CDABRM
CCCn1cc(Br)c2[n-][nH]c(=N)c2c1=O	ZINC000575422469	364839506	/nfs/dbraw/zinc/83/95/06/364839506.db2.gz	HBAGZDMDLJWBBK-UHFFFAOYSA-N	-1	0	271.118	1.310	40	0		CDABRM
CC(C)CCn1cc(Br)c2[n-][nH]c(=N)c2c1=O	ZINC000575423108	364843263	/nfs/dbraw/zinc/84/32/63/364843263.db2.gz	KMGZYQCBRFDAOJ-UHFFFAOYSA-N	-1	0	299.172	1.946	40	0		CDABRM
Cc1ccc(NC(=O)[C@H]2[C@@H](C(=O)[O-])[C@H]3C=C[C@@H]2O3)c(C)c1	ZINC000169293865	365036298	/nfs/dbraw/zinc/03/62/98/365036298.db2.gz	ZVVJKZOQIXYVMF-DGAVXFQQSA-N	-1	0	287.315	1.896	40	0		CDABRM
COc1ccc(C(=O)[O-])cc1S(=O)(=O)C(F)F	ZINC000218300677	365378738	/nfs/dbraw/zinc/37/87/38/365378738.db2.gz	NUQLQHZUGLYEFQ-UHFFFAOYSA-N	-1	0	266.221	1.390	40	0		CDABRM
O=C([O-])c1ccc(C(=O)NCC(=O)N2CCCCC2)cc1	ZINC000134432835	369555368	/nfs/dbraw/zinc/55/53/68/369555368.db2.gz	ZAFBNGISVOUFGL-UHFFFAOYSA-N	-1	0	290.319	1.127	40	0		CDABRM
COc1cc2c(=O)ccn(CC(=O)[O-])c2cc1Cl	ZINC000064874634	374240206	/nfs/dbraw/zinc/24/02/06/374240206.db2.gz	NMRRZUXJVOIQKJ-UHFFFAOYSA-N	-1	0	267.668	1.748	40	0		CDABRM
CCOc1cc(N2CCCC[C@@H]2C(=O)[O-])ncn1	ZINC000079438841	374405670	/nfs/dbraw/zinc/40/56/70/374405670.db2.gz	SQFPKUCSHYYMOS-SECBINFHSA-N	-1	0	251.286	1.319	40	0		CDABRM
O=Cc1ccc(N[C@@H](/C=C/C=C/CO)CC(=O)[O-])cc1	ZINC000031162593	375752037	/nfs/dbraw/zinc/75/20/37/375752037.db2.gz	DRKWUQGWCYRVJI-WTWSJCBWSA-N	-1	0	275.304	1.859	40	0	biogenic,in-vitro	CDABRM
CCc1nnc(Sc2ccc(C(=O)[O-])cc2N)[nH]1	ZINC000070462387	377034740	/nfs/dbraw/zinc/03/47/40/377034740.db2.gz	QOBPOPVBCZFMQQ-UHFFFAOYSA-N	-1	0	264.310	1.799	40	0		CDABRM
CC(=O)c1ccc(CN2C[C@@H](C(=O)[O-])CC2=O)cc1	ZINC000080343753	177644161	/nfs/dbraw/zinc/64/41/61/177644161.db2.gz	FMVUADSKVIIQNU-LBPRGKRZSA-N	-1	0	261.277	1.322	40	0		CDABRM
O=C([O-])c1cnn2cc(I)ccc12	ZINC000221290523	304280061	/nfs/dbraw/zinc/28/00/61/304280061.db2.gz	USRMZLSAVLOZFQ-UHFFFAOYSA-N	-1	0	288.044	1.637	40	0		CDABRM
Cc1nc2ccccc2c(N2CC[C@@H](C(=O)[O-])C2)n1	ZINC000096516013	390533455	/nfs/dbraw/zinc/53/34/55/390533455.db2.gz	UQPGOWIPDHBOSM-SNVBAGLBSA-N	-1	0	257.293	1.849	40	0		CDABRM
CC[C@@]1(C)N=C(c2ccc(F)cc2)C(=O)N1CC(=O)[O-]	ZINC000096516409	390534666	/nfs/dbraw/zinc/53/46/66/390534666.db2.gz	BPYDIWNYWURHCM-AWEZNQCLSA-N	-1	0	278.283	1.668	40	0		CDABRM
O=C([O-])c1ccc(Cn2cnc3c(c2=O)CCCC3)cc1	ZINC000096531051	390540919	/nfs/dbraw/zinc/54/09/19/390540919.db2.gz	DZQWIWHMWWFSIO-UHFFFAOYSA-N	-1	0	284.315	1.869	40	0		CDABRM
CC(C)Cn1nc2c(cc1=O)C[C@@H](C(=O)[O-])CC2	ZINC000096531424	390542055	/nfs/dbraw/zinc/54/20/55/390542055.db2.gz	RETQLVVWGJJPJS-VIFPVBQESA-N	-1	0	250.298	1.089	40	0		CDABRM
CSc1nn2c([n-]1)nc(-c1ccc(F)cc1)cc2=O	ZINC000014164058	391204687	/nfs/dbraw/zinc/20/46/87/391204687.db2.gz	XUKQFUSQIBPGDN-UHFFFAOYSA-N	-1	0	276.296	1.946	40	0		CDABRM
CCC(=C([O-])c1ccc(OC)cc1)S(C)(=O)=O	ZINC000096518060	393187786	/nfs/dbraw/zinc/18/77/86/393187786.db2.gz	SEFMPVHTXHDGQF-LLVKDONJSA-N	-1	0	256.323	1.701	40	0		CDABRM
C[C@H]1CCCN(C(=O)Cc2ccc(O)cc2)[C@@H]1C(=O)[O-]	ZINC000235635358	140236429	/nfs/dbraw/zinc/23/64/29/140236429.db2.gz	RRONQWLTAOVUJS-HZMBPMFUSA-N	-1	0	277.320	1.646	40	0		CDABRM
Cc1ccc(S(=O)(=O)[N-]C(=S)N2CCCC2)cc1	ZINC000005375767	170091282	/nfs/dbraw/zinc/09/12/82/170091282.db2.gz	UZYQEETZMSRROC-UHFFFAOYSA-N	-1	0	284.406	1.654	40	0		CDABRM
C[C@@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)[O-]	ZINC000006824101	170246914	/nfs/dbraw/zinc/24/69/14/170246914.db2.gz	QVXJTAYSHMLIOB-RXMQYKEDSA-N	-1	0	298.147	1.745	40	0		CDABRM
CC(C)CC(=O)NC(=S)Nc1ccc(C(=O)[O-])c(O)c1	ZINC000020151379	171037532	/nfs/dbraw/zinc/03/75/32/171037532.db2.gz	RNQRUFQPXHODSZ-UHFFFAOYSA-N	-1	0	296.348	1.950	40	0		CDABRM
CC(C)c1cc(C(F)(F)F)n2nc(CC(=O)[O-])nc2n1	ZINC000035655500	172331873	/nfs/dbraw/zinc/33/18/73/172331873.db2.gz	FASPJZHINGWBDV-UHFFFAOYSA-N	-1	0	288.229	1.894	40	0		CDABRM
Cc1cc(=O)c2cc(Cl)ccc2n1Cc1nnn[n-]1	ZINC000040175747	174201858	/nfs/dbraw/zinc/20/18/58/174201858.db2.gz	GGECJWJTXJFPTB-UHFFFAOYSA-N	-1	0	275.699	1.525	40	0		CDABRM
O=C([O-])[C@@H]1CC(=O)N(c2ccccc2N2CCCC2)C1	ZINC000045958748	175389477	/nfs/dbraw/zinc/38/94/77/175389477.db2.gz	NZWRBQSXQUHAHV-LLVKDONJSA-N	-1	0	274.320	1.724	40	0		CDABRM
CCn1cc([N-]S(=O)(=O)c2cccc(COC)c2)cn1	ZINC000072240284	176348075	/nfs/dbraw/zinc/34/80/75/176348075.db2.gz	GLKNNXWQDANBTL-UHFFFAOYSA-N	-1	0	295.364	1.850	40	0		CDABRM
CCn1ncc(-c2ccnc3c2c(C(=O)[O-])nn3C)c1C	ZINC000072339607	176371411	/nfs/dbraw/zinc/37/14/11/176371411.db2.gz	FNHYLOCFLIDFTP-UHFFFAOYSA-N	-1	0	285.307	1.858	40	0		CDABRM
CC(=O)O[C@H]1CCC(=O)[C@@H]2[C@@H](C(=O)[O-])CCC[C@H]12	ZINC000001699862	278221840	/nfs/dbraw/zinc/22/18/40/278221840.db2.gz	XJAOIOPKJIPADH-QCZKYFFMSA-N	-1	0	254.282	1.398	40	0		CDABRM
Cc1cn2nc(C(=O)[O-])cc2c(N2CCCCC2)n1	ZINC000096516398	302328306	/nfs/dbraw/zinc/32/83/06/302328306.db2.gz	URQOVFKUFGHZTR-UHFFFAOYSA-N	-1	0	260.297	1.726	40	0		CDABRM
Cc1nc2c(c(N3CCC(C(=O)[O-])CC3)n1)CCC2	ZINC000096516875	302647641	/nfs/dbraw/zinc/64/76/41/302647641.db2.gz	VCONBMPQJRNRSB-UHFFFAOYSA-N	-1	0	261.325	1.575	40	0		CDABRM
Nc1cc(F)c(N2CCC(O)CC2)cc1C(=O)[O-]	ZINC000050019358	303493693	/nfs/dbraw/zinc/49/36/93/303493693.db2.gz	NBSOARKXTXLCBB-UHFFFAOYSA-N	-1	0	254.261	1.067	40	0		CDABRM
O=C(Cc1ccsc1)[N-]S(=O)(=O)[C@@H]1C[C@@H]2CC[C@H]1C2	ZINC000408495363	303658416	/nfs/dbraw/zinc/65/84/16/303658416.db2.gz	IYWAYTMWPDPFNH-ADEWGFFLSA-N	-1	0	299.417	1.925	40	0		CDABRM
O=C([O-])CN1C(=O)N/C(=C/c2ccc(O)c(Cl)c2)C1=O	ZINC000408594189	326809986	/nfs/dbraw/zinc/80/99/86/326809986.db2.gz	SUUVBVFZLLLELZ-XBXARRHUSA-N	-1	0	296.666	1.023	40	0		CDABRM
O=C([O-])[C@@H]1CC(c2cnc(-c3ccccc3)nc2)=NO1	ZINC000226079108	1160423902	/nfs/dbraw/zinc/42/39/02/1160423902.db2.gz	VQMFIPYHTWGJSZ-LBPRGKRZSA-N	-1	0	269.260	1.721	40	0		CDABRM
O=C([O-])[C@@]1(NC(=O)[C@@H]2CCCCO2)CCc2ccccc21	ZINC000677849656	482806419	/nfs/dbraw/zinc/80/64/19/482806419.db2.gz	JXUNPSWMUCIURQ-XJKSGUPXSA-N	-1	0	289.331	1.598	40	0		CDABRM
O=C([O-])c1ccnc2[nH]cc(I)c21	ZINC000575441016	482896929	/nfs/dbraw/zinc/89/69/29/482896929.db2.gz	KPGVOJTXNUYKLZ-UHFFFAOYSA-N	-1	0	288.044	1.866	40	0		CDABRM
CCO[Si](CCCC(=O)[O-])(OCC)OCC	ZINC000196656137	483277925	/nfs/dbraw/zinc/27/79/25/483277925.db2.gz	MLTLWTJERLVODH-UHFFFAOYSA-N	-1	0	250.367	1.900	40	0		CDABRM
COc1cc(/C=C/C(=O)NCC(=O)[O-])ccc1OC(C)C	ZINC000062714685	521928528	/nfs/dbraw/zinc/92/85/28/521928528.db2.gz	NDCVQQAFKXEQJW-FNORWQNLSA-N	-1	0	293.319	1.696	40	0		CDABRM
COc1ccc(CN2C[C@H](C(=O)[O-])CCC2=O)cc1OC	ZINC000050919586	524041713	/nfs/dbraw/zinc/04/17/13/524041713.db2.gz	KDOAAUBTSIPSAW-LLVKDONJSA-N	-1	0	293.319	1.527	40	0		CDABRM
C[C@H](C(=O)N1CCC(CCC(=O)[O-])CC1)n1cccn1	ZINC000050922494	525955968	/nfs/dbraw/zinc/95/59/68/525955968.db2.gz	VQYZASNDBJQSAU-LLVKDONJSA-N	-1	0	279.340	1.548	40	0		CDABRM
COc1ccc2c(c1OC)C(=O)O[C@H]2SCC(=O)[O-]	ZINC000218710199	537023892	/nfs/dbraw/zinc/02/38/92/537023892.db2.gz	UEDBBHPVRFGUJG-LBPRGKRZSA-N	-1	0	284.289	1.691	40	0		CDABRM
CCOC(=O)[C@H](CCC(=O)[O-])NC(=O)OC(C)(C)C	ZINC000071788053	568584517	/nfs/dbraw/zinc/58/45/17/568584517.db2.gz	LXQBXYDPJVHNPQ-QMMMGPOBSA-N	-1	0	275.301	1.308	40	0		CDABRM
O=C([O-])c1ccccc1C(=O)N1CCCCCC1=O	ZINC000225630844	793627113	/nfs/dbraw/zinc/62/71/13/793627113.db2.gz	WKKPXVRMRYYJSY-UHFFFAOYSA-N	-1	0	261.277	1.928	40	0		CDABRM
CC(C)(C)OC(=O)NC1(Cn2cc(C(=O)[O-])nn2)CC1	ZINC000095619024	185016046	/nfs/dbraw/zinc/01/60/46/185016046.db2.gz	AEBDXWAGCAMDOZ-UHFFFAOYSA-N	-1	0	282.300	1.034	40	0		CDABRM
CCO[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)[O-]	ZINC000206902864	342155394	/nfs/dbraw/zinc/15/53/94/342155394.db2.gz	DSLWCRVOGPJERI-PWSUYJOCSA-N	-1	0	281.308	1.791	40	0		CDABRM
CCCCC[C@H](C)NC(=O)[C@H]1[C@@H](C(=O)[O-])[C@H]2CC[C@@H]1O2	ZINC000017009005	282697941	/nfs/dbraw/zinc/69/79/41/282697941.db2.gz	NLROVRSIEBLLOY-YYHQMBLXSA-N	-1	0	283.368	1.950	40	0		CDABRM
Cc1cc2ncc(C(=O)N[C@H](C)[C@H](C)C(=O)[O-])c(C)n2n1	ZINC000132540089	187633000	/nfs/dbraw/zinc/63/30/00/187633000.db2.gz	QAKPYAUKJPKHOG-DTWKUNHWSA-N	-1	0	290.323	1.185	40	0		CDABRM
Cc1cc(NC(=O)/C(Cl)=C(/Cl)C(=O)[O-])no1	ZINC000000164237	355892664	/nfs/dbraw/zinc/89/26/64/355892664.db2.gz	PBZJGUVGTSANSP-WAYWQWQTSA-N	-1	0	265.052	1.695	40	0		CDABRM
CCn1cc2c(n1)nc(SCC(=O)[O-])cc2C	ZINC000012398888	356297816	/nfs/dbraw/zinc/29/78/16/356297816.db2.gz	SNFDIWYSYJPUIK-UHFFFAOYSA-N	-1	0	251.311	1.936	40	0		CDABRM
COc1ccc(OC)c([C@H](C)NC(=O)CCC(=O)[O-])c1	ZINC000032610389	356312016	/nfs/dbraw/zinc/31/20/16/356312016.db2.gz	OWWAFWAXCLBUEV-VIFPVBQESA-N	-1	0	281.308	1.746	40	0		CDABRM
Cc1ccc(C[C@@H](C[C@H]([NH3+])C(=O)[O-])C(=O)[O-])cc1	ZINC000012650213	356315764	/nfs/dbraw/zinc/31/57/64/356315764.db2.gz	RGKAJUJNUGDWKC-QWRGUYRKSA-N	-1	0	251.282	1.040	40	0		CDABRM
CCOc1ccc(C(=O)[O-])cc1CN1CCOCC1	ZINC000024548450	356657293	/nfs/dbraw/zinc/65/72/93/356657293.db2.gz	DTSSKBSSPWBIOL-UHFFFAOYSA-N	-1	0	265.309	1.616	40	0		CDABRM
CC(C)[C@@H](C(=O)[O-])n1ccc2c(cnc3ccnn32)c1=O	ZINC000040387576	356999098	/nfs/dbraw/zinc/99/90/98/356999098.db2.gz	LREZQGLYSPHFKY-LBPRGKRZSA-N	-1	0	286.291	1.326	40	0		CDABRM
O=C([O-])c1ccc(C(=O)NCCCn2cccn2)cc1	ZINC000135173458	357746707	/nfs/dbraw/zinc/74/67/07/357746707.db2.gz	GGCBSGWTWVLXKP-UHFFFAOYSA-N	-1	0	273.292	1.401	40	0		CDABRM
O=C([O-])[C@@H]1C[C@H](C(=O)[O-])[C@H](c2ccc(Cl)cc2)[NH2+]1	ZINC000247397394	358191488	/nfs/dbraw/zinc/19/14/88/358191488.db2.gz	MMUGORBTGPYPOV-GUBZILKMSA-N	-1	0	269.684	1.528	40	0		CDABRM
Cc1nn(-c2ccc(C(F)(F)F)cn2)nc1C(=O)[O-]	ZINC000089262161	358399693	/nfs/dbraw/zinc/39/96/93/358399693.db2.gz	VFGDTPIQOZBAQY-UHFFFAOYSA-N	-1	0	272.186	1.688	40	0		CDABRM
O=C([O-])c1ccc(NC2CC2)c(S(=O)(=O)NC2CC2)c1	ZINC000217440221	359002462	/nfs/dbraw/zinc/00/24/62/359002462.db2.gz	FRFWBVBWLPPPPS-UHFFFAOYSA-N	-1	0	296.348	1.400	40	0		CDABRM
CNS(=O)(=O)c1ccc(NCC(C)C)c(C(=O)[O-])c1	ZINC000217536037	359007797	/nfs/dbraw/zinc/00/77/97/359007797.db2.gz	CTNRYFWWMNQKSJ-UHFFFAOYSA-N	-1	0	286.353	1.361	40	0		CDABRM
O=C([O-])c1cnc(NCCC2=CCCCC2)[nH]c1=O	ZINC000217673962	359018682	/nfs/dbraw/zinc/01/86/82/359018682.db2.gz	IOWWDNXXMAIQOQ-UHFFFAOYSA-N	-1	0	263.297	1.771	40	0		CDABRM
O=C([O-])[C@H]1[C@@H]2C=C[C@@H](CC2)[C@@H]1C(=O)NCc1ccccn1	ZINC000222441401	359343760	/nfs/dbraw/zinc/34/37/60/359343760.db2.gz	PHPVKNRANYSRPG-XCCSTKFXSA-N	-1	0	286.331	1.611	40	0		CDABRM
Cc1nc([N-]S(C)(=O)=O)sc1C(=O)N1CCCC1	ZINC000225878428	359628129	/nfs/dbraw/zinc/62/81/29/359628129.db2.gz	WWBVMDOUNARJNO-UHFFFAOYSA-N	-1	0	289.382	1.059	40	0		CDABRM
CNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccccc1	ZINC000000581970	364200189	/nfs/dbraw/zinc/20/01/89/364200189.db2.gz	JWNLHHULFGHTDO-UHFFFAOYSA-N	-1	0	290.344	1.847	40	0		CDABRM
COc1cccc(NC(=O)[C@H]2[C@@H](C(=O)[O-])[C@H]3C=C[C@@H]2O3)c1	ZINC000169364081	365037787	/nfs/dbraw/zinc/03/77/87/365037787.db2.gz	UDBOPXKFAIRNQR-LOWDOPEQSA-N	-1	0	289.287	1.288	40	0		CDABRM
O=C([O-])[C@H]1[C@@H](Oc2ccccc2)C(=O)N1Cc1ccccc1	ZINC000218279639	365238156	/nfs/dbraw/zinc/23/81/56/365238156.db2.gz	RQZQJXASQBWYCY-HUUCEWRRSA-N	-1	0	297.310	1.930	40	0		CDABRM
O=C([O-])COc1nn2c(c1Br)CCCC2	ZINC000218299877	365376868	/nfs/dbraw/zinc/37/68/68/365376868.db2.gz	DMJIOPQSZIGCLF-UHFFFAOYSA-N	-1	0	275.102	1.445	40	0		CDABRM
C[C@@H]1C(=O)C[C@@H]2[C@H]3CC[C@@H](C(=O)[O-])[C@]21C[C@@]3(C)CO	ZINC000252679724	372286321	/nfs/dbraw/zinc/28/63/21/372286321.db2.gz	QIYQVTNAEPQSBX-ABYUPDDJSA-N	-1	0	266.337	1.711	40	0	biogenic,in-vitro	CDABRM
O=C([O-])[C@H](NC(=O)c1ccncc1)c1ccccc1	ZINC000005775098	304173384	/nfs/dbraw/zinc/17/33/84/304173384.db2.gz	BPWGIWJNXSKAOD-GFCCVEGCSA-N	-1	0	256.261	1.637	40	0		CDABRM
Cc1oc(CNC(=O)Cc2ccc(C)nc2)cc1C(=O)[O-]	ZINC000225460582	374463767	/nfs/dbraw/zinc/46/37/67/374463767.db2.gz	HRVVDXMGUXDXQZ-UHFFFAOYSA-N	-1	0	288.303	1.849	40	0		CDABRM
CC(C)NC(=O)CSc1nc2[nH]c(=O)cc([O-])c2s1	ZINC000019624433	374765261	/nfs/dbraw/zinc/76/52/61/374765261.db2.gz	AQDHURULQIXZHX-UHFFFAOYSA-N	-1	0	299.377	1.307	40	0		CDABRM
O=C([O-])[C@@H](NC(=O)Cc1ccccc1)[C@H](O)c1ccccc1	ZINC000003040450	375518866	/nfs/dbraw/zinc/51/88/66/375518866.db2.gz	QJJZGNCENCTDFJ-JKSUJKDBSA-N	-1	0	299.326	1.532	40	0		CDABRM
CCS(=O)(=O)[C@H]1[C@@H](c2ccc(OC)cc2)[C@H]1C(=O)[O-]	ZINC000218087897	375788464	/nfs/dbraw/zinc/78/84/64/375788464.db2.gz	PBCDZGYGBDQEOZ-TUAOUCFPSA-N	-1	0	284.333	1.297	40	0		CDABRM
O=C([O-])CCOc1ccc(N2C(=O)CCCC2=O)cc1	ZINC000218781408	375894240	/nfs/dbraw/zinc/89/42/40/375894240.db2.gz	HXCBXJLYHGPIMI-UHFFFAOYSA-N	-1	0	277.276	1.584	40	0		CDABRM
O=C([O-])CO[C@@H]1CCN(C(=O)OCc2ccccc2)C1	ZINC000023508983	376360943	/nfs/dbraw/zinc/36/09/43/376360943.db2.gz	WMNUGIYBHVKFTM-GFCCVEGCSA-N	-1	0	279.292	1.499	40	0		CDABRM
O=C([O-])[C@H]1COC2(CCCCC2)N1C(=O)c1ccco1	ZINC000071979710	304199148	/nfs/dbraw/zinc/19/91/48/304199148.db2.gz	FDPMHPNRYFSXHQ-SNVBAGLBSA-N	-1	0	279.292	1.866	40	0		CDABRM
O=C([O-])c1cc(I)c(F)nc1F	ZINC000095470407	304225576	/nfs/dbraw/zinc/22/55/76/304225576.db2.gz	XORBNLSXNYWTEA-UHFFFAOYSA-N	-1	0	284.987	1.663	40	0		CDABRM
O=C([O-])c1cn(-c2nccnc2N2CCCCC2)cn1	ZINC000096517382	304274046	/nfs/dbraw/zinc/27/40/46/304274046.db2.gz	ORNIBVKGHFIQST-UHFFFAOYSA-N	-1	0	273.296	1.351	40	0		CDABRM
CC(C)C1C(=O)N=C(SCC(=O)NC(C)(C)C)N=C1[O-]	ZINC000017488831	390223047	/nfs/dbraw/zinc/22/30/47/390223047.db2.gz	JPRGIMUPPOYJKJ-UHFFFAOYSA-N	-1	0	299.396	1.606	40	0		CDABRM
Cc1c(C(=O)[O-])nnc2c(-c3ccccc3)cnn21	ZINC000020153835	390230770	/nfs/dbraw/zinc/23/07/70/390230770.db2.gz	XJQCZZLASFZSDI-UHFFFAOYSA-N	-1	0	254.249	1.798	40	0		CDABRM
O=C([O-])[C@H]1CCN(c2nccn3nc(C4CC4)cc23)C1	ZINC000096516393	390534465	/nfs/dbraw/zinc/53/44/65/390534465.db2.gz	VCLBPWUDNYSNNE-JTQLQIEISA-N	-1	0	272.308	1.518	40	0		CDABRM
CCS(=O)(=O)C(CO)=C([O-])c1cccc(Cl)c1	ZINC000096518793	390535470	/nfs/dbraw/zinc/53/54/70/390535470.db2.gz	LGNZRVDJEODJGI-SNVBAGLBSA-N	-1	0	276.741	1.318	40	0		CDABRM
Cc1ccc([C@@H]2N[C@@H](C(=O)[O-])Cc3[nH]cnc32)c(C)c1	ZINC000005066918	391722965	/nfs/dbraw/zinc/72/29/65/391722965.db2.gz	BOJXSBWQQAVNHJ-OLZOCXBDSA-N	-1	0	271.320	1.715	40	0		CDABRM
O=C([O-])c1cncnc1[C@@H]1CN(Cc2ccccc2)CCO1	ZINC000306131204	393064791	/nfs/dbraw/zinc/06/47/91/393064791.db2.gz	JYOQCODVRRQKBB-AWEZNQCLSA-N	-1	0	299.330	1.748	40	0		CDABRM
C[C@@H](Cn1cc(Cl)cn1)c1noc(C(=O)[O-])n1	ZINC000012399143	170485278	/nfs/dbraw/zinc/48/52/78/170485278.db2.gz	HGSJHUVACLOXBA-YFKPBYRVSA-N	-1	0	256.649	1.421	40	0		CDABRM
O=C([O-])Cn1ccc2nc(Nc3ccccc3)ncc2c1=O	ZINC000020153818	171038412	/nfs/dbraw/zinc/03/84/12/171038412.db2.gz	FJFMGIVEEHXLSR-UHFFFAOYSA-N	-1	0	296.286	1.620	40	0		CDABRM
O=C([O-])[C@@H](NC(=O)NC(=O)c1ccco1)c1ccccc1	ZINC000021983214	171344763	/nfs/dbraw/zinc/34/47/63/171344763.db2.gz	OHBHOADQJUEVFG-NSHDSACASA-N	-1	0	288.259	1.545	40	0		CDABRM
CCc1cc(C(F)(F)F)n2nc(CC(=O)[O-])nc2n1	ZINC000035655499	172331368	/nfs/dbraw/zinc/33/13/68/172331368.db2.gz	AOCZGBMVJKLXIX-UHFFFAOYSA-N	-1	0	274.202	1.333	40	0		CDABRM
Nc1nc2c(CCc3ccc(C(=O)[O-])cc3)c[nH]c2c(=O)[nH]1	ZINC000038339101	174140011	/nfs/dbraw/zinc/14/00/11/174140011.db2.gz	UQYUUJLYGFYTQK-UHFFFAOYSA-N	-1	0	298.302	1.729	40	0		CDABRM
O=C1NCCC1=C([O-])c1ccc(Br)cc1	ZINC000040448337	174265550	/nfs/dbraw/zinc/26/55/50/174265550.db2.gz	QXZJMPTUCLHTNU-VIFPVBQESA-N	-1	0	268.110	1.768	40	0		CDABRM
CCOC(=O)C1=NN(c2ccccc2C)[C@@](C)(C(=O)[O-])C1	ZINC000071979447	176307598	/nfs/dbraw/zinc/30/75/98/176307598.db2.gz	MHZWYCSYTZCYAV-OAHLLOKOSA-N	-1	0	290.319	1.968	40	0		CDABRM
CCOC(=O)C1=NN(c2ccc(C)cc2)[C@H](C(=O)[O-])C1	ZINC000071979195	176307950	/nfs/dbraw/zinc/30/79/50/176307950.db2.gz	YLGUODZYFIMOCW-LBPRGKRZSA-N	-1	0	276.292	1.577	40	0		CDABRM
CC(=O)N1CCC[C@H](c2cncc(NCCC(=O)[O-])n2)C1	ZINC000072364792	176380236	/nfs/dbraw/zinc/38/02/36/176380236.db2.gz	QEEPLBAMENKEEB-NSHDSACASA-N	-1	0	292.339	1.089	40	0		CDABRM
CC(=O)N1CCC[C@@H]1c1nccnc1CCC(=O)[O-]	ZINC000257342090	278017292	/nfs/dbraw/zinc/01/72/92/278017292.db2.gz	ZNBJMADITZLDOQ-LLVKDONJSA-N	-1	0	263.297	1.177	40	0		CDABRM
CC[C@H]1CN(C(=O)c2ccccc2C(=O)[O-])CCO1	ZINC000036769559	288274734	/nfs/dbraw/zinc/27/47/34/288274734.db2.gz	TVKUYBLMXIGJGR-JTQLQIEISA-N	-1	0	263.293	1.636	40	0		CDABRM
CC1(C)COc2ccc(/C=C3/NC(=O)[N-]C3=O)cc2OC1	ZINC000225370227	281298652	/nfs/dbraw/zinc/29/86/52/281298652.db2.gz	FJYXWGSCSDBSLZ-BJMVGYQFSA-N	-1	0	288.303	1.664	40	0		CDABRM
Cc1cc(C)n(CCNC(=O)c2ccccc2C(=O)[O-])n1	ZINC000035670984	1175549614	/nfs/dbraw/zinc/54/96/14/1175549614.db2.gz	UXOYMZXOWRUZGG-UHFFFAOYSA-N	-1	0	287.319	1.628	40	0		CDABRM
COc1ccc(NC2=C[C@](C)(C(=O)[O-])OC2=O)cc1	ZINC000001872952	341986416	/nfs/dbraw/zinc/98/64/16/341986416.db2.gz	DXPPYSXVFNEBBV-CYBMUJFWSA-N	-1	0	263.249	1.391	40	0		CDABRM
O=C([O-])COc1nsnc1N1CCCCCC1	ZINC000085394202	179049222	/nfs/dbraw/zinc/04/92/22/179049222.db2.gz	WASSAYSEFOVTKU-UHFFFAOYSA-N	-1	0	257.315	1.382	40	0		CDABRM
CO[C@@H](C)C(=O)N(C)Cc1ccc(C(=O)[O-])cc1	ZINC000168611350	188651547	/nfs/dbraw/zinc/65/15/47/188651547.db2.gz	WRJIGBXNYDIKSD-VIFPVBQESA-N	-1	0	251.282	1.378	40	0		CDABRM
O=C([O-])CC[C@H](O)CC(=O)OCc1ccccc1	ZINC000001737835	355950373	/nfs/dbraw/zinc/95/03/73/355950373.db2.gz	FBTBXSNNOUJHSS-NSHDSACASA-N	-1	0	252.266	1.346	40	0		CDABRM
CCc1nn([C@@H](C)C(=O)[O-])c(=O)c2cc3sccc3n21	ZINC000012115285	356287895	/nfs/dbraw/zinc/28/78/95/356287895.db2.gz	GUMJWRTWKNYXAJ-ZETCQYMHSA-N	-1	0	291.332	1.919	40	0		CDABRM
CC(=O)N[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)[O-]	ZINC000019721310	356497112	/nfs/dbraw/zinc/49/71/12/356497112.db2.gz	SZKGWNHMAJBPFY-JTQLQIEISA-N	-1	0	275.226	1.837	40	0		CDABRM
O=C([O-])CCNC1=C(Cl)C(=O)N(c2ccccc2)C1=O	ZINC000019789629	356504056	/nfs/dbraw/zinc/50/40/56/356504056.db2.gz	RBHVLTAYKQMHGH-UHFFFAOYSA-N	-1	0	294.694	1.075	40	0		CDABRM
CNS(=O)(=O)c1cc(C(=O)[O-])ccc1NC1CCCC1	ZINC000217405963	358999337	/nfs/dbraw/zinc/99/93/37/358999337.db2.gz	CQHZPMHOWLCDSX-UHFFFAOYSA-N	-1	0	298.364	1.647	40	0		CDABRM
COc1ccc(/C=C/C(=O)N[C@@H](C)C(=O)[O-])c(OC)c1	ZINC000033441026	359332862	/nfs/dbraw/zinc/33/28/62/359332862.db2.gz	BYPIZOIQHDYXGG-IWGCBNPKSA-N	-1	0	279.292	1.306	40	0		CDABRM
Cc1ccc(F)c(NC(=O)[C@H]2[C@@H](C(=O)[O-])[C@H]3C=C[C@@H]2O3)c1	ZINC000225786548	359617037	/nfs/dbraw/zinc/61/70/37/359617037.db2.gz	YMOPOVATZPIQJF-LOWDOPEQSA-N	-1	0	291.278	1.727	40	0		CDABRM
Nc1c(F)cc(I)cc1C(=O)[O-]	ZINC000146036679	360355160	/nfs/dbraw/zinc/35/51/60/360355160.db2.gz	CBPFNZJEAXKSMI-UHFFFAOYSA-N	-1	0	281.024	1.711	40	0		CDABRM
O=C([O-])[C@@H]1[C@H](Oc2ccccc2)C(=O)N1Cc1ccccc1	ZINC000218279689	365238188	/nfs/dbraw/zinc/23/81/88/365238188.db2.gz	RQZQJXASQBWYCY-GJZGRUSLSA-N	-1	0	297.310	1.930	40	0		CDABRM
O=C([O-])c1cccn(-c2ccc3c(c2)OCO3)c1=O	ZINC000049847464	370275967	/nfs/dbraw/zinc/27/59/67/370275967.db2.gz	PHEMACGQCVULOK-UHFFFAOYSA-N	-1	0	259.217	1.264	40	0		CDABRM
COc1cc(O)c(CCO)c2c1C(=O)C[C@@H](C)O2	ZINC000013368434	374667521	/nfs/dbraw/zinc/66/75/21/374667521.db2.gz	MFMBOHMTFYYVAI-SSDOTTSWSA-N	-1	0	252.266	1.289	40	0	biogenic,in-vitro	CDABRM
O=S(=O)([N-]c1nnc[nH]1)c1cc(F)cc(Cl)c1	ZINC000330032745	374838349	/nfs/dbraw/zinc/83/83/49/374838349.db2.gz	RMLJMLDTFQLPQA-UHFFFAOYSA-N	-1	0	276.680	1.398	40	0		CDABRM
CCCCCCC1=C(C)C(=O)N([C@@H](CO)C(=O)[O-])C1=O	ZINC000253394147	189987755	/nfs/dbraw/zinc/98/77/55/189987755.db2.gz	ALMUAEYFHNUOHB-NSHDSACASA-N	-1	0	283.324	1.088	40	0	biogenic,in-vitro	CDABRM
COCCNC(=O)C[C@H](CC(=O)[O-])c1ccccc1	ZINC000057553079	375529428	/nfs/dbraw/zinc/52/94/28/375529428.db2.gz	XXHOYTKRPSDUIV-GFCCVEGCSA-N	-1	0	265.309	1.398	40	0		CDABRM
CC(=O)N1CCC(c2cnc(NCCC(=O)[O-])cn2)CC1	ZINC000257310849	190031606	/nfs/dbraw/zinc/03/16/06/190031606.db2.gz	UGXDEIZWASDHJC-UHFFFAOYSA-N	-1	0	292.339	1.089	40	0		CDABRM
CN(C)c1cc([C@H]2CCCN2C(=O)CCC(=O)[O-])ccn1	ZINC000257317086	190033116	/nfs/dbraw/zinc/03/31/16/190033116.db2.gz	VIIVGEYWGSLMFW-GFCCVEGCSA-N	-1	0	291.351	1.676	40	0		CDABRM
O=C([O-])[C@H]1[C@@H](C(=O)NC2CCCCCC2)[C@H]2C=C[C@@H]1O2	ZINC000225686259	304209766	/nfs/dbraw/zinc/20/97/66/304209766.db2.gz	HYCFRKTXICJVPV-MROQNXINSA-N	-1	0	279.336	1.480	40	0		CDABRM
O=C([O-])c1ccn(-c2nccnc2N2CCCCC2)n1	ZINC000096517427	304272848	/nfs/dbraw/zinc/27/28/48/304272848.db2.gz	WGWGQFNFYWJGQS-UHFFFAOYSA-N	-1	0	273.296	1.351	40	0		CDABRM
O=C([O-])c1cnn(-c2ccc(Br)cn2)n1	ZINC000089263478	304279762	/nfs/dbraw/zinc/27/97/62/304279762.db2.gz	RNXJQHCCAINMIN-UHFFFAOYSA-N	-1	0	269.058	1.123	40	0		CDABRM
CC[C@@H]1C=CC[C@H]2C(=O)N(CCCC(=O)[O-])C(=O)[C@H]21	ZINC000245204314	390469035	/nfs/dbraw/zinc/46/90/35/390469035.db2.gz	SLAQTBMRVJUFIJ-FOGDFJRCSA-N	-1	0	265.309	1.439	40	0		CDABRM
Cn1nc(C(=O)N2CC[C@@H](C(=O)[O-])C2)c2ccccc21	ZINC000096517461	390532962	/nfs/dbraw/zinc/53/29/62/390532962.db2.gz	UGNGTZZYFNIAHF-SECBINFHSA-N	-1	0	273.292	1.120	40	0		CDABRM
O=C([O-])c1cn(-c2ccc(=O)n(-c3ccccc3)n2)cn1	ZINC000096517375	390533351	/nfs/dbraw/zinc/53/33/51/390533351.db2.gz	CVKJEZUAUGCDOO-UHFFFAOYSA-N	-1	0	282.259	1.116	40	0		CDABRM
COc1cccc(C2=NO[C@](C)(C(=O)[O-])C2)c1OC	ZINC000071981055	390542700	/nfs/dbraw/zinc/54/27/00/390542700.db2.gz	IKCKROMTWLDABP-ZDUSSCGKSA-N	-1	0	265.265	1.672	40	0		CDABRM
Cc1cc(C)cc([C@H](NC(=O)c2ccnn2C)C(=O)[O-])c1	ZINC000263152601	131284147	/nfs/dbraw/zinc/28/41/47/131284147.db2.gz	UXUVLYPTARXWDK-ZDUSSCGKSA-N	-1	0	287.319	1.593	40	0		CDABRM
CCCOc1ccc(CN2C[C@@H](C(=O)[O-])CC2=O)cc1	ZINC000008016565	170313378	/nfs/dbraw/zinc/31/33/78/170313378.db2.gz	LQFBMIMUGZSMKM-LBPRGKRZSA-N	-1	0	277.320	1.909	40	0		CDABRM
CC(=O)N[C@@H](Cc1cc(F)c(F)c(F)c1)C(=O)[O-]	ZINC000016696792	170709508	/nfs/dbraw/zinc/70/95/08/170709508.db2.gz	MJBCGFLRYSZAPQ-VIFPVBQESA-N	-1	0	261.199	1.236	40	0		CDABRM
O=C([O-])CC1CCN(C(=O)Cc2ccccc2)CC1	ZINC000020510099	171230443	/nfs/dbraw/zinc/23/04/43/171230443.db2.gz	AXFIYYFYQXDOIP-UHFFFAOYSA-N	-1	0	261.321	1.942	40	0		CDABRM
CCOC(=O)C(C(=O)OCC)=C([O-])c1cccc(F)c1	ZINC000043502007	175059182	/nfs/dbraw/zinc/05/91/82/175059182.db2.gz	WCSLWGKEXUNBFE-UHFFFAOYSA-N	-1	0	282.267	1.751	40	0		CDABRM
CCOC(=O)C1=NN(c2ccc(OC)cc2)[C@@H](C(=O)[O-])C1	ZINC000071979340	176307843	/nfs/dbraw/zinc/30/78/43/176307843.db2.gz	YSBBYSXIHJZJHK-GFCCVEGCSA-N	-1	0	292.291	1.278	40	0		CDABRM
Cc1ccc(Cn2nnc(C(=O)[O-])c2Cl)cc1	ZINC000072220888	176342687	/nfs/dbraw/zinc/34/26/87/176342687.db2.gz	ANZYEIPARQIGTO-UHFFFAOYSA-N	-1	0	251.673	1.986	40	0		CDABRM
Cc1c(C(=O)[O-])sc2ncn(CC3CC3)c(=O)c12	ZINC000078717653	177375162	/nfs/dbraw/zinc/37/51/62/177375162.db2.gz	INYMKGYQUFKCEJ-UHFFFAOYSA-N	-1	0	264.306	1.875	40	0		CDABRM
CC(=O)N[C@@H](C(=O)[O-])[C@H](O)c1ccc(C(F)(F)F)cc1	ZINC000091690077	260482638	/nfs/dbraw/zinc/48/26/38/260482638.db2.gz	SQXUUGMKDYJLIC-NXEZZACHSA-N	-1	0	291.225	1.328	40	0		CDABRM
CC[C@H]1COCCN1C(=O)c1ccccc1C(=O)[O-]	ZINC000036323157	288321812	/nfs/dbraw/zinc/32/18/12/288321812.db2.gz	MYYUIYOXHZLXQT-JTQLQIEISA-N	-1	0	263.293	1.636	40	0		CDABRM
C[C@H](C(=O)[O-])n1nnc(-c2ccc(Br)cc2)n1	ZINC000553964192	290140350	/nfs/dbraw/zinc/14/03/50/290140350.db2.gz	RTRPGUFUHOOUNR-ZCFIWIBFSA-N	-1	0	297.112	1.748	40	0		CDABRM
COc1ccc(OC)c(/C=C/C(=O)NCCC(=O)[O-])c1	ZINC000062714611	524797173	/nfs/dbraw/zinc/79/71/73/524797173.db2.gz	NOGRWSRANCGYAV-ZZXKWVIFSA-N	-1	0	279.292	1.308	40	0		CDABRM
O=C([O-])[C@@H]1CS[C@H](Cc2ccc(F)cc2F)C(=O)N1	ZINC000062712309	526288878	/nfs/dbraw/zinc/28/88/78/526288878.db2.gz	VFNNZEFSYFJOHX-VHSXEESVSA-N	-1	0	287.287	1.192	40	0		CDABRM
O=C([O-])[C@@H]1CCC[C@@H]1Nc1ccc2nccnc2n1	ZINC000094725502	811929130	/nfs/dbraw/zinc/92/91/30/811929130.db2.gz	FGFOCHCRVFDMHX-BDAKNGLRSA-N	-1	0	258.281	1.690	40	0		CDABRM
CC(C)(C)OC(=O)N1C[C@H](C(=O)[O-])[C@H]2OCC[C@H]21	ZINC000095740478	342451653	/nfs/dbraw/zinc/45/16/53/342451653.db2.gz	NNZSBVSOHULTJQ-DJLDLDEBSA-N	-1	0	257.286	1.095	40	0		CDABRM
O=C([O-])c1ccccc1NC=C1SC(=O)NC1=O	ZINC000584906285	342111855	/nfs/dbraw/zinc/11/18/55/342111855.db2.gz	PWWLPNAAEMWYLK-YVMONPNESA-N	-1	0	264.262	1.621	40	0		CDABRM
COC[C@]1(C(=O)[O-])CCCN1C(=O)[C@H]1Cc2ccccc21	ZINC000643849108	361931198	/nfs/dbraw/zinc/93/11/98/361931198.db2.gz	SVLNAXSTZHRTHI-BBRMVZONSA-N	-1	0	289.331	1.419	40	0		CDABRM
COC(=O)c1cc(C(=O)[O-])nn1Cc1ccccc1	ZINC000575441615	346223700	/nfs/dbraw/zinc/22/37/00/346223700.db2.gz	ZRSAWPOSBYQGRX-UHFFFAOYSA-N	-1	0	260.249	1.416	40	0		CDABRM
CC1(C)C[C@@H]1C(=O)N1CCSC[C@@H](C(=O)[O-])C1	ZINC000621606934	350671553	/nfs/dbraw/zinc/67/15/53/350671553.db2.gz	IAASPFFYDJOCCJ-DTWKUNHWSA-N	-1	0	257.355	1.309	40	0		CDABRM
COC(=O)C1=C(Cl)c2sccc2S(=O)(=O)[N-]1	ZINC000016189666	290925399	/nfs/dbraw/zinc/92/53/99/290925399.db2.gz	WQCUFIYEWMKWPQ-UHFFFAOYSA-N	-1	0	279.726	1.120	40	0		CDABRM
O=C([O-])[C@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)NC[C@H]1CCCO1	ZINC000004179812	356021143	/nfs/dbraw/zinc/02/11/43/356021143.db2.gz	QZJPDCZBYMDOCY-LVEVGFFFSA-N	-1	0	267.325	1.029	40	0		CDABRM
Cc1cc2c(cc3c(=O)n(CC(=O)[O-])nc(C)n23)s1	ZINC000012115324	356288321	/nfs/dbraw/zinc/28/83/21/356288321.db2.gz	XHQWPQKTGKPTSI-UHFFFAOYSA-N	-1	0	277.305	1.412	40	0		CDABRM
Cc1nn(C)cc1[C@H](C)NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-]	ZINC000036611016	356407952	/nfs/dbraw/zinc/40/79/52/356407952.db2.gz	IUDUEXQDVXJUOH-DLOVCJGASA-N	-1	0	291.351	1.573	40	0		CDABRM
O=C([O-])c1nc(-c2ccccc2N2CCOCC2)no1	ZINC000020134313	356526606	/nfs/dbraw/zinc/52/66/06/356526606.db2.gz	NFCKXBXWGSJIOT-UHFFFAOYSA-N	-1	0	275.264	1.271	40	0		CDABRM
O=C([O-])[C@H](Cc1ccccc1F)N1CCOCC1	ZINC000041323064	357030747	/nfs/dbraw/zinc/03/07/47/357030747.db2.gz	CYAXPRIBXDRJHS-LBPRGKRZSA-N	-1	0	253.273	1.154	40	0		CDABRM
O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)NCCc1ccccc1	ZINC000004197462	358575117	/nfs/dbraw/zinc/57/51/17/358575117.db2.gz	ZPHBCOITRGMVGO-BARDWOONSA-N	-1	0	285.343	1.868	40	0		CDABRM
Cc1nc2n(n1)[C@@H](c1cccc(O)c1)CC(C(=O)[O-])=N2	ZINC000102278329	358873827	/nfs/dbraw/zinc/87/38/27/358873827.db2.gz	UIJDIMYQHTZTOL-LLVKDONJSA-N	-1	0	272.264	1.276	40	0		CDABRM
Cc1nc(CC(=O)Nc2cccc(F)c2)ncc1C(=O)[O-]	ZINC000217355084	358995222	/nfs/dbraw/zinc/99/52/22/358995222.db2.gz	FWDMHBXDXWWMHB-UHFFFAOYSA-N	-1	0	289.266	1.804	40	0		CDABRM
CCO[C@H](Cc1ccc(OC)cc1OC)C(=O)[O-]	ZINC000225113741	359550514	/nfs/dbraw/zinc/55/05/14/359550514.db2.gz	GQSVKYPUNJVCAO-GFCCVEGCSA-N	-1	0	254.282	1.736	40	0		CDABRM
O=C([O-])Cn1ccc(=O)c2cc(Br)ccc21	ZINC000040175599	304090860	/nfs/dbraw/zinc/09/08/60/304090860.db2.gz	CHXQOEVTDSWWQP-UHFFFAOYSA-N	-1	0	282.093	1.849	40	0		CDABRM
Cc1ccc(-n2cccc2/C=C2/NC(=O)[N-]C2=O)cc1	ZINC000409042267	363864153	/nfs/dbraw/zinc/86/41/53/363864153.db2.gz	MAQRWIQXGYAVKJ-UKTHLTGXSA-N	-1	0	267.288	1.966	40	0		CDABRM
CC(C)C[C@H](NC(=O)CNC(=O)c1cccs1)C(=O)[O-]	ZINC000005633007	364838684	/nfs/dbraw/zinc/83/86/84/364838684.db2.gz	ZDVRATGWTXGTKF-VIFPVBQESA-N	-1	0	298.364	1.093	40	0		CDABRM
CCNS(=O)(=O)c1ccc(NC2CC2)c(C(=O)[O-])c1	ZINC000217538589	189709989	/nfs/dbraw/zinc/70/99/89/189709989.db2.gz	DICDGBBISODWKS-UHFFFAOYSA-N	-1	0	284.337	1.257	40	0		CDABRM
Cc1cc(S(=O)(=O)CC(C)C)ccc1OCC(=O)[O-]	ZINC000218303495	365419201	/nfs/dbraw/zinc/41/92/01/365419201.db2.gz	RKLFTSRFWNXLGY-UHFFFAOYSA-N	-1	0	286.349	1.888	40	0		CDABRM
O=C([O-])Cn1ccc(=NC(=O)[C@@H]2C[C@H]2c2ccsc2)[nH]1	ZINC000630135606	368329772	/nfs/dbraw/zinc/32/97/72/368329772.db2.gz	QKLXQRBQIIIYMK-VHSXEESVSA-N	-1	0	291.332	1.193	40	0		CDABRM
O=C([O-])[C@@H]1Cc2[nH]cnc2[C@@H](c2ccccc2F)N1	ZINC000005819132	304151072	/nfs/dbraw/zinc/15/10/72/304151072.db2.gz	KAYJYJAACIEUHJ-WDEREUQCSA-N	-1	0	261.256	1.237	40	0		CDABRM
COc1csc(C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)c1	ZINC000161409214	373568860	/nfs/dbraw/zinc/56/88/60/373568860.db2.gz	SNETXSKYPPDXSO-JGVFFNPUSA-N	-1	0	269.322	1.740	40	0		CDABRM
O=C([O-])CNC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F	ZINC000225456864	374434163	/nfs/dbraw/zinc/43/41/63/374434163.db2.gz	RPQXTRWDRLOWAS-DTWKUNHWSA-N	-1	0	255.220	1.269	40	0		CDABRM
CCn1ncc(N2CCC(C(=O)[O-])CC2)c(Cl)c1=O	ZINC000019690077	374776687	/nfs/dbraw/zinc/77/66/87/374776687.db2.gz	HVBCIBNZIAXZOJ-UHFFFAOYSA-N	-1	0	285.731	1.218	40	0		CDABRM
O=C([O-])c1ccccc1[C@@H]1NC2(CCCC2)NC1=O	ZINC000090661507	304271672	/nfs/dbraw/zinc/27/16/72/304271672.db2.gz	KKLJBFWRWGZKQD-NSHDSACASA-N	-1	0	260.293	1.416	40	0		CDABRM
COC(=O)[C@H]1C[C@H](C(=O)[O-])CN(C(=O)OC(C)(C)C)C1	ZINC000079033535	1172690497	/nfs/dbraw/zinc/69/04/97/1172690497.db2.gz	DYLHJFCOKNLATM-IUCAKERBSA-N	-1	0	287.312	1.117	40	0		CDABRM
O=C([O-])CN1CCn2nc(-c3cccs3)cc2C1=O	ZINC000096517217	390532200	/nfs/dbraw/zinc/53/22/00/390532200.db2.gz	GYGHKWVUBSEPEV-UHFFFAOYSA-N	-1	0	277.305	1.152	40	0		CDABRM
O=C([O-])c1nnc2c(Cl)cc(Cl)cc2c1O	ZINC000098180347	304282906	/nfs/dbraw/zinc/28/29/06/304282906.db2.gz	WJXKQCJQCAOYSJ-UHFFFAOYSA-N	-1	0	259.048	1.928	40	0		CDABRM
C[C@H]([NH2+]Cc1cc(Cl)ccc1OCC(=O)[O-])C(=O)[O-]	ZINC000062717150	391060287	/nfs/dbraw/zinc/06/02/87/391060287.db2.gz	XPUCMMZPSOQMQU-ZETCQYMHSA-N	-1	0	287.699	1.366	40	0		CDABRM
CC[C@H](C)[C@H](NC(=O)Cc1cc(C)on1)C(=O)[O-]	ZINC000082245544	391482280	/nfs/dbraw/zinc/48/22/80/391482280.db2.gz	YLJSHOYMLMXZFQ-CPCISQLKSA-N	-1	0	254.286	1.141	40	0		CDABRM
O=C([O-])C1CCN(S(=O)(=O)c2ccsc2)CC1	ZINC000262122066	131193010	/nfs/dbraw/zinc/19/30/10/131193010.db2.gz	MIDZVIUQSPFNSZ-UHFFFAOYSA-N	-1	0	275.351	1.233	40	0		CDABRM
CC(C)(C)c1nnc(Nc2nccs2)[n-]c1=O	ZINC000005154576	170071378	/nfs/dbraw/zinc/07/13/78/170071378.db2.gz	CZKVCRUTOONYAJ-UHFFFAOYSA-N	-1	0	251.315	1.663	40	0		CDABRM
O=S(=O)([N-]C(=S)N1CCCCC1)c1ccccc1	ZINC000005375772	170091195	/nfs/dbraw/zinc/09/11/95/170091195.db2.gz	UZXFVMHWKTXGMX-UHFFFAOYSA-N	-1	0	284.406	1.736	40	0		CDABRM
COc1ccc(S(=O)(=O)[N-]c2cc(C)nc(C)n2)cc1	ZINC000006706989	170230937	/nfs/dbraw/zinc/23/09/37/170230937.db2.gz	KFBHMHJCMLCQKM-UHFFFAOYSA-N	-1	0	293.348	1.903	40	0		CDABRM
O=C([O-])c1nccnc1C(=O)Nc1ccc(F)c(F)c1	ZINC000006737366	170236442	/nfs/dbraw/zinc/23/64/42/170236442.db2.gz	OMEXUNZDYZEMIG-UHFFFAOYSA-N	-1	0	279.202	1.705	40	0		CDABRM
COCCNC(=O)[C@H]1CC[C@@](C)(C(=O)[O-])C1(C)C	ZINC000006829050	292556035	/nfs/dbraw/zinc/55/60/35/292556035.db2.gz	LXUXXRVHGHNODS-RNCFNFMXSA-N	-1	0	257.330	1.276	40	0		CDABRM
CC[C@@H](C)NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1	ZINC000013073624	170530264	/nfs/dbraw/zinc/53/02/64/170530264.db2.gz	LJMXGSOXXVIIBX-SSDOTTSWSA-N	-1	0	275.301	1.601	40	0		CDABRM
CCOC(=O)CCCCCSc1n[nH]c(=O)[n-]c1=O	ZINC000017110026	170725695	/nfs/dbraw/zinc/72/56/95/170725695.db2.gz	LIHJDVDJXPIXRJ-UHFFFAOYSA-N	-1	0	287.341	1.498	40	0		CDABRM
CC(C)(C)c1ccc(C(=O)N2C[C@@H](O)C[C@@H]2C(=O)[O-])cc1	ZINC000021969328	171344555	/nfs/dbraw/zinc/34/45/55/171344555.db2.gz	WFXBCSPJGADDFD-QWHCGFSZSA-N	-1	0	291.347	1.644	40	0		CDABRM
COC(=O)C=C(C)N[C@H](C(=O)[O-])C1=CCC=CC1	ZINC000021988954	171346030	/nfs/dbraw/zinc/34/60/30/171346030.db2.gz	KLSJALAGRWLJNT-BCPZQOPPSA-N	-1	0	251.282	1.382	40	0		CDABRM
CCOC(=O)C1=NN(c2cc(C)cc(C)c2)[C@@H](C(=O)[O-])C1	ZINC000071979192	176307612	/nfs/dbraw/zinc/30/76/12/176307612.db2.gz	GZHPJCSUDKVSTC-CYBMUJFWSA-N	-1	0	290.319	1.886	40	0		CDABRM
CCOC(=O)C1=NN(c2cc(C)cc(C)c2)[C@H](C(=O)[O-])C1	ZINC000071979191	176307871	/nfs/dbraw/zinc/30/78/71/176307871.db2.gz	GZHPJCSUDKVSTC-ZDUSSCGKSA-N	-1	0	290.319	1.886	40	0		CDABRM
CC(C)c1ccc(-n2c(=O)[nH]cc(C(=O)[O-])c2=O)cc1	ZINC000078401811	280585715	/nfs/dbraw/zinc/58/57/15/280585715.db2.gz	UJKPOVKRNHXDGY-UHFFFAOYSA-N	-1	0	274.276	1.347	40	0		CDABRM
CC(C)(C)OC(=O)N1Cc2cccn2C[C@H](C(=O)[O-])C1	ZINC000379476697	333188895	/nfs/dbraw/zinc/18/88/95/333188895.db2.gz	VPSLWYNQRHKRMF-JTQLQIEISA-N	-1	0	280.324	1.940	40	0		CDABRM
[NH3+][C@@H](C[C@@H](Cc1ccc2ccccc2c1)C(=O)[O-])C(=O)[O-]	ZINC000000019969	482443655	/nfs/dbraw/zinc/44/36/55/482443655.db2.gz	YDWIUFASTTZKNI-KGLIPLIRSA-N	-1	0	287.315	1.885	40	0		CDABRM
O=C([O-])[C@H](NC(=O)[C@@H]1CCCOC1)c1ccccc1F	ZINC000678990254	483245165	/nfs/dbraw/zinc/24/51/65/483245165.db2.gz	TVZCJDHLKHNMLP-BXKDBHETSA-N	-1	0	281.283	1.494	40	0		CDABRM
O=C([O-])[C@@H]1CS[C@@H](Cc2cccc(Cl)c2)C(=O)N1	ZINC000062712105	526288949	/nfs/dbraw/zinc/28/89/49/526288949.db2.gz	XAJGLNRIUDZGSF-UWVGGRQHSA-N	-1	0	285.752	1.567	40	0		CDABRM
CCOc1ccc(C(=O)[O-])cc1S(=O)(=O)NC(C)C	ZINC000408700343	528408888	/nfs/dbraw/zinc/40/88/88/528408888.db2.gz	DLMCJSGMHHKEDZ-UHFFFAOYSA-N	-1	0	287.337	1.470	40	0		CDABRM
CCCS(=O)(=O)c1ccc(OCC(=O)[O-])c(C)c1	ZINC000218303431	535306410	/nfs/dbraw/zinc/30/64/10/535306410.db2.gz	TXNZEDPCNYEZHU-UHFFFAOYSA-N	-1	0	272.322	1.642	40	0		CDABRM
Cn1c2ccccc2c([O-])c(C(=O)Nc2ccncc2)c1=O	ZINC000000354122	1159750027	/nfs/dbraw/zinc/75/00/27/1159750027.db2.gz	ORVHIAVOGSFKON-UHFFFAOYSA-N	-1	0	295.298	1.891	40	0		CDABRM
CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C[C@@H]1O	ZINC000143722595	1177908925	/nfs/dbraw/zinc/90/89/25/1177908925.db2.gz	ZUMYZBZADRZJEV-VGMNWLOBSA-N	-1	0	259.302	1.125	40	0		CDABRM
CCOc1ccc(Cn2c([O-])cc(=O)[nH]c2=O)cc1	ZINC000005980353	1164629276	/nfs/dbraw/zinc/62/92/76/1164629276.db2.gz	WNYREIYDEVMKQZ-UHFFFAOYSA-N	-1	0	262.265	1.054	40	0		CDABRM
O=C([O-])[C@H]1[C@@H]2C=C[C@@H](O2)[C@H]1C(=O)Nc1ccccc1F	ZINC000004894132	230369182	/nfs/dbraw/zinc/36/91/82/230369182.db2.gz	XOOKKNOBOAZHCF-KXNHARMFSA-N	-1	0	277.251	1.418	40	0		CDABRM
CCCCC(=O)NC(=S)[N-]n1c(C)nnc1SC	ZINC000006634982	342495049	/nfs/dbraw/zinc/49/50/49/342495049.db2.gz	NQOATBLHGDXOLY-UHFFFAOYSA-N	-1	0	287.414	1.443	40	0		CDABRM
CCOc1nn(C)c2ccc(OCC(=O)[O-])cc21	ZINC000225771655	230399711	/nfs/dbraw/zinc/39/97/11/230399711.db2.gz	BCRXERDDDQFXLR-UHFFFAOYSA-N	-1	0	250.254	1.435	40	0		CDABRM
O=C([O-])C1CCC(C(=O)N(C[C@H]2CCOC2)C2CC2)CC1	ZINC000194427980	539159045	/nfs/dbraw/zinc/15/90/45/539159045.db2.gz	POBGHMKUUXJFOU-PNESKVBLSA-N	-1	0	295.379	1.905	40	0		CDABRM
NC(=O)COc1ccc(/C=N/c2cccc(C(=O)[O-])c2)cc1	ZINC000000572343	346027649	/nfs/dbraw/zinc/02/76/49/346027649.db2.gz	KIEUVNFKJZUVLN-GIJQJNRQSA-N	-1	0	298.298	2.000	40	0		CDABRM
O=C([O-])c1cc(NC(=O)CNC(=O)C2CC2)ccc1Cl	ZINC000621575380	350659397	/nfs/dbraw/zinc/65/93/97/350659397.db2.gz	AQHASQHIHGYWAU-UHFFFAOYSA-N	-1	0	296.710	1.503	40	0		CDABRM
CCN(CC)c1nn(-c2ccccc2F)nc1C(=O)[O-]	ZINC000256048947	350908878	/nfs/dbraw/zinc/90/88/78/350908878.db2.gz	XHZDQGMHNALRCW-UHFFFAOYSA-N	-1	0	278.287	1.951	40	0		CDABRM
CCn1c(C)[n+](CC)c2cc(C(=O)[O-])c(C(=O)[O-])cc21	ZINC000004635973	363245884	/nfs/dbraw/zinc/24/58/84/363245884.db2.gz	VYZFPNUVTUGMNJ-UHFFFAOYSA-O	-1	0	277.300	1.673	40	0		CDABRM
CCn1ccc([N-]S(=O)(=O)Cc2ccccc2)n1	ZINC000014248929	366140681	/nfs/dbraw/zinc/14/06/81/366140681.db2.gz	OZMKKYPXPUQWLQ-UHFFFAOYSA-N	-1	0	265.338	1.845	40	0		CDABRM
COCCNC(=S)Nc1ccc(C(=O)[O-])c(O)c1	ZINC000408585308	356003393	/nfs/dbraw/zinc/00/33/93/356003393.db2.gz	CZDPIPTUCPBFPX-UHFFFAOYSA-N	-1	0	270.310	1.023	40	0		CDABRM
CC[C@@H](C)NC(=O)C[C@H]([NH2+]Cc1ccccc1)C(=O)[O-]	ZINC000408731159	356132218	/nfs/dbraw/zinc/13/22/18/356132218.db2.gz	YBLACYNVVOVJRX-YPMHNXCESA-N	-1	0	278.352	1.534	40	0		CDABRM
O=C([O-])[C@@H](NS(=O)(=O)C1CCCC1)c1ccccc1	ZINC000016477128	356440480	/nfs/dbraw/zinc/44/04/80/356440480.db2.gz	VGSFJHXXFOCJQG-LBPRGKRZSA-N	-1	0	283.349	1.674	40	0		CDABRM
Cc1ccc(Cl)cc1C[C@H](C(=O)[O-])[NH+]1CCN(C)CC1	ZINC000057626271	357362617	/nfs/dbraw/zinc/36/26/17/357362617.db2.gz	GWBUODULRRVQIG-CQSZACIVSA-N	-1	0	296.798	1.892	40	0		CDABRM
Cn1nc(C2CC2)cc1-c1nnc(CCC(=O)[O-])o1	ZINC000070453446	357724815	/nfs/dbraw/zinc/72/48/15/357724815.db2.gz	KINMGIBACPXGHW-UHFFFAOYSA-N	-1	0	262.269	1.365	40	0		CDABRM
O=C([O-])CNC(=O)[C@H]1CCCC[C@H]1C(F)(F)F	ZINC000134434662	304069253	/nfs/dbraw/zinc/06/92/53/304069253.db2.gz	RPXHKMVKRJKFIF-NKWVEPMBSA-N	-1	0	253.220	1.556	40	0		CDABRM
O=C([O-])c1ccc(OCC(=O)NCc2ccco2)cc1	ZINC000013079773	366422683	/nfs/dbraw/zinc/42/26/83/366422683.db2.gz	RDKFFVAINNBPOZ-UHFFFAOYSA-N	-1	0	275.260	1.673	40	0		CDABRM
CC(C)[C@@H](C)NC(=O)c1ccccc1[N-]S(C)(=O)=O	ZINC000225199490	359559014	/nfs/dbraw/zinc/55/90/14/359559014.db2.gz	KJXAKQUYCHGRLE-SNVBAGLBSA-N	-1	0	284.381	1.832	40	0		CDABRM
CCCCCNc1ccc(C(=O)[O-])cc1S(N)(=O)=O	ZINC000217404959	189709493	/nfs/dbraw/zinc/70/94/93/189709493.db2.gz	OTHBNCCGDYXREZ-UHFFFAOYSA-N	-1	0	286.353	1.634	40	0		CDABRM
Cc1ccc(F)c(NC(=O)[C@H]2[C@H]3C=C[C@H](O3)[C@@H]2C(=O)[O-])c1	ZINC000017022563	367009324	/nfs/dbraw/zinc/00/93/24/367009324.db2.gz	YMOPOVATZPIQJF-VOAKCMCISA-N	-1	0	291.278	1.727	40	0		CDABRM
CC(=O)N[C@H](CCCCNC(=O)OC(C)(C)C)C(=O)[O-]	ZINC000001643439	370397783	/nfs/dbraw/zinc/39/77/83/370397783.db2.gz	NZAMQYCOJSWUAO-SNVBAGLBSA-N	-1	0	288.344	1.271	40	0		CDABRM
Cc1ccc(NC(=O)C[C@H](C(=O)[O-])N2CCOCC2)cc1	ZINC000003881025	373298359	/nfs/dbraw/zinc/29/83/59/373298359.db2.gz	PUOQADNOYRVXPS-CYBMUJFWSA-N	-1	0	292.335	1.109	40	0		CDABRM
CCn1nc(C)c(C(=O)N2CCC(CC(=O)[O-])CC2)c1C	ZINC000257328145	190035161	/nfs/dbraw/zinc/03/51/61/190035161.db2.gz	XEIXHJFHIIGZEF-UHFFFAOYSA-N	-1	0	293.367	1.847	40	0		CDABRM
O=C([O-])c1ccnn(Cc2ccc(Cl)cc2)c1=O	ZINC000096517610	390532714	/nfs/dbraw/zinc/53/27/14/390532714.db2.gz	KYANCSYRNJATPM-UHFFFAOYSA-N	-1	0	264.668	1.643	40	0		CDABRM
Cc1nc(N2CC[NH+](C(C)C)CC2)ccc1C(=O)[O-]	ZINC000072224745	390625100	/nfs/dbraw/zinc/62/51/00/390625100.db2.gz	VTGMNNUYPASXJH-UHFFFAOYSA-N	-1	0	263.341	1.619	40	0		CDABRM
Nc1cc(=O)nc2[n-]c(CCc3ccccc3)nn21	ZINC000072415087	390628921	/nfs/dbraw/zinc/62/89/21/390628921.db2.gz	WKEIWSUXLAYXQR-UHFFFAOYSA-N	-1	0	255.281	1.197	40	0		CDABRM
Cc1ccc([C@@H]2[C@@H](S(C)(=O)=O)[C@@H]2C(=O)[O-])cc1	ZINC000218337987	130768669	/nfs/dbraw/zinc/76/86/69/130768669.db2.gz	SKRNMGRKTHUUCP-HBNTYKKESA-N	-1	0	254.307	1.206	40	0		CDABRM
CCc1nc(CC(=O)NCc2ccc(C(=O)[O-])o2)cs1	ZINC000237036105	130999533	/nfs/dbraw/zinc/99/95/33/130999533.db2.gz	ODOMLYBKKRVOFF-UHFFFAOYSA-N	-1	0	294.332	1.856	40	0		CDABRM
CCOc1cc(C[NH2+][C@H](C)C(=O)[O-])ccc1OCC(=O)[O-]	ZINC000062717045	392803734	/nfs/dbraw/zinc/80/37/34/392803734.db2.gz	PEYKXBKAYCRKCD-SECBINFHSA-N	-1	0	297.307	1.111	40	0		CDABRM
CCC(=C([O-])c1ccc(N)cc1)S(=O)(=O)CC	ZINC000096518071	393188159	/nfs/dbraw/zinc/18/81/59/393188159.db2.gz	CNLLAVRXYMMJLC-NSHDSACASA-N	-1	0	255.339	1.665	40	0		CDABRM
CCCCCC[C@@H](C)C1C(=O)NC(=S)N=C1[O-]	ZINC000006778127	170242887	/nfs/dbraw/zinc/24/28/87/170242887.db2.gz	ZTGSHTKPNGEHAI-MRVPVSSYSA-N	-1	0	256.371	1.740	40	0		CDABRM
CCn1ccc(CN2CCC(CC(=O)[O-])CC2)n1	ZINC000012398828	170485212	/nfs/dbraw/zinc/48/52/12/170485212.db2.gz	FJXOTIBEHGJFEN-UHFFFAOYSA-N	-1	0	251.330	1.590	40	0		CDABRM
O=C([O-])[C@H]1CCn2c(C(=O)c3ccc(O)cc3)ccc21	ZINC000021981233	171344408	/nfs/dbraw/zinc/34/44/08/171344408.db2.gz	PIQMOWBWPFGZMW-NSHDSACASA-N	-1	0	271.272	1.997	40	0	world	CDABRM
O=c1ccn(Cc2nnn[n-]2)c2cc(C(F)(F)F)ccc12	ZINC000040164064	174197112	/nfs/dbraw/zinc/19/71/12/174197112.db2.gz	GFSFZGSSAXSQII-UHFFFAOYSA-N	-1	0	295.224	1.582	40	0		CDABRM
CC(C)(C)C(=O)NCC(=O)N1CCC[C@@H](CCC(=O)[O-])C1	ZINC000043584266	175070847	/nfs/dbraw/zinc/07/08/47/175070847.db2.gz	ABDHALGWDZOBQZ-NSHDSACASA-N	-1	0	298.383	1.252	40	0		CDABRM
O=C([O-])C1=CCCN(C(=O)COc2ccccc2)C1	ZINC000072226979	176343427	/nfs/dbraw/zinc/34/34/27/176343427.db2.gz	BZOQNWPYPLZONV-UHFFFAOYSA-N	-1	0	261.277	1.309	40	0		CDABRM
CC(C)C(=O)N1CCCc2sc(C(=O)[O-])nc21	ZINC000101780221	278684674	/nfs/dbraw/zinc/68/46/74/278684674.db2.gz	ACXRDJXCNLAOOU-UHFFFAOYSA-N	-1	0	254.311	1.777	40	0		CDABRM
CC(C)C[C@H](NC(=O)c1cnc2ccccc2n1)C(=O)[O-]	ZINC000001581180	279191373	/nfs/dbraw/zinc/19/13/73/279191373.db2.gz	UBOSXPMDFMSSMU-LBPRGKRZSA-N	-1	0	287.319	1.859	40	0		CDABRM
CC(C)c1ccc(-n2c(=O)[nH]cc(CC(=O)[O-])c2=O)cc1	ZINC000020156427	280585733	/nfs/dbraw/zinc/58/57/33/280585733.db2.gz	KABMAQMFQKCWIU-UHFFFAOYSA-N	-1	0	288.303	1.276	40	0		CDABRM
CC1=C(C(=O)[O-])S[C@H](N)N1C(=O)OC(C)(C)C	ZINC000098087575	281656197	/nfs/dbraw/zinc/65/61/97/281656197.db2.gz	CBXQUJSWBGXLMI-MRVPVSSYSA-N	-1	0	260.315	1.529	40	0		CDABRM
Cc1cc(C)cc(NC(=O)[C@@H]2[C@H]3C=C[C@H](O3)[C@@H]2C(=O)[O-])c1	ZINC000004175283	301226852	/nfs/dbraw/zinc/22/68/52/301226852.db2.gz	HZGCKDDXNQCAME-RQJABVFESA-N	-1	0	287.315	1.896	40	0		CDABRM
Cc1cc(Nc2ccc(C(=O)[O-])cc2)n2ncnc2n1	ZINC000000180094	301365550	/nfs/dbraw/zinc/36/55/50/301365550.db2.gz	SFBLZPDAZCRAND-UHFFFAOYSA-N	-1	0	269.264	1.875	40	0		CDABRM
O=C([O-])c1cnc(N[C@H](CCO)C2CCCCC2)nc1	ZINC000569696921	316829892	/nfs/dbraw/zinc/82/98/92/316829892.db2.gz	FSEBIKQDTNXTPZ-GFCCVEGCSA-N	-1	0	279.340	1.918	40	0		CDABRM
COC(=O)/C(C)=C/C=C/C[C@@H](C)[C@H](O)CC(=O)[O-]	ZINC000514288171	330463016	/nfs/dbraw/zinc/46/30/16/330463016.db2.gz	SJGQDRGIIKTZAH-UXGYVZRYSA-N	-1	0	256.298	1.524	40	0	biogenic,in-vitro	CDABRM
C[C@@H](O)[C@H](C(=O)[O-])N(C)C(=O)OCc1ccccc1	ZINC000220742432	482713264	/nfs/dbraw/zinc/71/32/64/482713264.db2.gz	VTXCJGLSFIOQNL-MWLCHTKSSA-N	-1	0	267.281	1.089	40	0		CDABRM
COC[C@@](C)(CC(=O)[O-])NC(=O)c1ccc(C)c(F)c1	ZINC000237198068	601294471	/nfs/dbraw/zinc/29/44/71/601294471.db2.gz	XZARQZNRHPGIMK-CQSZACIVSA-N	-1	0	283.299	1.744	40	0		CDABRM
CCOC(=O)c1cnc2cc(-c3ccccc3)[n-]n2c1=O	ZINC000135725596	361759459	/nfs/dbraw/zinc/75/94/59/361759459.db2.gz	FQPGKALBRAXASK-UHFFFAOYSA-N	-1	0	283.287	1.866	40	0		CDABRM
CC[C@H](C(=O)OC(C)(C)C)n1ccc(C(=O)[O-])n1	ZINC000408715856	529624664	/nfs/dbraw/zinc/62/46/64/529624664.db2.gz	FWOWLMXSYDNLEI-SECBINFHSA-N	-1	0	254.286	1.874	40	0		CDABRM
C[C@@H](CC(=O)[O-])n1ccc(C(=O)OC(C)(C)C)n1	ZINC000408716262	365728821	/nfs/dbraw/zinc/72/88/21/365728821.db2.gz	KQSRDTLSIICYFP-QMMMGPOBSA-N	-1	0	254.286	1.874	40	0		CDABRM
CC[C@@H](C(=O)OC(C)(C)C)n1ccc(C(=O)[O-])n1	ZINC000408715857	365728925	/nfs/dbraw/zinc/72/89/25/365728925.db2.gz	FWOWLMXSYDNLEI-VIFPVBQESA-N	-1	0	254.286	1.874	40	0		CDABRM
C[C@H]1C(=O)CC[C@@H]1CC(=O)N=c1cc(C(F)(F)F)[n-][nH]1	ZINC000330107743	362148431	/nfs/dbraw/zinc/14/84/31/362148431.db2.gz	MOLWMEOKIJWEAC-RNFRBKRXSA-N	-1	0	289.257	1.794	40	0		CDABRM
Cc1ocnc1C(=O)N(CCC(=O)[O-])C[C@@H]1CCCO1	ZINC000537402456	282359715	/nfs/dbraw/zinc/35/97/15/282359715.db2.gz	KSGPGAUFWRKIHU-JTQLQIEISA-N	-1	0	282.296	1.079	40	0		CDABRM
Cc1nc(CN2CCn3cnc(C(=O)[O-])c3C2=O)cs1	ZINC000306126729	201840837	/nfs/dbraw/zinc/84/08/37/201840837.db2.gz	FDODZUGMDGAUPV-UHFFFAOYSA-N	-1	0	292.320	1.002	40	0		CDABRM
O=C([O-])CN1C(=O)C(=CC=Cc2ccccc2)NC1=S	ZINC000002713824	355979963	/nfs/dbraw/zinc/97/99/63/355979963.db2.gz	WPDJSEMFYFNXHI-KXBBGWRGSA-N	-1	0	288.328	1.385	40	0		CDABRM
C[C@H](Nc1ncc2c(n1)-c1ccccc1OC2)C(=O)[O-]	ZINC000001651210	355944436	/nfs/dbraw/zinc/94/44/36/355944436.db2.gz	YLJJKDVWNYLTIE-QMMMGPOBSA-N	-1	0	271.276	1.921	40	0		CDABRM
CCC(CC)(NS(=O)(=O)c1ccccc1)C(=O)[O-]	ZINC000001665198	355945475	/nfs/dbraw/zinc/94/54/75/355945475.db2.gz	AUFJTYMEBOOKQU-UHFFFAOYSA-N	-1	0	271.338	1.608	40	0		CDABRM
Cc1csc(NC(=O)[C@H]2[C@@H](C(=O)[O-])[C@H]3C=C[C@@H]2O3)n1	ZINC000002513503	355972579	/nfs/dbraw/zinc/97/25/79/355972579.db2.gz	WJRPHTSFHUPAIQ-KDXUFGMBSA-N	-1	0	280.305	1.044	40	0		CDABRM
CSc1n[nH]c([N-]S(=O)(=O)c2ccc(C)cc2)n1	ZINC000016310663	356436590	/nfs/dbraw/zinc/43/65/90/356436590.db2.gz	NIDFQTUBQJZKRW-UHFFFAOYSA-N	-1	0	284.366	1.636	40	0		CDABRM
CCC[C@H](C)NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1	ZINC000019982010	356520705	/nfs/dbraw/zinc/52/07/05/356520705.db2.gz	FSDFBYLXLVNBHV-QMMMGPOBSA-N	-1	0	289.328	1.991	40	0		CDABRM
Cc1ccc(CC(=O)N2CCOC[C@@H]2CC(=O)[O-])cc1	ZINC000129436712	358283197	/nfs/dbraw/zinc/28/31/97/358283197.db2.gz	NGGQWFFJLVXMCJ-ZDUSSCGKSA-N	-1	0	277.320	1.240	40	0		CDABRM
O=C([O-])[C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C(=O)NCc1cccnc1	ZINC000013320669	366454829	/nfs/dbraw/zinc/45/48/29/366454829.db2.gz	JSZGNPPTEGDQCN-QNWHQSFQSA-N	-1	0	274.320	1.445	40	0		CDABRM
Cc1ccc(C)c([C@@H]2N[C@H](C(=O)[O-])Cc3[nH]cnc32)c1	ZINC000096300028	358731868	/nfs/dbraw/zinc/73/18/68/358731868.db2.gz	GIMWETWRDANASG-STQMWFEESA-N	-1	0	271.320	1.715	40	0		CDABRM
COC(=O)C=C(C)N[C@@H](C(=O)[O-])c1ccc(O)cc1	ZINC000100412270	358829552	/nfs/dbraw/zinc/82/95/52/358829552.db2.gz	VXLHFWHJVCLKPT-QDZRJHCZSA-N	-1	0	265.265	1.184	40	0		CDABRM
Cc1cccc(N2C(=O)C[C@@H](SCC(=O)[O-])C2=O)c1C	ZINC000100855793	358836090	/nfs/dbraw/zinc/83/60/90/358836090.db2.gz	GPGMOEYJHJATST-LLVKDONJSA-N	-1	0	293.344	1.753	40	0		CDABRM
CCNS(=O)(=O)c1cc(CCC(=O)[O-])ccc1OC	ZINC000032134328	359187299	/nfs/dbraw/zinc/18/72/99/359187299.db2.gz	JUFMGBMDQQLQLE-UHFFFAOYSA-N	-1	0	287.337	1.011	40	0		CDABRM
COc1ccc(CCN(CC(=O)[O-])C(C)=O)cc1OC	ZINC000225316587	359575726	/nfs/dbraw/zinc/57/57/26/359575726.db2.gz	DAWSNDGWJABMMN-UHFFFAOYSA-N	-1	0	281.308	1.179	40	0		CDABRM
CCOc1ccc(/C=C2/NC(=O)[N-]C2=O)cc1OCC	ZINC000408917060	363675938	/nfs/dbraw/zinc/67/59/38/363675938.db2.gz	LRNPHFFSNYBPMW-JXMROGBWSA-N	-1	0	276.292	1.664	40	0		CDABRM
C[C@@]1(CBr)[C@@H](C(N)=O)CC[C@]1(C)C(=O)[O-]	ZINC000033695801	360100322	/nfs/dbraw/zinc/10/03/22/360100322.db2.gz	GDVKTHPEYJKGGD-BDODKLCJSA-N	-1	0	278.146	1.374	40	0		CDABRM
Cn1cc(C(=O)Nc2ccccc2CC(=O)[O-])cn1	ZINC000053200156	361198431	/nfs/dbraw/zinc/19/84/31/361198431.db2.gz	RUNGJFLZKOKWFN-UHFFFAOYSA-N	-1	0	259.265	1.300	40	0		CDABRM
COc1ccc(-n2nc(C(=O)[O-])nc2C)cc1F	ZINC000575415174	364803482	/nfs/dbraw/zinc/80/34/82/364803482.db2.gz	RGJLAAUJDOTPPW-UHFFFAOYSA-N	-1	0	251.217	1.422	40	0		CDABRM
CCCCNS(=O)(=O)c1ccc(C)c(C(=O)[O-])c1	ZINC000013074372	374639623	/nfs/dbraw/zinc/63/96/23/374639623.db2.gz	FDLWNSOZHQQNIM-UHFFFAOYSA-N	-1	0	271.338	1.772	40	0		CDABRM
COc1cccc(/C=C2/SC(=O)N(CC(=O)[O-])C2=O)c1	ZINC000028296880	375239426	/nfs/dbraw/zinc/23/94/26/375239426.db2.gz	MYISOQXSDQHERI-UXBLZVDNSA-N	-1	0	293.300	1.816	40	0		CDABRM
CC(=O)N1CC(c2ccnc([N-]c3nccs3)n2)C1	ZINC000257266777	190023173	/nfs/dbraw/zinc/02/31/73/190023173.db2.gz	MEMVTVRFIREJMP-UHFFFAOYSA-N	-1	0	275.337	1.622	40	0		CDABRM
Cc1nccc([C@H]2CCCN2C(=O)CCC(=O)[O-])n1	ZINC000257269044	190024286	/nfs/dbraw/zinc/02/42/86/190024286.db2.gz	MOILXBBMHCRXCP-LLVKDONJSA-N	-1	0	263.297	1.313	40	0		CDABRM
O=C([O-])c1c(F)nc(F)cc1I	ZINC000095470406	304217563	/nfs/dbraw/zinc/21/75/63/304217563.db2.gz	MIXJKVCUGXLPOW-UHFFFAOYSA-N	-1	0	284.987	1.663	40	0		CDABRM
O=C([O-])c1ccc(C(=O)N2CCOc3ccccc32)cn1	ZINC000237982084	304234832	/nfs/dbraw/zinc/23/48/32/304234832.db2.gz	LPTAELURJPIZSV-UHFFFAOYSA-N	-1	0	284.271	1.819	40	0		CDABRM
O=C1NC(=O)[C@@]23CCCCc4cccc(c42)C([O-])=C13	ZINC000001580459	390138912	/nfs/dbraw/zinc/13/89/12/390138912.db2.gz	CAUZCEGHOIHNJU-ABAIWWIYSA-N	-1	0	255.273	1.120	40	0		CDABRM
COc1ccc([C@@H]2Cn3ncc(C(=O)[O-])c3N2)cc1	ZINC000096530301	390541882	/nfs/dbraw/zinc/54/18/82/390541882.db2.gz	KYSWGGXSBZPEEW-NSHDSACASA-N	-1	0	259.265	1.757	40	0		CDABRM
C[C@@H](CC(=O)OC(C)(C)C)n1cc(C(=O)[O-])cn1	ZINC000408716715	533455840	/nfs/dbraw/zinc/45/58/40/533455840.db2.gz	QDSUGMQQYKUJRR-QMMMGPOBSA-N	-1	0	254.286	1.874	40	0		CDABRM
COc1ccc(CCn2cc(C(=O)[O-])ccc2=O)cc1	ZINC000043672006	175087116	/nfs/dbraw/zinc/08/71/16/175087116.db2.gz	XHHLGFIUJQUBJA-UHFFFAOYSA-N	-1	0	273.288	1.798	40	0		CDABRM
COc1ccc(-c2cc(C(=O)[O-])cc(=O)n2C)cc1	ZINC000071585066	176210351	/nfs/dbraw/zinc/21/03/51/176210351.db2.gz	KGDIFNSJNNUQEF-UHFFFAOYSA-N	-1	0	259.261	1.759	40	0		CDABRM
COc1ccc(C2=NO[C@@](C)(C(=O)[O-])C2)cc1OC	ZINC000071980980	176307759	/nfs/dbraw/zinc/30/77/59/176307759.db2.gz	MARMYVJTFOWRCT-CYBMUJFWSA-N	-1	0	265.265	1.672	40	0		CDABRM
CC(C)c1noc(-c2ccc3nnc(CC(=O)[O-])n3c2)n1	ZINC000072221309	176343207	/nfs/dbraw/zinc/34/32/07/176343207.db2.gz	PBNULBSMNWEUFL-UHFFFAOYSA-N	-1	0	287.279	1.530	40	0		CDABRM
C[C@H]1CCc2nnc(N3CCC(C(=O)[O-])CC3)cc2C1	ZINC000096530185	300090538	/nfs/dbraw/zinc/09/05/38/300090538.db2.gz	SGSPQTLQJFDRBW-JTQLQIEISA-N	-1	0	275.352	1.902	40	0		CDABRM
Cc1nccc2c3ccc(O)cc3n(S(=O)(=O)[O-])c21	ZINC000006348550	302711162	/nfs/dbraw/zinc/71/11/62/302711162.db2.gz	OEWLKIMQUXTKQQ-UHFFFAOYSA-N	-1	0	278.289	1.854	40	0		CDABRM
Nc1nn(-c2cc(Cl)ccc2Cl)nc1C(=O)[O-]	ZINC000089263394	303506603	/nfs/dbraw/zinc/50/66/03/303506603.db2.gz	HHUJRIAFXFINMW-UHFFFAOYSA-N	-1	0	273.079	1.855	40	0		CDABRM
CC(C)Cn1cc(C(=O)[O-])c(I)n1	ZINC000408717784	327772654	/nfs/dbraw/zinc/77/26/54/327772654.db2.gz	UGKWJBDKCFYMMS-UHFFFAOYSA-N	-1	0	294.092	1.842	40	0		CDABRM
C[C@@]12C=C[C@@H](O1)[C@@H](C(=O)[O-])[C@@H]2C(=O)Nc1ccccc1	ZINC000409371589	230413788	/nfs/dbraw/zinc/41/37/88/230413788.db2.gz	XJIWILQNDOZHFN-BLTAXRJOSA-N	-1	0	273.288	1.669	40	0		CDABRM
O=C([O-])[C@H]1CC[C@@H](C(=O)NCCCC(F)(F)F)O1	ZINC000222763220	230398637	/nfs/dbraw/zinc/39/86/37/230398637.db2.gz	JMOGLGWDVHGOHP-NKWVEPMBSA-N	-1	0	269.219	1.077	40	0		CDABRM
O=C([O-])c1cnc2[nH]ccc(I)c1-2	ZINC000044700226	342117512	/nfs/dbraw/zinc/11/75/12/342117512.db2.gz	FDIZUDFVROKORI-UHFFFAOYSA-N	-1	0	288.044	1.866	40	0		CDABRM
COC[C@@]1(C(=O)[O-])CCCN1C(=O)CCC(F)(F)F	ZINC000643848863	361931183	/nfs/dbraw/zinc/93/11/83/361931183.db2.gz	NRSNOZHCURXLPN-SNVBAGLBSA-N	-1	0	283.246	1.421	40	0		CDABRM
CCOc1ccccc1[C@H]1OC(=O)C[C@H]1C(=O)[O-]	ZINC000085394553	179049035	/nfs/dbraw/zinc/04/90/35/179049035.db2.gz	FFVOOPRAODNBTF-BXKDBHETSA-N	-1	0	250.250	1.774	40	0		CDABRM
CCOc1ccccc1[C@@H]1OC(=O)C[C@H]1C(=O)[O-]	ZINC000085394556	179049170	/nfs/dbraw/zinc/04/91/70/179049170.db2.gz	FFVOOPRAODNBTF-SKDRFNHKSA-N	-1	0	250.250	1.774	40	0		CDABRM
C[C@@H]1[C@H](C(=O)[O-])[NH2+][C@@H](c2ccc(Cl)cc2)[C@H]1C(=O)[O-]	ZINC000253603314	350506379	/nfs/dbraw/zinc/50/63/79/350506379.db2.gz	CWSJTEZWAJPIKN-HTCUVTCBSA-N	-1	0	283.711	1.774	40	0		CDABRM
O=C([O-])[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C(=O)Nc1nncs1	ZINC000000068145	355883152	/nfs/dbraw/zinc/88/31/52/355883152.db2.gz	ITKCCXPWRNSEHE-YWIQKCBGSA-N	-1	0	267.310	1.224	40	0		CDABRM
O=C([O-])[C@@H]1[C@@H](C(=O)NCC2CCCCC2)[C@H]2C=C[C@@H]1O2	ZINC000035897777	356053183	/nfs/dbraw/zinc/05/31/83/356053183.db2.gz	UWOWKGPJBKLTCL-VOAKCMCISA-N	-1	0	279.336	1.337	40	0		CDABRM
Oc1csc(SCc2cn3cccnc3n2)n1	ZINC000016546092	356440988	/nfs/dbraw/zinc/44/09/88/356440988.db2.gz	BCXLQQZLWGBGHW-UHFFFAOYSA-N	-1	0	264.335	1.592	40	0		CDABRM
Nc1ccc(NCCCN2CCOCC2)c(C(=O)[O-])c1	ZINC000037930803	356578230	/nfs/dbraw/zinc/57/82/30/356578230.db2.gz	SLFHCPSYJXOKCG-UHFFFAOYSA-N	-1	0	279.340	1.101	40	0		CDABRM
CC(C)(C)OC(=O)N1CCC(COCC(=O)[O-])CC1	ZINC000079390203	356988139	/nfs/dbraw/zinc/98/81/39/356988139.db2.gz	RMOWOSXWBRLZKT-UHFFFAOYSA-N	-1	0	273.329	1.735	40	0		CDABRM
Cc1nc(Cc2ccc(Cl)cc2)[nH]c(=O)c1CC(=O)[O-]	ZINC000041084607	357020886	/nfs/dbraw/zinc/02/08/86/357020886.db2.gz	LEEFGRSFHORVBZ-UHFFFAOYSA-N	-1	0	292.722	1.950	40	0		CDABRM
COc1ccccc1/C=C/C(=O)N[C@@H](C(=O)[O-])C(C)C	ZINC000033440835	359332455	/nfs/dbraw/zinc/33/24/55/359332455.db2.gz	WNBRHGFBFRNVGP-MYSGNRETSA-N	-1	0	277.320	1.934	40	0		CDABRM
O=C([O-])[C@H]1[C@@H](C(=O)Nc2cccc(Cl)c2)[C@H]2C=C[C@@H]1O2	ZINC000225644885	359606180	/nfs/dbraw/zinc/60/61/80/359606180.db2.gz	MUCYWRUWPNJXHN-NOOOWODRSA-N	-1	0	293.706	1.933	40	0		CDABRM
O=C([O-])[C@@H]1CCCCN1C(=O)C(F)(F)Br	ZINC000085397108	304101970	/nfs/dbraw/zinc/10/19/70/304101970.db2.gz	USKHXENJBFMALN-YFKPBYRVSA-N	-1	0	286.072	1.440	40	0		CDABRM
COc1cc([C@@H]2NC[C@H](C(=O)[O-])S2)cc(OC)c1OC	ZINC000408977287	363775442	/nfs/dbraw/zinc/77/54/42/363775442.db2.gz	HZBSKWWUKIUVQS-ZYHUDNBSSA-N	-1	0	299.348	1.501	40	0		CDABRM
CC[C@H](C)Nc1ccc(C(=O)[O-])cc1S(N)(=O)=O	ZINC000217402751	189709470	/nfs/dbraw/zinc/70/94/70/189709470.db2.gz	BSMRRZSFBUOYOP-ZETCQYMHSA-N	-1	0	272.326	1.243	40	0		CDABRM
Cc1cc(C)c2[nH]c(=O)c(S(=O)(=O)[O-])c(C)c2c1	ZINC000227163507	189781372	/nfs/dbraw/zinc/78/13/72/189781372.db2.gz	QXROXXAQUAKNLX-UHFFFAOYSA-N	-1	0	267.306	1.700	40	0		CDABRM
O=C([O-])CCOCCNC(=O)OCc1ccccc1	ZINC000307574574	373038473	/nfs/dbraw/zinc/03/84/73/373038473.db2.gz	CRNWVZCUBIJZEC-UHFFFAOYSA-N	-1	0	267.281	1.404	40	0		CDABRM
Cc1noc(C)c1S(=O)(=O)[N-]c1ccc(Cl)cn1	ZINC000028232899	375217269	/nfs/dbraw/zinc/21/72/69/375217269.db2.gz	UTRLTGCKZSOLJP-UHFFFAOYSA-N	-1	0	287.728	1.563	40	0		CDABRM
COCC(=O)N1CCC[C@H]1c1cccc(CCC(=O)[O-])n1	ZINC000257248403	190020076	/nfs/dbraw/zinc/02/00/76/190020076.db2.gz	JDMKNQXRODAXGF-ZDUSSCGKSA-N	-1	0	292.335	1.409	40	0		CDABRM
CC(C)c1ncc(CN[C@@H](C)[P@@](=O)([O-])O)cn1	ZINC000218773535	375892569	/nfs/dbraw/zinc/89/25/69/375892569.db2.gz	YBBRTDGONIQYSJ-MRVPVSSYSA-N	-1	0	259.246	1.213	40	0		CDABRM
O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)Nc1ccccn1	ZINC000003878793	304211734	/nfs/dbraw/zinc/21/17/34/304211734.db2.gz	CDNKPIRXQQWJCC-DMWPJOQESA-N	-1	0	258.277	1.543	40	0		CDABRM
CO[C@@H](C)CS(=O)(=O)Nc1ccc(C(=O)[O-])cc1	ZINC000278698898	194109426	/nfs/dbraw/zinc/10/94/26/194109426.db2.gz	RVBQRJPMFOPXIF-QMMMGPOBSA-N	-1	0	273.310	1.161	40	0		CDABRM
C[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1[C@@H](C(=O)[O-])[C@H]2CC[C@@H]1O2	ZINC000017008585	296338248	/nfs/dbraw/zinc/33/82/48/296338248.db2.gz	ZKUKAPRFCHJVNA-YERPJTIDSA-N	-1	0	281.352	1.560	40	0		CDABRM
CCOc1cc(C[NH2+][C@@H](C)C(=O)[O-])ccc1OCC(=O)[O-]	ZINC000062717044	256721605	/nfs/dbraw/zinc/72/16/05/256721605.db2.gz	PEYKXBKAYCRKCD-VIFPVBQESA-N	-1	0	297.307	1.111	40	0		CDABRM
CS(=O)(=O)C1(c2nc(CC(=O)[O-])cs2)CCC1	ZINC000096531962	390542043	/nfs/dbraw/zinc/54/20/43/390542043.db2.gz	MMSGAIJWGCMJCD-UHFFFAOYSA-N	-1	0	275.351	1.194	40	0		CDABRM
CC[C@H]1CCCC[C@@H]1OCC(=O)[N-]S(C)(=O)=O	ZINC000184274812	391511779	/nfs/dbraw/zinc/51/17/79/391511779.db2.gz	YBEDIPXRGDPMST-UWVGGRQHSA-N	-1	0	263.359	1.048	40	0		CDABRM
O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)c1cc(=O)[nH]c2ccccc21	ZINC000263340839	140471930	/nfs/dbraw/zinc/47/19/30/140471930.db2.gz	RXOMPOLWRFEGGU-DTORHVGOSA-N	-1	0	286.287	1.533	40	0		CDABRM
CC(C)N(CCC(=O)[O-])C(=O)c1ccnc(C2CC2)n1	ZINC000362326516	159121984	/nfs/dbraw/zinc/12/19/84/159121984.db2.gz	XTWNCJPCFLVXBQ-UHFFFAOYSA-N	-1	0	277.324	1.679	40	0		CDABRM
Cc1cc(OCC(=O)[O-])ccc1NC(=O)C[C@@H]1CCOC1	ZINC000362606822	159193383	/nfs/dbraw/zinc/19/33/83/159193383.db2.gz	SCWAGMUVNDGIAM-NSHDSACASA-N	-1	0	293.319	1.824	40	0		CDABRM
C[C@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)[O-]	ZINC000006763224	170241865	/nfs/dbraw/zinc/24/18/65/170241865.db2.gz	QVXJTAYSHMLIOB-YFKPBYRVSA-N	-1	0	298.147	1.745	40	0		CDABRM
COC(=O)[C@@]1(C)C[C@@H](C(=O)[O-])[C@H](c2ccc(F)cc2)N1C	ZINC000008730143	170350691	/nfs/dbraw/zinc/35/06/91/170350691.db2.gz	CNASGDLXRTYKQU-TYNCELHUSA-N	-1	0	295.310	1.835	40	0		CDABRM
CCOC(=O)C=C([O-])c1cccc(Br)n1	ZINC000035633113	172315895	/nfs/dbraw/zinc/31/58/95/172315895.db2.gz	NBUIJCVQACXAEM-UHFFFAOYSA-N	-1	0	272.098	1.980	40	0		CDABRM
O=C([O-])Cc1nc2nc(C3CC3)cc(C(F)(F)F)n2n1	ZINC000035655487	172331139	/nfs/dbraw/zinc/33/11/39/172331139.db2.gz	DSONDMAFJXEPET-UHFFFAOYSA-N	-1	0	286.213	1.648	40	0		CDABRM
CC(C)C(=O)Nc1ccc(N2C[C@H](C(=O)[O-])CC2=O)cc1	ZINC000045953810	175389059	/nfs/dbraw/zinc/38/90/59/175389059.db2.gz	YAXVDCPYDSRUNS-SNVBAGLBSA-N	-1	0	290.319	1.719	40	0		CDABRM
CC(C)Cn1ncc(I)c1C(=O)[O-]	ZINC000072339341	176371521	/nfs/dbraw/zinc/37/15/21/176371521.db2.gz	XAPTXGYUOXQRLA-UHFFFAOYSA-N	-1	0	294.092	1.842	40	0		CDABRM
Cc1noc(C)c1C(=O)N[C@H](Cc1ccncc1)C(=O)[O-]	ZINC000655603067	424160593	/nfs/dbraw/zinc/16/05/93/424160593.db2.gz	QOSKWEDLDHKODU-LLVKDONJSA-N	-1	0	289.291	1.112	40	0		CDABRM
Cc1[nH]c2[n-]n(-c3ccc(F)cc3)c(=O)c2c(=O)c1C	ZINC000008020915	280183206	/nfs/dbraw/zinc/18/32/06/280183206.db2.gz	HEFGECHXWOPALV-UHFFFAOYSA-N	-1	0	273.267	1.763	40	0		CDABRM
Cc1ccc(NC(=O)[C@H]2[C@H]3C=C[C@H](O3)[C@@H]2C(=O)[O-])cc1	ZINC000005042617	301644774	/nfs/dbraw/zinc/64/47/74/301644774.db2.gz	ZUTLXYKCFKCEMK-VOAKCMCISA-N	-1	0	273.288	1.588	40	0		CDABRM
Cc1cccc(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])n1	ZINC000000369004	302004102	/nfs/dbraw/zinc/00/41/02/302004102.db2.gz	LEBDTPXPEMGCGI-URBCHYCLSA-N	-1	0	272.304	1.851	40	0		CDABRM
CN(Cc1cnn(C)c1)[C@@H](C(=O)[O-])c1ccccc1F	ZINC000582791018	325045175	/nfs/dbraw/zinc/04/51/75/325045175.db2.gz	OGOPUBJTYWMNNF-CYBMUJFWSA-N	-1	0	277.299	1.817	40	0		CDABRM
COc1ccc(/C=C/C(=O)NCCCC(=O)[O-])c(OC)c1	ZINC000062714792	523390749	/nfs/dbraw/zinc/39/07/49/523390749.db2.gz	IFOYKYMGVULXIX-SOFGYWHQSA-N	-1	0	293.319	1.698	40	0		CDABRM
O=C([O-])c1ccc(NC(=O)[C@@H]2CCCOC2)c(F)c1	ZINC000063009104	526375956	/nfs/dbraw/zinc/37/59/56/526375956.db2.gz	IBENVVOILFOQID-SECBINFHSA-N	-1	0	267.256	1.889	40	0		CDABRM
O=C([O-])C1=CC(=NNc2cccc([N+](=O)[O-])c2)C=CC1=O	ZINC000137243648	1175984699	/nfs/dbraw/zinc/98/46/99/1175984699.db2.gz	JUCNWLIQKUBCRB-OQLLNIDSSA-N	-1	0	287.231	1.513	40	0		CDABRM
O=C([O-])c1cccc(NCC[C@H](O)C(F)(F)F)n1	ZINC000263381821	839336070	/nfs/dbraw/zinc/33/60/70/839336070.db2.gz	CQTRETGAARVCOH-ZETCQYMHSA-N	-1	0	264.203	1.505	40	0		CDABRM
O=c1nc[n-]c2cc(I)sc21	ZINC000095614962	185016179	/nfs/dbraw/zinc/01/61/79/185016179.db2.gz	YNWYDHQWPQXICN-UHFFFAOYSA-N	-1	0	278.074	1.589	40	0		CDABRM
O=C([O-])C1CCN(c2cc(-c3ccncc3)[nH]n2)CC1	ZINC000096517187	342165857	/nfs/dbraw/zinc/16/58/57/342165857.db2.gz	PODIHQPLKKXOHC-UHFFFAOYSA-N	-1	0	272.308	1.773	40	0		CDABRM
CC[C@@H](C(=O)OC(C)(C)C)n1cc(C(=O)[O-])cn1	ZINC000408715955	365728817	/nfs/dbraw/zinc/72/88/17/365728817.db2.gz	HDSQRYLJPZCQSX-VIFPVBQESA-N	-1	0	254.286	1.874	40	0		CDABRM
COC=C1Sc2nc3ccccc3c(=O)n2[N-]C1=O	ZINC000038700899	290848240	/nfs/dbraw/zinc/84/82/40/290848240.db2.gz	BEFKMNJKGJQVIV-RMKNXTFCSA-N	-1	0	275.289	1.060	40	0		CDABRM
C[C@@H](C(=O)[O-])N(C(=O)Cc1ccc(O)cc1)C1CC1	ZINC000262126707	295796365	/nfs/dbraw/zinc/79/63/65/295796365.db2.gz	KHQGWTRIZBJESE-VIFPVBQESA-N	-1	0	263.293	1.399	40	0		CDABRM
O=C([O-])[C@H]1CC[N@H+](Cc2cn3cc(Cl)ccc3n2)C1	ZINC000062134532	363015130	/nfs/dbraw/zinc/01/51/30/363015130.db2.gz	FAJJMJFXRUOHAU-VIFPVBQESA-N	-1	0	279.727	1.894	40	0		CDABRM
CC(C)[C@H](NC(=O)c1cc(-c2cccnc2)on1)C(=O)[O-]	ZINC000236768873	366211981	/nfs/dbraw/zinc/21/19/81/366211981.db2.gz	YFDIVWHKRFFEOH-LBPRGKRZSA-N	-1	0	289.291	1.576	40	0		CDABRM
O=C([O-])CCCC1=NS(=O)(=O)c2ccccc2N1	ZINC000005932479	304045774	/nfs/dbraw/zinc/04/57/74/304045774.db2.gz	IUDZFSRMHKCVNV-UHFFFAOYSA-N	-1	0	268.294	1.454	40	0		CDABRM
O=C([O-])c1nnsc1COCc1ccccc1	ZINC000001680997	355946990	/nfs/dbraw/zinc/94/69/90/355946990.db2.gz	BQHIBHRQAIRGLL-UHFFFAOYSA-N	-1	0	250.279	1.953	40	0	in-vitro	CDABRM
Cc1c([C@H](C)NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])cnn1C	ZINC000036611018	356244825	/nfs/dbraw/zinc/24/48/25/356244825.db2.gz	DEWUHCPZILOYTQ-WCQGTBRESA-N	-1	0	291.351	1.573	40	0		CDABRM
COCCNC(=S)Nc1cc(C(=O)[O-])ccc1C	ZINC000013813038	356358844	/nfs/dbraw/zinc/35/88/44/356358844.db2.gz	PNDKVLFBOZYRND-UHFFFAOYSA-N	-1	0	268.338	1.626	40	0		CDABRM
Cc1ccc(S(=O)(=O)NCCCCC(=O)[O-])cc1	ZINC000016310351	356436809	/nfs/dbraw/zinc/43/68/09/356436809.db2.gz	PPHKYXZBCDHPBC-UHFFFAOYSA-N	-1	0	271.338	1.528	40	0		CDABRM
CC(C)SCCOC(=O)[C@@H]1[C@@H](C(=O)[O-])[C@@H]2CC[C@@H]1O2	ZINC000104161965	538452898	/nfs/dbraw/zinc/45/28/98/538452898.db2.gz	NVXLNAHUHMADBS-NAKRPEOUSA-N	-1	0	288.365	1.549	40	0		CDABRM
C[C@H](NC(=O)c1ccccc1OC(F)F)C(=O)[O-]	ZINC000000119260	299249467	/nfs/dbraw/zinc/24/94/67/299249467.db2.gz	MMSPXFKNZWHEHG-LURJTMIESA-N	-1	0	259.208	1.491	40	0		CDABRM
O=C(Cc1ccc(O)cc1)c1c(O)cc(O)cc1O	ZINC000028714138	356724932	/nfs/dbraw/zinc/72/49/32/356724932.db2.gz	XYMPPRJBUSAOQA-UHFFFAOYSA-N	-1	0	260.245	1.934	40	0	in-vitro	CDABRM
CCOC(=O)c1c[n-]c([N+](=O)[O-])c1Br	ZINC000031730140	356769367	/nfs/dbraw/zinc/76/93/67/356769367.db2.gz	ZQLIOZSCQVXPNC-BYPYZUCNSA-N	-1	0	263.047	1.091	40	0		CDABRM
COc1ccccc1C[C@H](C(=O)[O-])N1CCOCC1	ZINC000041380419	357033720	/nfs/dbraw/zinc/03/37/20/357033720.db2.gz	LVPOEWNHKPNWTG-GFCCVEGCSA-N	-1	0	265.309	1.023	40	0		CDABRM
CC(C)c1cc(C(N)=O)c(NC(=O)/C=C\C(=O)[O-])s1	ZINC000055051882	357327418	/nfs/dbraw/zinc/32/74/18/357327418.db2.gz	JBBPLZBADKHDCR-ARJAWSKDSA-N	-1	0	282.321	1.550	40	0		CDABRM
Cc1csc(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])n1	ZINC000004124259	358569795	/nfs/dbraw/zinc/56/97/95/358569795.db2.gz	XLLDXOLFVJYPTO-KATARQTJSA-N	-1	0	278.333	1.913	40	0		CDABRM
O=Cc1ccc(I)c(F)c1[O-]	ZINC000098210687	358816313	/nfs/dbraw/zinc/81/63/13/358816313.db2.gz	PLTIQGSIRIGRCP-UHFFFAOYSA-N	-1	0	266.009	1.948	40	0		CDABRM
Cc1ccc(F)cc1NC(=O)[C@H]1[C@@H](C(=O)[O-])[C@H]2C=C[C@@H]1O2	ZINC000225786653	359617186	/nfs/dbraw/zinc/61/71/86/359617186.db2.gz	PDOYOFIPRBTXAS-LOWDOPEQSA-N	-1	0	291.278	1.727	40	0		CDABRM
O=C([N-]S(=O)(=O)c1ccccc1)[C@@H]1CC[C@@H]2C[C@@H]2C1	ZINC000408504537	361504936	/nfs/dbraw/zinc/50/49/36/361504936.db2.gz	VFTKQLGXKCTWPJ-IJLUTSLNSA-N	-1	0	279.361	1.928	40	0		CDABRM
O=C([O-])c1c(Cl)ccn(-c2cccnc2)c1=O	ZINC000575423517	364844628	/nfs/dbraw/zinc/84/46/28/364844628.db2.gz	OKZRMVXZCDQGSW-UHFFFAOYSA-N	-1	0	250.641	1.584	40	0		CDABRM
Cc1cc([N-]S(=O)(=O)c2c[nH]c3ncccc23)n(C)n1	ZINC000066247885	374192731	/nfs/dbraw/zinc/19/27/31/374192731.db2.gz	BIWWMDXFVBMSMA-UHFFFAOYSA-N	-1	0	291.336	1.406	40	0		CDABRM
O=C([O-])[C@H]1CCCCN1c1cc(NC2CC2)ncn1	ZINC000079439115	304181174	/nfs/dbraw/zinc/18/11/74/304181174.db2.gz	QBNNHZXDFUUIKD-SNVBAGLBSA-N	-1	0	262.313	1.494	40	0		CDABRM
CS(=O)(=O)C1(C(=O)[O-])CCN(Cc2ccccc2)CC1	ZINC000217928634	375763139	/nfs/dbraw/zinc/76/31/39/375763139.db2.gz	SEOPHPLLFHFQJV-UHFFFAOYSA-N	-1	0	297.376	1.150	40	0		CDABRM
CCS(=O)(=O)[C@@H]1[C@@H](c2cccc(Cl)c2)[C@H]1C(=O)[O-]	ZINC000218374377	375820934	/nfs/dbraw/zinc/82/09/34/375820934.db2.gz	STHHUKPIHANDDI-HBNTYKKESA-N	-1	0	288.752	1.941	40	0		CDABRM
C[C@H](NCc1cnc(-c2cccs2)nc1)[P@@](=O)([O-])O	ZINC000218774075	375894834	/nfs/dbraw/zinc/89/48/34/375894834.db2.gz	BDBGFGSIJDHOPY-MRVPVSSYSA-N	-1	0	299.292	1.818	40	0		CDABRM
O=C([O-])c1c(=O)oc2c(c1-c1ccccc1)C=C[C@@H](O)C2	ZINC000005004388	304216719	/nfs/dbraw/zinc/21/67/19/304216719.db2.gz	SMVYPOAYYADMJM-SNVBAGLBSA-N	-1	0	284.267	1.935	40	0		CDABRM
Cc1nc(C2CC2)nc(N2CC[C@H](C(=O)[O-])C2)c1C	ZINC000096516983	390531728	/nfs/dbraw/zinc/53/17/28/390531728.db2.gz	ZJORLYCBNFEYHL-NSHDSACASA-N	-1	0	261.325	1.882	40	0		CDABRM
CCc1cc(=O)n(Cc2ccc(C(=O)[O-])cc2)c(C)n1	ZINC000096531058	390540704	/nfs/dbraw/zinc/54/07/04/390540704.db2.gz	ATFAPMCUVRXJER-UHFFFAOYSA-N	-1	0	272.304	1.861	40	0		CDABRM
CC(C)Cn1nc2c(cc1=O)C[C@H](C(=O)[O-])CC2	ZINC000096531425	390542048	/nfs/dbraw/zinc/54/20/48/390542048.db2.gz	RETQLVVWGJJPJS-SECBINFHSA-N	-1	0	250.298	1.089	40	0		CDABRM
O=C([O-])c1nnc2sc(-c3ccccc3F)nn21	ZINC000057332555	304285409	/nfs/dbraw/zinc/28/54/09/304285409.db2.gz	JGJYVSJFUKJBEU-UHFFFAOYSA-N	-1	0	264.241	1.690	40	0		CDABRM
CC[C@H]1CCCC[C@H]1OCC(=O)[N-]S(C)(=O)=O	ZINC000184274847	391511555	/nfs/dbraw/zinc/51/15/55/391511555.db2.gz	YBEDIPXRGDPMST-VHSXEESVSA-N	-1	0	263.359	1.048	40	0		CDABRM
COC(=O)c1ccc(C(=O)[O-])cc1Br	ZINC000060007960	292008590	/nfs/dbraw/zinc/00/85/90/292008590.db2.gz	ZJGOZXACDNCTSA-UHFFFAOYSA-N	-1	0	259.055	1.934	40	0		CDABRM
CSc1nccc(N2CCC(C(=O)[O-])CC2)n1	ZINC000072203492	134982634	/nfs/dbraw/zinc/98/26/34/134982634.db2.gz	WWCXWPITOCOLDC-UHFFFAOYSA-N	-1	0	253.327	1.500	40	0		CDABRM
CC(C)(C)c1cc(C(=O)[O-])nc(N2CCC(O)CC2)n1	ZINC000072220970	134983107	/nfs/dbraw/zinc/98/31/07/134983107.db2.gz	WFAKVEAGZUSWKC-UHFFFAOYSA-N	-1	0	279.340	1.433	40	0		CDABRM
Cc1cc(OCC(=O)[O-])ccc1NC(=O)C[C@H]1CCOC1	ZINC000362606821	159193158	/nfs/dbraw/zinc/19/31/58/159193158.db2.gz	SCWAGMUVNDGIAM-LLVKDONJSA-N	-1	0	293.319	1.824	40	0		CDABRM
CCc1ccccc1NC(=O)[C@H]1[C@H]2C=C[C@H](O2)[C@@H]1C(=O)[O-]	ZINC000004990535	170050803	/nfs/dbraw/zinc/05/08/03/170050803.db2.gz	CGXAEUHVOGPLNT-RFGFWPKPSA-N	-1	0	287.315	1.842	40	0		CDABRM
C[C@H](O)/C=C/[C@H]1OC(=O)C[C@H]1Nc1ccc(C(=O)[O-])cc1	ZINC000005141466	170070527	/nfs/dbraw/zinc/07/05/27/170070527.db2.gz	IZSWILLJDXDGDJ-GTKJMMEMSA-N	-1	0	291.303	1.418	40	0	biogenic,in-vitro	CDABRM
CC(=O)N[C@H](CSCC(=O)c1ccccc1)C(=O)[O-]	ZINC000005663299	170125091	/nfs/dbraw/zinc/12/50/91/170125091.db2.gz	GBXIYVFOFVBRGY-LLVKDONJSA-N	-1	0	281.333	1.192	40	0		CDABRM
O=C([O-])[C@@H]1[C@@H](C(=O)NCc2ccc(F)cc2)[C@H]2C=C[C@@H]1O2	ZINC000006332629	170192835	/nfs/dbraw/zinc/19/28/35/170192835.db2.gz	DYQAYSRMGPIASW-VOAKCMCISA-N	-1	0	291.278	1.096	40	0		CDABRM
O=C([O-])[C@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)NCc1ccncc1	ZINC000006699508	170228333	/nfs/dbraw/zinc/22/83/33/170228333.db2.gz	KOGIDHMJCULLSY-VOAKCMCISA-N	-1	0	274.320	1.445	40	0		CDABRM
O=C(Nc1nnn[n-]1)Nc1cccc2ccccc21	ZINC000008382063	170334073	/nfs/dbraw/zinc/33/40/73/170334073.db2.gz	GWPQDNPJAXUOCU-UHFFFAOYSA-N	-1	0	254.253	1.997	40	0		CDABRM
COc1cccc(-n2c(=O)c(C(=O)[O-])c[nH]c2=S)c1	ZINC000020156301	171038932	/nfs/dbraw/zinc/03/89/32/171038932.db2.gz	NKVABQSXBCOTMO-UHFFFAOYSA-N	-1	0	278.289	1.602	40	0		CDABRM
CC(C)(CC(=O)[O-])Cc1c[n+]([O-])c2ccccc2n1	ZINC000022121806	171353740	/nfs/dbraw/zinc/35/37/40/171353740.db2.gz	LPPAXDYADHQXKK-UHFFFAOYSA-N	-1	0	260.293	1.912	40	0		CDABRM
O=C([O-])Cc1cnc(-c2cccc(Cl)c2)[nH]c1=O	ZINC000022123986	171353896	/nfs/dbraw/zinc/35/38/96/171353896.db2.gz	BZAFYAKKBNLPKZ-UHFFFAOYSA-N	-1	0	264.668	1.717	40	0		CDABRM
COc1ccc(-c2ccc(=O)n([C@@H](C)C(=O)[O-])n2)cc1	ZINC000061966080	175659511	/nfs/dbraw/zinc/65/95/11/175659511.db2.gz	GNODGIUBBCVDFH-VIFPVBQESA-N	-1	0	274.276	1.565	40	0		CDABRM
O=C([O-])[C@@H]1C(=O)NC[C@@H]1c1cccc(Br)c1	ZINC000076728000	177071622	/nfs/dbraw/zinc/07/16/22/177071622.db2.gz	VTNOBLLZYPYDGE-BDAKNGLRSA-N	-1	0	284.109	1.363	40	0		CDABRM
Cc1cccc(N2C[C@]34C=C[C@H](O3)[C@H](C(=O)[O-])[C@@H]4C2=O)c1	ZINC000000488810	301999832	/nfs/dbraw/zinc/99/98/32/301999832.db2.gz	UWMQGBFNDREMIA-JFILPPLUSA-N	-1	0	285.299	1.366	40	0		CDABRM
C[S@@](=O)Cc1ccccc1NC(=O)c1ncccc1[O-]	ZINC000153776708	323211765	/nfs/dbraw/zinc/21/17/65/323211765.db2.gz	AFQWWJPMNGKRPM-FQEVSTJZSA-N	-1	0	290.344	1.918	40	0		CDABRM
CC(C)(C(=O)Nc1cccc(C(=O)[O-])c1)S(C)(=O)=O	ZINC000070127538	482448318	/nfs/dbraw/zinc/44/83/18/482448318.db2.gz	YVBNSVLKMWPJES-UHFFFAOYSA-N	-1	0	285.321	1.147	40	0		CDABRM
O=C([O-])[C@@H]1CCN(C(=O)[C@H]2CCOC2)c2ccccc21	ZINC000167132197	482885466	/nfs/dbraw/zinc/88/54/66/482885466.db2.gz	QOKGYYOYDGKUFZ-CMPLNLGQSA-N	-1	0	275.304	1.628	40	0		CDABRM
CCOC(=O)C(C(=O)OCC)=C([O-])c1ccccc1F	ZINC000062774997	520407224	/nfs/dbraw/zinc/40/72/24/520407224.db2.gz	AABPDBKPPIDRKP-UHFFFAOYSA-N	-1	0	282.267	1.751	40	0		CDABRM
Cc1ccc(C[C@H]2SC[C@@H](C(=O)[O-])NC2=O)cc1C	ZINC000062712080	524686567	/nfs/dbraw/zinc/68/65/67/524686567.db2.gz	IZZHGKZKQSZYFV-NWDGAFQWSA-N	-1	0	279.361	1.531	40	0		CDABRM
COC[C@](C)(CC(=O)[O-])NC(=O)c1ccc(C)c(F)c1	ZINC000237103340	601294425	/nfs/dbraw/zinc/29/44/25/601294425.db2.gz	XZARQZNRHPGIMK-AWEZNQCLSA-N	-1	0	283.299	1.744	40	0		CDABRM
CCCc1nnc(NC(=O)[C@@H]2CC[C@H]2C(=O)[O-])s1	ZINC000901911260	618367080	/nfs/dbraw/zinc/36/70/80/618367080.db2.gz	MUHUXQURMUGVGB-RNFRBKRXSA-N	-1	0	269.326	1.540	40	0		CDABRM
CCn1nc(C)cc1NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-]	ZINC000032610704	1165725282	/nfs/dbraw/zinc/72/52/82/1165725282.db2.gz	YCBJBBDMSBBZJZ-WDEREUQCSA-N	-1	0	277.324	1.817	40	0		CDABRM
C/C=C/[C@H](O)[C@@H]1OC(=O)C[C@@H]1Nc1ccc(C(=O)[O-])cc1	ZINC000225271300	844310587	/nfs/dbraw/zinc/31/05/87/844310587.db2.gz	BYCOQXVBFQHWPL-MZQKBDROSA-N	-1	0	291.303	1.418	40	0	biogenic,in-vitro	CDABRM
O=C([O-])CC[C@@H]1CCCN(C(=O)c2ccc(F)cn2)C1	ZINC000228564870	845744887	/nfs/dbraw/zinc/74/48/87/845744887.db2.gz	OYXOSVXGDKOIQA-JTQLQIEISA-N	-1	0	280.299	1.938	40	0		CDABRM
C=CCCCCN(C)C(=O)[C@@H]1C[C@H](O)C[C@@H]1C(=O)[O-]	ZINC000166629976	898780203	/nfs/dbraw/zinc/78/02/03/898780203.db2.gz	UGNWNCQNJPILDW-TUAOUCFPSA-N	-1	0	269.341	1.273	40	0		CDABRM
CNS(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)[O-])c1	ZINC000139560238	136392729	/nfs/dbraw/zinc/39/27/29/136392729.db2.gz	FZXXZYQJLHKHCF-UHFFFAOYSA-N	-1	0	298.364	1.283	40	0		CDABRM
COc1cc([C@H]2OC(=O)C[C@H]2C(=O)[O-])ccc1O	ZINC000085394136	179048713	/nfs/dbraw/zinc/04/87/13/179048713.db2.gz	GCHAZABUIJYWGJ-RDDDGLTNSA-N	-1	0	252.222	1.090	40	0		CDABRM
COC(=O)C1=C(C)N(c2ccccc2)C(=O)C[C@H]1C(=O)[O-]	ZINC000020568876	290918697	/nfs/dbraw/zinc/91/86/97/290918697.db2.gz	UOPDCRUFXOPUMN-LLVKDONJSA-N	-1	0	289.287	1.571	40	0		CDABRM
CC[C@@](SCC(N)=O)(C(=O)[O-])c1ccccc1	ZINC000001561561	355938817	/nfs/dbraw/zinc/93/88/17/355938817.db2.gz	FKMCATXJGCKTAM-LBPRGKRZSA-N	-1	0	253.323	1.595	40	0		CDABRM
COCCNC(=S)Nc1cc(C(=O)[O-])ccc1Cl	ZINC000408586831	356005862	/nfs/dbraw/zinc/00/58/62/356005862.db2.gz	RQDDWJSHPBCHFH-UHFFFAOYSA-N	-1	0	288.756	1.971	40	0		CDABRM
CC[C@@H](C)Nc1ccc(S(=O)(=O)NC)cc1C(=O)[O-]	ZINC000013276766	356341683	/nfs/dbraw/zinc/34/16/83/356341683.db2.gz	CBNDNKMFMKWVLM-MRVPVSSYSA-N	-1	0	286.353	1.503	40	0		CDABRM
O=C(Nc1cccs1)c1c([O-])[nH]c(=S)[nH]c1=O	ZINC000016957957	356449350	/nfs/dbraw/zinc/44/93/50/356449350.db2.gz	FMEGFTSXHMTNRB-UHFFFAOYSA-N	-1	0	269.307	1.452	40	0		CDABRM
O=C([O-])[C@H](NS(=O)(=O)C1CCCC1)c1ccccc1	ZINC000016477130	356440118	/nfs/dbraw/zinc/44/01/18/356440118.db2.gz	VGSFJHXXFOCJQG-GFCCVEGCSA-N	-1	0	283.349	1.674	40	0		CDABRM
Cc1ccc(OCc2nc(C(=O)[O-])cc(=O)[nH]2)cc1	ZINC000049470123	357217647	/nfs/dbraw/zinc/21/76/47/357217647.db2.gz	NMQROOXEZPZDHP-UHFFFAOYSA-N	-1	0	260.249	1.356	40	0		CDABRM
Cc1cc(Cl)ccc1C[C@H](C(=O)[O-])[NH+]1CCOCC1	ZINC000057592752	357361473	/nfs/dbraw/zinc/36/14/73/357361473.db2.gz	XPKYOBCSNXVPRS-CYBMUJFWSA-N	-1	0	283.755	1.976	40	0		CDABRM
O=c1[nH]n(C2=CC=C(Cl)NN2)c(=O)c2ccccc12	ZINC000096305849	358732473	/nfs/dbraw/zinc/73/24/73/358732473.db2.gz	UDAVIEMOANTWFF-UHFFFAOYSA-N	-1	0	276.683	1.089	40	0		CDABRM
Cc1nc(Cc2cccc(F)c2)[nH]c(=O)c1CC(=O)[O-]	ZINC000041084588	358838482	/nfs/dbraw/zinc/83/84/82/358838482.db2.gz	IFLQIKODUPTLJE-UHFFFAOYSA-N	-1	0	276.267	1.435	40	0		CDABRM
CC(C)c1oc(NC(=O)c2ccccc2C(=O)[O-])nc1O	ZINC000227173818	360786597	/nfs/dbraw/zinc/78/65/97/360786597.db2.gz	QWGKKUKQXOTCKX-JTQLQIEISA-N	-1	0	290.275	1.052	40	0		CDABRM
O=C([O-])COc1c(Cl)cc(Cl)cc1CO	ZINC000409122517	363910355	/nfs/dbraw/zinc/91/03/55/363910355.db2.gz	ZBDHMPLBHAQZIS-UHFFFAOYSA-N	-1	0	251.065	1.949	40	0		CDABRM
CCN1C(=O)N/C(=C/c2cc(Cl)c(O)c(OC)c2)C1=O	ZINC000409241795	363987974	/nfs/dbraw/zinc/98/79/74/363987974.db2.gz	UXLDUFPRWIQNNR-WEVVVXLNSA-N	-1	0	296.710	1.967	40	0		CDABRM
O=C([O-])Cn1nc2cccc(Br)c2n1	ZINC000218252118	365117528	/nfs/dbraw/zinc/11/75/28/365117528.db2.gz	BYWCNOFZIXUDMU-UHFFFAOYSA-N	-1	0	256.059	1.278	40	0		CDABRM
O=C([O-])[C@@H]1Cc2[nH]cnc2[C@@H](c2cccc(Cl)c2)N1	ZINC000005818922	304151327	/nfs/dbraw/zinc/15/13/27/304151327.db2.gz	BIDMUIBVIOSXBB-WDEREUQCSA-N	-1	0	277.711	1.751	40	0		CDABRM
O=C([O-])CNS(=O)(=O)c1cccc2cccc(Cl)c21	ZINC000026481371	370640143	/nfs/dbraw/zinc/64/01/43/370640143.db2.gz	KITYNNWTDPTBOA-UHFFFAOYSA-N	-1	0	299.735	1.856	40	0		CDABRM
COc1ccc(-c2nnc(CCC(=O)[O-])o2)cc1OC	ZINC000019780320	373956551	/nfs/dbraw/zinc/95/65/51/373956551.db2.gz	MSVSOTIKURPZRJ-UHFFFAOYSA-N	-1	0	278.264	1.771	40	0		CDABRM
Nc1c(I)ccc(F)c1C(=O)[O-]	ZINC000575718323	374009249	/nfs/dbraw/zinc/00/92/49/374009249.db2.gz	IXOPOEYUAMHNFW-UHFFFAOYSA-N	-1	0	281.024	1.711	40	0		CDABRM
O=C([O-])CN1N=C(c2ccc3c(c2)CCCC3)[C@@H]2C[C@@H]2C1=O	ZINC000217834588	375746887	/nfs/dbraw/zinc/74/68/87/375746887.db2.gz	WNGDAHLDSPHDDO-KGLIPLIRSA-N	-1	0	298.342	1.832	40	0		CDABRM
Cn1c(SCC(=O)[O-])nnc1-c1cc(F)cc(F)c1	ZINC000002523754	377880752	/nfs/dbraw/zinc/88/07/52/377880752.db2.gz	OEFRKAYEYVJTHA-UHFFFAOYSA-N	-1	0	285.275	1.937	40	0		CDABRM
O=C([O-])c1ccccc1C(=O)O[C@@H]1C[C@H]2C[C@@H]1[C@H]1OC[C@@H]12	ZINC000104068100	304267496	/nfs/dbraw/zinc/26/74/96/304267496.db2.gz	PDOJCNQWPHFSOU-PBGAJXSPSA-N	-1	0	288.299	1.965	40	0		CDABRM
Cc1cccc(-n2[n-]c(=O)c(N)c(Cl)c2=O)c1	ZINC000242547816	256698717	/nfs/dbraw/zinc/69/87/17/256698717.db2.gz	KTSPXSZUYCKABD-UHFFFAOYSA-N	-1	0	251.673	1.482	40	0		CDABRM
CC(C)C[C@]1(C)OC[C@H]([C@H]2OC(=O)C(O)=C2[O-])O1	ZINC000103761776	256801083	/nfs/dbraw/zinc/80/10/83/256801083.db2.gz	FCMBQTJMQJMBOC-NYRNMGCKSA-N	-1	0	258.270	1.417	40	0		CDABRM
CCCCCn1cc(N2C[C@@H](C(=O)[O-])CC2=O)cn1	ZINC000096515676	390531584	/nfs/dbraw/zinc/53/15/84/390531584.db2.gz	YKCNRSPSLPXAEX-JTQLQIEISA-N	-1	0	265.313	1.511	40	0		CDABRM
O=C([O-])c1ccn(-c2nc(C3CC3)nc3c2CCC3)n1	ZINC000096517414	390532674	/nfs/dbraw/zinc/53/26/74/390532674.db2.gz	PDTBDTBYILOFSB-UHFFFAOYSA-N	-1	0	270.292	1.727	40	0		CDABRM
CCOC(=O)C1=C(C)c2ccccc2O[C@@H]1C(=O)[O-]	ZINC000004962728	170045588	/nfs/dbraw/zinc/04/55/88/170045588.db2.gz	ZJBKCVYKOWNMKK-LBPRGKRZSA-N	-1	0	262.261	1.869	40	0		CDABRM
O=C([O-])CSc1n[nH]c(-c2ccc(O)cc2)n1	ZINC000006512760	170208502	/nfs/dbraw/zinc/20/85/02/170208502.db2.gz	POWPHPSSZCRRQZ-UHFFFAOYSA-N	-1	0	251.267	1.354	40	0		CDABRM
O=C([O-])[C@@H]1[C@H](C(=O)NCc2ccncc2)[C@@H]2CC[C@H]1C2	ZINC000006699507	170228347	/nfs/dbraw/zinc/22/83/47/170228347.db2.gz	KOGIDHMJCULLSY-XQHKEYJVSA-N	-1	0	274.320	1.445	40	0		CDABRM
O=C([O-])[C@@H](Cc1ccccc1)Nc1ncnc2n[nH]cc21	ZINC000008615691	170342984	/nfs/dbraw/zinc/34/29/84/170342984.db2.gz	NOIOVKUDIPHHJR-LLVKDONJSA-N	-1	0	283.291	1.461	40	0		CDABRM
O=C([O-])Cc1c[nH]c(=S)n(Cc2ccccc2)c1=O	ZINC000020156322	171038935	/nfs/dbraw/zinc/03/89/35/171038935.db2.gz	NROVIWRMFWUPFE-UHFFFAOYSA-N	-1	0	276.317	1.581	40	0		CDABRM
CCOc1ccc(-c2ncc(C(=O)[O-])c(=O)[nH]2)cc1	ZINC000022124093	171353831	/nfs/dbraw/zinc/35/38/31/171353831.db2.gz	ZYEBTETWSRRJBL-UHFFFAOYSA-N	-1	0	260.249	1.534	40	0		CDABRM
O=C([O-])COC[C@@H]1CCCN1C(=O)OCc1ccccc1	ZINC000028110892	171547908	/nfs/dbraw/zinc/54/79/08/171547908.db2.gz	NMKWJDZNWOYIIT-ZDUSSCGKSA-N	-1	0	293.319	1.889	40	0		CDABRM
O=C([O-])[C@@H](c1c(F)cccc1F)N1CCOCC1	ZINC000037359221	173149412	/nfs/dbraw/zinc/14/94/12/173149412.db2.gz	LGRXKFMJDQODLT-LLVKDONJSA-N	-1	0	257.236	1.423	40	0		CDABRM
O=C([O-])CCCNC(=O)/C=C/c1cccc(F)c1	ZINC000037409929	173185935	/nfs/dbraw/zinc/18/59/35/173185935.db2.gz	LUKUEIFHDUDZTR-VOTSOKGWSA-N	-1	0	251.257	1.820	40	0		CDABRM
CC(C)(CC(=O)[O-])CC(=O)Nc1cccc(C(N)=O)c1	ZINC000040481044	174285208	/nfs/dbraw/zinc/28/52/08/174285208.db2.gz	CSJSOZJGLRTDCZ-UHFFFAOYSA-N	-1	0	278.308	1.615	40	0		CDABRM
COC(=O)c1nc(-c2ccc(OC)c(F)c2)[nH]c(=O)c1[O-]	ZINC000067341866	175773528	/nfs/dbraw/zinc/77/35/28/175773528.db2.gz	HWNHYODWSJFKIS-UHFFFAOYSA-N	-1	0	294.238	1.077	40	0		CDABRM
O=C([O-])C1=CCCN(S(=O)(=O)c2ccc(F)cc2)C1	ZINC000072226951	176343471	/nfs/dbraw/zinc/34/34/71/176343471.db2.gz	PIFLLAIVTWVPGW-UHFFFAOYSA-N	-1	0	285.296	1.231	40	0		CDABRM
CC(C)(C)OC(=O)N1CCC[C@@]2(C[C@@H](C(=O)[O-])CO2)C1	ZINC000091303334	278393677	/nfs/dbraw/zinc/39/36/77/278393677.db2.gz	PDXXKWSPNUKXNX-QMTHXVAHSA-N	-1	0	285.340	1.877	40	0		CDABRM
CO[C@H]1CCCOC12CCN(C(=O)CCC(=O)[O-])CC2	ZINC000257207663	294522743	/nfs/dbraw/zinc/52/27/43/294522743.db2.gz	BIQVOXOFDBIHGA-NSHDSACASA-N	-1	0	285.340	1.038	40	0		CDABRM
COc1ccc(OCc2ncc(C(=O)[O-])cn2)cc1	ZINC000049468356	295186018	/nfs/dbraw/zinc/18/60/18/295186018.db2.gz	WOXIZUMWYWTKBZ-UHFFFAOYSA-N	-1	0	260.249	1.762	40	0		CDABRM
O=S(=O)([O-])c1cc2nonc2c2ccccc21	ZINC000001578493	304768578	/nfs/dbraw/zinc/76/85/78/304768578.db2.gz	LHRIETBEAFSGHF-UHFFFAOYSA-N	-1	0	250.235	1.623	40	0		CDABRM
Nc1nn(-c2ccccc2Br)nc1C(=O)[O-]	ZINC000089263439	303506572	/nfs/dbraw/zinc/50/65/72/303506572.db2.gz	JHOJDWKYNKFBGU-UHFFFAOYSA-N	-1	0	283.085	1.310	40	0		CDABRM
O=C([O-])c1cc(NC(=O)[C@@H]2CCCCO2)ccc1O	ZINC000050958934	526349795	/nfs/dbraw/zinc/34/97/95/526349795.db2.gz	ZSVGYSXSINDGTG-NSHDSACASA-N	-1	0	265.265	1.598	40	0		CDABRM
CCc1ccc([C@H]2[C@H](C(=O)[O-])[C@@H]2S(=O)(=O)CC)cc1	ZINC000218396888	536194944	/nfs/dbraw/zinc/19/49/44/536194944.db2.gz	HJURKDHJIUTJKE-RWMBFGLXSA-N	-1	0	282.361	1.850	40	0		CDABRM
Cc1nc(=NC(=O)c2ccnc(C3CC3)n2)s[n-]1	ZINC000608192738	345635261	/nfs/dbraw/zinc/63/52/61/345635261.db2.gz	XSFJTPANQWVJHE-UHFFFAOYSA-N	-1	0	261.310	1.188	40	0		CDABRM
COc1cc([C@H]2OC(=O)C[C@@H]2C(=O)[O-])ccc1O	ZINC000085394145	179048675	/nfs/dbraw/zinc/04/86/75/179048675.db2.gz	GCHAZABUIJYWGJ-WRWORJQWSA-N	-1	0	252.222	1.090	40	0		CDABRM
CC(C)(C)OC(=O)[C@@H](N)c1ccc(C(=O)[O-])cc1	ZINC000085479285	179080459	/nfs/dbraw/zinc/08/04/59/179080459.db2.gz	WWZIGCMXAROJHA-JTQLQIEISA-N	-1	0	251.282	1.726	40	0		CDABRM
CCc1nc(SC(=Cc2cccnc2)C(=O)[O-])n[nH]1	ZINC000007342483	348733598	/nfs/dbraw/zinc/73/35/98/348733598.db2.gz	HMAVXZSRBFSFRI-TWGQIWQCSA-N	-1	0	276.321	1.980	40	0		CDABRM
CC(C)(C)OC(=O)Nc1ccc(-n2nn[n-]c2=O)cc1	ZINC000584884006	349332012	/nfs/dbraw/zinc/33/20/12/349332012.db2.gz	LZCAXQKTZDXEIW-UHFFFAOYSA-N	-1	0	277.284	1.715	40	0		CDABRM
COc1ccc(C(C)=O)cc1NC(=O)C=CC(=O)[O-]	ZINC000034772760	355899982	/nfs/dbraw/zinc/89/99/82/355899982.db2.gz	IEVQOVQHAMFAHA-WAYWQWQTSA-N	-1	0	263.249	1.477	40	0		CDABRM
CC(C)NC(=S)Nc1ccc(OCC(=O)[O-])cc1	ZINC000408551690	355986704	/nfs/dbraw/zinc/98/67/04/355986704.db2.gz	PASUCYUCGHJRFG-UHFFFAOYSA-N	-1	0	268.338	1.845	40	0		CDABRM
CCOc1ccc2[nH]c3c(cnn(CC(=O)[O-])c3=O)c2c1	ZINC000408712473	356097103	/nfs/dbraw/zinc/09/71/03/356097103.db2.gz	ONAHIFVICXMJLO-UHFFFAOYSA-N	-1	0	287.275	1.361	40	0		CDABRM
O=Cc1cnc([N-]S(=O)(=O)c2ccccc2)nc1	ZINC000014608606	356392744	/nfs/dbraw/zinc/39/27/44/356392744.db2.gz	OCTVVGLDWYABAC-UHFFFAOYSA-N	-1	0	263.278	1.090	40	0		CDABRM
CO[N-]C(=O)C(=O)Nc1ccc(F)cc1C(F)(F)F	ZINC000134766075	356393105	/nfs/dbraw/zinc/39/31/05/356393105.db2.gz	DMSVEESAPJZIJT-UHFFFAOYSA-N	-1	0	280.177	1.461	40	0		CDABRM
O=C([O-])[C@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)NCc1ccco1	ZINC000004035256	358560677	/nfs/dbraw/zinc/56/06/77/358560677.db2.gz	AAGKECVCOPVRLG-QCZKYFFMSA-N	-1	0	263.293	1.643	40	0		CDABRM
O=C([O-])[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)NCc1cccs1	ZINC000004180014	358574125	/nfs/dbraw/zinc/57/41/25/358574125.db2.gz	FZABPMAKCGNVOU-YTWAJWBKSA-N	-1	0	281.333	1.243	40	0		CDABRM
CCCCCNC(=O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)[O-]	ZINC000006042311	358750173	/nfs/dbraw/zinc/75/01/73/358750173.db2.gz	KDOOMMVINLZJMO-RHYQMDGZSA-N	-1	0	251.326	1.816	40	0		CDABRM
CC(C)(C)OC(=O)N[C@@H](C(=O)[O-])[C@H]1CC[C@H](O)CC1	ZINC000100034460	358819110	/nfs/dbraw/zinc/81/91/10/358819110.db2.gz	CFJDDDVVNKUBCL-KXUCPTDWSA-N	-1	0	273.329	1.515	40	0		CDABRM
CSc1nc2n(n1)[C@@H](c1ccncc1)CC(C(=O)[O-])=N2	ZINC000102335765	358875921	/nfs/dbraw/zinc/87/59/21/358875921.db2.gz	AXAQPDGXYLYJAA-SECBINFHSA-N	-1	0	289.320	1.378	40	0		CDABRM
CCOC(=O)c1cc(N)ccc1N1CCC(C(=O)[O-])CC1	ZINC000216932030	358970422	/nfs/dbraw/zinc/97/04/22/358970422.db2.gz	LUTYTEBAICAXSI-UHFFFAOYSA-N	-1	0	292.335	1.747	40	0		CDABRM
CCNc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)[O-]	ZINC000217705705	359021674	/nfs/dbraw/zinc/02/16/74/359021674.db2.gz	UAFNMFSJANZGEP-UHFFFAOYSA-N	-1	0	284.337	1.257	40	0		CDABRM
CCCNc1ccc(C(=O)[O-])cc1S(=O)(=O)NCC	ZINC000217408300	359000506	/nfs/dbraw/zinc/00/05/06/359000506.db2.gz	YKDMFNUYTCECJJ-UHFFFAOYSA-N	-1	0	286.353	1.505	40	0		CDABRM
O=C([O-])[C@H]1[C@@H](C(=O)NCc2ccccc2F)[C@H]2C=C[C@@H]1O2	ZINC000222430925	359341860	/nfs/dbraw/zinc/34/18/60/359341860.db2.gz	TZUSAKDHNHPRTD-MROQNXINSA-N	-1	0	291.278	1.096	40	0		CDABRM
COc1ccc(Cc2ncc(C(=O)[O-])c(=O)[nH]2)cc1C	ZINC000225009526	359543910	/nfs/dbraw/zinc/54/39/10/359543910.db2.gz	OGEUPIAQPVGHIH-UHFFFAOYSA-N	-1	0	274.276	1.376	40	0		CDABRM
COc1cc([C@H]2NC[C@H](C(=O)[O-])S2)cc(OC)c1OC	ZINC000408977284	363775327	/nfs/dbraw/zinc/77/53/27/363775327.db2.gz	HZBSKWWUKIUVQS-PWSUYJOCSA-N	-1	0	299.348	1.501	40	0		CDABRM
O=C([O-])c1cccc(NC=C2SC(=O)NC2=O)c1	ZINC000618254598	364035461	/nfs/dbraw/zinc/03/54/61/364035461.db2.gz	FIWKEEUIJJUWOS-YVMONPNESA-N	-1	0	264.262	1.621	40	0		CDABRM
COC(=O)c1c(NC(=O)/C=C\C(=O)[O-])sc2c1CCC2	ZINC000101127930	364277718	/nfs/dbraw/zinc/27/77/18/364277718.db2.gz	YBYMBGPWJJKZNZ-WAYWQWQTSA-N	-1	0	295.316	1.603	40	0		CDABRM
CCN(CC)c1cc(N2CCC(C(=O)[O-])CC2)ncn1	ZINC000079440073	374405571	/nfs/dbraw/zinc/40/55/71/374405571.db2.gz	NZUISHFFXPQTBN-UHFFFAOYSA-N	-1	0	278.356	1.624	40	0		CDABRM
CCN(CC)c1cc(N2CCC[C@H](C(=O)[O-])C2)ncn1	ZINC000079440016	374405735	/nfs/dbraw/zinc/40/57/35/374405735.db2.gz	GFBBADRWGIVTER-NSHDSACASA-N	-1	0	278.356	1.624	40	0		CDABRM
Nc1cc([O-])nn1S(=O)(=O)c1cccc(Cl)c1	ZINC000225536701	375160913	/nfs/dbraw/zinc/16/09/13/375160913.db2.gz	CADVWPKSCBSUQW-UHFFFAOYSA-N	-1	0	273.701	1.061	40	0		CDABRM
O=C([O-])CC[C@H]1NC(=S)N(CCc2ccccc2)C1=O	ZINC000225783388	375204124	/nfs/dbraw/zinc/20/41/24/375204124.db2.gz	MMQTXTGMWJZQQC-LLVKDONJSA-N	-1	0	292.360	1.179	40	0		CDABRM
COCCCNC(=O)C[C@H](CC(=O)[O-])c1cccs1	ZINC000057595450	375536566	/nfs/dbraw/zinc/53/65/66/375536566.db2.gz	SEMPYVBZCDGNTP-SNVBAGLBSA-N	-1	0	285.365	1.849	40	0		CDABRM
C[C@@H](C(=O)[O-])n1cc(NC2=NCCCCC2)cn1	ZINC000217814044	375742658	/nfs/dbraw/zinc/74/26/58/375742658.db2.gz	YROWIRFYINSEOH-VIFPVBQESA-N	-1	0	250.302	1.913	40	0		CDABRM
O=Cc1ccc2c(c1)C[C@H](CSCC(=O)[O-])O2	ZINC000218744103	375831055	/nfs/dbraw/zinc/83/10/55/375831055.db2.gz	KOBWEVCTFBDNCV-SNVBAGLBSA-N	-1	0	252.291	1.620	40	0		CDABRM
O=C([O-])c1cnc2c(cnn2-c2ccccc2)c1O	ZINC000003852483	304218507	/nfs/dbraw/zinc/21/85/07/304218507.db2.gz	RNLAALWAIROYDG-UHFFFAOYSA-N	-1	0	255.233	1.412	40	0		CDABRM
Cc1ccccc1OCc1nnc(SCC(=O)[O-])n1C	ZINC000000420485	169636140	/nfs/dbraw/zinc/63/61/40/169636140.db2.gz	IBPBCAWZRNPHJH-UHFFFAOYSA-N	-1	0	293.348	1.879	40	0		CDABRM
COc1ccc(CN2C[C@@H](C(=O)[O-])CCC2=O)c(OC)c1	ZINC000109555131	256700373	/nfs/dbraw/zinc/70/03/73/256700373.db2.gz	BIGRFHXGKLSPHR-NSHDSACASA-N	-1	0	293.319	1.527	40	0		CDABRM
CC(C)c1[nH]c(=O)c(C(=O)[O-])cc1Br	ZINC000096517587	390532796	/nfs/dbraw/zinc/53/27/96/390532796.db2.gz	GZIVZJVZAFXFRV-UHFFFAOYSA-N	-1	0	260.087	1.959	40	0		CDABRM
O=C([O-])[C@@H]1CCN(c2nccn3nc(C4CC4)cc23)C1	ZINC000096516394	390533769	/nfs/dbraw/zinc/53/37/69/390533769.db2.gz	VCLBPWUDNYSNNE-SNVBAGLBSA-N	-1	0	272.308	1.518	40	0		CDABRM
CSc1ccc([C@H]2N[C@@H](C(=O)[O-])Cc3[nH]cnc32)cc1	ZINC000070503694	390608007	/nfs/dbraw/zinc/60/80/07/390608007.db2.gz	TXRSYOLHAWNWCC-VXGBXAGGSA-N	-1	0	289.360	1.820	40	0		CDABRM
CC(C)Oc1nn(C)c(C(=O)[O-])c1Br	ZINC000218293048	130767794	/nfs/dbraw/zinc/76/77/94/130767794.db2.gz	TVOWSCLIFXIQPQ-UHFFFAOYSA-N	-1	0	263.091	1.668	40	0		CDABRM
Cc1noc([C@@H](C)NC(=O)c2cccnc2)c1C(=O)[O-]	ZINC000096297029	393174893	/nfs/dbraw/zinc/17/48/93/393174893.db2.gz	BOWLGTXYRNZJBK-MRVPVSSYSA-N	-1	0	275.264	1.567	40	0	biogenic,in-vitro	CDABRM
CCOc1ccc([C@H]2OC(=O)C[C@H]2C(=O)[O-])cc1	ZINC000085394633	286570071	/nfs/dbraw/zinc/57/00/71/286570071.db2.gz	VOUCGEWFTYYPNM-ZYHUDNBSSA-N	-1	0	250.250	1.774	40	0		CDABRM
Cc1ccc(C)c(NC(=O)[C@@H]2[C@H]3C=C[C@H](O3)[C@@H]2C(=O)[O-])c1	ZINC000005042613	170059641	/nfs/dbraw/zinc/05/96/41/170059641.db2.gz	VQWFIKFFDQRBPN-RQJABVFESA-N	-1	0	287.315	1.896	40	0		CDABRM
O=C([O-])[C@H]1[C@@H]2C=C[C@@H](O2)[C@H]1C(=O)Nc1ccc2c(c1)CCC2	ZINC000006741576	170237204	/nfs/dbraw/zinc/23/72/04/170237204.db2.gz	MDZGXPLSYJJQDG-BARDWOONSA-N	-1	0	299.326	1.768	40	0		CDABRM
Cc1ccc(N2C(=O)C[C@@H](SCC(=O)[O-])C2=O)c(C)c1	ZINC000009061787	170362638	/nfs/dbraw/zinc/36/26/38/170362638.db2.gz	BNICDGOKVORKFU-LLVKDONJSA-N	-1	0	293.344	1.753	40	0		CDABRM
O=C([O-])Cn1nc(-c2ccncc2)nc1-c1ccncc1	ZINC000040174381	174200270	/nfs/dbraw/zinc/20/02/70/174200270.db2.gz	MIOPRDADDPEVAY-UHFFFAOYSA-N	-1	0	281.275	1.487	40	0		CDABRM
CCC(=O)Nc1ccc(N2C[C@@H](C(=O)[O-])CC2=O)cc1	ZINC000045953783	175389190	/nfs/dbraw/zinc/38/91/90/175389190.db2.gz	LINVJPAQOMNRHU-VIFPVBQESA-N	-1	0	276.292	1.473	40	0		CDABRM
Cc1cccc(CC(=O)N2CCC[C@H](C(=O)[O-])C2)c1	ZINC000049475263	175482332	/nfs/dbraw/zinc/48/23/32/175482332.db2.gz	JBMYXCLSTWGEMQ-ZDUSSCGKSA-N	-1	0	261.321	1.861	40	0		CDABRM
O=C([O-])C1=CCCN(C(=O)/C=C/c2ccccc2)C1	ZINC000072226965	176343223	/nfs/dbraw/zinc/34/32/23/176343223.db2.gz	QOSPGOWJEAETTC-CMDGGOBGSA-N	-1	0	257.289	1.943	40	0		CDABRM
O=C([O-])CCc1nc(CCNc2cccc(F)c2)no1	ZINC000078401002	177337440	/nfs/dbraw/zinc/33/74/40/177337440.db2.gz	LPMFVOHBSXKUAZ-UHFFFAOYSA-N	-1	0	279.271	1.881	40	0		CDABRM
C[C@H](CC(=O)[O-])n1ccc(C(=O)OC(C)(C)C)n1	ZINC000408716261	298314828	/nfs/dbraw/zinc/31/48/28/298314828.db2.gz	KQSRDTLSIICYFP-MRVPVSSYSA-N	-1	0	254.286	1.874	40	0		CDABRM
Nc1ccc([NH+]2CCC(C(=O)[O-])CC2)c(C(=O)[O-])c1	ZINC000216931960	303495910	/nfs/dbraw/zinc/49/59/10/303495910.db2.gz	DSSSGZZNHFICBL-UHFFFAOYSA-N	-1	0	264.281	1.268	40	0		CDABRM
CO[C@@H]1CC[C@@H](NC(=O)c2cccc(C(=O)[O-])c2)C1	ZINC000234844868	523701861	/nfs/dbraw/zinc/70/18/61/523701861.db2.gz	IBJKVTHUSXLDOU-VXGBXAGGSA-N	-1	0	263.293	1.682	40	0		CDABRM
NNC(=O)c1c[n-]c2cc(Cl)cc(Cl)c2c1=O	ZINC000068135080	1171515303	/nfs/dbraw/zinc/51/53/03/1171515303.db2.gz	MUHJUXOMAUUAEG-UHFFFAOYSA-N	-1	0	272.091	1.438	40	0		CDABRM
CSCC[C@H](C(=O)[O-])n1c[n+]([O-])c(C(C)=O)c1C	ZINC000095532071	185004728	/nfs/dbraw/zinc/00/47/28/185004728.db2.gz	RMPVOWMHLZLHCQ-SECBINFHSA-N	-1	0	272.326	1.011	40	0		CDABRM
CCn1nc(-c2n[n-]c(=N)s2)cc1C(F)(F)F	ZINC000408717514	365729523	/nfs/dbraw/zinc/72/95/23/365729523.db2.gz	DVTALVUMLGHOPF-UHFFFAOYSA-N	-1	0	263.248	1.853	40	0		CDABRM
O=C([O-])C1=NN(c2nc3ccccc3s2)C(=O)CC1	ZINC000019946580	304036515	/nfs/dbraw/zinc/03/65/15/304036515.db2.gz	XHUFOGLAIOVOAA-UHFFFAOYSA-N	-1	0	275.289	1.864	40	0		CDABRM
O=C([O-])c1ccccc1C(=O)N1CCC[C@@H](CO)C1	ZINC000036227113	358024219	/nfs/dbraw/zinc/02/42/19/358024219.db2.gz	WENMDSNRFUYDEI-SNVBAGLBSA-N	-1	0	263.293	1.229	40	0		CDABRM
Cc1nn(-c2ccc(Cl)nc2Cl)nc1C(=O)[O-]	ZINC000089261782	358400054	/nfs/dbraw/zinc/40/00/54/358400054.db2.gz	DJUMTPHLCGYDMD-UHFFFAOYSA-N	-1	0	273.079	1.976	40	0		CDABRM
Cc1ccc(N2C(=O)N[C@@H](CCC(=O)[O-])C2=O)cc1	ZINC000036818746	358602547	/nfs/dbraw/zinc/60/25/47/358602547.db2.gz	XMMPOHZFPMCHHX-JTQLQIEISA-N	-1	0	262.265	1.285	40	0		CDABRM
O=C([O-])[C@@H]1Cc2[nH]cnc2[C@H](c2cc(F)ccc2F)N1	ZINC000096300041	358731256	/nfs/dbraw/zinc/73/12/56/358731256.db2.gz	ILPJNTPEYKASMG-QWRGUYRKSA-N	-1	0	279.246	1.376	40	0		CDABRM
O=C([O-])[C@@H]1Cc2[nH]cnc2[C@@H](c2ccc(F)c(F)c2)N1	ZINC000096300044	358731373	/nfs/dbraw/zinc/73/13/73/358731373.db2.gz	YVEUDQPFQNWVPS-WDEREUQCSA-N	-1	0	279.246	1.376	40	0		CDABRM
Cc1cc(CC(=O)N2CCCCC2)[n-]c(=N[N+](=O)[O-])n1	ZINC000104198440	358951152	/nfs/dbraw/zinc/95/11/52/358951152.db2.gz	MFWSDXQMQOJUNJ-DHZHZOJOSA-N	-1	0	279.300	1.731	40	0		CDABRM
C[C@@H](Nc1ncc(C(=O)[O-])c(=O)[nH]1)c1ccccc1	ZINC000217674621	359018971	/nfs/dbraw/zinc/01/89/71/359018971.db2.gz	JNYJGUZIPLKXST-MRVPVSSYSA-N	-1	0	259.265	1.641	40	0		CDABRM
CC(=O)c1[nH]c(=O)n(-c2cccc(C(=O)[O-])c2)c1C	ZINC000219777827	359124113	/nfs/dbraw/zinc/12/41/13/359124113.db2.gz	DRPCEAGNZIRWTP-UHFFFAOYSA-N	-1	0	260.249	1.375	40	0		CDABRM
O=C([O-])Cc1c[nH]c2ncc(Br)cc12	ZINC000035570067	304088081	/nfs/dbraw/zinc/08/80/81/304088081.db2.gz	YFHPUFLHVMUSKN-UHFFFAOYSA-N	-1	0	255.071	1.953	40	0		CDABRM
Cc1scc(C(=O)[N-]S(=O)(=O)[C@H]2CCOC2)c1C	ZINC000408271531	360290570	/nfs/dbraw/zinc/29/05/70/360290570.db2.gz	XPNGCMYALHUAGY-VIFPVBQESA-N	-1	0	289.378	1.213	40	0		CDABRM
C[C@H](CNC(=O)C1(c2ccc(F)cc2)CC1)C(=O)[O-]	ZINC000054309853	360452330	/nfs/dbraw/zinc/45/23/30/360452330.db2.gz	TXEFABKYFIVNPF-SECBINFHSA-N	-1	0	265.284	1.694	40	0		CDABRM
COC[C@]1(C(=O)[O-])[C@@H](c2ccc(C)cc2)[C@@H]1S(C)(=O)=O	ZINC000218372437	366685022	/nfs/dbraw/zinc/68/50/22/366685022.db2.gz	JMQCFGHSOQXXMD-OBJOEFQTSA-N	-1	0	298.360	1.223	40	0		CDABRM
COc1cc(C[C@H]2SC(=O)[N-]C2=O)ccc1O	ZINC000148984633	364575587	/nfs/dbraw/zinc/57/55/87/364575587.db2.gz	UYCQOLAPUYKINQ-SECBINFHSA-N	-1	0	253.279	1.295	40	0		CDABRM
CC[C@H](C)[C@H](NC(=O)c1cccc(Cl)n1)C(=O)[O-]	ZINC000051067720	365000756	/nfs/dbraw/zinc/00/07/56/365000756.db2.gz	KWOPXLWLTHJUMJ-XVKPBYJWSA-N	-1	0	270.716	1.964	40	0		CDABRM
O=C([O-])c1cncnc1[C@H]1CN(Cc2ccccc2)CCO1	ZINC000306131205	367315191	/nfs/dbraw/zinc/31/51/91/367315191.db2.gz	JYOQCODVRRQKBB-CQSZACIVSA-N	-1	0	299.330	1.748	40	0		CDABRM
O=C([O-])[C@@H]1COC2(CCCCC2)N1C(=O)c1ccncc1	ZINC000071979767	304134122	/nfs/dbraw/zinc/13/41/22/304134122.db2.gz	WYQYUNMPMCDEPL-LBPRGKRZSA-N	-1	0	290.319	1.668	40	0		CDABRM
O=C([O-])c1ccc(OCCNC(=O)[C@@H]2CCCCO2)cc1	ZINC000538583835	368319784	/nfs/dbraw/zinc/31/97/84/368319784.db2.gz	MAPRIZKMHYYNGP-ZDUSSCGKSA-N	-1	0	293.319	1.449	40	0		CDABRM
O=C([O-])[C@@H]1[C@H]2C=C[C@]3(CN(c4ccccc4F)C(=O)[C@H]13)O2	ZINC000100838092	304160280	/nfs/dbraw/zinc/16/02/80/304160280.db2.gz	OBEJYZKIHMQPDP-MCYUEQNJSA-N	-1	0	289.262	1.197	40	0		CDABRM
Cc1cc(C(=O)N2CCOC[C@@H]2CC(=O)[O-])c(C)s1	ZINC000128260326	541903216	/nfs/dbraw/zinc/90/32/16/541903216.db2.gz	DNYKENUGGZDVEU-JTQLQIEISA-N	-1	0	283.349	1.681	40	0		CDABRM
CCCC[C@@H](C)C(=O)[N-]S(=O)(=O)c1nnc(C)s1	ZINC000225725764	375191735	/nfs/dbraw/zinc/19/17/35/375191735.db2.gz	JHHVFNSOFLWDCN-SSDOTTSWSA-N	-1	0	291.398	1.478	40	0		CDABRM
CCn1ccc(C(=O)N2CCC[C@](C)(C(=O)[O-])C2)n1	ZINC000257292807	190027799	/nfs/dbraw/zinc/02/77/99/190027799.db2.gz	QNAIIHYPOKBYDM-ZDUSSCGKSA-N	-1	0	265.313	1.230	40	0		CDABRM
CCN(C)c1ccc(N2C[C@@H](C(=O)[O-])CC2=O)cc1	ZINC000070461210	377035893	/nfs/dbraw/zinc/03/58/93/377035893.db2.gz	YQEYMRMFVVEHMS-JTQLQIEISA-N	-1	0	262.309	1.580	40	0		CDABRM
Nc1cc(C(=O)[O-])cc(Cl)c1Sc1nc[nH]n1	ZINC000070462531	377035915	/nfs/dbraw/zinc/03/59/15/377035915.db2.gz	CVMAYQMCQVGAOB-UHFFFAOYSA-N	-1	0	270.701	1.890	40	0		CDABRM
O=C([O-])c1cc(=O)[nH]c(COc2ccc(Cl)cc2)n1	ZINC000049470139	304220132	/nfs/dbraw/zinc/22/01/32/304220132.db2.gz	SBXFIGQDBRMSNW-UHFFFAOYSA-N	-1	0	280.667	1.701	40	0		CDABRM
O=C([O-])c1cc2[nH]c(=O)cc(-c3ccccc3)n2n1	ZINC000002787797	304228264	/nfs/dbraw/zinc/22/82/64/304228264.db2.gz	YWTGZRRGMPKJQZ-UHFFFAOYSA-N	-1	0	255.233	1.388	40	0		CDABRM
Cc1nc(C2(S(C)(=O)=O)CCC2)sc1C(=O)[O-]	ZINC000096531958	390542031	/nfs/dbraw/zinc/54/20/31/390542031.db2.gz	UWOQIJXPOBZMPR-UHFFFAOYSA-N	-1	0	275.351	1.574	40	0		CDABRM
CN(C)C(=O)COc1cccc(CCC(=O)[O-])c1	ZINC000072206755	390614871	/nfs/dbraw/zinc/61/48/71/390614871.db2.gz	OWSKBVUPPZLRMH-UHFFFAOYSA-N	-1	0	251.282	1.171	40	0		CDABRM
O=C([O-])[C@H]1C[C@@H](C(=O)[O-])[C@H](c2ccc(Cl)cc2)[NH2+]1	ZINC000004203124	169943851	/nfs/dbraw/zinc/94/38/51/169943851.db2.gz	MMUGORBTGPYPOV-BBBLOLIVSA-N	-1	0	269.684	1.528	40	0		CDABRM
CSC(=S)[N-]S(=O)(=O)c1cccs1	ZINC000006425118	170200281	/nfs/dbraw/zinc/20/02/81/170200281.db2.gz	PFWIZEXOZKNMOB-UHFFFAOYSA-N	-1	0	253.395	1.674	40	0		CDABRM
O=C([O-])[C@H]1CC(=O)N(c2ccc(F)c(F)c2F)C1	ZINC000021953113	171340722	/nfs/dbraw/zinc/34/07/22/171340722.db2.gz	YLTZALNXOUIYJQ-YFKPBYRVSA-N	-1	0	259.183	1.541	40	0		CDABRM
O=C([O-])[C@@H]1CCCN1C(=O)c1ccc(Cl)nc1	ZINC000026896561	171502261	/nfs/dbraw/zinc/50/22/61/171502261.db2.gz	KFUWPIPGGQLKMT-QMMMGPOBSA-N	-1	0	254.673	1.424	40	0		CDABRM
O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCNC[C@@H]1c1cccc(F)c1	ZINC000656853064	413733548	/nfs/dbraw/zinc/73/35/48/413733548.db2.gz	QCQOMDVBYLTPFN-JHJVBQTASA-N	-1	0	292.310	1.019	40	0		CDABRM
COc1ccc(Cc2ncc(C(=O)[O-])cn2)cc1OC	ZINC000040449100	174265344	/nfs/dbraw/zinc/26/53/44/174265344.db2.gz	ZFMRPTHKQSRSEA-UHFFFAOYSA-N	-1	0	274.276	1.783	40	0		CDABRM
CCCC(=O)Nc1ccc(N2C[C@@H](C(=O)[O-])CC2=O)cc1	ZINC000045953840	175389184	/nfs/dbraw/zinc/38/91/84/175389184.db2.gz	CXWBQEFWTOCJKK-JTQLQIEISA-N	-1	0	290.319	1.863	40	0		CDABRM
O=C([O-])CCCCNC(=O)Cc1cccc(F)c1	ZINC000070197696	175881757	/nfs/dbraw/zinc/88/17/57/175881757.db2.gz	IYXMDGKLIRPJRT-UHFFFAOYSA-N	-1	0	253.273	1.739	40	0		CDABRM
COc1cc(C2=NO[C@](C)(C(=O)[O-])C2)cc(OC)c1OC	ZINC000071981085	176307775	/nfs/dbraw/zinc/30/77/75/176307775.db2.gz	PFVNCSPMENPJIB-AWEZNQCLSA-N	-1	0	295.291	1.680	40	0		CDABRM
COCc1cccc(S(=O)(=O)[N-]c2ncc(C)s2)c1	ZINC000072240312	176347900	/nfs/dbraw/zinc/34/79/00/176347900.db2.gz	MMOJDAJZZUSODR-UHFFFAOYSA-N	-1	0	298.389	1.821	40	0		CDABRM
CC(=O)N1CC[C@]1(CCCc1ccncc1)C(=O)[O-]	ZINC000072344358	176373116	/nfs/dbraw/zinc/37/31/16/176373116.db2.gz	FKGYHUHKVHMTBX-CQSZACIVSA-N	-1	0	262.309	1.480	40	0		CDABRM
CC(C)(C)OC(=O)C(C)(C)n1cc(C(=O)[O-])cn1	ZINC000408715751	526340414	/nfs/dbraw/zinc/34/04/14/526340414.db2.gz	DEMXYOGOTHOPLK-UHFFFAOYSA-N	-1	0	254.286	1.658	40	0		CDABRM
O=S(=O)([N-]c1ncccc1F)c1cnn(C2CCC2)c1	ZINC000903619734	626038977	/nfs/dbraw/zinc/03/89/77/626038977.db2.gz	OFCLVHCTORTXPF-UHFFFAOYSA-N	-1	0	296.327	1.943	40	0		CDABRM
CC(=O)CCC/C=C/[C@@H]1C[C@H](O)C[C@@H]1[C@@H](O)/C=C/C(=O)[O-]	ZINC000229761069	711893901	/nfs/dbraw/zinc/89/39/01/711893901.db2.gz	XOBLMJHTXIQOHS-DPCKFUGMSA-N	-1	0	296.363	1.691	40	0	biogenic,in-vitro	CDABRM
Cn1cc([C@H]2C[C@H](C(=O)[O-])CN(C(=O)C3(C)CC3)C2)cn1	ZINC000868454061	712279611	/nfs/dbraw/zinc/27/96/11/712279611.db2.gz	XLNAENTXGDOEGX-QWRGUYRKSA-N	-1	0	291.351	1.237	40	0		CDABRM
O=C([O-])c1cnc(NCC[C@@H]2CCCCO2)nc1	ZINC000310969279	342142166	/nfs/dbraw/zinc/14/21/66/342142166.db2.gz	VNFKPTRETLVQDQ-JTQLQIEISA-N	-1	0	251.286	1.546	40	0		CDABRM
O=S1(=O)C=C([O-])c2cc(Br)ccc21	ZINC000222335508	343023911	/nfs/dbraw/zinc/02/39/11/343023911.db2.gz	OSCAROHQYYOTHG-UHFFFAOYSA-N	-1	0	261.096	1.419	40	0		CDABRM
C[C@@H](Cn1ccc(C(=O)[O-])n1)C(=O)OC(C)(C)C	ZINC000408716789	365730392	/nfs/dbraw/zinc/73/03/92/365730392.db2.gz	QYFYKFTUXQBDJI-QMMMGPOBSA-N	-1	0	254.286	1.559	40	0		CDABRM
Cc1ccc(CN(CC(=O)[O-])[C@@H]2CCS(=O)(=O)C2)cc1	ZINC000032176661	347009108	/nfs/dbraw/zinc/00/91/08/347009108.db2.gz	QTPYLXPMONXZHX-CYBMUJFWSA-N	-1	0	297.376	1.069	40	0		CDABRM
CCOC(=O)C=C([O-])c1cccc(OC)c1OC	ZINC000002575922	169812558	/nfs/dbraw/zinc/81/25/58/169812558.db2.gz	BXJDIUPDFVUWMW-UHFFFAOYSA-N	-1	0	252.266	1.840	40	0		CDABRM
CCn1c(SCC(=O)[O-])nnc1-c1cccnc1	ZINC000004130478	363193319	/nfs/dbraw/zinc/19/33/19/363193319.db2.gz	OOSBUTOTEHIICE-UHFFFAOYSA-N	-1	0	264.310	1.537	40	0		CDABRM
NC(=O)CC1(C(=O)[O-])c2ccccc2-c2ccccc21	ZINC000001570444	355939900	/nfs/dbraw/zinc/93/99/00/355939900.db2.gz	BOAXDNYEKFTSAX-UHFFFAOYSA-N	-1	0	267.284	1.913	40	0		CDABRM
Cc1ccccc1NC(=O)[C@H]1[C@H]2C=C[C@H](O2)[C@@H]1C(=O)[O-]	ZINC000003851285	356010680	/nfs/dbraw/zinc/01/06/80/356010680.db2.gz	PMEGSDDUBJBKAT-VOAKCMCISA-N	-1	0	273.288	1.588	40	0		CDABRM
CCn1nnc2c1[C@@H](C(=O)[O-])CN(C(=O)OC(C)(C)C)C2	ZINC000091303202	358509573	/nfs/dbraw/zinc/50/95/73/358509573.db2.gz	ICRDMQXZYFMJNL-QMMMGPOBSA-N	-1	0	296.327	1.217	40	0		CDABRM
COc1ccccc1OCc1nc(C(=O)[O-])cc(=O)[nH]1	ZINC000049470147	357217585	/nfs/dbraw/zinc/21/75/85/357217585.db2.gz	TVOXAXJJOVDPBP-UHFFFAOYSA-N	-1	0	276.248	1.056	40	0		CDABRM
CC(C)[C@@]1(c2cccs2)NC(=O)N(CC(=O)[O-])C1=O	ZINC000049728534	357221531	/nfs/dbraw/zinc/22/15/31/357221531.db2.gz	RWFACSVRRKQCRV-LBPRGKRZSA-N	-1	0	282.321	1.236	40	0		CDABRM
O=C([O-])[C@@H]1CCCN(c2cc(C3CC3)nc3ncnn32)C1	ZINC000096515968	357522297	/nfs/dbraw/zinc/52/22/97/357522297.db2.gz	WXSFLDQCTREDRW-SNVBAGLBSA-N	-1	0	287.323	1.303	40	0		CDABRM
CC(C)N(C(C)C)S(=O)(=O)c1cncc(C(=O)[O-])c1	ZINC000079006690	358057207	/nfs/dbraw/zinc/05/72/07/358057207.db2.gz	VGQOLCYCBYAOCW-UHFFFAOYSA-N	-1	0	286.353	1.587	40	0		CDABRM
Cc1c(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[nH]2)cnn1C	ZINC000347419000	359358774	/nfs/dbraw/zinc/35/87/74/359358774.db2.gz	OEIDBASPEIWAIS-SNAWJCMRSA-N	-1	0	288.307	1.330	40	0		CDABRM
CSc1nc(CC(=O)[O-])cc(N2CCCC2)n1	ZINC000225010395	359544324	/nfs/dbraw/zinc/54/43/24/359544324.db2.gz	QPSXNTHRFVRDRC-UHFFFAOYSA-N	-1	0	253.327	1.426	40	0		CDABRM
Cc1nc(S(=O)(=O)[N-]C(=O)C(C)(C)C)sc1C	ZINC000408502554	361483699	/nfs/dbraw/zinc/48/36/99/361483699.db2.gz	SQKAJILYGMENGC-UHFFFAOYSA-N	-1	0	276.383	1.611	40	0		CDABRM
O=C([O-])CN1C(=O)S/C(=C/c2ccsc2)C1=O	ZINC000409146265	363933400	/nfs/dbraw/zinc/93/34/00/363933400.db2.gz	RVYUQWQEOCABTJ-XVNBXDOJSA-N	-1	0	269.303	1.869	40	0		CDABRM
CCC[C@H](NC(=O)c1cnc2ccccc2n1)C(=O)[O-]	ZINC000001615666	364384375	/nfs/dbraw/zinc/38/43/75/364384375.db2.gz	GKPRLPKETMIBDP-NSHDSACASA-N	-1	0	273.292	1.613	40	0		CDABRM
Cc1cc(S(=O)(=O)[N-]c2nonc2C)sc1C	ZINC000137266968	364547190	/nfs/dbraw/zinc/54/71/90/364547190.db2.gz	GTKITZOPOUBEAR-UHFFFAOYSA-N	-1	0	273.339	1.857	40	0		CDABRM
CCCNS(=O)(=O)c1cc(C(=O)[O-])ccc1NCC	ZINC000217701668	189711411	/nfs/dbraw/zinc/71/14/11/189711411.db2.gz	NTKGPWFMJPXFNE-UHFFFAOYSA-N	-1	0	286.353	1.505	40	0		CDABRM
COc1cc(C)cc2c(=O)ccn(CCC(=O)[O-])c12	ZINC000064874687	374240335	/nfs/dbraw/zinc/24/03/35/374240335.db2.gz	FUICEIZOAJNOMV-UHFFFAOYSA-N	-1	0	261.277	1.793	40	0		CDABRM
CN(C(=O)c1c([O-])cccc1F)[C@@H]1CCCCNC1=O	ZINC000225395290	374284578	/nfs/dbraw/zinc/28/45/78/374284578.db2.gz	IODOBUQIFOSADR-SNVBAGLBSA-N	-1	0	280.299	1.272	40	0		CDABRM
Cc1ccc(C)c(CS(=O)(=O)[N-]C(=O)[C@@H]2C[C@H]2C)c1	ZINC000225412899	374326217	/nfs/dbraw/zinc/32/62/17/374326217.db2.gz	SHYQMOLRMJKPRW-DGCLKSJQSA-N	-1	0	281.377	1.905	40	0		CDABRM
O=C([O-])Cc1ccc2[nH]c(Br)nc2c1	ZINC000217771901	375729819	/nfs/dbraw/zinc/72/98/19/375729819.db2.gz	VYEQWOZMERNYCC-UHFFFAOYSA-N	-1	0	255.071	1.953	40	0		CDABRM
C[C@H](Oc1ccc2nc3n(c(=O)c2c1)CCCC3)C(=O)[O-]	ZINC000218781193	375894796	/nfs/dbraw/zinc/89/47/96/375894796.db2.gz	HFDJAQIKIPGMRY-VIFPVBQESA-N	-1	0	288.303	1.585	40	0		CDABRM
COc1ncc([N-]S(=O)(=O)c2ccccc2)cn1	ZINC000224284944	376482293	/nfs/dbraw/zinc/48/22/93/376482293.db2.gz	HQTQBFNBFJYXJQ-UHFFFAOYSA-N	-1	0	265.294	1.286	40	0		CDABRM
CCn1ccc(C(=O)NCc2ccc(C(=O)[O-])cc2)n1	ZINC000000355706	169615892	/nfs/dbraw/zinc/61/58/92/169615892.db2.gz	LDMJGPDYKPWDIV-UHFFFAOYSA-N	-1	0	273.292	1.531	40	0		CDABRM
CC(C)C(=O)NC(=S)Nc1cccc(C(=O)[O-])c1	ZINC000000570123	169670331	/nfs/dbraw/zinc/67/03/31/169670331.db2.gz	XRMOOGKIOHKNNI-UHFFFAOYSA-N	-1	0	266.322	1.854	40	0		CDABRM
O=C([O-])c1cccc(NC(=S)NC[C@@H]2CCCO2)c1	ZINC000000874355	169682166	/nfs/dbraw/zinc/68/21/66/169682166.db2.gz	QMIXKBQKEHUMSX-NSHDSACASA-N	-1	0	280.349	1.850	40	0		CDABRM
Cc1n[nH]c(C)c1CCC(=O)N1CCC[C@H](C(=O)[O-])C1	ZINC000096517442	390533229	/nfs/dbraw/zinc/53/32/29/390533229.db2.gz	YCCRGZCZPQFROK-NSHDSACASA-N	-1	0	279.340	1.282	40	0		CDABRM
CCS(=O)(=O)C(CO)=C([O-])c1ccc(Cl)cc1	ZINC000096518801	390535075	/nfs/dbraw/zinc/53/50/75/390535075.db2.gz	RDSILXWPXYUAIQ-SNVBAGLBSA-N	-1	0	276.741	1.318	40	0		CDABRM
O=C([O-])CCCCCNCS(=O)(=O)c1ccccc1	ZINC000098181625	391248774	/nfs/dbraw/zinc/24/87/74/391248774.db2.gz	OLUXXKLSWDXSDR-UHFFFAOYSA-N	-1	0	285.365	1.652	40	0		CDABRM
CC(C)CCC[C@H](C)NC(=O)[C@H]1[C@@H](C(=O)[O-])[C@H]2C=C[C@@H]1O2	ZINC000225708335	391976120	/nfs/dbraw/zinc/97/61/20/391976120.db2.gz	XYPIQJJOFTYTTL-QNSTZXKLSA-N	-1	0	295.379	1.972	40	0		CDABRM
COc1cc(C(=O)N2CC[C@H](C(=O)[O-])C2)ccc1Cl	ZINC000262927434	131274124	/nfs/dbraw/zinc/27/41/24/131274124.db2.gz	JPESSOYOISNJAR-VIFPVBQESA-N	-1	0	283.711	1.895	40	0		CDABRM
Cc1nn(C)c(C)c1C(=O)N[C@@](C)(CC(=O)[O-])C(C)C	ZINC000262949309	131275615	/nfs/dbraw/zinc/27/56/15/131275615.db2.gz	LFCRNOIZSYIBAE-AWEZNQCLSA-N	-1	0	281.356	1.656	40	0		CDABRM
Cc1ccsc1S(=O)(=O)N[C@H](C)CC(=O)[O-]	ZINC000309664851	149187883	/nfs/dbraw/zinc/18/78/83/149187883.db2.gz	HFYFOEKVTBFYIS-SSDOTTSWSA-N	-1	0	263.340	1.198	40	0		CDABRM
O=C([O-])[C@H]1C[C@H]2c3ccccc3N[C@H]2[C@H]2CCC(=O)N21	ZINC000003847258	169916574	/nfs/dbraw/zinc/91/65/74/169916574.db2.gz	ZOJBHIDKMQCKNB-LEJCRSTHSA-N	-1	0	272.304	1.412	40	0		CDABRM
CC[C@@](S[C@H](C)C(N)=O)(C(=O)[O-])c1ccccc1	ZINC000004899930	170037956	/nfs/dbraw/zinc/03/79/56/170037956.db2.gz	JVIWVXBCVDQBOQ-RNCFNFMXSA-N	-1	0	267.350	1.984	40	0		CDABRM
CC(C)CSC(=S)[N-][C@H]1CCS(=O)(=O)C1	ZINC000005613917	170119746	/nfs/dbraw/zinc/11/97/46/170119746.db2.gz	KLIMQSQXHZRZIP-QMMMGPOBSA-N	-1	0	267.441	1.437	40	0		CDABRM
COc1ccc(NC(=O)N(C)CCC(=O)[O-])cc1	ZINC000005719611	170132934	/nfs/dbraw/zinc/13/29/34/170132934.db2.gz	OQYDMYZQRYQRLI-UHFFFAOYSA-N	-1	0	252.270	1.634	40	0		CDABRM
O=C([O-])CCn1nnc(-c2ccc(Cl)cc2)n1	ZINC000006557429	170213053	/nfs/dbraw/zinc/21/30/53/170213053.db2.gz	GHFHGRCLLWAJBT-UHFFFAOYSA-N	-1	0	252.661	1.468	40	0		CDABRM
Cc1ccc(OCc2ncc(C(=O)[O-])c(=O)[nH]2)cc1	ZINC000020134281	171022266	/nfs/dbraw/zinc/02/22/66/171022266.db2.gz	DWCCLJXGEPVWGC-UHFFFAOYSA-N	-1	0	260.249	1.356	40	0		CDABRM
Cc1ccc(Cn2c(=O)c(CC(=O)[O-])c[nH]c2=S)cc1	ZINC000020156323	171038992	/nfs/dbraw/zinc/03/89/92/171038992.db2.gz	RVWUTDGPFAAXPD-UHFFFAOYSA-N	-1	0	290.344	1.890	40	0		CDABRM
CCc1ccc(-n2c(=O)[nH]c(C)c(CC(=O)[O-])c2=O)cc1	ZINC000020156481	171039183	/nfs/dbraw/zinc/03/91/83/171039183.db2.gz	FROUUOHUWKEKMJ-UHFFFAOYSA-N	-1	0	288.303	1.024	40	0		CDABRM
C/C(=C/C(=O)[O-])C(=O)Nc1ccc(Br)cn1	ZINC000031904079	171657152	/nfs/dbraw/zinc/65/71/52/171657152.db2.gz	FTOKRVUMPFDZMH-XQRVVYSFSA-N	-1	0	285.097	1.814	40	0		CDABRM
CN(C)S(=O)(=O)c1ccc(SCC(=O)[O-])cc1	ZINC000035348917	172143167	/nfs/dbraw/zinc/14/31/67/172143167.db2.gz	YCPSGQPYUMSMTL-UHFFFAOYSA-N	-1	0	275.351	1.114	40	0		CDABRM
CC(C)(C)OC(=O)N[C@H](C(=O)[O-])[C@@H]1CC(Cl)=NO1	ZINC000038458303	174142262	/nfs/dbraw/zinc/14/22/62/174142262.db2.gz	RWXMLZZXASLDMQ-FSPLSTOPSA-N	-1	0	278.692	1.306	40	0	in-vitro	CDABRM
COc1ccc(OC)c2c1c(=O)cc(C)n2CC(=O)[O-]	ZINC000040175636	174200977	/nfs/dbraw/zinc/20/09/77/174200977.db2.gz	PRFXHRPMOPJUSV-UHFFFAOYSA-N	-1	0	277.276	1.412	40	0		CDABRM
CC(C)(C)OC(=O)N[C@@H](C(=O)[O-])c1ccccn1	ZINC000044713530	175235752	/nfs/dbraw/zinc/23/57/52/175235752.db2.gz	HOSQZYHLHUXAGN-SECBINFHSA-N	-1	0	252.270	1.732	40	0		CDABRM
Cc1ccc(S(=O)(=O)N2CCC=C(C(=O)[O-])C2)cc1	ZINC000072226948	176343402	/nfs/dbraw/zinc/34/34/02/176343402.db2.gz	JCLZGJOCBVPXJF-UHFFFAOYSA-N	-1	0	281.333	1.400	40	0		CDABRM
CC(=O)N1CCC[C@@H]1c1nccnc1[N-]c1ncccn1	ZINC000072384627	176388855	/nfs/dbraw/zinc/38/88/55/176388855.db2.gz	SZVZIIUBSSZYKF-LLVKDONJSA-N	-1	0	284.323	1.694	40	0		CDABRM
COC(=O)c1cccc(S(=O)(=O)[N-]c2cccnc2)c1	ZINC000078516313	177349061	/nfs/dbraw/zinc/34/90/61/177349061.db2.gz	FDCKKNQZDLEWPF-UHFFFAOYSA-N	-1	0	292.316	1.669	40	0		CDABRM
CC[C@H](C(=O)[O-])C1(O)CCN(C(=O)OC(C)(C)C)CC1	ZINC000118277985	287512438	/nfs/dbraw/zinc/51/24/38/287512438.db2.gz	ZSYPQTZAKMOBPT-SNVBAGLBSA-N	-1	0	287.356	1.859	40	0		CDABRM
CC(=O)Nc1c2cc(F)ccc2n(C)c1C(=O)[O-]	ZINC000006857015	278184555	/nfs/dbraw/zinc/18/45/55/278184555.db2.gz	WYMFDBSFPOLVLD-UHFFFAOYSA-N	-1	0	250.229	1.974	40	0		CDABRM
CCC(=O)N1CCCC[C@@H]1c1cc(=O)n2[n-]ccc2n1	ZINC000257282557	281880842	/nfs/dbraw/zinc/88/08/42/281880842.db2.gz	OUGHUVWBDHTHMW-LLVKDONJSA-N	-1	0	274.324	1.899	40	0		CDABRM
CCn1nnc2c1[C@H](C(=O)[O-])CN(C(=O)OC(C)(C)C)C2	ZINC000091303203	288771339	/nfs/dbraw/zinc/77/13/39/288771339.db2.gz	ICRDMQXZYFMJNL-MRVPVSSYSA-N	-1	0	296.327	1.217	40	0		CDABRM
CN(C)C(=O)N(CC(=O)[O-])Cc1ccc(Cl)s1	ZINC000548247041	289859662	/nfs/dbraw/zinc/85/96/62/289859662.db2.gz	KYFMGIJAKMTJMY-UHFFFAOYSA-N	-1	0	276.745	1.970	40	0		CDABRM
COCc1cccc(C(=O)N2CCC[C@H]2CC(=O)[O-])c1	ZINC000042145014	293309050	/nfs/dbraw/zinc/30/90/50/293309050.db2.gz	DLBDNHAPUSFWLP-ZDUSSCGKSA-N	-1	0	277.320	1.912	40	0		CDABRM
Cn1cc(/C=C2/NC(=O)N(CC(=O)[O-])C2=O)c2ccccc21	ZINC000004934987	342487722	/nfs/dbraw/zinc/48/77/22/342487722.db2.gz	XTFZCMXYTXCDFX-IZZDOVSWSA-N	-1	0	299.286	1.156	40	0		CDABRM
CCn1c2cc(Cl)ccc2nc1S(=O)(=O)[O-]	ZINC000095532046	185004904	/nfs/dbraw/zinc/00/49/04/185004904.db2.gz	RMSJGOJHTZJYJE-UHFFFAOYSA-N	-1	0	260.702	1.956	40	0		CDABRM
C[C@@H](CNC(=O)c1sccc1Br)C(=O)[O-]	ZINC000082613767	178126356	/nfs/dbraw/zinc/12/63/56/178126356.db2.gz	HCGXBTSDOAYQQQ-YFKPBYRVSA-N	-1	0	292.154	1.961	40	0		CDABRM
CSc1nc2n(n1)[C@@H](c1ccccn1)CC(C(=O)[O-])=N2	ZINC000102335746	185774578	/nfs/dbraw/zinc/77/45/78/185774578.db2.gz	ICQJLJFWQSQJJS-SECBINFHSA-N	-1	0	289.320	1.378	40	0		CDABRM
CCOc1cc(/C=C2/NC(=O)[N-]C2=O)c(Cl)cc1OC	ZINC000085382258	348740852	/nfs/dbraw/zinc/74/08/52/348740852.db2.gz	LXMIMACTYHKPRZ-RUDMXATFSA-N	-1	0	296.710	1.928	40	0		CDABRM
CCOc1ccc(-c2ccc(=O)n([C@H](C)C(=O)[O-])n2)cc1	ZINC000061966079	362958576	/nfs/dbraw/zinc/95/85/76/362958576.db2.gz	MBFROVQQNLTAGZ-SNVBAGLBSA-N	-1	0	288.303	1.955	40	0		CDABRM
CCOc1ccc(-c2ccc(=O)n([C@@H](C)C(=O)[O-])n2)cc1	ZINC000061966078	362958644	/nfs/dbraw/zinc/95/86/44/362958644.db2.gz	MBFROVQQNLTAGZ-JTQLQIEISA-N	-1	0	288.303	1.955	40	0		CDABRM
CC[C@@](C)(O)c1cn(-c2ccc(S(=O)(=O)[O-])cc2)nn1	ZINC000001622794	355943023	/nfs/dbraw/zinc/94/30/23/355943023.db2.gz	RSTNMSONLWMKME-GFCCVEGCSA-N	-1	0	297.336	1.132	40	0		CDABRM
Cc1ccccc1-c1nnc(CS(=O)(=O)[O-])o1	ZINC000408712118	356097325	/nfs/dbraw/zinc/09/73/25/356097325.db2.gz	DQTIJBIPLHQXLT-UHFFFAOYSA-N	-1	0	254.267	1.433	40	0		CDABRM
Cc1ccc(-c2cc(C(=O)[O-])nc3ncnn32)cc1	ZINC000020394008	356540575	/nfs/dbraw/zinc/54/05/75/356540575.db2.gz	LXTAANFXXOUJRM-UHFFFAOYSA-N	-1	0	254.249	1.798	40	0		CDABRM
O=c1c(Cc2ccccc2)c([O-])nc2ncccn12	ZINC000016989293	357582522	/nfs/dbraw/zinc/58/25/22/357582522.db2.gz	AXRXFKZSNKIBPB-UHFFFAOYSA-N	-1	0	253.261	1.386	40	0		CDABRM
CO[C@H](C)C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1	ZINC000262029646	359124442	/nfs/dbraw/zinc/12/44/42/359124442.db2.gz	AQMCDZRZBNNMOZ-SSDOTTSWSA-N	-1	0	287.699	1.777	40	0		CDABRM
CCn1cccc1/C=C1/SC(=O)N(CC(=O)[O-])C1=O	ZINC000409128019	363918060	/nfs/dbraw/zinc/91/80/60/363918060.db2.gz	IGHYBCLZWKXINA-RMKNXTFCSA-N	-1	0	280.305	1.629	40	0		CDABRM
O=C([O-])[C@@H]1CCCN1c1nn2cnnc2c2ccccc21	ZINC000053943715	304115876	/nfs/dbraw/zinc/11/58/76/304115876.db2.gz	GREQCWOZJIAEHL-NSHDSACASA-N	-1	0	283.291	1.331	40	0		CDABRM
CC[C@@H](C)NS(=O)(=O)c1cc(C(=O)[O-])ccc1NC	ZINC000217710793	189711246	/nfs/dbraw/zinc/71/12/46/189711246.db2.gz	QMJQZSKAKUQWGH-MRVPVSSYSA-N	-1	0	286.353	1.503	40	0		CDABRM
CO[C@H]1C(=O)N(c2ccc(Cl)cc2)[C@H]1C(=O)[O-]	ZINC000218277803	365259706	/nfs/dbraw/zinc/25/97/06/365259706.db2.gz	PTXDKQFQKITKRH-RKDXNWHRSA-N	-1	0	255.657	1.155	40	0		CDABRM
CCCS(=O)(=O)c1ccc(OCC(=O)[O-])c(Cl)c1	ZINC000218304496	365419557	/nfs/dbraw/zinc/41/95/57/365419557.db2.gz	IPWGSAGBAOLNIF-UHFFFAOYSA-N	-1	0	292.740	1.987	40	0		CDABRM
COc1cc(Br)nc(C(=O)[O-])c1OC	ZINC000218314945	365462856	/nfs/dbraw/zinc/46/28/56/365462856.db2.gz	AZBCTYULNLGXGL-UHFFFAOYSA-N	-1	0	262.059	1.560	40	0		CDABRM
CC(C)Oc1ccc(C(=O)[O-])cc1N1C(=O)CCC1=O	ZINC000225153869	189744509	/nfs/dbraw/zinc/74/45/09/189744509.db2.gz	KEGJVEJAVPWOIY-UHFFFAOYSA-N	-1	0	277.276	1.825	40	0		CDABRM
CC(C)(C)OC(=O)N1CC[C@H](SCC(=O)[O-])C1	ZINC000079392073	372359187	/nfs/dbraw/zinc/35/91/87/372359187.db2.gz	UCLGMVQUPDUFBZ-QMMMGPOBSA-N	-1	0	261.343	1.814	40	0		CDABRM
O=C(N=c1ccc(C2CC2)n[n-]1)N[C@@H]1CCc2c[nH]nc2C1	ZINC000333254075	205156501	/nfs/dbraw/zinc/15/65/01/205156501.db2.gz	ZABHXVRXCGBORJ-LLVKDONJSA-N	-1	0	298.350	1.178	40	0		CDABRM
O=C([O-])[C@H]1CC(=O)c2cc(Br)ccc2O1	ZINC000011849049	304175059	/nfs/dbraw/zinc/17/50/59/304175059.db2.gz	JSQMJWWDPOCMSU-SECBINFHSA-N	-1	0	271.066	1.868	40	0		CDABRM
CC(C)(C)c1nnc([C@H]2CCN(C(=O)CCC(=O)[O-])C2)o1	ZINC000049170832	373981848	/nfs/dbraw/zinc/98/18/48/373981848.db2.gz	IXKYVKJMEQRNCG-VIFPVBQESA-N	-1	0	295.339	1.548	40	0	biogenic,in-vitro	CDABRM
CCS(=O)(=O)[C@@H]1[C@@H](C(=O)[O-])[C@@H]1c1ccccc1	ZINC000218028728	375779094	/nfs/dbraw/zinc/77/90/94/375779094.db2.gz	QFZQFEKJMVWVJE-DCAQKATOSA-N	-1	0	254.307	1.288	40	0		CDABRM
O=S(=O)([N-]c1nc2ncccn2n1)c1cccc(F)c1	ZINC000073840488	375800007	/nfs/dbraw/zinc/80/00/07/375800007.db2.gz	VVCSNQNSBGRFSK-UHFFFAOYSA-N	-1	0	293.283	1.064	40	0		CDABRM
CC(C)(C)OC(=O)N[C@@]1(C(=O)[O-])C[C@H]1c1cn[nH]c1	ZINC000242750541	376094540	/nfs/dbraw/zinc/09/45/40/376094540.db2.gz	ZRCXGNDESAXUQC-UFBFGSQYSA-N	-1	0	267.285	1.245	40	0		CDABRM
O=C([O-])[C@H]1Cc2[nH]cnc2[C@@H](c2ccccc2Cl)N1	ZINC000005728967	304205866	/nfs/dbraw/zinc/20/58/66/304205866.db2.gz	VPFAMVMZJHWLJH-GHMZBOCLSA-N	-1	0	277.711	1.751	40	0		CDABRM
COc1ccc(C(=O)N[C@@H](C)[C@H](C)C(=O)[O-])c(F)c1	ZINC000228707578	262339507	/nfs/dbraw/zinc/33/95/07/262339507.db2.gz	QAOBQBZJRJKWBR-YUMQZZPRSA-N	-1	0	269.272	1.673	40	0		CDABRM
Cc1ncnc(Oc2ccc(C(=O)[O-])cc2)c1CCO	ZINC000096531070	390542104	/nfs/dbraw/zinc/54/21/04/390542104.db2.gz	PSUYOLKBMNKFAG-UHFFFAOYSA-N	-1	0	274.276	1.810	40	0		CDABRM
O=C([O-])c1cccc(NCC2(CCO)CCC2)n1	ZINC000416410221	391297206	/nfs/dbraw/zinc/29/72/06/391297206.db2.gz	FAEJZZNSSXVZOD-UHFFFAOYSA-N	-1	0	250.298	1.744	40	0		CDABRM
O=C([O-])[C@@H]1CCCN1C(=O)CCc1cccc(F)c1	ZINC000082243778	391482245	/nfs/dbraw/zinc/48/22/45/391482245.db2.gz	QQNIRQZFFNXYFK-LBPRGKRZSA-N	-1	0	265.284	1.834	40	0		CDABRM
CS(=O)(=O)[C@@H]1[C@H](C(=O)[O-])[C@H]1c1cccc(F)c1	ZINC000242464093	393129533	/nfs/dbraw/zinc/12/95/33/393129533.db2.gz	DVWHMBXHYSUMKD-BBBLOLIVSA-N	-1	0	258.270	1.037	40	0		CDABRM
Cc1cnc([C@@H](NC(=O)c2ccccc2)C(=O)[O-])c(C)n1	ZINC000096508951	393188989	/nfs/dbraw/zinc/18/89/89/393188989.db2.gz	UPPCDPIZPJWWSR-CYBMUJFWSA-N	-1	0	285.303	1.649	40	0		CDABRM
CN(C)c1nccc(N2CCC[C@H](CC(=O)[O-])C2)n1	ZINC000085436990	135037316	/nfs/dbraw/zinc/03/73/16/135037316.db2.gz	FSXONHMFFUVWBE-SNVBAGLBSA-N	-1	0	264.329	1.234	40	0		CDABRM
CCO[C@@H]1COCC[C@H]1Nc1cccc(C(=O)[O-])n1	ZINC000263387189	286229659	/nfs/dbraw/zinc/22/96/59/286229659.db2.gz	FEVRITMPTSCOHW-MWLCHTKSSA-N	-1	0	266.297	1.386	40	0		CDABRM
O=C([O-])[C@@H](NC(=O)c1ccccc1)[C@@H](O)c1ccccc1	ZINC000001706100	169746084	/nfs/dbraw/zinc/74/60/84/169746084.db2.gz	BDKNRYXHGHTRCI-KBPBESRZSA-N	-1	0	285.299	1.603	40	0		CDABRM
O=C(NCCS(=O)(=O)[O-])Nc1cccc2ccccc21	ZINC000005605010	170118976	/nfs/dbraw/zinc/11/89/76/170118976.db2.gz	FETFXWRCKDTUOZ-UHFFFAOYSA-N	-1	0	294.332	1.849	40	0		CDABRM
COC(=O)[C@H]1C[C@H](C(=O)[O-])[C@H](c2cccc(F)c2F)N1C	ZINC000008730136	170350892	/nfs/dbraw/zinc/35/08/92/170350892.db2.gz	LSMSYAWGQQYGDR-XRNSZHNASA-N	-1	0	299.273	1.584	40	0		CDABRM
O=C([O-])[C@H]1[C@@H](C(=O)NCCc2ccccc2)[C@H]2CC[C@@H]1O2	ZINC000015746547	170675982	/nfs/dbraw/zinc/67/59/82/170675982.db2.gz	QNMKUAYWBNBHJI-ZOBORPQBSA-N	-1	0	289.331	1.224	40	0		CDABRM
CC(C)(C)C(=O)NC(=S)Nc1ccc(C(=O)[O-])c(O)c1	ZINC000020151410	171037345	/nfs/dbraw/zinc/03/73/45/171037345.db2.gz	JEXYYJVUTJMZCA-UHFFFAOYSA-N	-1	0	296.348	1.950	40	0		CDABRM
CCCNS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl	ZINC000021502203	171305649	/nfs/dbraw/zinc/30/56/49/171305649.db2.gz	AJEXKXFWRREDIW-UHFFFAOYSA-N	-1	0	277.729	1.727	40	0		CDABRM
C/C(C(=O)[O-])=C(\C)C(=O)NCc1ccc2c(c1)OCO2	ZINC000033421003	171792382	/nfs/dbraw/zinc/79/23/82/171792382.db2.gz	ZCXGSSNERUUOFT-HJWRWDBZSA-N	-1	0	277.276	1.453	40	0		CDABRM
Cc1ccc(C[C@H](C(=O)[O-])N2CCOCC2)c(C)c1	ZINC000057550743	175598789	/nfs/dbraw/zinc/59/87/89/175598789.db2.gz	RRTXJARYEASNIL-CQSZACIVSA-N	-1	0	263.337	1.631	40	0		CDABRM
O=C([O-])C1CN(S(=O)(=O)c2ccc3c(c2)CCCC3)C1	ZINC000071173160	176053032	/nfs/dbraw/zinc/05/30/32/176053032.db2.gz	APODFXRQDIPRDT-UHFFFAOYSA-N	-1	0	295.360	1.271	40	0		CDABRM
CC(C)c1ccc(-n2c(=O)cc(C(=O)[O-])[nH]c2=O)cc1	ZINC000222648901	280585564	/nfs/dbraw/zinc/58/55/64/280585564.db2.gz	SQWLOKYYASDKKF-UHFFFAOYSA-N	-1	0	274.276	1.347	40	0		CDABRM
CN1C(=O)CO[C@@H](C(=O)[O-])[C@H]1c1ccc(Cl)cc1	ZINC000070274379	289814841	/nfs/dbraw/zinc/81/48/41/289814841.db2.gz	CHLQKLCCRRCNGW-GHMZBOCLSA-N	-1	0	269.684	1.323	40	0		CDABRM
CO[C@@H]1CC[C@H](NC(=O)c2cccc(C(=O)[O-])c2)C1	ZINC000234940061	293792623	/nfs/dbraw/zinc/79/26/23/293792623.db2.gz	IBJKVTHUSXLDOU-NWDGAFQWSA-N	-1	0	263.293	1.682	40	0		CDABRM
C[C@H]1[C@H](NC(=O)c2c(C(=O)[O-])cnn2C)CCC[C@@H]1C	ZINC000020616596	300708075	/nfs/dbraw/zinc/70/80/75/300708075.db2.gz	VZVKQYMCUYAOAN-IQJOONFLSA-N	-1	0	279.340	1.673	40	0		CDABRM
Cc1nc2n(n1)[C@H]([C@H]1CC=CCC1)CC(C(=O)[O-])=N2	ZINC000102278442	302684210	/nfs/dbraw/zinc/68/42/10/302684210.db2.gz	SBJIMYFMZSFTHT-ONGXEEELSA-N	-1	0	260.297	1.878	40	0		CDABRM
Cn1cc(-c2cnc(N3CCCC3)nc2)cc1C(=O)[O-]	ZINC000106813054	302903650	/nfs/dbraw/zinc/90/36/50/302903650.db2.gz	PCNWBXUMSTWDHD-UHFFFAOYSA-N	-1	0	272.308	1.781	40	0		CDABRM
O=C([O-])[C@@]1(NC(=O)[C@H]2CCCCO2)CCc2ccccc21	ZINC000677849655	482806591	/nfs/dbraw/zinc/80/65/91/482806591.db2.gz	JXUNPSWMUCIURQ-CZUORRHYSA-N	-1	0	289.331	1.598	40	0		CDABRM
C[C@](NC(=O)c1cnsn1)(C(=O)[O-])c1ccccc1	ZINC000052879069	525154450	/nfs/dbraw/zinc/15/44/50/525154450.db2.gz	WORSXCJFMZFOAB-GFCCVEGCSA-N	-1	0	277.305	1.268	40	0		CDABRM
O=C([O-])c1ccc(F)c(NC(=O)[C@@H]2CCCOC2)c1	ZINC000054768549	526371053	/nfs/dbraw/zinc/37/10/53/526371053.db2.gz	JXGDUKFJVWQYBX-SECBINFHSA-N	-1	0	267.256	1.889	40	0		CDABRM
C[C@@](NC(=O)c1csnn1)(C(=O)[O-])c1ccccc1	ZINC000087466389	538172749	/nfs/dbraw/zinc/17/27/49/538172749.db2.gz	NSMYJZBGQKKEGB-LBPRGKRZSA-N	-1	0	277.305	1.268	40	0		CDABRM
Nn1c([O-])c(C=Cc2cccs2)nnc1=S	ZINC000100314880	342482377	/nfs/dbraw/zinc/48/23/77/342482377.db2.gz	WKYZPYZXSHGNKQ-ARJAWSKDSA-N	-1	0	252.324	1.247	40	0		CDABRM
Cn1cccc1/C=C1\C(=O)[N-]C(=O)N(c2cccnc2)C1=O	ZINC000006969715	348732267	/nfs/dbraw/zinc/73/22/67/348732267.db2.gz	QDUPRILOKWDJQO-XYOKQWHBSA-N	-1	0	296.286	1.087	40	0		CDABRM
CN(CC(=O)[O-])c1ncc2c(n1)-c1ccccc1CC2	ZINC000001651206	355944088	/nfs/dbraw/zinc/94/40/88/355944088.db2.gz	OYMVIROINUYRPS-UHFFFAOYSA-N	-1	0	269.304	1.763	40	0		CDABRM
Cc1cncc([N-]S(=O)(=O)c2ccc(N)cc2)n1	ZINC000001673587	355946389	/nfs/dbraw/zinc/94/63/89/355946389.db2.gz	KZPZWCOQVNUUPU-UHFFFAOYSA-N	-1	0	264.310	1.168	40	0		CDABRM
O=S(=O)([N-]c1ccccc1)c1cc(O)ccc1O	ZINC000001719266	355949516	/nfs/dbraw/zinc/94/95/16/355949516.db2.gz	ARZGRGIMCMDHPW-UHFFFAOYSA-N	-1	0	265.290	1.899	40	0		CDABRM
Cc1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@H](O3)[C@@H]2C(=O)[O-])cc1C	ZINC000004144547	356019662	/nfs/dbraw/zinc/01/96/62/356019662.db2.gz	FTYPOSAFKRXDOQ-RQJABVFESA-N	-1	0	287.315	1.896	40	0		CDABRM
COc1ccc(CN2C(=O)CC[C@H]2C(=O)[O-])c(OC)c1	ZINC000011727247	356277706	/nfs/dbraw/zinc/27/77/06/356277706.db2.gz	QNJLHZAJJQFNCE-NSHDSACASA-N	-1	0	279.292	1.279	40	0		CDABRM
O=c1[nH]c2n[n-]c(=S)n2nc1-c1ccc(F)cc1	ZINC000026443365	356692842	/nfs/dbraw/zinc/69/28/42/356692842.db2.gz	ZONYMPGVHCSDHX-UHFFFAOYSA-N	-1	0	263.257	1.320	40	0		CDABRM
Cn1c(SCC(=O)[O-])nnc1-c1ccc(F)c(F)c1	ZINC000116937267	358062418	/nfs/dbraw/zinc/06/24/18/358062418.db2.gz	NQCWNQBPSBQFDT-UHFFFAOYSA-N	-1	0	285.275	1.937	40	0		CDABRM
CCn1nc(-c2cccc(OC)c2)cc(C(=O)[O-])c1=O	ZINC000098113999	358813372	/nfs/dbraw/zinc/81/33/72/358813372.db2.gz	KQOTZXPXJGRSKH-UHFFFAOYSA-N	-1	0	274.276	1.637	40	0		CDABRM
O=C([O-])CCCCCNC(=O)COc1ccccc1	ZINC000003159240	359058274	/nfs/dbraw/zinc/05/82/74/359058274.db2.gz	ZUTZHDZNCWZNIY-UHFFFAOYSA-N	-1	0	265.309	1.827	40	0		CDABRM
CCOC(=O)[C@H]1CCCN(C(=O)[C@H]2[C@H](C(=O)[O-])C2(C)C)C1	ZINC000034926405	360543555	/nfs/dbraw/zinc/54/35/55/360543555.db2.gz	YHQVBIYAMICIEJ-HBNTYKKESA-N	-1	0	297.351	1.145	40	0		CDABRM
Cn1cncc1C(=O)[N-]S(=O)(=O)CCC1CCCCC1	ZINC000408500188	361443217	/nfs/dbraw/zinc/44/32/17/361443217.db2.gz	PLHUPRRTWXEGNN-UHFFFAOYSA-N	-1	0	299.396	1.450	40	0		CDABRM
C[C@@]12C=C[C@@H](O1)[C@H](C(=O)[O-])[C@H]2C(=O)Nc1cccnc1	ZINC000409376261	364060470	/nfs/dbraw/zinc/06/04/70/364060470.db2.gz	WLQMLBIUPVZETO-ZHPDPMBESA-N	-1	0	274.276	1.064	40	0		CDABRM
Cc1ccc(C(=O)NCC2(C(=O)[O-])CCOCC2)cc1F	ZINC000165940157	364333946	/nfs/dbraw/zinc/33/39/46/364333946.db2.gz	PRPANRASUXAQOI-UHFFFAOYSA-N	-1	0	295.310	1.745	40	0		CDABRM
CCS(=O)(=O)[C@H]1[C@H](c2ccccc2)[C@@]1(COC)C(=O)[O-]	ZINC000218028483	189713427	/nfs/dbraw/zinc/71/34/27/189713427.db2.gz	BNQDVPWQAXSPKA-SGMGOOAPSA-N	-1	0	298.360	1.305	40	0		CDABRM
CC(C)O[C@H]1C(=O)N(Cc2ccccc2)[C@@H]1C(=O)[O-]	ZINC000218279429	365235539	/nfs/dbraw/zinc/23/55/39/365235539.db2.gz	UYLCZECCMKNUSM-NWDGAFQWSA-N	-1	0	263.293	1.276	40	0		CDABRM
COc1cccc(NC(=O)CSCC(=O)[O-])c1	ZINC000000285895	367042295	/nfs/dbraw/zinc/04/22/95/367042295.db2.gz	SEPSMJAHLMWBJC-UHFFFAOYSA-N	-1	0	255.295	1.452	40	0		CDABRM
CCc1cc(C(=O)NCc2ccc(C(=O)[O-])cc2)[nH]n1	ZINC000225455824	189752087	/nfs/dbraw/zinc/75/20/87/189752087.db2.gz	OLVMBJASMPOHJZ-UHFFFAOYSA-N	-1	0	273.292	1.600	40	0		CDABRM
C[C@H]1CCCN(C(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])C1	ZINC000013320357	374664251	/nfs/dbraw/zinc/66/42/51/374664251.db2.gz	RJKFJIGHKPUDQB-TUAOUCFPSA-N	-1	0	251.326	1.912	40	0		CDABRM
C[C@@H](NS(=O)(=O)c1ccc(C(=O)[O-])cc1)c1ccon1	ZINC000225586870	375166784	/nfs/dbraw/zinc/16/67/84/375166784.db2.gz	OSJNSNWHVSFHIL-MRVPVSSYSA-N	-1	0	296.304	1.412	40	0		CDABRM
CC(=O)N1CCC(C)(c2nc(C)cc(C(=O)[O-])n2)CC1	ZINC000257267552	190022869	/nfs/dbraw/zinc/02/28/69/190022869.db2.gz	MHUCDGRJYBWESZ-UHFFFAOYSA-N	-1	0	277.324	1.383	40	0		CDABRM
COc1ccc([C@](O)(C(=O)[O-])C(F)(F)F)cc1	ZINC000031829487	375839796	/nfs/dbraw/zinc/83/97/96/375839796.db2.gz	CLDPTGNQDNEKNP-VIFPVBQESA-N	-1	0	250.172	1.530	40	0		CDABRM
Cc1ccc(N2C(=O)N[C@@H](CCC(=O)[O-])C2=O)cc1C	ZINC000218713254	375886957	/nfs/dbraw/zinc/88/69/57/375886957.db2.gz	PBDMULIFUNQULW-NSHDSACASA-N	-1	0	276.292	1.593	40	0		CDABRM
O=C([O-])CCOc1ccc2c(c1)CCC(=O)N2CCF	ZINC000218786153	375895830	/nfs/dbraw/zinc/89/58/30/375895830.db2.gz	UCPCRFWBWSIWKT-UHFFFAOYSA-N	-1	0	281.283	1.789	40	0		CDABRM
O=C([O-])[C@H]1[C@@H]2C=C[C@@H](O2)[C@H]1C(=O)N1CCCCCC1	ZINC000005224178	304210016	/nfs/dbraw/zinc/21/00/16/304210016.db2.gz	AIXKLNBEFCDSDD-KXNHARMFSA-N	-1	0	265.309	1.043	40	0		CDABRM
O=C([O-])[C@H]1[C@@H]2C=C[C@@H](O2)[C@H]1C(=O)N1CCc2ccccc21	ZINC000005776382	304210099	/nfs/dbraw/zinc/21/00/99/304210099.db2.gz	QQBZWECDNHYQST-RQJABVFESA-N	-1	0	285.299	1.230	40	0		CDABRM
CCOc1ccc([C@@H]2[NH2+][C@H](C(=O)[O-])Cc3nc[nH]c32)cc1	ZINC000005817657	378215678	/nfs/dbraw/zinc/21/56/78/378215678.db2.gz	UHZXRSLLKCZJLZ-STQMWFEESA-N	-1	0	287.319	1.497	40	0		CDABRM
O=C([O-])C[NH2+]Cc1c(OCC(=O)[O-])ccc2ccccc21	ZINC000062717016	256721583	/nfs/dbraw/zinc/72/15/83/256721583.db2.gz	BNJSHFVTMVFCNE-UHFFFAOYSA-N	-1	0	289.287	1.477	40	0		CDABRM
Cc1noc(-c2ccnc(N3CC[C@H](C(=O)[O-])C3)c2)n1	ZINC000096516547	390534241	/nfs/dbraw/zinc/53/42/41/390534241.db2.gz	AIJRGCSMPGTGBS-JTQLQIEISA-N	-1	0	274.280	1.351	40	0		CDABRM
O=C([O-])CN1C(=O)C(c2ccccc2)=NC12CCCC2	ZINC000096516410	390534597	/nfs/dbraw/zinc/53/45/97/390534597.db2.gz	BNGZPRPDNZZCKQ-UHFFFAOYSA-N	-1	0	272.304	1.673	40	0		CDABRM
Cc1cccc(-c2ncc(CCC(=O)[O-])c(=O)[nH]2)c1	ZINC000215798627	391000315	/nfs/dbraw/zinc/00/03/15/391000315.db2.gz	SURXTHOGAXEUQJ-UHFFFAOYSA-N	-1	0	258.277	1.763	40	0		CDABRM
Cc1cc(-c2n[n-]c(=N)s2)nn1CC(F)(F)F	ZINC000408717729	391110994	/nfs/dbraw/zinc/11/09/94/391110994.db2.gz	QLSYWBXXGFAUJA-UHFFFAOYSA-N	-1	0	263.248	1.685	40	0		CDABRM
COc1ccc(C)cc1NC(=O)N/C=C/C(=O)[O-]	ZINC000222698000	533398277	/nfs/dbraw/zinc/39/82/77/533398277.db2.gz	WTLYSNMOVGFEIU-AATRIKPKSA-N	-1	0	250.254	1.723	40	0		CDABRM
CS(=O)(=O)Nc1cc(C(=O)[O-])ccc1Br	ZINC000226354053	130825003	/nfs/dbraw/zinc/82/50/03/130825003.db2.gz	TZJPNMDHVVVCLU-UHFFFAOYSA-N	-1	0	294.126	1.519	40	0		CDABRM
C[C@H]1CCc2nnc(N3CCC[C@@H](C(=O)[O-])C3)cc2C1	ZINC000225586459	393196021	/nfs/dbraw/zinc/19/60/21/393196021.db2.gz	LNFIFQHEMHZVCP-WDEREUQCSA-N	-1	0	275.352	1.902	40	0		CDABRM
Cc1ccc(S(=O)(=O)N(CC(=O)[O-])CC2CC2)cc1C	ZINC000036885463	398047755	/nfs/dbraw/zinc/04/77/55/398047755.db2.gz	COQJHOTYHHCPDM-UHFFFAOYSA-N	-1	0	297.376	1.789	40	0		CDABRM
O=C([O-])[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)NCc1ccco1	ZINC000005731202	170134460	/nfs/dbraw/zinc/13/44/60/170134460.db2.gz	HCQDWAKIDFCJKE-QCMRWSPLSA-N	-1	0	261.277	1.419	40	0		CDABRM
CC[C@@H]1C=CC[C@@H]2C(=O)N(CCCC(=O)[O-])C(=O)[C@@H]21	ZINC000006541156	170211842	/nfs/dbraw/zinc/21/18/42/170211842.db2.gz	SLAQTBMRVJUFIJ-JFGNBEQYSA-N	-1	0	265.309	1.439	40	0		CDABRM
O=C([O-])c1sccc1S(=O)(=O)NC1CCCC1	ZINC000015424099	170665875	/nfs/dbraw/zinc/66/58/75/170665875.db2.gz	ALQSJCCOLUPJID-UHFFFAOYSA-N	-1	0	275.351	1.667	40	0		CDABRM
CCCNS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1	ZINC000021815678	171332073	/nfs/dbraw/zinc/33/20/73/171332073.db2.gz	LCWVUVXLJRNWFQ-UHFFFAOYSA-N	-1	0	277.729	1.727	40	0		CDABRM
CCO[C@@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)[O-]	ZINC000040433959	174261219	/nfs/dbraw/zinc/26/12/19/174261219.db2.gz	DSLWCRVOGPJERI-JQWIXIFHSA-N	-1	0	281.308	1.791	40	0		CDABRM
CCCCc1ccc(-n2c(=O)[nH]cc(C(=O)[O-])c2=O)cc1	ZINC000078401856	177338055	/nfs/dbraw/zinc/33/80/55/177338055.db2.gz	CQOZQSJILCUVSL-UHFFFAOYSA-N	-1	0	288.303	1.567	40	0		CDABRM
CC(C)(C)OC(=O)[C@H]1N[C@H](C(=O)[O-])Cc2ccccc21	ZINC000059940631	278457401	/nfs/dbraw/zinc/45/74/01/278457401.db2.gz	SFWUPCBUUHDRHB-RYUDHWBXSA-N	-1	0	277.320	1.668	40	0		CDABRM
O=C([O-])[C@H]1CN(c2ncc(C(F)(F)F)s2)CCO1	ZINC000561094344	293049173	/nfs/dbraw/zinc/04/91/73/293049173.db2.gz	HKDOEMNORNVNGV-RXMQYKEDSA-N	-1	0	282.243	1.452	40	0		CDABRM
C[C@H]1Cc2ccccc2N1C(=O)[C@@H]1[C@@H](C(=O)[O-])[C@H]2C=C[C@@H]1O2	ZINC000002772377	300547980	/nfs/dbraw/zinc/54/79/80/300547980.db2.gz	RMGIGDUVERBGPU-WNBCSMFUSA-N	-1	0	299.326	1.618	40	0		CDABRM
Cc1cc(C)n(C(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)[O-])n1	ZINC000005793198	301236068	/nfs/dbraw/zinc/23/60/68/301236068.db2.gz	AOFJPWBHGXBNTE-YTWAJWBKSA-N	-1	0	264.281	1.018	40	0		CDABRM
COc1ccc(-n2nncc2CC(=O)[O-])cc1F	ZINC000084102415	482442313	/nfs/dbraw/zinc/44/23/13/482442313.db2.gz	FDQPYCAXBCZHHT-UHFFFAOYSA-N	-1	0	251.217	1.042	40	0		CDABRM
CC(C)Nc1ncc(C2=NO[C@](C)(C(=O)[O-])C2)cn1	ZINC000226084292	1161389500	/nfs/dbraw/zinc/38/95/00/1161389500.db2.gz	YFPQDDDZGXMGSN-LBPRGKRZSA-N	-1	0	264.285	1.265	40	0		CDABRM
Cc1ccccc1C[C@H]1SC[C@@H](C(=O)[O-])NC1=O	ZINC000062712032	525200813	/nfs/dbraw/zinc/20/08/13/525200813.db2.gz	WHABKYFHFFJAEK-WDEREUQCSA-N	-1	0	265.334	1.222	40	0		CDABRM
COC[C@@](C)(CC(=O)[O-])NC(=O)[C@H]1CC=CCC1	ZINC000237191306	601290774	/nfs/dbraw/zinc/29/07/74/601290774.db2.gz	MPRVIFDSOPKWLF-GXFFZTMASA-N	-1	0	255.314	1.339	40	0		CDABRM
CN1CCn2c1c(C(=O)c1ccccc1)cc(C(=O)[O-])c2=O	ZINC000072329877	1171879103	/nfs/dbraw/zinc/87/91/03/1171879103.db2.gz	ORVGEJSVFALWCE-UHFFFAOYSA-N	-1	0	298.298	1.227	40	0		CDABRM
CC(C)(C)OC(=O)N[C@H](Cn1nccc1Cl)C(=O)[O-]	ZINC000228971802	539088561	/nfs/dbraw/zinc/08/85/61/539088561.db2.gz	SSJAVPBFQDDKNP-SSDOTTSWSA-N	-1	0	289.719	1.514	40	0		CDABRM
O=C([O-])CNC(=O)C1(c2cccc(Cl)c2)CC1	ZINC000169918192	362202381	/nfs/dbraw/zinc/20/23/81/362202381.db2.gz	NIRMDTRCYSLPGO-UHFFFAOYSA-N	-1	0	253.685	1.572	40	0		CDABRM
C[C@@H](O)C[C@@H](C)CNC(=O)c1c([O-])cc(F)cc1F	ZINC000081796202	362214139	/nfs/dbraw/zinc/21/41/39/362214139.db2.gz	KPCVDNYEUPZYDM-HTQZYQBOSA-N	-1	0	273.279	1.807	40	0		CDABRM
Cc1nnc(SC(=Cc2cccnc2)C(=O)[O-])[nH]1	ZINC000006328696	348730562	/nfs/dbraw/zinc/73/05/62/348730562.db2.gz	SAOFTNRBBHXTSR-UITAMQMPSA-N	-1	0	262.294	1.726	40	0		CDABRM
O=C([O-])c1nn(-c2ccccc2)nc1N1CCCC1	ZINC000256049307	350908744	/nfs/dbraw/zinc/90/87/44/350908744.db2.gz	ZGZWAHNUUQNWQU-UHFFFAOYSA-N	-1	0	258.281	1.566	40	0		CDABRM
O=C([O-])CCC(=O)N1CCC[C@H]1CCc1ccncc1	ZINC000257271517	304044580	/nfs/dbraw/zinc/04/45/80/304044580.db2.gz	MYQIWBJFRYZMAT-ZDUSSCGKSA-N	-1	0	276.336	1.870	40	0		CDABRM
O=S(=O)([O-])[C@H](O)Cc1cccc2ccccc21	ZINC000001621057	355942285	/nfs/dbraw/zinc/94/22/85/355942285.db2.gz	YGGCPCSONUIMOX-LBPRGKRZSA-N	-1	0	252.291	1.589	40	0		CDABRM
Nc1c(Cl)cc(S(=O)(=O)[O-])cc1Br	ZINC000001555418	355939389	/nfs/dbraw/zinc/93/93/89/355939389.db2.gz	ZNVJPXRWVLMYKR-UHFFFAOYSA-N	-1	0	286.534	1.931	40	0		CDABRM
CCOc1ccccc1-c1nnc(CS(=O)(=O)[O-])o1	ZINC000408712121	356097140	/nfs/dbraw/zinc/09/71/40/356097140.db2.gz	LCJJXHNYVYSICU-UHFFFAOYSA-N	-1	0	284.293	1.523	40	0		CDABRM
CCN(CC)C(=O)[C@H]1CC(c2ccccc2O)=NO1	ZINC000012846329	356326871	/nfs/dbraw/zinc/32/68/71/356326871.db2.gz	HVYZUHACRGVICN-CYBMUJFWSA-N	-1	0	262.309	1.754	40	0		CDABRM
CCCCNS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1	ZINC000013074374	356337105	/nfs/dbraw/zinc/33/71/05/356337105.db2.gz	HEWGNXVVDAYJDF-UHFFFAOYSA-N	-1	0	275.301	1.602	40	0		CDABRM
CCCCCCNC(=O)Cn1cc(C(=O)[O-])cn1	ZINC000036615356	356409791	/nfs/dbraw/zinc/40/97/91/356409791.db2.gz	TWARWERZJKCDLA-UHFFFAOYSA-N	-1	0	253.302	1.278	40	0		CDABRM
CCn1nccc1-c1cc(C(=O)[O-])n2nccc2n1	ZINC000036615668	356409850	/nfs/dbraw/zinc/40/98/50/356409850.db2.gz	KNCOGBYXSATIFS-UHFFFAOYSA-N	-1	0	257.253	1.311	40	0		CDABRM
COc1cccc(N2C(=O)S[C@H](CC(=O)[O-])C2=O)c1	ZINC000036635208	356876272	/nfs/dbraw/zinc/87/62/72/356876272.db2.gz	FRCDBPKBDSYBEN-SECBINFHSA-N	-1	0	281.289	1.738	40	0		CDABRM
CCOc1ccccc1C[C@H](C(=O)[O-])N1CCOCC1	ZINC000041433964	357036242	/nfs/dbraw/zinc/03/62/42/357036242.db2.gz	TUPHESATIBXWSC-CYBMUJFWSA-N	-1	0	279.336	1.413	40	0		CDABRM
O=C([O-])[C@H](CC(=O)c1cccs1)N1CCOCC1	ZINC000082318106	358160037	/nfs/dbraw/zinc/16/00/37/358160037.db2.gz	KMAWCZABIIHIBX-VIFPVBQESA-N	-1	0	269.322	1.106	40	0		CDABRM
C[Si](C)(C)n1[nH][n-]c2c(=O)n(-c3ccccc3)c(=O)c1=2	ZINC000195770648	358325932	/nfs/dbraw/zinc/32/59/32/358325932.db2.gz	FAVFYPSADZQLKE-MNOVXSKESA-N	-1	0	288.383	1.815	40	0		CDABRM
CNc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)[O-]	ZINC000098141560	358814469	/nfs/dbraw/zinc/81/44/69/358814469.db2.gz	JUQAPNXOVGDXHH-UHFFFAOYSA-N	-1	0	286.353	1.503	40	0		CDABRM
COc1cccc(CNC(=O)N(C)C)c1C(=O)[O-]	ZINC000098174988	358815993	/nfs/dbraw/zinc/81/59/93/358815993.db2.gz	NQVAFGWGZBNZOW-UHFFFAOYSA-N	-1	0	252.270	1.165	40	0		CDABRM
O=C([O-])C1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1	ZINC000019279878	358957210	/nfs/dbraw/zinc/95/72/10/358957210.db2.gz	JTWBHAYZYFGQRB-ZDUSSCGKSA-N	-1	0	291.303	1.150	40	0		CDABRM
CO[C@@](C)(C(=O)Nc1ccc(OCC(=O)[O-])cc1)C1CC1	ZINC000225642955	359605333	/nfs/dbraw/zinc/60/53/33/359605333.db2.gz	LHQXEPYRKFCIOJ-OAHLLOKOSA-N	-1	0	293.319	1.904	40	0		CDABRM
CC(C)(O)[C@@]1(O)[C@H](O)C[C@@]2(C)CC=C(C(=O)[O-])CC[C@@H]21	ZINC000514288142	360123633	/nfs/dbraw/zinc/12/36/33/360123633.db2.gz	QUIVGWOGXNIYFU-DRABBMOASA-N	-1	0	284.352	1.070	40	0	biogenic,in-vitro	CDABRM
Cc1ncc(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)s1	ZINC000230090385	360238744	/nfs/dbraw/zinc/23/87/44/360238744.db2.gz	PJDDUJHLWOSTRP-MRVPVSSYSA-N	-1	0	292.382	1.229	40	0		CDABRM
COc1cc(C=O)ccc1OCCSCC(=O)[O-]	ZINC000013914530	361420108	/nfs/dbraw/zinc/42/01/08/361420108.db2.gz	YBHFXGONPMGUON-UHFFFAOYSA-N	-1	0	270.306	1.704	40	0		CDABRM
CC[C@H](C)[C@H](NC(=O)c1cnc2ccccc2n1)C(=O)[O-]	ZINC000001626852	364387309	/nfs/dbraw/zinc/38/73/09/364387309.db2.gz	KHTQXSYLIVGXIE-ZANVPECISA-N	-1	0	287.319	1.859	40	0		CDABRM
COCCOc1ccc(Br)nc1C(=O)[O-]	ZINC000218313495	365462282	/nfs/dbraw/zinc/46/22/82/365462282.db2.gz	WTOVCGRZRGINOY-UHFFFAOYSA-N	-1	0	276.086	1.568	40	0		CDABRM
Cc1nc(C(=O)N2C[C@@H](C(=O)[O-])Oc3ccccc32)co1	ZINC000225329386	189747050	/nfs/dbraw/zinc/74/70/50/189747050.db2.gz	XGCSXVXEOAAOFJ-LBPRGKRZSA-N	-1	0	288.259	1.475	40	0		CDABRM
O=C([O-])[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)NCc1ccncc1	ZINC000138955836	304155539	/nfs/dbraw/zinc/15/55/39/304155539.db2.gz	VPQWDGNJPXQZTL-QNWHQSFQSA-N	-1	0	272.304	1.221	40	0		CDABRM
CC[C@@H](C)N(CC(=O)[O-])C(=O)c1noc2c1CCCC2	ZINC000225495428	374548815	/nfs/dbraw/zinc/54/88/15/374548815.db2.gz	PZFXGJTVZMJXTP-SECBINFHSA-N	-1	0	280.324	1.879	40	0		CDABRM
Cc1cc(=O)[nH]c(N[C@H](Cc2ccccc2)C(=O)[O-])n1	ZINC000226823193	375400765	/nfs/dbraw/zinc/40/07/65/375400765.db2.gz	BZMSUPHAIWRXOK-LLVKDONJSA-N	-1	0	273.292	1.186	40	0		CDABRM
CC(C)c1ccccc1OCC(=O)NCCC(=O)[O-]	ZINC000001792752	375500903	/nfs/dbraw/zinc/50/09/03/375500903.db2.gz	CHJAYDYQOUQWNT-UHFFFAOYSA-N	-1	0	265.309	1.780	40	0		CDABRM
O=C([O-])Cn1cc(C(=O)Nc2ccc(F)cc2)ccc1=O	ZINC000257198138	190011033	/nfs/dbraw/zinc/01/10/33/190011033.db2.gz	UJJAZJBQRUJUBE-UHFFFAOYSA-N	-1	0	290.250	1.324	40	0		CDABRM
O=C([O-])c1ccc(=O)n(CCNc2ccccn2)c1	ZINC000257224111	190015503	/nfs/dbraw/zinc/01/55/03/190015503.db2.gz	FAJMERRQLHYBBD-UHFFFAOYSA-N	-1	0	259.265	1.054	40	0		CDABRM
CN(C)Cc1ncc(-c2ccccc2C(=O)[O-])cn1	ZINC000257279772	190025182	/nfs/dbraw/zinc/02/51/82/190025182.db2.gz	OICVEXZZCLVPEN-UHFFFAOYSA-N	-1	0	257.293	1.903	40	0		CDABRM
CCS(=O)(=O)[C@@H]1[C@@H](C(=O)[O-])[C@@H]1c1cccc(Cl)c1	ZINC000218374450	375820981	/nfs/dbraw/zinc/82/09/81/375820981.db2.gz	STHHUKPIHANDDI-DCAQKATOSA-N	-1	0	288.752	1.941	40	0		CDABRM
COC[C@@]1(C(=O)[O-])[C@H](c2ccc(C)cc2)[C@@H]1S(C)(=O)=O	ZINC000218372360	375821106	/nfs/dbraw/zinc/82/11/06/375821106.db2.gz	JMQCFGHSOQXXMD-MBNYWOFBSA-N	-1	0	298.360	1.223	40	0		CDABRM
O=C1[N-]C(=O)/C(=C\c2cc(Br)ccc2O)N1	ZINC000101404983	284858312	/nfs/dbraw/zinc/85/83/12/284858312.db2.gz	ONMVOZLGRZYZPP-QPJJXVBHSA-N	-1	0	283.081	1.335	40	0		CDABRM
O=C([O-])c1ccc(Br)c(-n2cnnc2)c1	ZINC000070461721	304232921	/nfs/dbraw/zinc/23/29/21/304232921.db2.gz	DQCBZCUMTIIICZ-UHFFFAOYSA-N	-1	0	268.070	1.728	40	0		CDABRM
O=C([O-])c1ccc2c(c1)[nH]c(=O)n(C1CCCC1)c2=O	ZINC000070460539	304253674	/nfs/dbraw/zinc/25/36/74/304253674.db2.gz	PNHTYVWELVRPTP-UHFFFAOYSA-N	-1	0	274.276	1.503	40	0		CDABRM
CCc1ccc([C@@H]2[C@H](C(=O)[O-])[C@H]2S(C)(=O)=O)cc1	ZINC000252515650	256689163	/nfs/dbraw/zinc/68/91/63/256689163.db2.gz	MJYNCRFVIOEMOU-WOPDTQHZSA-N	-1	0	268.334	1.460	40	0		CDABRM
CCOc1ccc([C@@H]2COC(=O)[C@H]2C(=O)[O-])cc1	ZINC000242701464	390413229	/nfs/dbraw/zinc/41/32/29/390413229.db2.gz	WETDYNSLVQALKU-WDEREUQCSA-N	-1	0	250.250	1.427	40	0		CDABRM
C[C@H](Oc1cccc(CS(C)(=O)=O)c1)C(=O)[O-]	ZINC000096509673	390531058	/nfs/dbraw/zinc/53/10/58/390531058.db2.gz	POUADWQGXOIYOS-QMMMGPOBSA-N	-1	0	258.295	1.083	40	0		CDABRM
CCCn1cc([C@@H]2[C@@H](C(=O)[O-])CCC(=O)N2C)cn1	ZINC000096515707	390533217	/nfs/dbraw/zinc/53/32/17/390533217.db2.gz	FRMNCPAELBJXCG-CMPLNLGQSA-N	-1	0	265.313	1.287	40	0		CDABRM
COc1ccc(C2=NO[C@@](C)(C(=O)[O-])C2)c(OC)c1	ZINC000071981048	390542793	/nfs/dbraw/zinc/54/27/93/390542793.db2.gz	IXNSBTZNLYBYQH-CYBMUJFWSA-N	-1	0	265.265	1.672	40	0		CDABRM
Cc1ccc(C(=O)c2c3n(c(=O)cc2C(=O)[O-])CCN3)cc1	ZINC000103584686	393011383	/nfs/dbraw/zinc/01/13/83/393011383.db2.gz	BSVJOLLTEVRUGC-UHFFFAOYSA-N	-1	0	298.298	1.511	40	0		CDABRM
COC(=O)c1cccc(C(=O)[O-])c1Br	ZINC000095933569	292018981	/nfs/dbraw/zinc/01/89/81/292018981.db2.gz	SXKVNQHLHKDJJF-UHFFFAOYSA-N	-1	0	259.055	1.934	40	0		CDABRM
CCC1(S(=O)(=O)[N-]C(=O)[C@H]2CCC[C@H](OC)C2)CC1	ZINC000408502071	160792414	/nfs/dbraw/zinc/79/24/14/160792414.db2.gz	YYJPCMCAWSYCCX-QWRGUYRKSA-N	-1	0	289.397	1.580	40	0		CDABRM
O=C([O-])CCC(=O)Nc1ccn(Cc2cccc(F)c2)n1	ZINC000002733099	169823049	/nfs/dbraw/zinc/82/30/49/169823049.db2.gz	BUALKKMLSKZBIZ-UHFFFAOYSA-N	-1	0	291.282	1.874	40	0		CDABRM
CC1(C)SC[C@H](COC(=O)NCC(=O)[O-])S1	ZINC000005415470	170096492	/nfs/dbraw/zinc/09/64/92/170096492.db2.gz	IXYURJGFQFRDBW-LURJTMIESA-N	-1	0	265.356	1.382	40	0		CDABRM
O=C([O-])c1nccnc1C(=O)Nc1ccccc1F	ZINC000006737367	170236557	/nfs/dbraw/zinc/23/65/57/170236557.db2.gz	LOQYMQXPOCCJPE-UHFFFAOYSA-N	-1	0	261.212	1.566	40	0		CDABRM
COCC(=O)Nc1ccccc1SCC(=O)[O-]	ZINC000008732941	170351548	/nfs/dbraw/zinc/35/15/48/170351548.db2.gz	HBSZGPZYFDGHGQ-UHFFFAOYSA-N	-1	0	255.295	1.448	40	0		CDABRM
CC(C)(C)C(=O)NC(=S)Nc1ccc(O)c(C(=O)[O-])c1	ZINC000020151413	171037539	/nfs/dbraw/zinc/03/75/39/171037539.db2.gz	BGRJKCCJXVRTDB-UHFFFAOYSA-N	-1	0	296.348	1.950	40	0		CDABRM
Cc1[nH]c(=O)n(-c2cccc(Cl)c2)c(=O)c1CC(=O)[O-]	ZINC000020156485	171039294	/nfs/dbraw/zinc/03/92/94/171039294.db2.gz	HEHZLJPTAFJFTE-UHFFFAOYSA-N	-1	0	294.694	1.115	40	0		CDABRM
CCN1C(=O)C[C@H](C(=O)[O-])[C@@H]1c1ccc(OC)cc1	ZINC000022129940	171354712	/nfs/dbraw/zinc/35/47/12/171354712.db2.gz	KWBZJFGNEJPPKS-AAEUAGOBSA-N	-1	0	263.293	1.689	40	0		CDABRM
CC(C)(O)C1=CC[C@]23CO[C@H](C2)[C@@](O)(C(=O)[O-])CC[C@H]13	ZINC000035456885	172206560	/nfs/dbraw/zinc/20/65/60/172206560.db2.gz	LKOCXGZSSYQSLN-YIKOMLBNSA-N	-1	0	282.336	1.088	40	0	biogenic,in-vitro	CDABRM
O=C([O-])[C@H]1C[C@@H](Nc2ccc(C(F)(F)F)nn2)[C@@H](O)C1	ZINC000662898063	413675232	/nfs/dbraw/zinc/67/52/32/413675232.db2.gz	RFROXGLFKHHPMC-XVMARJQXSA-N	-1	0	291.229	1.131	40	0		CDABRM
CC(=O)N[C@@H](CC(=O)[O-])c1ccc2c(c1)OCO2	ZINC000041308026	174516684	/nfs/dbraw/zinc/51/66/84/174516684.db2.gz	TXNLGPXKANXTTM-VIFPVBQESA-N	-1	0	251.238	1.067	40	0		CDABRM
COC(=O)[C@]1(C(=O)[O-])C[C@H]1c1ccccc1OC	ZINC000072406695	176397782	/nfs/dbraw/zinc/39/77/82/176397782.db2.gz	BOAVDWYZKSYJAB-TVQRCGJNSA-N	-1	0	250.250	1.427	40	0		CDABRM
O=S(=O)([N-]c1cccnc1)c1ccc2c(c1)COC2	ZINC000078556701	177354472	/nfs/dbraw/zinc/35/44/72/177354472.db2.gz	HMTRXYDFUAMFPQ-UHFFFAOYSA-N	-1	0	276.317	1.913	40	0		CDABRM
CC(=O)NC(=S)Nc1ccc(CC(=O)[O-])cc1	ZINC000020151222	278078134	/nfs/dbraw/zinc/07/81/34/278078134.db2.gz	PIUZRKAMDQBACZ-UHFFFAOYSA-N	-1	0	252.295	1.147	40	0		CDABRM
CCc1ccc(N2C[C@]34C=C[C@H](O3)[C@H](C(=O)[O-])[C@@H]4C2=O)cc1	ZINC000000533574	288540065	/nfs/dbraw/zinc/54/00/65/288540065.db2.gz	BNIHANGYWGPWGD-ZJOBFFGXSA-N	-1	0	299.326	1.620	40	0		CDABRM
Cc1cc(C(=O)N([C@@H](C)C(=O)[O-])C2CC2)oc1C	ZINC000561736830	293101129	/nfs/dbraw/zinc/10/11/29/293101129.db2.gz	ZLYUYGFUKCZSIG-QMMMGPOBSA-N	-1	0	251.282	1.974	40	0		CDABRM
Cc1nnc(N2CCC(C(=O)[O-])CC2)c2cccn21	ZINC000096517289	302813778	/nfs/dbraw/zinc/81/37/78/302813778.db2.gz	NUWIVQOJNAQGTO-UHFFFAOYSA-N	-1	0	260.297	1.339	40	0		CDABRM
Cc1c(I)cnn1[C@H](C)C(=O)[O-]	ZINC000006254843	326818077	/nfs/dbraw/zinc/81/80/77/326818077.db2.gz	FTMKFOFPKCJESV-RXMQYKEDSA-N	-1	0	280.065	1.442	40	0		CDABRM
Cn1cnc2c1ncnc2N1CCC[C@@H](CCC(=O)[O-])C1	ZINC000871867081	682594095	/nfs/dbraw/zinc/59/40/95/682594095.db2.gz	ALZFEHUOADPEIU-JTQLQIEISA-N	-1	0	289.339	1.445	40	0		CDABRM
CCCOC(=O)c1ccc(OS(=O)(=O)[O-])cc1	ZINC000110906744	1164372763	/nfs/dbraw/zinc/37/27/63/1164372763.db2.gz	WEKBGFBWJOHXKR-UHFFFAOYSA-N	-1	0	260.267	1.435	40	0	in-vitro	CDABRM
O=C([O-])c1cc(NC(=O)C[C@H]2CCOC2)ccn1	ZINC000401267208	940866307	/nfs/dbraw/zinc/86/63/07/940866307.db2.gz	RRUOGFUEBVQJNS-MRVPVSSYSA-N	-1	0	250.254	1.145	40	0		CDABRM
Cc1c[nH]c([C@H]2CCCN2C(=O)CCC(=O)[O-])n1	ZINC000205683636	342572497	/nfs/dbraw/zinc/57/24/97/342572497.db2.gz	IAYWQTAMCCQUQT-SECBINFHSA-N	-1	0	251.286	1.246	40	0		CDABRM
CCn1cnc2c1[C@H](C(=O)[O-])CN(C(=O)c1ccoc1)C2	ZINC000096067841	185085950	/nfs/dbraw/zinc/08/59/50/185085950.db2.gz	BWXYDYOJJFEDIW-SNVBAGLBSA-N	-1	0	289.291	1.320	40	0		CDABRM
C[C@@H](NC(=O)c1cn[nH]n1)c1ccc2c(c1)OCCO2	ZINC000108286062	186210649	/nfs/dbraw/zinc/21/06/49/186210649.db2.gz	FRZYNFZTCXQLFS-MRVPVSSYSA-N	-1	0	274.280	1.067	40	0		CDABRM
O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)c1cscn1	ZINC000062353764	363187474	/nfs/dbraw/zinc/18/74/74/363187474.db2.gz	WGTNEAAZNPKGNP-GFCCVEGCSA-N	-1	0	288.328	1.795	40	0		CDABRM
O=C([O-])CCCCn1cnc2c1nc[nH]c2=S	ZINC000001701753	355947905	/nfs/dbraw/zinc/94/79/05/355947905.db2.gz	HESBYUPLTBYGLR-UHFFFAOYSA-N	-1	0	252.299	1.744	40	0	in-vitro	CDABRM
COc1cccc(-c2nnc(CS(=O)(=O)[O-])o2)c1	ZINC000408712128	356097555	/nfs/dbraw/zinc/09/75/55/356097555.db2.gz	WUPGZAKEEJHPCC-UHFFFAOYSA-N	-1	0	270.266	1.133	40	0		CDABRM
CC(C)[C@H]1CCC(CO)=C[C@H]1/C=C(\CO)C(=O)[O-]	ZINC000015257896	356410652	/nfs/dbraw/zinc/41/06/52/356410652.db2.gz	SLVSUVFUFJKMCV-FTKQDORFSA-N	-1	0	254.326	1.591	40	0	biogenic,in-vitro	CDABRM
CO[C@@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)[O-]	ZINC000034171360	356810988	/nfs/dbraw/zinc/81/09/88/356810988.db2.gz	QUMPTEMSGZOMGE-ONGXEEELSA-N	-1	0	267.281	1.401	40	0		CDABRM
Cc1ccccc1OCc1nc(C)c(CC(=O)[O-])c(=O)[nH]1	ZINC000049468687	357216874	/nfs/dbraw/zinc/21/68/74/357216874.db2.gz	CQCUSQDSKAQNLN-UHFFFAOYSA-N	-1	0	288.303	1.593	40	0		CDABRM
O=C([O-])c1cnc(-c2cccc(Br)c2)[nH]c1=O	ZINC000050102989	357230145	/nfs/dbraw/zinc/23/01/45/357230145.db2.gz	PLCGEJBASYSXPK-UHFFFAOYSA-N	-1	0	295.092	1.898	40	0		CDABRM
Cc1nc2c(c(N3CCC(C(=O)[O-])CC3)n1)CCCC2	ZINC000096516876	357521555	/nfs/dbraw/zinc/52/15/55/357521555.db2.gz	QLWLRQBRKXIYKW-UHFFFAOYSA-N	-1	0	275.352	1.965	40	0		CDABRM
O=C([O-])C[C@@H]1COCCN1C(=O)Cc1ccc(F)c(F)c1	ZINC000129344477	358284071	/nfs/dbraw/zinc/28/40/71/358284071.db2.gz	CMZACPYAAAHDMH-SNVBAGLBSA-N	-1	0	299.273	1.209	40	0		CDABRM
Cc1nc(CC(=O)N2CCCCC2)ncc1C(=O)[O-]	ZINC000217354001	358994790	/nfs/dbraw/zinc/99/47/90/358994790.db2.gz	RIUABCSKDAVEJB-UHFFFAOYSA-N	-1	0	263.297	1.038	40	0		CDABRM
CCOC(=O)c1cc(C(=O)OCC)c(=S)[nH]c1[O-]	ZINC000000792101	359052942	/nfs/dbraw/zinc/05/29/42/359052942.db2.gz	LJCCBEAASSBLGC-UHFFFAOYSA-N	-1	0	271.294	1.803	40	0		CDABRM
O=C([O-])CN1CCN(c2ccc(Cl)cc2)C1=O	ZINC000075703154	359934002	/nfs/dbraw/zinc/93/40/02/359934002.db2.gz	QGAWPLBUIQFPLN-UHFFFAOYSA-N	-1	0	254.673	1.667	40	0		CDABRM
CC[C@@H]1C=CC[C@H]2C(=O)N(CCCC(=O)[O-])C(=O)[C@@H]21	ZINC000024102823	373912279	/nfs/dbraw/zinc/91/22/79/373912279.db2.gz	SLAQTBMRVJUFIJ-CKYFFXLPSA-N	-1	0	265.309	1.439	40	0		CDABRM
CCOc1cc(N2CCC[C@@H](C(=O)[O-])C2)ncn1	ZINC000079438836	374405445	/nfs/dbraw/zinc/40/54/45/374405445.db2.gz	IVISBZMPQWVVOU-SECBINFHSA-N	-1	0	251.286	1.176	40	0		CDABRM
CC(=O)N1CCC[C@@H](c2ccnc([N-]c3ncccn3)n2)C1	ZINC000257252649	190021089	/nfs/dbraw/zinc/02/10/89/190021089.db2.gz	JVOSBFSKEPHDAX-GFCCVEGCSA-N	-1	0	298.350	1.736	40	0		CDABRM
O=C([O-])[C@H]1CN[C@@H](c2cc3c(cc2Cl)OCO3)S1	ZINC000408976468	304199108	/nfs/dbraw/zinc/19/91/08/304199108.db2.gz	FSXLKURSWFYHNN-NXEZZACHSA-N	-1	0	287.724	1.857	40	0		CDABRM
COc1ccccc1[C@H]1[C@H](C(=O)[O-])CC(=O)N1C1CC1	ZINC000045922805	377157228	/nfs/dbraw/zinc/15/72/28/377157228.db2.gz	MNOSNVZQVKLBBU-RISCZKNCSA-N	-1	0	275.304	1.832	40	0		CDABRM
O=C([O-])[C@H]1[C@H]2C=C[C@]3(CN(C4CCCCC4)C(=O)[C@@H]13)O2	ZINC000006021899	304211573	/nfs/dbraw/zinc/21/15/73/304211573.db2.gz	SDOCVRCDRWCALS-NWJSVONSSA-N	-1	0	277.320	1.186	40	0		CDABRM
O=C([O-])c1cnc(-c2ccc(Br)cc2)[nH]c1=O	ZINC000050102993	304275102	/nfs/dbraw/zinc/27/51/02/304275102.db2.gz	SGHOKEJHOZGDIH-UHFFFAOYSA-N	-1	0	295.092	1.898	40	0		CDABRM
O=C([O-])c1nnc2cc(Br)ccc2c1O	ZINC000098180351	304282837	/nfs/dbraw/zinc/28/28/37/304282837.db2.gz	PHMYOFFFIRSGMY-UHFFFAOYSA-N	-1	0	269.054	1.384	40	0		CDABRM
O=C([O-])c1cn(-c2nccn3nc(C4CC4)cc23)cn1	ZINC000096517352	390532756	/nfs/dbraw/zinc/53/27/56/390532756.db2.gz	RBISUZUEAPILCV-UHFFFAOYSA-N	-1	0	269.264	1.491	40	0		CDABRM
CC[C@@H](C)n1cc(N2C[C@H](C(=O)[O-])CC2=O)cn1	ZINC000096528885	390539917	/nfs/dbraw/zinc/53/99/17/390539917.db2.gz	OBRXCGVVDQNAJW-RKDXNWHRSA-N	-1	0	251.286	1.292	40	0		CDABRM
Cc1cccc(Cn2nnc(C(=O)[O-])c2Cl)c1	ZINC000072220887	390622078	/nfs/dbraw/zinc/62/20/78/390622078.db2.gz	XPXRXPUWHQPNMV-UHFFFAOYSA-N	-1	0	251.673	1.986	40	0		CDABRM
Cc1nnnn1[C@@H](Cc1cccc(Cl)c1)C(=O)[O-]	ZINC000072221052	390622167	/nfs/dbraw/zinc/62/21/67/390622167.db2.gz	KAZBMHGAVWFSGP-JTQLQIEISA-N	-1	0	266.688	1.503	40	0		CDABRM
O=C([O-])c1ccc(N2CC[C@H](CNc3ccccn3)C2)nn1	ZINC000649388180	392156293	/nfs/dbraw/zinc/15/62/93/392156293.db2.gz	ZJUZBTRWELRPKD-LLVKDONJSA-N	-1	0	299.334	1.508	40	0		CDABRM
O=C([O-])CCC[NH2+]Cc1cn(CC(=O)[O-])c2ccccc12	ZINC000062717191	392803823	/nfs/dbraw/zinc/80/38/23/392803823.db2.gz	JKPWEXPCXDQYGB-UHFFFAOYSA-N	-1	0	290.319	1.680	40	0		CDABRM
C[C@H](CCCC(=O)Nc1nncs1)CC(=O)[O-]	ZINC000005002216	170053390	/nfs/dbraw/zinc/05/33/90/170053390.db2.gz	MIOIRZAEODGLEX-SSDOTTSWSA-N	-1	0	257.315	1.758	40	0		CDABRM
CC(=O)N[C@@H](CSC[C@H](O)c1ccccc1)C(=O)[O-]	ZINC000005167395	170073255	/nfs/dbraw/zinc/07/32/55/170073255.db2.gz	BHIBBNPGNZPUFZ-RYUDHWBXSA-N	-1	0	283.349	1.043	40	0	biogenic,in-vitro	CDABRM
O=C([O-])[C@@H]1[C@H](C(=O)NCc2cccnc2)[C@@H]2CC[C@H]1C2	ZINC000006715623	170231665	/nfs/dbraw/zinc/23/16/65/170231665.db2.gz	JSZGNPPTEGDQCN-XQHKEYJVSA-N	-1	0	274.320	1.445	40	0		CDABRM
O=C([O-])CCNC(=O)COc1ccc(Cl)cc1	ZINC000008039502	170315587	/nfs/dbraw/zinc/31/55/87/170315587.db2.gz	ISTAGULVXCWPMD-UHFFFAOYSA-N	-1	0	257.673	1.310	40	0		CDABRM
O=C([O-])CCCCCN1C(=O)C(Cl)=C(Cl)C1=O	ZINC000008554018	170339866	/nfs/dbraw/zinc/33/98/66/170339866.db2.gz	SHYVKKADSJOEDN-UHFFFAOYSA-N	-1	0	280.107	1.689	40	0		CDABRM
CCc1c(C)n(CC(=O)[O-])c2nc3ccccc3n2c1=O	ZINC000020798347	171272885	/nfs/dbraw/zinc/27/28/85/171272885.db2.gz	KOOJRWUCCLBPMU-UHFFFAOYSA-N	-1	0	285.303	1.605	40	0		CDABRM
Cc1ccc(S(=O)(=O)[N-]c2nnc[nH]2)c(C)c1	ZINC000032508834	171730519	/nfs/dbraw/zinc/73/05/19/171730519.db2.gz	KRQHZWUODZCHSE-UHFFFAOYSA-N	-1	0	252.299	1.222	40	0		CDABRM
COc1ccc([C@H](C)NC(=O)/C(C)=C\C(=O)[O-])cc1	ZINC000041125358	174489424	/nfs/dbraw/zinc/48/94/24/174489424.db2.gz	ZDVSMNIBMBVOST-QROTZFDESA-N	-1	0	263.293	1.903	40	0		CDABRM
COc1ccc2c(c1)C[C@@]1(CCC(=O)[C@@H](C(=O)[O-])C1)C2=O	ZINC000003851981	295261907	/nfs/dbraw/zinc/26/19/07/295261907.db2.gz	GZDUYUVOVVAPFU-BLLLJJGKSA-N	-1	0	288.299	1.874	40	0		CDABRM
COc1ncccc1-c1cc(=O)n2[n-]c(C)cc2n1	ZINC000019130118	295461116	/nfs/dbraw/zinc/46/11/16/295461116.db2.gz	QXMXLLHHEMXFOH-UHFFFAOYSA-N	-1	0	256.265	1.814	40	0		CDABRM
Cc1cc(-n2c(=O)cc([O-])[nH]c2=O)ccc1Br	ZINC000008549133	301330890	/nfs/dbraw/zinc/33/08/90/301330890.db2.gz	IDXHLDZMPUPGIZ-UHFFFAOYSA-N	-1	0	297.108	1.730	40	0		CDABRM
NC(=O)CC[C@@H](NC(=O)Nc1ccc(Cl)cc1)C(=O)[O-]	ZINC000005944914	303247240	/nfs/dbraw/zinc/24/72/40/303247240.db2.gz	LQWXCVOAVPOEGZ-SECBINFHSA-N	-1	0	299.714	1.180	40	0		CDABRM
Nc1nn(-c2ccc(Cl)c(Cl)c2)nc1C(=O)[O-]	ZINC000089263400	303506504	/nfs/dbraw/zinc/50/65/04/303506504.db2.gz	PSLLCLSGXGTFFR-UHFFFAOYSA-N	-1	0	273.079	1.855	40	0		CDABRM
COC(=O)c1cc(C(=O)[O-])n(Cc2ccccc2)n1	ZINC000575441369	329120055	/nfs/dbraw/zinc/12/00/55/329120055.db2.gz	HTZRCPVDPJOUQM-UHFFFAOYSA-N	-1	0	260.249	1.416	40	0		CDABRM
O=C([O-])c1cccn(CCc2cccc(F)c2)c1=O	ZINC000225791699	333182419	/nfs/dbraw/zinc/18/24/19/333182419.db2.gz	LCXKVOGYXVAWKR-UHFFFAOYSA-N	-1	0	261.252	1.928	40	0		CDABRM
O=C([O-])c1ccnc(NC(=O)[C@@H]2CCO[C@H]2C2CC2)c1	ZINC000902106504	618564008	/nfs/dbraw/zinc/56/40/08/618564008.db2.gz	XOUXUKUVKMZICZ-PWSUYJOCSA-N	-1	0	276.292	1.533	40	0		CDABRM
COC[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	ZINC000140040065	685098908	/nfs/dbraw/zinc/09/89/08/685098908.db2.gz	OHPUCEUCBHBIAW-BDAKNGLRSA-N	-1	0	259.302	1.343	40	0		CDABRM
Cc1cccc(NC(=O)C[N-]C(=O)C(F)(F)F)c1	ZINC000096582546	230386006	/nfs/dbraw/zinc/38/60/06/230386006.db2.gz	PWGPSMCEDQVWST-UHFFFAOYSA-N	-1	0	260.215	1.612	40	0		CDABRM
O=C([O-])[C@@H]1CCN(C(=O)c2n[nH]c3ccccc32)C1	ZINC000062117388	363001825	/nfs/dbraw/zinc/00/18/25/363001825.db2.gz	BBGXHYOVEXUWTC-MRVPVSSYSA-N	-1	0	259.265	1.110	40	0		CDABRM
O=C([O-])C(C(=O)[O-])(C1CCCC1)[NH+]1CCCCC1	ZINC000001562270	304027063	/nfs/dbraw/zinc/02/70/63/304027063.db2.gz	QGRMGWHPUDUUHA-UHFFFAOYSA-N	-1	0	255.314	1.571	40	0		CDABRM
O=C(Nc1ccc(S(=O)(=O)[O-])cc1)c1ccco1	ZINC000001674978	355945994	/nfs/dbraw/zinc/94/59/94/355945994.db2.gz	VVUXJUPEAZAYIK-UHFFFAOYSA-N	-1	0	267.262	1.779	40	0		CDABRM
CCC[C@@H](Sc1nc(N)nc2nc[nH]c21)C(=O)[O-]	ZINC000001671305	355946338	/nfs/dbraw/zinc/94/63/38/355946338.db2.gz	MWLGNPMKQJTFKH-RXMQYKEDSA-N	-1	0	267.314	1.281	40	0	in-vitro	CDABRM
O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)CF	ZINC000001768374	355951629	/nfs/dbraw/zinc/95/16/29/355951629.db2.gz	FBGZGXXZNGCUMC-NSHDSACASA-N	-1	0	264.256	1.249	40	0		CDABRM
Cc1ccccc1NC(=O)[C@@H]1[C@H]2C=C[C@H](O2)[C@@H]1C(=O)[O-]	ZINC000003851284	356010714	/nfs/dbraw/zinc/01/07/14/356010714.db2.gz	PMEGSDDUBJBKAT-XQHKEYJVSA-N	-1	0	273.288	1.588	40	0		CDABRM
CC(=O)N1N=C(NCCC(=O)[O-])S[C@@H]1c1cccnc1	ZINC000016139037	356432128	/nfs/dbraw/zinc/43/21/28/356432128.db2.gz	NVTUIGAFQGJKIO-LLVKDONJSA-N	-1	0	294.336	1.011	40	0		CDABRM
Cc1nc(C2CC2)cc(N2CCC[C@H](C(=O)[O-])C2)n1	ZINC000096516884	357522221	/nfs/dbraw/zinc/52/22/21/357522221.db2.gz	VODRUGDJXBEEDB-NSHDSACASA-N	-1	0	261.325	1.963	40	0		CDABRM
O=C([O-])CCc1cnc(Cc2ccccc2)[nH]c1=O	ZINC000211954993	358761858	/nfs/dbraw/zinc/76/18/58/358761858.db2.gz	CTRNAZYQMPQMNA-UHFFFAOYSA-N	-1	0	258.277	1.378	40	0		CDABRM
COc1ccc(Nc2n[n-]c3nc4[nH]ncc4c(=O)n23)cc1	ZINC000100750999	358835116	/nfs/dbraw/zinc/83/51/16/358835116.db2.gz	RYEFUJHTVSEOCN-UHFFFAOYSA-N	-1	0	297.278	1.046	40	0		CDABRM
Cc1nc(CC(=O)N(C)Cc2ccccc2)ncc1C(=O)[O-]	ZINC000217355476	358995359	/nfs/dbraw/zinc/99/53/59/358995359.db2.gz	YGSMIKKKAZKIOY-UHFFFAOYSA-N	-1	0	299.330	1.684	40	0		CDABRM
Cc1cccc(C)c1OCc1ncc(CC(=O)[O-])c(=O)[nH]1	ZINC000217386334	358998312	/nfs/dbraw/zinc/99/83/12/358998312.db2.gz	NBAFVUBTIIFPML-UHFFFAOYSA-N	-1	0	288.303	1.593	40	0		CDABRM
CCNS(=O)(=O)c1ccc(NC(C)C)c(C(=O)[O-])c1	ZINC000217537834	359007720	/nfs/dbraw/zinc/00/77/20/359007720.db2.gz	SBEYHIWPZPIBLG-UHFFFAOYSA-N	-1	0	286.353	1.503	40	0		CDABRM
CC(C)Sc1nnc([N-]S(C)(=O)=O)s1	ZINC000225044195	359546899	/nfs/dbraw/zinc/54/68/99/359546899.db2.gz	MRSDRGZFXXXFDE-UHFFFAOYSA-N	-1	0	253.374	1.410	40	0		CDABRM
CC(C)Cc1nnc2n1NC(CC(=O)[O-])=CS2	ZINC000011729760	360255102	/nfs/dbraw/zinc/25/51/02/360255102.db2.gz	MLIBSYKGIGZBGX-UHFFFAOYSA-N	-1	0	254.315	1.261	40	0		CDABRM
Cn1ccc([C@H]2N[C@@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)n1	ZINC000575410800	364762701	/nfs/dbraw/zinc/76/27/01/364762701.db2.gz	JGHGRTVWLWATPQ-UKRRQHHQSA-N	-1	0	296.330	1.590	40	0		CDABRM
CO[C@@H]1CC[C@@](NC(=O)OC(C)(C)C)(C(=O)[O-])C1	ZINC000199551216	189683676	/nfs/dbraw/zinc/68/36/76/189683676.db2.gz	QTVILWKSHUHYPB-PELKAZGASA-N	-1	0	259.302	1.533	40	0		CDABRM
COCCCNC(=S)Nc1cc(C(=O)[O-])ccc1OC	ZINC000225156298	189744554	/nfs/dbraw/zinc/74/45/54/189744554.db2.gz	FFOHIBCFEGTINA-UHFFFAOYSA-N	-1	0	298.364	1.716	40	0		CDABRM
Cc1ccc(Cn2nc3c(cc2=O)C[C@@H](C(=O)[O-])CC3)cc1	ZINC000217567016	375672591	/nfs/dbraw/zinc/67/25/91/375672591.db2.gz	LHSIOFGBBZPAAO-ZDUSSCGKSA-N	-1	0	298.342	1.790	40	0		CDABRM
Cc1noc([C@@H](C)NC(=O)c2ccccn2)c1C(=O)[O-]	ZINC000096297030	256792447	/nfs/dbraw/zinc/79/24/47/256792447.db2.gz	BICAWGLXYJZUIP-MRVPVSSYSA-N	-1	0	275.264	1.567	40	0	biogenic,in-vitro	CDABRM
CC(C)CCNS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1	ZINC000020014486	256809809	/nfs/dbraw/zinc/80/98/09/256809809.db2.gz	URTNYNPQAYOMMO-UHFFFAOYSA-N	-1	0	289.328	1.848	40	0		CDABRM
Cc1ccsc1S(=O)(=O)N(C)[C@@H](C)C(=O)[O-]	ZINC000261568632	140350095	/nfs/dbraw/zinc/35/00/95/140350095.db2.gz	FRFNXZZYSVUGJP-ZETCQYMHSA-N	-1	0	263.340	1.150	40	0		CDABRM
O=S(=O)([O-])[C@@H](O)Cc1cccc2ccccc21	ZINC000006584210	170215915	/nfs/dbraw/zinc/21/59/15/170215915.db2.gz	YGGCPCSONUIMOX-GFCCVEGCSA-N	-1	0	252.291	1.589	40	0		CDABRM
COc1ccc(/C=C(/NC(C)=O)C(=O)[O-])cc1OC	ZINC000006856712	170250225	/nfs/dbraw/zinc/25/02/25/170250225.db2.gz	XKBWCZHRAGGSAH-UXBLZVDNSA-N	-1	0	265.265	1.265	40	0		CDABRM
COc1ccccc1-c1cnn2c1nnc(C(=O)[O-])c2C	ZINC000020343098	171153418	/nfs/dbraw/zinc/15/34/18/171153418.db2.gz	UVKPTFNNGDAWRG-UHFFFAOYSA-N	-1	0	284.275	1.807	40	0		CDABRM
O=C([O-])[C@@H]1CCN(S(=O)(=O)N2CCC2)c2ccccc21	ZINC000656645598	413511828	/nfs/dbraw/zinc/51/18/28/413511828.db2.gz	PRQMLIRAFHKFPJ-LLVKDONJSA-N	-1	0	296.348	1.015	40	0		CDABRM
O=C([O-])[C@@H]1CC(=O)N(c2cccc(N3CCCC3)c2)C1	ZINC000045958202	175389347	/nfs/dbraw/zinc/38/93/47/175389347.db2.gz	VUCZHEHFVGFXRG-LLVKDONJSA-N	-1	0	274.320	1.724	40	0		CDABRM
O=C([O-])CSc1ncn(-c2ccccc2)c1CO	ZINC000072238872	176347162	/nfs/dbraw/zinc/34/71/62/176347162.db2.gz	BGRLXKSWZLOXBQ-UHFFFAOYSA-N	-1	0	264.306	1.541	40	0		CDABRM
COc1ccc(N2N=C(C(=O)[O-])CC2=O)cc1Cl	ZINC000076399938	177016424	/nfs/dbraw/zinc/01/64/24/177016424.db2.gz	OWSFACFPNXQEEB-UHFFFAOYSA-N	-1	0	268.656	1.938	40	0		CDABRM
O=S(=O)([N-]c1nccs1)c1ccc2c(c1)COC2	ZINC000078556685	177354156	/nfs/dbraw/zinc/35/41/56/177354156.db2.gz	PMKNXBZYCQISAN-UHFFFAOYSA-N	-1	0	282.346	1.974	40	0		CDABRM
COc1ccc(I)c(O)c1C(=O)[O-]	ZINC000196857971	260308178	/nfs/dbraw/zinc/30/81/78/260308178.db2.gz	UUGVZEULOVJPQD-UHFFFAOYSA-N	-1	0	294.044	1.704	40	0		CDABRM
COc1cccc2c(=O)c(Br)n[n-]c12	ZINC000117686362	277458618	/nfs/dbraw/zinc/45/86/18/277458618.db2.gz	LGOAFJGMPHDKFW-UHFFFAOYSA-N	-1	0	255.071	1.694	40	0		CDABRM
Cc1c([C@H](C)NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])cnn1C	ZINC000245224766	334185261	/nfs/dbraw/zinc/18/52/61/334185261.db2.gz	DEWUHCPZILOYTQ-MVWJERBFSA-N	-1	0	291.351	1.573	40	0		CDABRM
CC(C)(C)C(=O)NCC(=O)N1CCC(CCC(=O)[O-])CC1	ZINC000050922635	518572121	/nfs/dbraw/zinc/57/21/21/518572121.db2.gz	CTNLSIFYCKQSJT-UHFFFAOYSA-N	-1	0	298.383	1.252	40	0		CDABRM
C[C@@H]1C(=O)C[C@@H]2[C@H]3[C@H](O)C[C@H](C(=O)[O-])[C@]21CC3(C)C	ZINC000248335173	694059919	/nfs/dbraw/zinc/05/99/19/694059919.db2.gz	MNWVNHAXLQLPLU-RKODFDECSA-N	-1	0	266.337	1.709	40	0	biogenic,in-vitro	CDABRM
O=C([O-])[C@@H]1CC(c2cnc(CCc3ccccc3)nc2)=NO1	ZINC000226081517	1161355032	/nfs/dbraw/zinc/35/50/32/1161355032.db2.gz	SZTYXCNXQYGMRF-AWEZNQCLSA-N	-1	0	297.314	1.839	40	0		CDABRM
CC1(C)C[C@H]2C=C(C(=O)[O-])[C@@H]3C[C@H](O)[C@](C)(O)[C@@]32C1	ZINC000031162502	1165717258	/nfs/dbraw/zinc/71/72/58/1165717258.db2.gz	OMRLJECTMKPHFG-WMABBAGQSA-N	-1	0	266.337	1.565	40	0	biogenic,in-vitro	CDABRM
COc1cc(-c2ccc(=O)n(CC(=O)[O-])n2)ccc1F	ZINC001738810128	1184380558	/nfs/dbraw/zinc/38/05/58/1184380558.db2.gz	GWGNXEYWCZSSRI-UHFFFAOYSA-N	-1	0	278.239	1.143	40	0		CDABRM
CCO[C@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)[O-]	ZINC000040433958	342100626	/nfs/dbraw/zinc/10/06/26/342100626.db2.gz	DSLWCRVOGPJERI-ZYHUDNBSSA-N	-1	0	281.308	1.791	40	0		CDABRM
Cc1noc(C)c1C[C@H](C)C(=O)N1CCCC[C@@H]1C(=O)[O-]	ZINC000136535413	539097132	/nfs/dbraw/zinc/09/71/32/539097132.db2.gz	HCXPBHXJTJJOIT-TVQRCGJNSA-N	-1	0	294.351	1.936	40	0		CDABRM
CCOC(=O)c1c(SC)[n-]n2c1nc(C)cc2=O	ZINC000103584501	346368083	/nfs/dbraw/zinc/36/80/83/346368083.db2.gz	BJLDTULQQRCVRG-UHFFFAOYSA-N	-1	0	267.310	1.230	40	0		CDABRM
COc1ccc(CNC(=O)N(C)C)c(C(=O)[O-])c1	ZINC000098175012	185697622	/nfs/dbraw/zinc/69/76/22/185697622.db2.gz	ZNHFMWYPYASVBX-UHFFFAOYSA-N	-1	0	252.270	1.165	40	0		CDABRM
CC[C@@H]1CCc2ccccc2N1CC(=O)NCC(=O)[O-]	ZINC000262286519	362795328	/nfs/dbraw/zinc/79/53/28/362795328.db2.gz	XRHFBEOYXWDVKQ-GFCCVEGCSA-N	-1	0	276.336	1.419	40	0		CDABRM
CS(=O)(=O)c1ccc([C@H](C(=O)[O-])C(F)(F)F)cc1	ZINC000521825364	347717986	/nfs/dbraw/zinc/71/79/86/347717986.db2.gz	GXNQQLLSANQTIL-MRVPVSSYSA-N	-1	0	282.239	1.821	40	0		CDABRM
Cc1nn(CC(=O)[O-])c(C(F)F)c1Br	ZINC000006254011	348745252	/nfs/dbraw/zinc/74/52/52/348745252.db2.gz	SOYOHCCAUTVDRZ-UHFFFAOYSA-N	-1	0	269.045	1.976	40	0		CDABRM
Cc1ccc(CC(=O)NCCc2nc(C(=O)[O-])cs2)o1	ZINC000569784901	363059054	/nfs/dbraw/zinc/05/90/54/363059054.db2.gz	MJIOENPWAAQCPT-UHFFFAOYSA-N	-1	0	294.332	1.644	40	0		CDABRM
Cn1nccc1C(=O)NCC1(C(=O)[O-])CCCCC1	ZINC000137990434	187902226	/nfs/dbraw/zinc/90/22/26/187902226.db2.gz	FTXMCYNBRUMKFM-UHFFFAOYSA-N	-1	0	265.313	1.185	40	0		CDABRM
CCn1ccc([N-]S(=O)(=O)c2ccc(F)cc2)n1	ZINC000014248891	366140834	/nfs/dbraw/zinc/14/08/34/366140834.db2.gz	BSCCAFPXUYLHQD-UHFFFAOYSA-N	-1	0	269.301	1.843	40	0		CDABRM
Cc1ccc(S(=O)(=O)[N-]c2nsc(N)n2)cc1	ZINC000000264507	355900368	/nfs/dbraw/zinc/90/03/68/355900368.db2.gz	UBMNEXQQVNBMEU-UHFFFAOYSA-N	-1	0	270.339	1.230	40	0		CDABRM
O=C([O-])CCNc1ncc2c(n1)-c1ccccc1OC2	ZINC000001651211	355944562	/nfs/dbraw/zinc/94/45/62/355944562.db2.gz	LPWJVAXSPFRABS-UHFFFAOYSA-N	-1	0	271.276	1.923	40	0		CDABRM
O=C([O-])/C=C/C(=O)N1Cc2cc3ccccc3nc2C1	ZINC000001725942	355949933	/nfs/dbraw/zinc/94/99/33/355949933.db2.gz	XXDIMUGXFWMIEE-AATRIKPKSA-N	-1	0	268.272	1.718	40	0	in-vitro	CDABRM
Nc1ccc(S(=O)(=O)c2cc(O)ccc2[O-])cc1	ZINC000001760471	355951449	/nfs/dbraw/zinc/95/14/49/355951449.db2.gz	UOPFCBSLFZVUQM-UHFFFAOYSA-N	-1	0	265.290	1.513	40	0		CDABRM
CCn1ccc(CNC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])n1	ZINC000002732504	356103923	/nfs/dbraw/zinc/10/39/23/356103923.db2.gz	UOBISUMVBGGTCD-RYUDHWBXSA-N	-1	0	279.340	1.410	40	0		CDABRM
O=C(NC1C(=O)NC(=S)N=C1[O-])c1ccccc1F	ZINC000016957960	356449044	/nfs/dbraw/zinc/44/90/44/356449044.db2.gz	LJOBJFLOHLPMEN-UHFFFAOYSA-N	-1	0	281.268	1.942	40	0		CDABRM
C[C@@H](CO)n1[n-]c(-c2ccc(Cl)cc2F)cc1=O	ZINC000634617162	356579349	/nfs/dbraw/zinc/57/93/49/356579349.db2.gz	HRYXUCXQSGOCGT-ZETCQYMHSA-N	-1	0	270.691	1.796	40	0		CDABRM
CC[C@@H](C)NC(=O)COc1c(C)cccc1C(=O)[O-]	ZINC000037729616	356919366	/nfs/dbraw/zinc/91/93/66/356919366.db2.gz	SGFQEPKIHQVXDD-SNVBAGLBSA-N	-1	0	265.309	1.987	40	0		CDABRM
COc1cccc(C[C@@H](C(=O)[O-])N2CCOCC2)c1	ZINC000041380447	357033675	/nfs/dbraw/zinc/03/36/75/357033675.db2.gz	HPBPOTDMZKWNSY-ZDUSSCGKSA-N	-1	0	265.309	1.023	40	0		CDABRM
Cc1nc2c(c(N3CCC[C@@H](C(=O)[O-])C3)n1)CCCC2	ZINC000096516883	357522373	/nfs/dbraw/zinc/52/23/73/357522373.db2.gz	XWUIANZGTUCCCR-LLVKDONJSA-N	-1	0	275.352	1.965	40	0		CDABRM
Cc1cc2c(o1)c1cnn([C@H](C)C(=O)[O-])c(=O)c1n2C	ZINC000072373649	357830622	/nfs/dbraw/zinc/83/06/22/357830622.db2.gz	HTBSXIBBXDBJFF-SSDOTTSWSA-N	-1	0	275.264	1.435	40	0		CDABRM
COc1cccc(NC(=O)[C@H]2[C@H]3C=C[C@H](O3)[C@@H]2C(=O)[O-])c1	ZINC000004175184	358573330	/nfs/dbraw/zinc/57/33/30/358573330.db2.gz	UDBOPXKFAIRNQR-VOAKCMCISA-N	-1	0	289.287	1.288	40	0		CDABRM
O=C([O-])c1ccccc1NC(=O)C[C@@H]1CCS(=O)(=O)C1	ZINC000036870641	358616737	/nfs/dbraw/zinc/61/67/37/358616737.db2.gz	VQZUPCMLWNFQID-VIFPVBQESA-N	-1	0	297.332	1.148	40	0		CDABRM
O=C([O-])Cc1ccccc1OCCN1CCOCC1	ZINC000150186375	358742767	/nfs/dbraw/zinc/74/27/67/358742767.db2.gz	YCFNOBRNNRDSBF-UHFFFAOYSA-N	-1	0	265.309	1.025	40	0		CDABRM
COc1ccc(Cl)cc1C[C@H](C(=O)[O-])N1CCOCC1	ZINC000225149338	359552556	/nfs/dbraw/zinc/55/25/56/359552556.db2.gz	ZLZPOAMDKCRWQT-GFCCVEGCSA-N	-1	0	299.754	1.677	40	0		CDABRM
Nc1cc(-c2ncc(C(=O)[O-])c(=O)[nH]2)ccc1Cl	ZINC000225404224	359587082	/nfs/dbraw/zinc/58/70/82/359587082.db2.gz	KULYGBPFLPOLLT-UHFFFAOYSA-N	-1	0	265.656	1.371	40	0		CDABRM
CC1=C(C)C[C@H](C(=O)[N-]S(=O)(=O)c2ccnn2C)CC1	ZINC000408502633	359885272	/nfs/dbraw/zinc/88/52/72/359885272.db2.gz	SWBJCQYYWCNNJZ-LLVKDONJSA-N	-1	0	297.380	1.362	40	0		CDABRM
O=c1[nH]c(=O)c(Br)c(Cc2ccccc2)[nH]1	ZINC000001686105	364407496	/nfs/dbraw/zinc/40/74/96/364407496.db2.gz	SBFBXAVNDQFOFH-UHFFFAOYSA-N	-1	0	281.109	1.417	40	0		CDABRM
CCc1ccc([C@@H]2[C@H](C(=O)[O-])[C@@H]2S(=O)(=O)CC)cc1	ZINC000218396823	367180368	/nfs/dbraw/zinc/18/03/68/367180368.db2.gz	HJURKDHJIUTJKE-FRRDWIJNSA-N	-1	0	282.361	1.850	40	0		CDABRM
O=C([O-])/C=C/C(=O)N1CCC[C@H](C(F)(F)F)C1	ZINC000003864750	374273743	/nfs/dbraw/zinc/27/37/43/374273743.db2.gz	GJQYNPBSUHYCRY-SDLBARTOSA-N	-1	0	251.204	1.428	40	0		CDABRM
O=C([O-])C[C@@H](CC(=O)NC[C@@H]1CCCO1)c1ccccc1	ZINC000057604250	375538321	/nfs/dbraw/zinc/53/83/21/375538321.db2.gz	YLEVLXXTMUYRAR-KGLIPLIRSA-N	-1	0	291.347	1.930	40	0		CDABRM
CC[C@@H](NCc1cnc(SC)nc1)[P@@](=O)([O-])O	ZINC000218772834	375893667	/nfs/dbraw/zinc/89/36/67/375893667.db2.gz	LALNDOFEBCQDEM-QMMMGPOBSA-N	-1	0	277.286	1.202	40	0		CDABRM
O=C([O-])[C@H]1[C@@H](C(=O)Nc2ccc(F)cc2)[C@H]2C=C[C@@H]1O2	ZINC000225752335	304209840	/nfs/dbraw/zinc/20/98/40/304209840.db2.gz	HFFOVZSEJHRHBK-NOOOWODRSA-N	-1	0	277.251	1.418	40	0		CDABRM
[NH3+][C@H](Cc1cc(Cl)c([O-])c(Cl)c1)C(=O)[O-]	ZINC000001746050	377991037	/nfs/dbraw/zinc/99/10/37/377991037.db2.gz	MPHURJQUHZHALJ-SSDOTTSWSA-N	-1	0	250.081	1.653	40	0		CDABRM
CCS(=O)(=O)[C@@H]1[C@H](c2ccccc2)[C@]1(COC)C(=O)[O-]	ZINC000242425531	256699242	/nfs/dbraw/zinc/69/92/42/256699242.db2.gz	BNQDVPWQAXSPKA-SCRDCRAPSA-N	-1	0	298.360	1.305	40	0		CDABRM
COCc1cc(N2CC[C@@H](C(=O)[O-])C2)nc(C2CC2)n1	ZINC000096516972	390531576	/nfs/dbraw/zinc/53/15/76/390531576.db2.gz	YACFUKYQIBOZMD-SNVBAGLBSA-N	-1	0	277.324	1.411	40	0		CDABRM
CCCCn1c(=O)c(CC(=O)[O-])c(C)[nH]c1=S	ZINC000020156357	391349797	/nfs/dbraw/zinc/34/97/97/391349797.db2.gz	SGYAVUNBSXSJDE-UHFFFAOYSA-N	-1	0	256.327	1.642	40	0		CDABRM
CCS(=O)(=O)[C@@H]1[C@@H](C(=O)[O-])[C@H]1c1cccc(Cl)c1	ZINC000252516487	392798232	/nfs/dbraw/zinc/79/82/32/392798232.db2.gz	STHHUKPIHANDDI-VWYCJHECSA-N	-1	0	288.752	1.941	40	0		CDABRM
Cc1cc(C(=O)N[C@H](C)c2onc(C)c2C(=O)[O-])nn1C	ZINC000096297023	393174740	/nfs/dbraw/zinc/17/47/40/393174740.db2.gz	CVSAKVHIFGAHTG-MRVPVSSYSA-N	-1	0	292.295	1.214	40	0	biogenic,in-vitro	CDABRM
CCC(=C([O-])c1cccc(N)c1)S(=O)(=O)CC	ZINC000096518077	393189009	/nfs/dbraw/zinc/18/90/09/393189009.db2.gz	GCRMKKLYZQFVHP-NSHDSACASA-N	-1	0	255.339	1.665	40	0		CDABRM
COc1ccc(CNC(=O)[C@@H]2CCCOC2)cc1C(=O)[O-]	ZINC000345772203	152947439	/nfs/dbraw/zinc/94/74/39/152947439.db2.gz	HBKGHGIQSCUADI-LLVKDONJSA-N	-1	0	293.319	1.436	40	0		CDABRM
COc1cccc([C@@H]2N[C@@H](C(=O)[O-])Cc3[nH]cnc32)c1	ZINC000005817953	170143513	/nfs/dbraw/zinc/14/35/13/170143513.db2.gz	DDWQMCSPJFORRV-NEPJUHHUSA-N	-1	0	273.292	1.107	40	0		CDABRM
O=C([O-])[C@H]1[C@H]2C=C[C@H](CC2)[C@H]1C(=O)NCc1ccncc1	ZINC000006714178	170231398	/nfs/dbraw/zinc/23/13/98/170231398.db2.gz	XKEZKORDMGWVRH-RQJABVFESA-N	-1	0	286.331	1.611	40	0		CDABRM
COC(=O)c1cc(C(=O)OC)c2cccc(C(=O)[O-])c2n1	ZINC000016194079	170689891	/nfs/dbraw/zinc/68/98/91/170689891.db2.gz	CRUSPXXJBTTZBO-UHFFFAOYSA-N	-1	0	289.243	1.506	40	0		CDABRM
CC(=O)N[C@H](Cc1c[nH]c2cc(Cl)ccc12)C(=O)[O-]	ZINC000022047159	171350831	/nfs/dbraw/zinc/35/08/31/171350831.db2.gz	LCLMWFCLWYOLIO-GFCCVEGCSA-N	-1	0	280.711	1.953	40	0	in-vitro	CDABRM
CCOC(=O)C=C([O-])c1ccc(OC)c(OC)c1OC	ZINC000071792265	176263571	/nfs/dbraw/zinc/26/35/71/176263571.db2.gz	IEORXFCOYQQQQA-UHFFFAOYSA-N	-1	0	282.292	1.848	40	0		CDABRM
CCOC(=O)C1=NN(c2ccccc2)[C@](C)(C(=O)[O-])C1	ZINC000071979482	176307628	/nfs/dbraw/zinc/30/76/28/176307628.db2.gz	QGBAADFPPBGAOO-AWEZNQCLSA-N	-1	0	276.292	1.659	40	0		CDABRM
COc1ccc(C2=NO[C@](C)(C(=O)[O-])C2)cc1OC	ZINC000071980981	176307804	/nfs/dbraw/zinc/30/78/04/176307804.db2.gz	MARMYVJTFOWRCT-ZDUSSCGKSA-N	-1	0	265.265	1.672	40	0		CDABRM
COc1cc(C2=NO[C@@](C)(C(=O)[O-])C2)cc(OC)c1OC	ZINC000071981084	176307833	/nfs/dbraw/zinc/30/78/33/176307833.db2.gz	PFVNCSPMENPJIB-CQSZACIVSA-N	-1	0	295.291	1.680	40	0		CDABRM
Cc1nnc([N-]S(=O)(=O)c2cnn(C(C)C)c2)s1	ZINC000072239139	176347147	/nfs/dbraw/zinc/34/71/47/176347147.db2.gz	BAVNFEQABKLAGQ-UHFFFAOYSA-N	-1	0	287.370	1.425	40	0		CDABRM
O=C([O-])Cn1cc(NC(=O)[C@H]2CCc3ccccc3C2)cn1	ZINC000318690029	483310134	/nfs/dbraw/zinc/31/01/34/483310134.db2.gz	OVPOUGQBIQGTBZ-ZDUSSCGKSA-N	-1	0	299.330	1.711	40	0		CDABRM
O=C([O-])[C@H]1CS[C@H](Cc2ccccc2Cl)C(=O)N1	ZINC000062712097	526332617	/nfs/dbraw/zinc/33/26/17/526332617.db2.gz	DXARLDIXAASAJA-NXEZZACHSA-N	-1	0	285.752	1.567	40	0		CDABRM
CCOC(=O)[C@@H](CCC(=O)[O-])NC(=O)OC(C)(C)C	ZINC000071788057	568584511	/nfs/dbraw/zinc/58/45/11/568584511.db2.gz	LXQBXYDPJVHNPQ-MRVPVSSYSA-N	-1	0	275.301	1.308	40	0		CDABRM
CCc1occc1C(=O)NC1CC(CC(=O)[O-])C1	ZINC000718057138	725088996	/nfs/dbraw/zinc/08/89/96/725088996.db2.gz	HDQMMXUWCVLNAT-UHFFFAOYSA-N	-1	0	251.282	1.825	40	0		CDABRM
O=C([O-])CCCc1nn2c(nc3ccccc3c2=O)s1	ZINC000071328722	1171717252	/nfs/dbraw/zinc/71/72/52/1171717252.db2.gz	JVKRJTLYMMVXKD-UHFFFAOYSA-N	-1	0	289.316	1.712	40	0		CDABRM
Cn1nc(OC[C@@H]2CCCO2)c2ccc(C(=O)[O-])cc21	ZINC000225772355	230399737	/nfs/dbraw/zinc/39/97/37/230399737.db2.gz	CQFKDNGIWVHTRE-JTQLQIEISA-N	-1	0	276.292	1.829	40	0		CDABRM
O=S(=O)([N-]c1ccc(CO)cc1)C(F)(F)F	ZINC000082878927	178328888	/nfs/dbraw/zinc/32/88/88/178328888.db2.gz	NEIYATWLRCSARY-UHFFFAOYSA-N	-1	0	255.217	1.440	40	0		CDABRM
C[C@@H]1CC[C@@H](C(=O)[O-])[C@H](C)N1Cc1nnn(C(C)(C)C)n1	ZINC000685938890	539043208	/nfs/dbraw/zinc/04/32/08/539043208.db2.gz	YNTUUSUQYSZUJC-OUAUKWLOSA-N	-1	0	295.387	1.502	40	0		CDABRM
Cc1oc2ccc(Cl)cc2c(=O)c1-c1nnn[n-]1	ZINC000005749020	343974230	/nfs/dbraw/zinc/97/42/30/343974230.db2.gz	PEODQWDHNOYPAT-UHFFFAOYSA-N	-1	0	262.656	1.935	40	0		CDABRM
CC(=O)Nc1ccc(N)c2ccc(S(=O)(=O)[O-])cc12	ZINC000001669751	355946489	/nfs/dbraw/zinc/94/64/89/355946489.db2.gz	SDZUJERWLPSKII-UHFFFAOYSA-N	-1	0	280.305	1.627	40	0		CDABRM
C[C@@H]1[C@@H](C(=O)[O-])[NH2+][C@@H](c2ccc(Cl)cc2)[C@H]1C(=O)[O-]	ZINC000004203147	356022170	/nfs/dbraw/zinc/02/21/70/356022170.db2.gz	CWSJTEZWAJPIKN-JGBZZBSPSA-N	-1	0	283.711	1.774	40	0		CDABRM
CCO/C(=C\c1ccc(O)cc1O)c1n[n-]c(=N)s1	ZINC000408718334	356107360	/nfs/dbraw/zinc/10/73/60/356107360.db2.gz	KXCYNXDXAGPHFR-YHYXMXQVSA-N	-1	0	279.321	1.896	40	0		CDABRM
CCOc1ccc(C(=O)[O-])cc1S(=O)(=O)N1CCCC1	ZINC000408699445	356081914	/nfs/dbraw/zinc/08/19/14/356081914.db2.gz	WXJYUTFPUJQDSJ-UHFFFAOYSA-N	-1	0	299.348	1.568	40	0		CDABRM
O=C([O-])CCc1c(O)nc(Cc2ccccc2)[nH]c1=O	ZINC000016857253	356448658	/nfs/dbraw/zinc/44/86/58/356448658.db2.gz	CPZKTRZHORPUOR-UHFFFAOYSA-N	-1	0	274.276	1.084	40	0		CDABRM
Cc1ccc(OCc2ncc(CC(=O)[O-])c(=O)[nH]2)cc1	ZINC000049468613	357217656	/nfs/dbraw/zinc/21/76/56/357217656.db2.gz	XNUPXYZHYFUITP-UHFFFAOYSA-N	-1	0	274.276	1.284	40	0		CDABRM
CS(=O)(=O)Nc1ccc(C(=O)CCC(=O)[O-])cc1	ZINC000057336941	357355605	/nfs/dbraw/zinc/35/56/05/357355605.db2.gz	SJLUQBVGSCLNRB-UHFFFAOYSA-N	-1	0	271.294	1.106	40	0		CDABRM
COc1c(CNC(=O)N(C)C)cccc1C(=O)[O-]	ZINC000098175000	358816110	/nfs/dbraw/zinc/81/61/10/358816110.db2.gz	NJSGEOANSYRRED-UHFFFAOYSA-N	-1	0	252.270	1.165	40	0		CDABRM
COc1ccc(/C=C/C(=O)N[C@H](C)C(=O)[O-])c(OC)c1	ZINC000033441027	358808271	/nfs/dbraw/zinc/80/82/71/358808271.db2.gz	BYPIZOIQHDYXGG-VPIOIWJLSA-N	-1	0	279.292	1.306	40	0		CDABRM
CC(=O)c1ccccc1OCc1ncc(C(=O)[O-])c(=O)[nH]1	ZINC000217382429	358997448	/nfs/dbraw/zinc/99/74/48/358997448.db2.gz	DRWHRXGUAOTNRK-UHFFFAOYSA-N	-1	0	288.259	1.250	40	0		CDABRM
CCc1ccc(-n2nc(C(C)=O)cc(C(=O)[O-])c2=O)cc1	ZINC000225966011	359635856	/nfs/dbraw/zinc/63/58/56/359635856.db2.gz	CNWHTGVYIFIHMR-UHFFFAOYSA-N	-1	0	286.287	1.696	40	0		CDABRM
O=c1cc(NCCOc2ccc(Cl)cc2)[nH]c(=O)[nH]1	ZINC000041076628	359675092	/nfs/dbraw/zinc/67/50/92/359675092.db2.gz	CSONFCXQNILHCZ-UHFFFAOYSA-N	-1	0	281.699	1.208	40	0		CDABRM
COc1ccc(CN2CC[C@H](CC(=O)[O-])CC2=O)cc1	ZINC000575629072	372163405	/nfs/dbraw/zinc/16/34/05/372163405.db2.gz	VJAULVRJONZGBR-LBPRGKRZSA-N	-1	0	277.320	1.909	40	0		CDABRM
O=C([O-])C1(F)CN(C(=O)OCc2ccccc2)C1	ZINC000253189382	373650077	/nfs/dbraw/zinc/65/00/77/373650077.db2.gz	YPEXDEBGFOOVNI-UHFFFAOYSA-N	-1	0	253.229	1.432	40	0		CDABRM
COc1cnc([N-]S(=O)(=O)c2cccs2)nc1	ZINC000225632825	375173702	/nfs/dbraw/zinc/17/37/02/375173702.db2.gz	YOLAYEAXZLMQPU-UHFFFAOYSA-N	-1	0	271.323	1.348	40	0		CDABRM
Cc1ccc([C@H]2[C@@H](S(C)(=O)=O)[C@@H]2C(=O)[O-])cc1	ZINC000218337915	375816356	/nfs/dbraw/zinc/81/63/56/375816356.db2.gz	SKRNMGRKTHUUCP-GMTAPVOTSA-N	-1	0	254.307	1.206	40	0		CDABRM
COc1ncc([N-]S(=O)(=O)c2ccc(Cl)cc2)cn1	ZINC000224285547	376484524	/nfs/dbraw/zinc/48/45/24/376484524.db2.gz	PNUYSLALLCCDOQ-UHFFFAOYSA-N	-1	0	299.739	1.939	40	0		CDABRM
CO[C@H]1CC[C@H](NC(=O)c2cccc(C(=O)[O-])c2)C1	ZINC000261567225	377865885	/nfs/dbraw/zinc/86/58/85/377865885.db2.gz	IBJKVTHUSXLDOU-RYUDHWBXSA-N	-1	0	263.293	1.682	40	0		CDABRM
O=C([O-])[C@H]1[C@@H]2CC[C@H](C[C@H]1O)N2C(=O)c1ccccc1	ZINC000001698794	304210699	/nfs/dbraw/zinc/21/06/99/304210699.db2.gz	JIYKWRZGMZMKBT-XQHKEYJVSA-N	-1	0	275.304	1.125	40	0		CDABRM
O=C([O-])c1c(O)cccc1I	ZINC000097437897	304217740	/nfs/dbraw/zinc/21/77/40/304217740.db2.gz	KQINMSGNJAAGCQ-UHFFFAOYSA-N	-1	0	264.018	1.695	40	0		CDABRM
CCOc1ccc([C@H]2COC(=O)[C@H]2C(=O)[O-])cc1	ZINC000242701459	256697897	/nfs/dbraw/zinc/69/78/97/256697897.db2.gz	WETDYNSLVQALKU-GHMZBOCLSA-N	-1	0	250.250	1.427	40	0		CDABRM
O=C([O-])[C@H]1C[C@H](C(=O)[O-])[C@@H](c2ccc(Cl)cc2)[NH2+]1	ZINC000002528542	390143247	/nfs/dbraw/zinc/14/32/47/390143247.db2.gz	MMUGORBTGPYPOV-IVZWLZJFSA-N	-1	0	269.684	1.528	40	0		CDABRM
CS(=O)(=O)C(CO)=C([O-])c1ccc(Cl)cc1Cl	ZINC000096518768	390535193	/nfs/dbraw/zinc/53/51/93/390535193.db2.gz	MUZLASPFRORVAM-VIFPVBQESA-N	-1	0	297.159	1.582	40	0		CDABRM
COCCCn1c(=O)[n-]c(Cl)c(Cl)c1=O	ZINC000096524098	390537438	/nfs/dbraw/zinc/53/74/38/390537438.db2.gz	KEGBFVRMTZOYDM-UHFFFAOYSA-N	-1	0	253.085	1.292	40	0		CDABRM
Cc1ncn(Cc2ccc(C(=O)[O-])cc2)c(=O)c1C	ZINC000096531082	390541779	/nfs/dbraw/zinc/54/17/79/390541779.db2.gz	UPUKSBXJZCDKFP-UHFFFAOYSA-N	-1	0	258.277	1.607	40	0		CDABRM
O=c1cc(-c2c(F)cccc2Cl)[n-]n1CCO	ZINC000656472175	413312317	/nfs/dbraw/zinc/31/23/17/413312317.db2.gz	RMQNFCKHZFRIRQ-UHFFFAOYSA-N	-1	0	256.664	1.408	40	0		CDABRM
O=C([O-])[C@@H]1[C@@H](C(=O)Nc2ccccc2)[C@H]2C=C[C@@H]1O2	ZINC000003851281	169916757	/nfs/dbraw/zinc/91/67/57/169916757.db2.gz	JUSVTXVHDCYHIJ-RHYQMDGZSA-N	-1	0	259.261	1.279	40	0	in-vitro	CDABRM
O=C([O-])[C@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)NC[C@@H]1CCCO1	ZINC000004179813	169941310	/nfs/dbraw/zinc/94/13/10/169941310.db2.gz	QZJPDCZBYMDOCY-DGORSVRFSA-N	-1	0	267.325	1.029	40	0		CDABRM
O=C([O-])[C@@H]1[C@@H](C(=O)Nc2ccccc2Cl)[C@H]2C=C[C@@H]1O2	ZINC000005344687	170088219	/nfs/dbraw/zinc/08/82/19/170088219.db2.gz	ZMVQYLUXIYDAKS-RHYQMDGZSA-N	-1	0	293.706	1.933	40	0		CDABRM
O=C([O-])c1ccc(NC(=S)NC[C@@H]2CCCO2)cc1	ZINC000005448508	170100080	/nfs/dbraw/zinc/10/00/80/170100080.db2.gz	PPPKKEKYHHWGLU-NSHDSACASA-N	-1	0	280.349	1.850	40	0		CDABRM
CC[C@](C)(O)c1cn(-c2ccc(S(=O)(=O)[O-])cc2)nn1	ZINC000006002459	170167159	/nfs/dbraw/zinc/16/71/59/170167159.db2.gz	RSTNMSONLWMKME-LBPRGKRZSA-N	-1	0	297.336	1.132	40	0		CDABRM
NC(=O)c1ccc(NCc2ccc(C(=O)[O-])o2)cc1	ZINC000008702216	170346983	/nfs/dbraw/zinc/34/69/83/170346983.db2.gz	IXBWQODVUFKRTL-UHFFFAOYSA-N	-1	0	260.249	1.689	40	0		CDABRM
COc1ccc(C(C)=O)cc1NC(=O)CCC(=O)[O-]	ZINC000008732325	170351625	/nfs/dbraw/zinc/35/16/25/170351625.db2.gz	PKSKSFXAYDDNFO-UHFFFAOYSA-N	-1	0	265.265	1.701	40	0		CDABRM
CCC(=O)NC(=S)NCc1ccc(C(=O)[O-])cc1	ZINC000020151246	171037845	/nfs/dbraw/zinc/03/78/45/171037845.db2.gz	SZYZLITULNEMRS-UHFFFAOYSA-N	-1	0	266.322	1.286	40	0		CDABRM
CCCC(=O)NC(=S)Nc1ccc(CC(=O)[O-])cc1	ZINC000020151269	171037942	/nfs/dbraw/zinc/03/79/42/171037942.db2.gz	ZSBBZLPHAJGQQV-UHFFFAOYSA-N	-1	0	280.349	1.927	40	0		CDABRM
CCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-]	ZINC000021957529	171341769	/nfs/dbraw/zinc/34/17/69/171341769.db2.gz	XLKOSSLRLZFNRY-LBPRGKRZSA-N	-1	0	260.293	1.690	40	0		CDABRM
O=C([O-])[C@H](c1c(F)cccc1F)N1CCOCC1	ZINC000037359218	173149632	/nfs/dbraw/zinc/14/96/32/173149632.db2.gz	LGRXKFMJDQODLT-NSHDSACASA-N	-1	0	257.236	1.423	40	0		CDABRM
O=C([O-])CCc1nc(CCOc2ccccc2)no1	ZINC000078400908	177337500	/nfs/dbraw/zinc/33/75/00/177337500.db2.gz	AOOHNRVDTYSWPE-UHFFFAOYSA-N	-1	0	262.265	1.708	40	0		CDABRM
CN(C)c1ccncc1[N-]S(=O)(=O)c1ccccc1	ZINC000078556752	177354493	/nfs/dbraw/zinc/35/44/93/177354493.db2.gz	YGPIUQCTPAAIPR-UHFFFAOYSA-N	-1	0	277.349	1.948	40	0		CDABRM
CC(C)(C)OC(=O)N1CC(C(F)(F)C(=O)[O-])C1	ZINC000258131233	1166479098	/nfs/dbraw/zinc/47/90/98/1166479098.db2.gz	YNJIFLFCTIIZIN-UHFFFAOYSA-N	-1	0	251.229	1.573	40	0		CDABRM
CC(C)(C)OC(=O)N1C[C@@H](C(F)F)C[C@H]1C(=O)[O-]	ZINC000021987327	1174235632	/nfs/dbraw/zinc/23/56/32/1174235632.db2.gz	MYGMUZRVGABZMM-BQBZGAKWSA-N	-1	0	265.256	1.962	40	0		CDABRM
O=C([O-])[C@@H](C1CC1)n1nnc(-c2ccc3ncccc3c2)n1	ZINC001548451835	967503024	/nfs/dbraw/zinc/50/30/24/967503024.db2.gz	JPGJLXVVRWAIHG-CYBMUJFWSA-N	-1	0	295.302	1.924	40	0		CDABRM
CC(C)(C)[C@H](CC(=O)[O-])NS(=O)(=O)c1ccccc1	ZINC000136733992	361860554	/nfs/dbraw/zinc/86/05/54/361860554.db2.gz	DUENERYLQUCPBS-NSHDSACASA-N	-1	0	285.365	1.854	40	0		CDABRM
C[C@H](Cn1ccc(C(=O)OC(C)(C)C)n1)C(=O)[O-]	ZINC000408716025	365728039	/nfs/dbraw/zinc/72/80/39/365728039.db2.gz	ICIKPXLFTNPLFD-MRVPVSSYSA-N	-1	0	254.286	1.559	40	0		CDABRM
O=C([O-])[C@@H]1CN(C(=O)OCc2ccccc2)CCC1=O	ZINC000090693655	180026333	/nfs/dbraw/zinc/02/63/33/180026333.db2.gz	QGBXHUMXBHMBKL-LLVKDONJSA-N	-1	0	277.276	1.299	40	0		CDABRM
Cc1nn(C)c(C)c1C(=O)N1CCC(CC(=O)[O-])CC1	ZINC000110301480	186290380	/nfs/dbraw/zinc/29/03/80/186290380.db2.gz	XJBQBADGSOVQBP-UHFFFAOYSA-N	-1	0	279.340	1.364	40	0		CDABRM
O=C(Sc1n[nH]c(=O)[n-]c1=O)c1cccc2ccccc21	ZINC000000137842	355890600	/nfs/dbraw/zinc/89/06/00/355890600.db2.gz	HCLPJVXXMJTJFL-UHFFFAOYSA-N	-1	0	299.311	1.544	40	0		CDABRM
Cc1cc(C(=O)N2CCOC[C@H]2CC(=O)[O-])c(C)s1	ZINC000128260551	538673898	/nfs/dbraw/zinc/67/38/98/538673898.db2.gz	DNYKENUGGZDVEU-SNVBAGLBSA-N	-1	0	283.349	1.681	40	0		CDABRM
O=C([O-])c1cc(Cn2ccc(C(F)(F)F)n2)on1	ZINC000042416919	357066389	/nfs/dbraw/zinc/06/63/89/357066389.db2.gz	VJRBFUWDCQQTBM-UHFFFAOYSA-N	-1	0	261.159	1.636	40	0		CDABRM
COc1ccc(-c2ncc(CC(=O)[O-])c(=O)[nH]2)cc1OC	ZINC000049468587	357217206	/nfs/dbraw/zinc/21/72/06/357217206.db2.gz	KWECKKRYFKUWHO-UHFFFAOYSA-N	-1	0	290.275	1.081	40	0		CDABRM
Cc1ccc(OCc2nc(C)c(CC(=O)[O-])c(=O)[nH]2)cc1	ZINC000049468690	357217689	/nfs/dbraw/zinc/21/76/89/357217689.db2.gz	VGODSFXNODZKDB-UHFFFAOYSA-N	-1	0	288.303	1.593	40	0		CDABRM
O=C([O-])CC[C@]12CCC(=O)N1Cc1ccccc1C2=O	ZINC000005760262	304063787	/nfs/dbraw/zinc/06/37/87/304063787.db2.gz	UYURFQNAYBSTHE-HNNXBMFYSA-N	-1	0	273.288	1.609	40	0		CDABRM
COc1c(CCO)ccc(CCC(=O)[O-])c1OC	ZINC000073630326	357884412	/nfs/dbraw/zinc/88/44/12/357884412.db2.gz	DUKSIYHFADQTGA-UHFFFAOYSA-N	-1	0	254.282	1.256	40	0		CDABRM
O=C([O-])c1ccc(C[NH2+]CCN2CCCCC2)o1	ZINC000019797654	357915268	/nfs/dbraw/zinc/91/52/68/357915268.db2.gz	CNSYLNGYSHHMQQ-UHFFFAOYSA-N	-1	0	252.314	1.553	40	0		CDABRM
COc1ccc(Cc2ncc(CCC(=O)[O-])c(=O)[nH]2)cc1	ZINC000223446329	359426519	/nfs/dbraw/zinc/42/65/19/359426519.db2.gz	VNMFZLTUBNWFBI-UHFFFAOYSA-N	-1	0	288.303	1.387	40	0		CDABRM
CC[C@@H](C)NC(=O)c1sc([N-]S(C)(=O)=O)nc1C	ZINC000225876885	359627012	/nfs/dbraw/zinc/62/70/12/359627012.db2.gz	NXZAFSBICHJDLO-ZCFIWIBFSA-N	-1	0	291.398	1.351	40	0		CDABRM
COC(=O)/C(C)=C/C=C/C[C@@H](C)[C@@H](O)CC(=O)[O-]	ZINC000514288169	360123827	/nfs/dbraw/zinc/12/38/27/360123827.db2.gz	SJGQDRGIIKTZAH-PULHGADDSA-N	-1	0	256.298	1.524	40	0	biogenic,in-vitro	CDABRM
O=C1[N-]C(=O)/C(=C\c2cccn2-c2ccc(O)cc2)N1	ZINC000409050100	363871103	/nfs/dbraw/zinc/87/11/03/363871103.db2.gz	YUKNCGWOGPQPKS-XYOKQWHBSA-N	-1	0	269.260	1.363	40	0		CDABRM
CCOC(=S)[N-]S(=O)(=O)c1ccc(C)cc1	ZINC000255190703	364819651	/nfs/dbraw/zinc/81/96/51/364819651.db2.gz	YXFNEADVLONKPL-UHFFFAOYSA-N	-1	0	259.352	1.595	40	0		CDABRM
O=S(=O)([N-]c1nnc[nH]1)c1ccc(Cl)c(Cl)c1	ZINC000032610510	364960853	/nfs/dbraw/zinc/96/08/53/364960853.db2.gz	UWUMPCQUBQQWJP-UHFFFAOYSA-N	-1	0	293.135	1.912	40	0		CDABRM
CCNc1ccc(S(=O)(=O)NCC)cc1C(=O)[O-]	ZINC000217711630	189711567	/nfs/dbraw/zinc/71/15/67/189711567.db2.gz	PCUYMSLMJNNAJS-UHFFFAOYSA-N	-1	0	272.326	1.115	40	0		CDABRM
Cn1cc(-c2cnc(N3CCOCC3)nc2)cc1C(=O)[O-]	ZINC000106813059	367293502	/nfs/dbraw/zinc/29/35/02/367293502.db2.gz	QOGMFHUJPFXPEG-UHFFFAOYSA-N	-1	0	288.307	1.017	40	0		CDABRM
Cc1nnc2sc(-c3ccc(OCC(=O)[O-])cc3)nn12	ZINC000226298196	367364310	/nfs/dbraw/zinc/36/43/10/367364310.db2.gz	HMSFEGNEXAIORV-UHFFFAOYSA-N	-1	0	290.304	1.625	40	0		CDABRM
Cc1cccc(Cn2nc(C)cc(C(=O)[O-])c2=O)c1	ZINC000225961415	189768228	/nfs/dbraw/zinc/76/82/28/189768228.db2.gz	DPWWZGJRSOKFHM-UHFFFAOYSA-N	-1	0	258.277	1.607	40	0		CDABRM
O=C([O-])CNS(=O)(=O)c1ccc2c3c(cccc31)CC2	ZINC000226862329	189778943	/nfs/dbraw/zinc/77/89/43/189778943.db2.gz	GDZBLSKOIBITSF-UHFFFAOYSA-N	-1	0	291.328	1.301	40	0		CDABRM
O=C([O-])[C@@H]1CC[C@@H](C(=O)N2CCCCC2)N1C1CC1	ZINC000630676282	369683045	/nfs/dbraw/zinc/68/30/45/369683045.db2.gz	WBANOFBRHNQDRM-RYUDHWBXSA-N	-1	0	266.341	1.079	40	0		CDABRM
O=C([O-])[C@H](c1ccccc1Cl)N1CCOCC1	ZINC000008699027	304174289	/nfs/dbraw/zinc/17/42/89/304174289.db2.gz	WGXJWBKTYNGJGL-NSHDSACASA-N	-1	0	255.701	1.798	40	0		CDABRM
COc1ccsc1C(=O)N1CCOC[C@@H]1CC(=O)[O-]	ZINC000161422851	373696217	/nfs/dbraw/zinc/69/62/17/373696217.db2.gz	SLCFULGMXJBOTK-QMMMGPOBSA-N	-1	0	285.321	1.072	40	0		CDABRM
COc1cc(N2CCC[C@@H](C(=O)[O-])C2)nc(SC)n1	ZINC000079439533	374404854	/nfs/dbraw/zinc/40/48/54/374404854.db2.gz	RMFPYGXNWANQBF-MRVPVSSYSA-N	-1	0	283.353	1.508	40	0		CDABRM
O=C([O-])c1ccc(CN2CCOC[C@H]2c2cc[nH]n2)cc1	ZINC000257209794	190012287	/nfs/dbraw/zinc/01/22/87/190012287.db2.gz	BRXLBYRPZSOVCQ-AWEZNQCLSA-N	-1	0	287.319	1.681	40	0		CDABRM
COc1ccc(N2C(=O)N[C@@H](CC(=O)[O-])C2=O)cc1Cl	ZINC000218711515	375724341	/nfs/dbraw/zinc/72/43/41/375724341.db2.gz	VZPUCLBCLCZPGA-QMMMGPOBSA-N	-1	0	298.682	1.248	40	0		CDABRM
Cc1cc(C)cc([C@@H](NC(=O)c2ccnn2C)C(=O)[O-])c1	ZINC000263152599	190066517	/nfs/dbraw/zinc/06/65/17/190066517.db2.gz	UXUVLYPTARXWDK-CYBMUJFWSA-N	-1	0	287.319	1.593	40	0		CDABRM
COc1csc(C(=O)N2CCOC[C@@H]2CC(=O)[O-])c1	ZINC000161422576	377227120	/nfs/dbraw/zinc/22/71/20/377227120.db2.gz	OCAHDOAWUCAGNQ-QMMMGPOBSA-N	-1	0	285.321	1.072	40	0		CDABRM
Cc1ccn2c(c1)nc(O)c(C(=O)NCCC(C)C)c2=O	ZINC000164574507	378474354	/nfs/dbraw/zinc/47/43/54/378474354.db2.gz	OWKYLNOIHRENSN-UHFFFAOYSA-N	-1	0	289.335	1.484	40	0		CDABRM
O=C1[N-]C(=O)/C(=C\c2ccc(N3CCCCCC3)o2)N1	ZINC000409060232	296356320	/nfs/dbraw/zinc/35/63/20/296356320.db2.gz	YPJRQPMDAYHYQR-PKNBQFBNSA-N	-1	0	275.308	1.840	40	0		CDABRM
CCn1cc(-c2cc(C(=O)[O-])n3nccc3n2)cn1	ZINC000095098679	184944511	/nfs/dbraw/zinc/94/45/11/184944511.db2.gz	JZXFIVZVKIOOLV-UHFFFAOYSA-N	-1	0	257.253	1.311	40	0		CDABRM
CC[C@@H]1C=CC[C@@H]2C(=O)N(CCCC(=O)[O-])C(=O)[C@H]21	ZINC000245204315	390469051	/nfs/dbraw/zinc/46/90/51/390469051.db2.gz	SLAQTBMRVJUFIJ-SCVCMEIPSA-N	-1	0	265.309	1.439	40	0		CDABRM
O=C([O-])c1nc(C(F)(F)F)n(-c2ccccc2)n1	ZINC000096509520	390529972	/nfs/dbraw/zinc/52/99/72/390529972.db2.gz	IPWUYJGTOCXRKY-UHFFFAOYSA-N	-1	0	257.171	1.984	40	0		CDABRM
O=C([O-])CCc1nnc(COc2ccccc2F)o1	ZINC000032114331	391096532	/nfs/dbraw/zinc/09/65/32/391096532.db2.gz	JPNDKYIYRCNFJF-UHFFFAOYSA-N	-1	0	266.228	1.805	40	0		CDABRM
O=C([O-])c1ccc(N2CC[C@@H](CNc3ccccn3)C2)nn1	ZINC000649388181	392156459	/nfs/dbraw/zinc/15/64/59/392156459.db2.gz	ZJUZBTRWELRPKD-NSHDSACASA-N	-1	0	299.334	1.508	40	0		CDABRM
COc1cccc(CN2C(=O)CC[C@H]2C(=O)[O-])c1OC	ZINC000062709442	392801584	/nfs/dbraw/zinc/80/15/84/392801584.db2.gz	HOFDYWVKYYBZCD-JTQLQIEISA-N	-1	0	279.292	1.279	40	0		CDABRM
CC(C)c1cc(C(=O)[O-])nc(N2CCOCC2)n1	ZINC000032106134	134764735	/nfs/dbraw/zinc/76/47/35/134764735.db2.gz	MUYUCDWCYMPCOU-UHFFFAOYSA-N	-1	0	251.286	1.135	40	0		CDABRM
CCn1ccc(CNC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])n1	ZINC000002532702	169803837	/nfs/dbraw/zinc/80/38/37/169803837.db2.gz	UOBISUMVBGGTCD-NWDGAFQWSA-N	-1	0	279.340	1.410	40	0		CDABRM
C[C@@H](CCCC(=O)Nc1nncs1)CC(=O)[O-]	ZINC000005002215	170052927	/nfs/dbraw/zinc/05/29/27/170052927.db2.gz	MIOIRZAEODGLEX-ZETCQYMHSA-N	-1	0	257.315	1.758	40	0		CDABRM
O=C([O-])C[S@](=O)c1ccc(Br)cc1	ZINC000005080608	170064909	/nfs/dbraw/zinc/06/49/09/170064909.db2.gz	DETVCIDATZVWRX-CYBMUJFWSA-N	-1	0	263.112	1.641	40	0		CDABRM
CC1(C)SC[C@@H](COC(=O)NCC(=O)[O-])S1	ZINC000005415473	170096532	/nfs/dbraw/zinc/09/65/32/170096532.db2.gz	IXYURJGFQFRDBW-ZCFIWIBFSA-N	-1	0	265.356	1.382	40	0		CDABRM
COCc1cc(=O)c2c([n-]n(-c3ccc(F)cc3)c2=O)[nH]1	ZINC000008020791	170314030	/nfs/dbraw/zinc/31/40/30/170314030.db2.gz	OISNNZAOOYULNF-UHFFFAOYSA-N	-1	0	289.266	1.293	40	0		CDABRM
COc1cc(OC)c([C@H]2C[C@H]2C(=O)[O-])c(OC)c1	ZINC000037381130	173167867	/nfs/dbraw/zinc/16/78/67/173167867.db2.gz	OBSYFNQMPARXGE-DTWKUNHWSA-N	-1	0	252.266	1.901	40	0		CDABRM
CCOC(=O)C1=NN(c2ccc(F)cc2)[C@@H](C(=O)[O-])C1	ZINC000071979348	176307722	/nfs/dbraw/zinc/30/77/22/176307722.db2.gz	KSDNZJCWKWVQBQ-LLVKDONJSA-N	-1	0	280.255	1.408	40	0		CDABRM
CCOC(=O)C1=NN(c2cccc(OC)c2)[C@H](C(=O)[O-])C1	ZINC000071979423	176307851	/nfs/dbraw/zinc/30/78/51/176307851.db2.gz	PSJWUIGJJJRTAU-LBPRGKRZSA-N	-1	0	292.291	1.278	40	0		CDABRM
O=C([O-])[C@H](NC(=O)[C@H]1CCCOC1)c1ccccc1F	ZINC000678990258	483245090	/nfs/dbraw/zinc/24/50/90/483245090.db2.gz	TVZCJDHLKHNMLP-JOYOIKCWSA-N	-1	0	281.283	1.494	40	0		CDABRM
CCSc1nn2c([n-]1)nc(C(C)(C)C)cc2=O	ZINC000006665535	529260143	/nfs/dbraw/zinc/26/01/43/529260143.db2.gz	WUPMKRDLSJVNLS-UHFFFAOYSA-N	-1	0	252.343	1.827	40	0		CDABRM
CN1C(=O)CO[C@H](C(=O)[O-])[C@@H]1c1ccc(Cl)cc1	ZINC000070274382	1171656188	/nfs/dbraw/zinc/65/61/88/1171656188.db2.gz	CHLQKLCCRRCNGW-QWRGUYRKSA-N	-1	0	269.684	1.323	40	0		CDABRM
CC(C)(C)OC(=O)CCN1C(=O)c2cccc(O)c2C1=O	ZINC000095930107	185031828	/nfs/dbraw/zinc/03/18/28/185031828.db2.gz	TUKXVDFFJIRASR-UHFFFAOYSA-N	-1	0	291.303	1.720	40	0		CDABRM
CC[C@@H](C(=O)[O-])n1ccc(C(=O)OC(C)(C)C)n1	ZINC000408715682	365728853	/nfs/dbraw/zinc/72/88/53/365728853.db2.gz	CKVRKVHTLXCZHA-VIFPVBQESA-N	-1	0	254.286	1.874	40	0		CDABRM
Nc1nn(Cc2ccccc2Cl)cc1C(=O)[O-]	ZINC000408717199	365730413	/nfs/dbraw/zinc/73/04/13/365730413.db2.gz	WVSKORGHNOJAHR-UHFFFAOYSA-N	-1	0	251.673	1.696	40	0		CDABRM
C[C@@H]1C[C@H](C)CN(c2nsnc2OCC(=O)[O-])C1	ZINC000085394189	179049092	/nfs/dbraw/zinc/04/90/92/179049092.db2.gz	JOHLFVXBNFSJBL-OCAPTIKFSA-N	-1	0	271.342	1.484	40	0		CDABRM
COc1cc([C@H]2OC(=O)C[C@H]2C(=O)[O-])cc(OC)c1OC	ZINC000085394901	179049254	/nfs/dbraw/zinc/04/92/54/179049254.db2.gz	HNYDFNDVZVSIKI-PRHODGIISA-N	-1	0	296.275	1.401	40	0		CDABRM
Cc1cc(NC(=O)/C=C\C(=O)[O-])n(-c2ccccc2)n1	ZINC000108717908	186228177	/nfs/dbraw/zinc/22/81/77/186228177.db2.gz	NWDSSZXOSGSENR-FPLPWBNLSA-N	-1	0	271.276	1.760	40	0		CDABRM
O=C([O-])c1nn(-c2ccccc2F)nc1N1CCCC1	ZINC000256046898	350907923	/nfs/dbraw/zinc/90/79/23/350907923.db2.gz	ITVRKJLPUOCNOX-UHFFFAOYSA-N	-1	0	276.271	1.705	40	0		CDABRM
C[C@H]1[C@@H](C(=O)[O-])[NH2+][C@@H](c2ccc(Cl)cc2)[C@H]1C(=O)[O-]	ZINC000004203146	356022261	/nfs/dbraw/zinc/02/22/61/356022261.db2.gz	CWSJTEZWAJPIKN-LFRFXUESSA-N	-1	0	283.711	1.774	40	0		CDABRM
CCCN(CCC)C(=O)[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)[O-]	ZINC000004019403	283206160	/nfs/dbraw/zinc/20/61/60/283206160.db2.gz	CBLLLOOLSCFRGH-KXNHARMFSA-N	-1	0	269.341	1.513	40	0		CDABRM
O=C([O-])Cc1cnc(Cc2ccc(Cl)cc2)[nH]c1=O	ZINC000049468595	357217351	/nfs/dbraw/zinc/21/73/51/357217351.db2.gz	QNNLFTDFNTVBQG-UHFFFAOYSA-N	-1	0	278.695	1.641	40	0		CDABRM
O=C([O-])c1nn(-c2ccc(Cl)nn2)nc1Cl	ZINC000089262202	358399890	/nfs/dbraw/zinc/39/98/90/358399890.db2.gz	FWXDCMHVURXKSE-UHFFFAOYSA-N	-1	0	260.040	1.062	40	0		CDABRM
O=C([O-])[C@H]1Cc2[nH]cnc2[C@H](c2cc(F)ccc2F)N1	ZINC000096300039	358731361	/nfs/dbraw/zinc/73/13/61/358731361.db2.gz	ILPJNTPEYKASMG-MNOVXSKESA-N	-1	0	279.246	1.376	40	0		CDABRM
COc1ccc(/C=C/C(=O)N[C@H](C)C(=O)[O-])cc1OC	ZINC000033441025	358808309	/nfs/dbraw/zinc/80/83/09/358808309.db2.gz	DDHVYWHPHRIBIY-VPIOIWJLSA-N	-1	0	279.292	1.306	40	0		CDABRM
O=C([O-])c1cnc([N-]S(=O)(=O)c2ccc(F)cc2)nc1	ZINC000217381641	358997648	/nfs/dbraw/zinc/99/76/48/358997648.db2.gz	AAKSTFBATCAKLZ-UHFFFAOYSA-N	-1	0	297.267	1.115	40	0		CDABRM
CC[C@H]1C=CC[C@H]2C(=O)N(CCCC(=O)[O-])C(=O)[C@@H]21	ZINC000024102825	359277363	/nfs/dbraw/zinc/27/73/63/359277363.db2.gz	SLAQTBMRVJUFIJ-HOSYDEDBSA-N	-1	0	265.309	1.439	40	0		CDABRM
CC(=O)c1cc(C(=O)[O-])c(=O)n(-c2ccccc2F)n1	ZINC000225966059	359636327	/nfs/dbraw/zinc/63/63/27/359636327.db2.gz	NKPWIANXKWWNAW-UHFFFAOYSA-N	-1	0	276.223	1.272	40	0		CDABRM
CCN(C[C@@H]1CCCO1)C(=O)c1ccc(C(=O)[O-])c(C)n1	ZINC000048968909	360467258	/nfs/dbraw/zinc/46/72/58/360467258.db2.gz	ULRGDNUKWSDETR-NSHDSACASA-N	-1	0	292.335	1.729	40	0		CDABRM
O=C([O-])[C@@H]1C2CCC(CC2)[C@H]1C(=O)N[C@@H]1CCSC1=O	ZINC000017024287	304097659	/nfs/dbraw/zinc/09/76/59/304097659.db2.gz	SBGCWHCFBZJHPT-CUZJRPPFSA-N	-1	0	297.376	1.272	40	0		CDABRM
CCS(=O)(=O)[C@@H]1[C@@H](C(=O)[O-])[C@@H]1c1ccc(Cl)cc1	ZINC000218375810	366725158	/nfs/dbraw/zinc/72/51/58/366725158.db2.gz	KHOFEQXEGIVQQE-DCAQKATOSA-N	-1	0	288.752	1.941	40	0		CDABRM
Cc1cccc(-n2cccc2/C=C2/NC(=O)[N-]C2=O)c1	ZINC000409055594	363879420	/nfs/dbraw/zinc/87/94/20/363879420.db2.gz	JLPWOOADLGPDIJ-UKTHLTGXSA-N	-1	0	267.288	1.966	40	0		CDABRM
O=C([O-])CO[C@H]1CCN(C(=O)OCc2ccccc2)C1	ZINC000002577457	367127227	/nfs/dbraw/zinc/12/72/27/367127227.db2.gz	WMNUGIYBHVKFTM-LBPRGKRZSA-N	-1	0	279.292	1.499	40	0		CDABRM
O=C([O-])[C@H]1CCCN(C(=O)c2cnn(-c3ccccc3)c2)C1	ZINC000225007961	189742894	/nfs/dbraw/zinc/74/28/94/189742894.db2.gz	RCUGKOANZREYSX-LBPRGKRZSA-N	-1	0	299.330	1.809	40	0		CDABRM
COc1ccc(C(=O)N2CC[C@H](C(=O)[O-])C2)c(F)c1	ZINC000225946456	189767962	/nfs/dbraw/zinc/76/79/62/189767962.db2.gz	YOVFGIYMCBDWPX-QMMMGPOBSA-N	-1	0	267.256	1.381	40	0		CDABRM
Cn1c2ccccc2nc1[S@@](=O)C(F)(F)C(=O)[O-]	ZINC000217576356	375678469	/nfs/dbraw/zinc/67/84/69/375678469.db2.gz	XCFIWHZYFTUHFV-GOSISDBHSA-N	-1	0	274.248	1.358	40	0		CDABRM
O=C([O-])c1cnn(-c2ncccc2Br)n1	ZINC000089261668	304280114	/nfs/dbraw/zinc/28/01/14/304280114.db2.gz	XFYQWGCSQIYRKS-UHFFFAOYSA-N	-1	0	269.058	1.123	40	0		CDABRM
O=C([O-])c1cn(-c2cc(C(F)(F)F)nc3ncnn32)cn1	ZINC000096517338	390532636	/nfs/dbraw/zinc/53/26/36/390532636.db2.gz	GWZGYSQTRVVQIB-UHFFFAOYSA-N	-1	0	298.184	1.027	40	0		CDABRM
O=C([O-])c1nnc2ccc(Br)cc2c1O	ZINC000039206515	304285021	/nfs/dbraw/zinc/28/50/21/304285021.db2.gz	OWMJPOIYLPPJGE-UHFFFAOYSA-N	-1	0	269.054	1.796	40	0		CDABRM
CCOC(=O)C[C@]1(C)N[C@@H](C(=O)[O-])C(C)(C)S1	ZINC000001707337	285804540	/nfs/dbraw/zinc/80/45/40/285804540.db2.gz	MZUPUIOJKDNYMB-GZMMTYOYSA-N	-1	0	261.343	1.224	40	0		CDABRM
Cc1cc(S(=O)(=O)[N-]C(=O)[C@@H]2CC2(F)F)sc1C	ZINC000408496390	160790999	/nfs/dbraw/zinc/79/09/99/160790999.db2.gz	PMHFKIRIIYAIHM-ZETCQYMHSA-N	-1	0	295.332	1.825	40	0		CDABRM
O=C([O-])C1=C(C(=O)Nc2ccc(Cl)cc2)[C@H]2C=C[C@@H]1O2	ZINC000004726975	170006558	/nfs/dbraw/zinc/00/65/58/170006558.db2.gz	SYPJHQTVUMXLAM-ZJUUUORDSA-N	-1	0	291.690	1.997	40	0		CDABRM
O=C([O-])CN1C(=O)N/C(=C/c2ccc(Cl)cc2)C1=O	ZINC000005018725	170056114	/nfs/dbraw/zinc/05/61/14/170056114.db2.gz	FMCLHTJIAVFHAY-WEVVVXLNSA-N	-1	0	280.667	1.317	40	0		CDABRM
Cc1sc(C(N)=O)cc1S(=O)(=O)[N-]c1ccccc1	ZINC000006679883	170225925	/nfs/dbraw/zinc/22/59/25/170225925.db2.gz	YPIHDBISRQVOCS-UHFFFAOYSA-N	-1	0	296.373	1.956	40	0		CDABRM
O=C([O-])c1ccc(C[NH2+]Cc2ccc(C(=O)[O-])cc2)o1	ZINC000008729683	170350442	/nfs/dbraw/zinc/35/04/42/170350442.db2.gz	BJXZAYVMODCKQP-UHFFFAOYSA-N	-1	0	275.260	1.966	40	0		CDABRM
COc1cccc(Cn2cc(C(=O)[O-])ccc2=O)c1	ZINC000021505649	171307717	/nfs/dbraw/zinc/30/77/17/171307717.db2.gz	HEGQHOKLCWDNBR-UHFFFAOYSA-N	-1	0	259.261	1.603	40	0		CDABRM
CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1Cl	ZINC000021967619	171343806	/nfs/dbraw/zinc/34/38/06/171343806.db2.gz	WRODBKWQOSVKIG-UHFFFAOYSA-N	-1	0	298.147	1.942	40	0		CDABRM
CCOC(=O)C=C([O-])c1ccc(Br)nc1	ZINC000035633111	172315903	/nfs/dbraw/zinc/31/59/03/172315903.db2.gz	NBYNIFKREWJHNB-UHFFFAOYSA-N	-1	0	272.098	1.980	40	0		CDABRM
O=C(Cc1csc([N-]c2ncccn2)n1)NC1CC1	ZINC000044227699	175155139	/nfs/dbraw/zinc/15/51/39/175155139.db2.gz	NIJPGXRNCBULTR-UHFFFAOYSA-N	-1	0	275.337	1.498	40	0		CDABRM
CCN(CC)c1ccc(N2C[C@@H](C(=O)[O-])CC2=O)cc1	ZINC000057326525	175591712	/nfs/dbraw/zinc/59/17/12/175591712.db2.gz	TVIKBCRNMFEWKL-NSHDSACASA-N	-1	0	276.336	1.970	40	0		CDABRM
COc1ccc(S(=O)(=O)N2CCC=C(C(=O)[O-])C2)cc1	ZINC000072226950	176343415	/nfs/dbraw/zinc/34/34/15/176343415.db2.gz	QFIKZKSGQPJTKU-UHFFFAOYSA-N	-1	0	297.332	1.101	40	0		CDABRM
CCn1nc(C)cc1[N-]S(=O)(=O)c1cnn(C(C)C)c1	ZINC000072239143	176347040	/nfs/dbraw/zinc/34/70/40/176347040.db2.gz	OABZUUMDAAQLRE-UHFFFAOYSA-N	-1	0	297.384	1.790	40	0		CDABRM
O=C([O-])c1n[nH]c(C(F)F)c1I	ZINC000072339168	176370854	/nfs/dbraw/zinc/37/08/54/176370854.db2.gz	CTVYRVJFYVKEIE-UHFFFAOYSA-N	-1	0	287.991	1.650	40	0		CDABRM
COC(=O)c1ccc(S(=O)(=O)[N-]c2ccncc2)s1	ZINC000078773293	177385162	/nfs/dbraw/zinc/38/51/62/177385162.db2.gz	DESPIOOIAGMOND-UHFFFAOYSA-N	-1	0	298.345	1.731	40	0		CDABRM
O=C([O-])C[C@@H]1CCCCN1C(=O)c1ccnc(C2CC2)n1	ZINC000679394655	483357739	/nfs/dbraw/zinc/35/77/39/483357739.db2.gz	PYBLEKJODMBSAH-NSHDSACASA-N	-1	0	289.335	1.823	40	0		CDABRM
O=C([O-])c1c(N2CCOCC2)noc1-c1ccccc1	ZINC000950757421	731144906	/nfs/dbraw/zinc/14/49/06/731144906.db2.gz	AWCLMCDCNJVRQY-UHFFFAOYSA-N	-1	0	274.276	1.876	40	0		CDABRM
Cc1nn(C)cc1-c1ccc2c(C(=O)[O-])nn(C)c2n1	ZINC000238856057	361740387	/nfs/dbraw/zinc/74/03/87/361740387.db2.gz	UTBKGRCLVPHSHC-UHFFFAOYSA-N	-1	0	271.280	1.375	40	0		CDABRM
O=C([O-])[C@@H](CNC(=O)[C@H]1CCCCO1)CC1CC1	ZINC000405442290	345449649	/nfs/dbraw/zinc/44/96/49/345449649.db2.gz	VVXGVOUZTJWQBE-GHMZBOCLSA-N	-1	0	255.314	1.173	40	0		CDABRM
CCOc1cc([C@H]2OC(=O)C[C@H]2C(=O)[O-])ccc1O	ZINC000085394153	179048643	/nfs/dbraw/zinc/04/86/43/179048643.db2.gz	IKDFVECMMFRLKW-PRHODGIISA-N	-1	0	266.249	1.480	40	0		CDABRM
O=C([O-])c1csc(CNC(=O)CC[C@H]2CCCO2)n1	ZINC000090932612	180067018	/nfs/dbraw/zinc/06/70/18/180067018.db2.gz	ZMLBVSBATTVHTF-MRVPVSSYSA-N	-1	0	284.337	1.417	40	0		CDABRM
CC(C)(C)OC(=O)N1CC[C@H]2O[C@@H](C(=O)[O-])CC[C@H]21	ZINC000091303565	180130225	/nfs/dbraw/zinc/13/02/25/180130225.db2.gz	NUZRIMJKEIXVTQ-OPRDCNLKSA-N	-1	0	271.313	1.628	40	0		CDABRM
COc1ccccc1-n1nc(C(=O)[O-])c(N2CCCC2)n1	ZINC000256047356	350908066	/nfs/dbraw/zinc/90/80/66/350908066.db2.gz	MAVLCUAGVKUBQX-UHFFFAOYSA-N	-1	0	288.307	1.574	40	0		CDABRM
CCCCCCNC(=O)[C@@H]1[C@@H](C(=O)[O-])[C@H]2C=C[C@@H]1O2	ZINC000169619747	188662077	/nfs/dbraw/zinc/66/20/77/188662077.db2.gz	OINRSMJUULIMHA-USZNOCQGSA-N	-1	0	267.325	1.337	40	0		CDABRM
CC(=O)N[C@@H](Cc1cccc2ccccc21)C(=O)[O-]	ZINC000001571002	355940014	/nfs/dbraw/zinc/94/00/14/355940014.db2.gz	RGIWZNSMSXQWLY-AWEZNQCLSA-N	-1	0	257.289	1.972	40	0		CDABRM
NC(=O)c1ccccc1NC(=O)C1=C(C(=O)[O-])CCCC1	ZINC000001328093	355932130	/nfs/dbraw/zinc/93/21/30/355932130.db2.gz	ZROLKUGRRKERHX-UHFFFAOYSA-N	-1	0	288.303	1.679	40	0		CDABRM
CCOC(=O)c1ccc(N(CCC(=O)[O-])C(C)=O)cc1	ZINC000001695690	355948079	/nfs/dbraw/zinc/94/80/79/355948079.db2.gz	XICUBYXNKMRERR-UHFFFAOYSA-N	-1	0	279.292	1.691	40	0		CDABRM
Cc1cc(SCC(=O)N2CCOCC2)[nH]c(=S)n1	ZINC000016283649	356436104	/nfs/dbraw/zinc/43/61/04/356436104.db2.gz	ABRCUIXEAUGGAR-UHFFFAOYSA-N	-1	0	285.394	1.025	40	0		CDABRM
COCCc1ncc(C(=O)[O-])c(NCc2ccccc2)n1	ZINC000049469787	357217709	/nfs/dbraw/zinc/21/77/09/357217709.db2.gz	AZLNYOQZJVKYAJ-UHFFFAOYSA-N	-1	0	287.319	1.976	40	0		CDABRM
O=C([O-])NC[C@H](O)c1ccc(Br)cc1	ZINC000221798071	358100003	/nfs/dbraw/zinc/10/00/03/358100003.db2.gz	RHMRXGNZSLVMOC-QMMMGPOBSA-N	-1	0	260.087	1.750	40	0		CDABRM
O=C([O-])[C@@H]1[C@H](C(=O)Nc2nccs2)[C@@H]2CC[C@H]1C2	ZINC000003893773	358555905	/nfs/dbraw/zinc/55/59/05/358555905.db2.gz	RDPDUAPMZVKZPJ-XAVMHZPKSA-N	-1	0	266.322	1.829	40	0		CDABRM
COc1ccc(NC(=S)C2=C([O-])COC2=O)cc1	ZINC000100335915	358828039	/nfs/dbraw/zinc/82/80/39/358828039.db2.gz	NIMIDWGTEBSMNT-UHFFFAOYSA-N	-1	0	265.290	1.803	40	0		CDABRM
N[C@H]1C(=O)[C@@H]2CCCC[C@@H]2C(=O)C1=C([O-])c1ccccc1	ZINC000100488324	358831228	/nfs/dbraw/zinc/83/12/28/358831228.db2.gz	RLMCQGNTVUZGDZ-REWJHTLYSA-N	-1	0	285.343	1.771	40	0		CDABRM
O=C([O-])Cc1cnc(COc2ccc(F)cc2F)[nH]c1=O	ZINC000217388152	358998181	/nfs/dbraw/zinc/99/81/81/358998181.db2.gz	MKHJZTLAQXWOCV-UHFFFAOYSA-N	-1	0	296.229	1.254	40	0		CDABRM
O=C([O-])c1cc(S(=O)(=O)NC2CC2)ccc1NC1CC1	ZINC000217571554	359011080	/nfs/dbraw/zinc/01/10/80/359011080.db2.gz	LPUKPSVEGUGSKB-UHFFFAOYSA-N	-1	0	296.348	1.400	40	0		CDABRM
COc1ccc(/C=C/C(=O)N[C@@H](C)C(=O)[O-])cc1OC	ZINC000033441024	359332324	/nfs/dbraw/zinc/33/23/24/359332324.db2.gz	DDHVYWHPHRIBIY-IWGCBNPKSA-N	-1	0	279.292	1.306	40	0		CDABRM
C[C@@]12C=C[C@@H](O1)[C@@H](C(=O)[O-])[C@@H]2C(=O)NCc1ccccc1	ZINC000409379898	364074766	/nfs/dbraw/zinc/07/47/66/364074766.db2.gz	BCRNPJSVSXFVRU-JXFSHQFZSA-N	-1	0	287.315	1.347	40	0		CDABRM
CC[C@H](C)[C@@H](NC(=O)c1cnc2ccccc2n1)C(=O)[O-]	ZINC000001626854	364387182	/nfs/dbraw/zinc/38/71/82/364387182.db2.gz	KHTQXSYLIVGXIE-TVQRCGJNSA-N	-1	0	287.319	1.859	40	0		CDABRM
O=C([O-])/C=C/c1c(F)c(Cl)ccc1-n1cnnn1	ZINC000113917840	1172325225	/nfs/dbraw/zinc/32/52/25/1172325225.db2.gz	YSAIHMUQKYDLSZ-DAFODLJHSA-N	-1	0	268.635	1.553	40	0		CDABRM
C[C@]1(C(=O)[O-])CCN(C(=O)c2cccc3cn[nH]c32)C1	ZINC000237653229	373834460	/nfs/dbraw/zinc/83/44/60/373834460.db2.gz	CUIVWOXHOTWQIM-AWEZNQCLSA-N	-1	0	273.292	1.500	40	0		CDABRM
CCS(=O)(=O)[C@H]1[C@@H](C(=O)[O-])[C@@H]1c1ccc(OC)cc1	ZINC000218088140	375788031	/nfs/dbraw/zinc/78/80/31/375788031.db2.gz	PBCDZGYGBDQEOZ-SDDRHHMPSA-N	-1	0	284.333	1.297	40	0		CDABRM
CCCCn1nccc1NC(=O)c1cnc(C(=O)[O-])cn1	ZINC000647116916	390435713	/nfs/dbraw/zinc/43/57/13/390435713.db2.gz	SCDGZLOITVCTRB-UHFFFAOYSA-N	-1	0	289.295	1.424	40	0		CDABRM
CCOc1ccc([C@@H](C)n2cc(C(=O)[O-])nn2)cc1	ZINC000096510229	390531113	/nfs/dbraw/zinc/53/11/13/390531113.db2.gz	DHWGKPARCJKVCO-SECBINFHSA-N	-1	0	261.281	1.984	40	0		CDABRM
CCCCn1cc(N2C[C@@H](C(=O)[O-])CC2=O)cn1	ZINC000096515674	390531483	/nfs/dbraw/zinc/53/14/83/390531483.db2.gz	NCRVRHHAAXYFEP-VIFPVBQESA-N	-1	0	251.286	1.121	40	0		CDABRM
O=C([O-])c1nnn(Cc2ccccc2)c1-n1cccc1	ZINC000096517298	390532550	/nfs/dbraw/zinc/53/25/50/390532550.db2.gz	SPTLBARGCNMCRW-UHFFFAOYSA-N	-1	0	268.276	1.815	40	0		CDABRM
Cc1noc(-c2ccc(N3CC[C@@H](C(=O)[O-])C3)nc2)n1	ZINC000096516544	390534576	/nfs/dbraw/zinc/53/45/76/390534576.db2.gz	LAVBRYNLLHFKQL-SNVBAGLBSA-N	-1	0	274.280	1.351	40	0		CDABRM
CCCCCCn1cc(N2C[C@H](C(=O)[O-])CC2=O)cn1	ZINC000096528918	390539761	/nfs/dbraw/zinc/53/97/61/390539761.db2.gz	BHLYRGLEXCVWNO-LLVKDONJSA-N	-1	0	279.340	1.901	40	0		CDABRM
CCn1nccc1[C@@H](C)NC(=O)[C@H]1CCCC[C@@H]1C(=O)[O-]	ZINC000006635159	170220879	/nfs/dbraw/zinc/22/08/79/170220879.db2.gz	QEOBQTGKXWURIL-WOPDTQHZSA-N	-1	0	293.367	1.971	40	0		CDABRM
Cc1cccc(-n2c(=O)c(CC(=O)[O-])c[nH]c2=S)c1	ZINC000020156328	171039079	/nfs/dbraw/zinc/03/90/79/171039079.db2.gz	ZIVOTZKPYJPAMD-UHFFFAOYSA-N	-1	0	276.317	1.831	40	0		CDABRM
O=C([O-])CN1C(=O)[C@@H]2[C@H]3C[C@H](c4ccccc4)[C@H](C3)[C@H]2C1=O	ZINC000040451237	174266020	/nfs/dbraw/zinc/26/60/20/174266020.db2.gz	YOQALDVKHNGWCA-SZWZKDINSA-N	-1	0	299.326	1.496	40	0		CDABRM
Cn1nc(C(=O)[O-])cc1NC(=O)c1cccs1	ZINC000045928910	175386949	/nfs/dbraw/zinc/38/69/49/175386949.db2.gz	HBUNFRIRSHGXHC-UHFFFAOYSA-N	-1	0	251.267	1.432	40	0		CDABRM
CCN(CC[C@@H](O)S(=O)(=O)[O-])c1cccc(C)c1	ZINC000071404925	176155353	/nfs/dbraw/zinc/15/53/53/176155353.db2.gz	WFISNLDSQGVORH-LBPRGKRZSA-N	-1	0	273.354	1.418	40	0		CDABRM
CCOC(=O)C1=NN(c2ccccc2C)[C@@H](C(=O)[O-])C1	ZINC000071979198	176307866	/nfs/dbraw/zinc/30/78/66/176307866.db2.gz	LCKAWJQZBURCPA-GFCCVEGCSA-N	-1	0	276.292	1.577	40	0		CDABRM
O=C([O-])Cn1cc(COc2ccccc2F)nn1	ZINC000072220829	176342798	/nfs/dbraw/zinc/34/27/98/176342798.db2.gz	CQWFLINWBSBHSW-UHFFFAOYSA-N	-1	0	251.217	1.081	40	0		CDABRM
O=C([O-])CCCn1cc(I)cn1	ZINC000079903137	177579598	/nfs/dbraw/zinc/57/95/98/177579598.db2.gz	ZUKPOSWBSFLXIC-UHFFFAOYSA-N	-1	0	280.065	1.353	40	0		CDABRM
Nc1cc(C(=O)[O-])cc(Cl)c1N1CCOCC1	ZINC000070462619	303493682	/nfs/dbraw/zinc/49/36/82/303493682.db2.gz	BIVBHEVYAHKUCY-UHFFFAOYSA-N	-1	0	256.689	1.457	40	0		CDABRM
CCCC[C@H](NC(=O)Cc1c(C)noc1C)C(=O)[O-]	ZINC000035096008	528974198	/nfs/dbraw/zinc/97/41/98/528974198.db2.gz	SOYJLSYSVYEXTH-NSHDSACASA-N	-1	0	268.313	1.594	40	0		CDABRM
O=C([O-])C12CC(C(=O)N3CCCC(F)(F)CC3)(C1)C2	ZINC000910211242	628919582	/nfs/dbraw/zinc/91/95/82/628919582.db2.gz	JBEGBAKGHZEZJT-UHFFFAOYSA-N	-1	0	273.279	1.889	40	0		CDABRM
Cn1cc(C(=O)[O-])c(COCCC(F)(F)F)n1	ZINC000575441382	1159608591	/nfs/dbraw/zinc/60/85/91/1159608591.db2.gz	KBFKCFBSUSGUEG-UHFFFAOYSA-N	-1	0	252.192	1.587	40	0		CDABRM
Cc1ccc(-c2nnc(SCC(=O)[O-])n2C)cc1	ZINC000000421405	361910603	/nfs/dbraw/zinc/91/06/03/361910603.db2.gz	CDWRSEQLHRSAJD-UHFFFAOYSA-N	-1	0	263.322	1.967	40	0		CDABRM
Nc1nn(Cc2cccc(F)c2F)cc1C(=O)[O-]	ZINC000408716756	365728198	/nfs/dbraw/zinc/72/81/98/365728198.db2.gz	QOVNVHHBFNHESI-UHFFFAOYSA-N	-1	0	253.208	1.320	40	0		CDABRM
CCOC(=O)C(C)=C([O-])c1ccc2c(c1)OCCO2	ZINC000085396806	179050004	/nfs/dbraw/zinc/05/00/04/179050004.db2.gz	VHMGKOBIGJWSPO-SECBINFHSA-N	-1	0	264.277	1.840	40	0		CDABRM
O=C([O-])c1nn(-c2ccccc2)nc1N1CCCCC1	ZINC000256049072	350908831	/nfs/dbraw/zinc/90/88/31/350908831.db2.gz	XZSUTDXXDLRHKY-UHFFFAOYSA-N	-1	0	272.308	1.956	40	0		CDABRM
CCCOc1ccc([C@@H]2CNC(=O)[C@H]2C(=O)[O-])cc1	ZINC000256049531	350908896	/nfs/dbraw/zinc/90/88/96/350908896.db2.gz	AIRCNCNQAXXEQT-RYUDHWBXSA-N	-1	0	263.293	1.390	40	0		CDABRM
Nc1ccc(S(=O)(=O)[N-]c2ncc(Cl)cn2)cc1	ZINC000001706317	355948907	/nfs/dbraw/zinc/94/89/07/355948907.db2.gz	NHXFNWQEWSETRC-UHFFFAOYSA-N	-1	0	284.728	1.513	40	0		CDABRM
CC[C@@](S[C@@H](C)C(N)=O)(C(=O)[O-])c1ccccc1	ZINC000001752260	355950732	/nfs/dbraw/zinc/95/07/32/355950732.db2.gz	JVIWVXBCVDQBOQ-ZANVPECISA-N	-1	0	267.350	1.984	40	0		CDABRM
C[C@@H]1CCc2nnc(N3CCC(C(=O)[O-])CC3)cc2C1	ZINC000096530184	357524534	/nfs/dbraw/zinc/52/45/34/357524534.db2.gz	SGSPQTLQJFDRBW-SNVBAGLBSA-N	-1	0	275.352	1.902	40	0		CDABRM
CC(=O)c1sc(NC(=O)CCC(=O)[O-])nc1C	ZINC000026438982	358549972	/nfs/dbraw/zinc/54/99/72/358549972.db2.gz	BIOANNNOUIEZOF-UHFFFAOYSA-N	-1	0	256.283	1.457	40	0		CDABRM
CCc1nc2n(n1)[C@@H](c1cccc(O)c1)CC(C(=O)[O-])=N2	ZINC000102334170	358874278	/nfs/dbraw/zinc/87/42/78/358874278.db2.gz	MNJASMQMKRMCIQ-LLVKDONJSA-N	-1	0	286.291	1.530	40	0		CDABRM
CN(Cc1ccccc1)Cc1ncc(C(=O)[O-])cn1	ZINC000217344241	358993754	/nfs/dbraw/zinc/99/37/54/358993754.db2.gz	IEBRFFFBIDHCKT-UHFFFAOYSA-N	-1	0	257.293	1.807	40	0		CDABRM
CCOc1ccc(NC(=O)N/C=C/C(=O)[O-])cc1	ZINC000222697618	359365689	/nfs/dbraw/zinc/36/56/89/359365689.db2.gz	AOZRZUZRJSDEHF-BQYQJAHWSA-N	-1	0	250.254	1.805	40	0		CDABRM
CC(C)[C@@H]([NH2+]Cc1ccccc1C(=O)[O-])C(=O)[O-]	ZINC000062718088	364836212	/nfs/dbraw/zinc/83/62/12/364836212.db2.gz	WKSJIJLUNGEKBB-LLVKDONJSA-N	-1	0	251.282	1.584	40	0		CDABRM
C[NH+](C)CCc1c[nH]c2cccc(OP(=O)([O-])[O-])c12	ZINC000001530830	374083582	/nfs/dbraw/zinc/08/35/82/374083582.db2.gz	QVDSEJDULKLHCG-UHFFFAOYSA-N	-1	0	284.252	1.744	40	0	investigational	CDABRM
Cc1ccc(C)c(CS(=O)(=O)[N-]C(=O)[C@H]2C[C@H]2C)c1	ZINC000225412824	374325362	/nfs/dbraw/zinc/32/53/62/374325362.db2.gz	SHYQMOLRMJKPRW-YPMHNXCESA-N	-1	0	281.377	1.905	40	0		CDABRM
O=C([O-])[C@@H]1CC[C@]2(C1)SCCCS2(=O)=O	ZINC000217906449	375759102	/nfs/dbraw/zinc/75/91/02/375759102.db2.gz	BVKGLKLPFMEBSW-APPZFPTMSA-N	-1	0	250.341	1.119	40	0		CDABRM
CC(C)c1nc([N-]S(=O)(=O)c2ccccc2F)n(C)n1	ZINC000073840534	375797782	/nfs/dbraw/zinc/79/77/82/375797782.db2.gz	FXDMXBJBZKZTFW-UHFFFAOYSA-N	-1	0	298.343	1.878	40	0		CDABRM
COCCNC(=S)Nc1ccc(C(=O)[O-])cc1	ZINC000002597394	169814872	/nfs/dbraw/zinc/81/48/72/169814872.db2.gz	CZKNMYDKIGDORC-UHFFFAOYSA-N	-1	0	254.311	1.318	40	0		CDABRM
O=C([O-])[C@H]1[C@@H]2C=C[C@@H](O2)[C@H]1C(=O)Nc1ccccc1Cl	ZINC000005344684	304210217	/nfs/dbraw/zinc/21/02/17/304210217.db2.gz	ZMVQYLUXIYDAKS-KXNHARMFSA-N	-1	0	293.706	1.933	40	0		CDABRM
O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)Nc1ccncc1	ZINC000005332434	304211687	/nfs/dbraw/zinc/21/16/87/304211687.db2.gz	KAPJBKOPZKERBF-DMWPJOQESA-N	-1	0	258.277	1.543	40	0		CDABRM
O=C([O-])c1cnn(-c2ccccn2)c1Br	ZINC000085392608	304280147	/nfs/dbraw/zinc/28/01/47/304280147.db2.gz	ZPOKBARSRLALMC-UHFFFAOYSA-N	-1	0	268.070	1.728	40	0		CDABRM
CCS(=O)(=O)C1(c2nc(C(=O)[O-])cs2)CC1	ZINC000096531933	390541663	/nfs/dbraw/zinc/54/16/63/390541663.db2.gz	FGNSCBXOYBAGIK-UHFFFAOYSA-N	-1	0	261.324	1.265	40	0		CDABRM
COCCn1nc([C@H](C)C(=O)[O-])c2ccccc2c1=O	ZINC000072209277	390616560	/nfs/dbraw/zinc/61/65/60/390616560.db2.gz	LAEHJXDSJQCLCC-VIFPVBQESA-N	-1	0	276.292	1.231	40	0		CDABRM
Cc1ccc(C2=NN(CC(=O)[O-])C(=O)[C@H]3C[C@@H]23)cc1	ZINC000217833923	130763770	/nfs/dbraw/zinc/76/37/70/130763770.db2.gz	QOYNUVSAZURVHD-MNOVXSKESA-N	-1	0	258.277	1.262	40	0		CDABRM
CCS(=O)(=O)c1ccc(OCC(=O)[O-])c(Cl)c1	ZINC000218304358	130767778	/nfs/dbraw/zinc/76/77/78/130767778.db2.gz	WAUKGNGYSKTNKK-UHFFFAOYSA-N	-1	0	278.713	1.597	40	0		CDABRM
Cc1cc(C(=O)[N-]S(=O)(=O)C[C@H]2CCCCO2)co1	ZINC000187379690	392122095	/nfs/dbraw/zinc/12/20/95/392122095.db2.gz	PVEXFPKNUQKXGD-LLVKDONJSA-N	-1	0	287.337	1.217	40	0		CDABRM
C[C@@H]([NH2+]Cc1cn(CC(=O)[O-])c2ccccc12)C(=O)[O-]	ZINC000062717193	392803739	/nfs/dbraw/zinc/80/37/39/392803739.db2.gz	AUBKEFLEUBLODT-SECBINFHSA-N	-1	0	276.292	1.289	40	0		CDABRM
CCSc1ncc(C(=O)[O-])c(N2CCOCC2)n1	ZINC000049469356	134922572	/nfs/dbraw/zinc/92/25/72/134922572.db2.gz	YEMXVAXHVGXGCE-UHFFFAOYSA-N	-1	0	269.326	1.123	40	0		CDABRM
O=C([O-])CCSc1n[nH]c(-c2ccncc2)n1	ZINC000005649214	170124247	/nfs/dbraw/zinc/12/42/47/170124247.db2.gz	PYZPBOUVWAIQTA-UHFFFAOYSA-N	-1	0	250.283	1.434	40	0		CDABRM
O=C([O-])CCSC1=N[C@@H]2C=Cc3nsnc3[C@@H]2N1	ZINC000006293054	170189184	/nfs/dbraw/zinc/18/91/84/170189184.db2.gz	NPQJYIZOWBZODL-SVGQVSJJSA-N	-1	0	282.350	1.142	40	0		CDABRM
Cc1nn(C)cc1[C@H](C)NC(=O)[C@H]1CCCC[C@@H]1C(=O)[O-]	ZINC000006921564	170255329	/nfs/dbraw/zinc/25/53/29/170255329.db2.gz	DQTGBGFJIIYTMY-DLOVCJGASA-N	-1	0	293.367	1.797	40	0		CDABRM
C[C@@H]1CC(=O)N=C(S[C@@H](C(=O)[O-])c2ccccc2)N1	ZINC000008240614	170326463	/nfs/dbraw/zinc/32/64/63/170326463.db2.gz	SEODJMCFNJPFCL-LDYMZIIASA-N	-1	0	278.333	1.810	40	0		CDABRM
CCC[C@H](Sc1ncnc2[nH]cnc21)C(=O)[O-]	ZINC000008627300	170343187	/nfs/dbraw/zinc/34/31/87/170343187.db2.gz	SBELOHFXFJMKRB-LURJTMIESA-N	-1	0	252.299	1.698	40	0		CDABRM
COc1ccc(/C=C/C(=O)NCCC(=O)[O-])cc1OC	ZINC000020200246	171063669	/nfs/dbraw/zinc/06/36/69/171063669.db2.gz	RNJMLEKKWXXDBJ-GQCTYLIASA-N	-1	0	279.292	1.308	40	0		CDABRM
CCOC(=O)CC(C(=O)OCC)=C([O-])c1cccnc1	ZINC000022058916	171351654	/nfs/dbraw/zinc/35/16/54/171351654.db2.gz	QXXITRIGTFCJBO-LLVKDONJSA-N	-1	0	279.292	1.397	40	0	in-vitro	CDABRM
O=C([O-])CCCNC(=O)/C=C/c1ccccc1F	ZINC000037410010	173186302	/nfs/dbraw/zinc/18/63/02/173186302.db2.gz	DEJJUTQJEANDHT-BQYQJAHWSA-N	-1	0	251.257	1.820	40	0		CDABRM
O=C([O-])[C@H]1CCCCN1C(=O)COc1cccc(F)c1	ZINC000037410744	173187669	/nfs/dbraw/zinc/18/76/69/173187669.db2.gz	SXBIBTCBTPZNHY-GFCCVEGCSA-N	-1	0	281.283	1.670	40	0		CDABRM
CCOC(=O)C1=NN(c2ccccc2OC)[C@H](C(=O)[O-])C1	ZINC000071979285	176307823	/nfs/dbraw/zinc/30/78/23/176307823.db2.gz	ZNDHYMYBRBEKKU-NSHDSACASA-N	-1	0	292.291	1.278	40	0		CDABRM
CC(=O)N1CCC[C@H](c2cnc(CCC(=O)[O-])cn2)C1	ZINC000072344512	176373087	/nfs/dbraw/zinc/37/30/87/176373087.db2.gz	KUQLXFUUIBATBC-NSHDSACASA-N	-1	0	277.324	1.220	40	0		CDABRM
COCCS(=O)(=O)[N-]c1cccc(C(F)(F)F)n1	ZINC000077966283	177313565	/nfs/dbraw/zinc/31/35/65/177313565.db2.gz	LPAYFQZPRLCZFX-UHFFFAOYSA-N	-1	0	284.259	1.489	40	0		CDABRM
COc1cccc(OCc2noc(CCC(=O)[O-])n2)c1	ZINC000078400905	177337763	/nfs/dbraw/zinc/33/77/63/177337763.db2.gz	VJMDBASQACALNR-UHFFFAOYSA-N	-1	0	278.264	1.674	40	0		CDABRM
CC(=O)N[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)[O-]	ZINC000019721305	278140763	/nfs/dbraw/zinc/14/07/63/278140763.db2.gz	MPQGVZVPMHZXNT-JTQLQIEISA-N	-1	0	275.226	1.837	40	0		CDABRM
Nc1nc(C(F)(F)F)c(Br)c(=O)[n-]1	ZINC000003653809	295368962	/nfs/dbraw/zinc/36/89/62/295368962.db2.gz	KDUMWKVFLDBWKA-UHFFFAOYSA-N	-1	0	257.997	1.546	40	0		CDABRM
CCNC(=O)c1cc2nc(C(=O)[O-])n(C)c2cc1Cl	ZINC000225730318	333182241	/nfs/dbraw/zinc/18/22/41/333182241.db2.gz	GZDRGAXMJDCWQI-UHFFFAOYSA-N	-1	0	281.699	1.675	40	0		CDABRM
O=C([O-])Cc1ccccc1NC(=O)[C@@H]1CCCOC1	ZINC000054768694	527639273	/nfs/dbraw/zinc/63/92/73/527639273.db2.gz	IEAXMRPUUWCYIO-LLVKDONJSA-N	-1	0	263.293	1.679	40	0		CDABRM
CCCOc1nn(C)c2ccc(OCC(=O)[O-])cc21	ZINC000225771708	528794760	/nfs/dbraw/zinc/79/47/60/528794760.db2.gz	YBTFLCLQDUAZDU-UHFFFAOYSA-N	-1	0	264.281	1.826	40	0		CDABRM
O=C([O-])/C=C/C(=O)NCC1(c2ccccc2)CCOCC1	ZINC000016849122	1165647640	/nfs/dbraw/zinc/64/76/40/1165647640.db2.gz	CHASDOOQJXSCFY-VOTSOKGWSA-N	-1	0	289.331	1.492	40	0		CDABRM
CSc1nnc(C)n1[N-]C(=S)NC(=O)CC(C)C	ZINC000008375288	342500794	/nfs/dbraw/zinc/50/07/94/342500794.db2.gz	AVVINXFYCQPOKD-UHFFFAOYSA-N	-1	0	287.414	1.299	40	0		CDABRM
CCOc1cccc(/C=N/n2cnnc2)c1OCC(=O)[O-]	ZINC000006965020	342001694	/nfs/dbraw/zinc/00/16/94/342001694.db2.gz	SFHGQCMYBBATBZ-OMCISZLKSA-N	-1	0	290.279	1.022	40	0		CDABRM
O=C([O-])[C@@H]([NH2+]CCO)c1ccc(Br)cc1	ZINC000070453687	361972831	/nfs/dbraw/zinc/97/28/31/361972831.db2.gz	CKQOROJVNXDCJP-VIFPVBQESA-N	-1	0	274.114	1.157	40	0		CDABRM
O=C([O-])[C@H](CNC(=O)C1CCOCC1)CC1CC1	ZINC000405394836	345440042	/nfs/dbraw/zinc/44/00/42/345440042.db2.gz	HYUSRJRNELUTSX-NSHDSACASA-N	-1	0	255.314	1.030	40	0		CDABRM
O=C([O-])CCNC(=O)CCCOc1ccccc1	ZINC000001792750	362603350	/nfs/dbraw/zinc/60/33/50/362603350.db2.gz	OORDQEBIKGMIOM-UHFFFAOYSA-N	-1	0	251.282	1.437	40	0		CDABRM
C[C@H]1C[C@H](C)CN(c2nsnc2OCC(=O)[O-])C1	ZINC000085394194	179049227	/nfs/dbraw/zinc/04/92/27/179049227.db2.gz	JOHLFVXBNFSJBL-YUMQZZPRSA-N	-1	0	271.342	1.484	40	0		CDABRM
CS(=O)(=O)Nc1ccc(C(=O)[O-])c(C(F)(F)F)c1	ZINC000090686447	180023527	/nfs/dbraw/zinc/02/35/27/180023527.db2.gz	ORIYXKNOBZJBMP-UHFFFAOYSA-N	-1	0	283.227	1.775	40	0		CDABRM
O=C([O-])[C@@]1(C(F)(F)F)CCN(C(=O)[C@H]2CCCCO2)C1	ZINC000111239979	186375320	/nfs/dbraw/zinc/37/53/20/186375320.db2.gz	YWZBHRDLESGXKA-LDYMZIIASA-N	-1	0	295.257	1.421	40	0		CDABRM
Cc1ccc(N2C(=O)C[C@H](SCC(=O)[O-])C2=O)cc1C	ZINC000016899619	356448545	/nfs/dbraw/zinc/44/85/45/356448545.db2.gz	ADQKZHKCNBOOMS-NSHDSACASA-N	-1	0	293.344	1.753	40	0		CDABRM
Cc1cccc(C)c1OCc1ncc(C(=O)[O-])c(=O)[nH]1	ZINC000058038181	357374877	/nfs/dbraw/zinc/37/48/77/357374877.db2.gz	DEYWALZIJRJZBY-UHFFFAOYSA-N	-1	0	274.276	1.664	40	0		CDABRM
CN1N=C([O-])NN(C)[P@@]1(=O)Oc1ccccc1	ZINC000003851119	283260517	/nfs/dbraw/zinc/26/05/17/283260517.db2.gz	AJIVVYUACZPONB-UHFFFAOYSA-N	-1	0	256.202	1.180	40	0		CDABRM
O=C([O-])[C@H]1CCCN(c2cc(C3CC3)nc3ncnn32)C1	ZINC000096515967	357522237	/nfs/dbraw/zinc/52/22/37/357522237.db2.gz	WXSFLDQCTREDRW-JTQLQIEISA-N	-1	0	287.323	1.303	40	0		CDABRM
Cc1cc(C(=O)[O-])c(=O)n(-c2ccccc2Cl)n1	ZINC000089263655	358400575	/nfs/dbraw/zinc/40/05/75/358400575.db2.gz	XJIXORRKOAWCTD-UHFFFAOYSA-N	-1	0	264.668	1.893	40	0		CDABRM
O=C([O-])[C@H]1Cc2[nH]cnc2[C@H](c2ccc(F)c(F)c2)N1	ZINC000096300043	358731303	/nfs/dbraw/zinc/73/13/03/358731303.db2.gz	YVEUDQPFQNWVPS-MNOVXSKESA-N	-1	0	279.246	1.376	40	0		CDABRM
CCS[C@@H]1CC(=O)N(c2ccc(C(=O)[O-])cc2)C1=O	ZINC000100855618	358836048	/nfs/dbraw/zinc/83/60/48/358836048.db2.gz	YKBURSMSPMUISD-SNVBAGLBSA-N	-1	0	279.317	1.770	40	0		CDABRM
CCC[C@H](C)Nc1ccc(C(=O)[O-])cc1S(N)(=O)=O	ZINC000217405239	358998993	/nfs/dbraw/zinc/99/89/93/358998993.db2.gz	BHBCMKSDQINRFD-QMMMGPOBSA-N	-1	0	286.353	1.633	40	0		CDABRM
CC(C)Nc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)[O-]	ZINC000217570825	359011259	/nfs/dbraw/zinc/01/12/59/359011259.db2.gz	VQOJMXCUBCGVIA-UHFFFAOYSA-N	-1	0	298.364	1.646	40	0		CDABRM
CC[C@@](CNC(=O)[C@H]1CCOC1)(C(=O)[O-])c1ccccc1	ZINC000262928948	359199964	/nfs/dbraw/zinc/19/99/64/359199964.db2.gz	GEWYMXHUPMHUKV-LRDDRELGSA-N	-1	0	291.347	1.572	40	0		CDABRM
C[C@H](NC(=O)/C=C/c1cccc(Cl)c1)C(=O)[O-]	ZINC000033435462	359333037	/nfs/dbraw/zinc/33/30/37/359333037.db2.gz	NFPORLNWZCPSPR-GJIOHYHPSA-N	-1	0	253.685	1.943	40	0		CDABRM
O=C([O-])c1ccc2c(c1)[nH]c(=O)n(-c1ccccn1)c2=O	ZINC000408712805	295990527	/nfs/dbraw/zinc/99/05/27/295990527.db2.gz	SOXQNXTTZLXXKC-UHFFFAOYSA-N	-1	0	283.243	1.185	40	0		CDABRM
C[C@@H](O)/C=C/[C@@H]1OC(=O)C[C@H]1Nc1ccc(C(=O)[O-])cc1	ZINC000033954062	359755407	/nfs/dbraw/zinc/75/54/07/359755407.db2.gz	IZSWILLJDXDGDJ-NRQJVNRNSA-N	-1	0	291.303	1.418	40	0	biogenic,in-vitro	CDABRM
C[C@@H](CNC(=O)c1cccc(Br)c1)C(=O)[O-]	ZINC000054309584	360452416	/nfs/dbraw/zinc/45/24/16/360452416.db2.gz	KTOHHULFELNMRI-ZETCQYMHSA-N	-1	0	286.125	1.900	40	0		CDABRM
COCCN1C(=O)C[C@H](C(=O)[O-])[C@H]1c1ccc(OC)cc1	ZINC000049466735	364010898	/nfs/dbraw/zinc/01/08/98/364010898.db2.gz	SJZOECFDVQEXBI-GXTWGEPZSA-N	-1	0	293.319	1.316	40	0		CDABRM
CC(C)NS(=O)(=O)c1cc(C(=O)[O-])ccc1NC1CC1	ZINC000217416157	189709674	/nfs/dbraw/zinc/70/96/74/189709674.db2.gz	HRIIZKIZPWMYDW-UHFFFAOYSA-N	-1	0	298.364	1.646	40	0		CDABRM
CC(=O)c1cc(C(=O)[O-])c(=O)n(-c2ccc(C)c(C)c2)n1	ZINC000225965945	189768042	/nfs/dbraw/zinc/76/80/42/189768042.db2.gz	PXBPYYMTLKQKDH-UHFFFAOYSA-N	-1	0	286.287	1.750	40	0		CDABRM
C[C@H](O)CCC/C=C/[C@@H]1C[C@H](O)C[C@@H]1[C@H](O)/C=C/C(=O)[O-]	ZINC000049180662	373999730	/nfs/dbraw/zinc/99/97/30/373999730.db2.gz	JFMRAARESGPLQF-MQTBDASESA-N	-1	0	298.379	1.483	40	0	biogenic,in-vitro	CDABRM
CN(c1cnn(CC(=O)[O-])c1)C1=NCCCCC1	ZINC000217814240	375742789	/nfs/dbraw/zinc/74/27/89/375742789.db2.gz	PRCQEUMSQFOBAJ-UHFFFAOYSA-N	-1	0	250.302	1.376	40	0		CDABRM
CC1=c2c(=O)n(C)c3ccccc3c2=NC(=O)[N-]N1	ZINC000003846455	375802356	/nfs/dbraw/zinc/80/23/56/375802356.db2.gz	VWBXQBCRUIDGOK-UHFFFAOYSA-N	-1	0	256.265	1.398	40	0		CDABRM
Cc1cncc([C@@H]2CCCN2C(=O)CCC(=O)[O-])n1	ZINC000257291173	190027708	/nfs/dbraw/zinc/02/77/08/190027708.db2.gz	QFYVFILMJOQLQP-NSHDSACASA-N	-1	0	263.297	1.313	40	0		CDABRM
CNc1cncc([C@H]2CCCN2C(=O)CCC(=O)[O-])n1	ZINC000257310139	190032299	/nfs/dbraw/zinc/03/22/99/190032299.db2.gz	UDVAOPORWGHVCH-SNVBAGLBSA-N	-1	0	278.312	1.047	40	0		CDABRM
Cc1ncc([N-]S(=O)(=O)c2ccc(N)cc2)c(C)n1	ZINC000000157607	169557647	/nfs/dbraw/zinc/55/76/47/169557647.db2.gz	MJRCICKEDPXBLE-UHFFFAOYSA-N	-1	0	278.337	1.476	40	0		CDABRM
COC(=O)c1ccc(-c2cccnc2)nc1C(=O)[O-]	ZINC000095097301	184943208	/nfs/dbraw/zinc/94/32/08/184943208.db2.gz	UVBDQNSOXZQSSJ-UHFFFAOYSA-N	-1	0	258.233	1.628	40	0		CDABRM
O=C([O-])C[C@@H]1CN(C(=O)OCc2ccccc2)CCO1	ZINC000002527111	390143195	/nfs/dbraw/zinc/14/31/95/390143195.db2.gz	UAIWDGIRSHDAGD-GFCCVEGCSA-N	-1	0	279.292	1.499	40	0		CDABRM
NC(=O)c1ccc(Nc2ncccc2C(=O)[O-])cc1	ZINC000013090489	390207375	/nfs/dbraw/zinc/20/73/75/390207375.db2.gz	LQRGSPFWPDDOOH-UHFFFAOYSA-N	-1	0	257.249	1.622	40	0		CDABRM
CCOC(=O)c1n[n-]c(OC(F)F)c1Br	ZINC000096509312	390529551	/nfs/dbraw/zinc/52/95/51/390529551.db2.gz	RLGIRGRHWIUOAR-UHFFFAOYSA-N	-1	0	285.044	1.950	40	0		CDABRM
Cc1cc(C)n2nc(N3CCC[C@@H](C(=O)[O-])C3)nc2n1	ZINC000096517021	390532193	/nfs/dbraw/zinc/53/21/93/390532193.db2.gz	SKZHNMYRBSDLPZ-SNVBAGLBSA-N	-1	0	275.312	1.042	40	0		CDABRM
Cn1nc(C(=O)N2CCC(C(=O)[O-])CC2)c2ccccc21	ZINC000096517464	390533440	/nfs/dbraw/zinc/53/34/40/390533440.db2.gz	PCMLTINRXXSRQX-UHFFFAOYSA-N	-1	0	287.319	1.510	40	0		CDABRM
CC1=C[C@]23[C@H](C=C(C(=O)[O-])[C@H]2COC(=O)[C@]32CO2)[C@@H]1C	ZINC000004982965	391805315	/nfs/dbraw/zinc/80/53/15/391805315.db2.gz	NUPNVWUYFVEAIT-UXZBUUOASA-N	-1	0	276.288	1.152	40	0	in-vitro	CDABRM
COc1cc([C@H]2COC(=O)[C@H]2C(=O)[O-])cc(OC)c1OC	ZINC000242687715	391944920	/nfs/dbraw/zinc/94/49/20/391944920.db2.gz	URRWGMJSIAKNBC-LDYMZIIASA-N	-1	0	296.275	1.054	40	0		CDABRM
O=C([O-])[C@@H]1C[C@@H]1S(=O)(=O)c1ccc(Cl)cc1	ZINC000218004233	130765384	/nfs/dbraw/zinc/76/53/84/130765384.db2.gz	ULVYOCNOCGILRF-BDAKNGLRSA-N	-1	0	260.698	1.587	40	0		CDABRM
COCCN1C(=O)CCc2cc(SCC(=O)[O-])ccc21	ZINC000218800067	130771062	/nfs/dbraw/zinc/77/10/62/130771062.db2.gz	DRMGFFYSVHILOW-UHFFFAOYSA-N	-1	0	295.360	1.789	40	0		CDABRM
O=C([O-])c1cnc(Cl)c(S(=O)(=O)C(F)(F)F)c1	ZINC000252497463	392794984	/nfs/dbraw/zinc/79/49/84/392794984.db2.gz	QIPNNAGIQWZJIA-UHFFFAOYSA-N	-1	0	289.618	1.727	40	0		CDABRM
CS(=O)(=O)[C@@H]1[C@@H](C(=O)[O-])[C@H]1c1cccc(F)c1	ZINC000242464095	393129341	/nfs/dbraw/zinc/12/93/41/393129341.db2.gz	DVWHMBXHYSUMKD-UTLUCORTSA-N	-1	0	258.270	1.037	40	0		CDABRM
CCC(CC)(CNC(=O)c1cnn2ccccc12)C(=O)[O-]	ZINC000225481251	140177186	/nfs/dbraw/zinc/17/71/86/140177186.db2.gz	DUSPEJXFDOPBLW-UHFFFAOYSA-N	-1	0	289.335	1.955	40	0		CDABRM
C[C@@H]1CCCN(C(=O)Cc2ccc(O)cc2)[C@@H]1C(=O)[O-]	ZINC000235313935	140234380	/nfs/dbraw/zinc/23/43/80/140234380.db2.gz	RRONQWLTAOVUJS-YGRLFVJLSA-N	-1	0	277.320	1.646	40	0		CDABRM
O=C([O-])CCSc1n[nH]c(=S)c2[nH]cnc21	ZINC000001692117	169743878	/nfs/dbraw/zinc/74/38/78/169743878.db2.gz	HYFFFEWXVZBCCG-UHFFFAOYSA-N	-1	0	256.312	1.582	40	0		CDABRM
CCCc1nnc(SCC(=O)[O-])n1CCOC	ZINC000004877623	170035527	/nfs/dbraw/zinc/03/55/27/170035527.db2.gz	OTGDJHXWGHTPHC-UHFFFAOYSA-N	-1	0	259.331	1.054	40	0		CDABRM
Cc1nn([C@@H](C)C(=O)[O-])c(=O)c2cc3sccc3n21	ZINC000005135044	170069553	/nfs/dbraw/zinc/06/95/53/170069553.db2.gz	HXYGUSXENSIFHP-LURJTMIESA-N	-1	0	277.305	1.665	40	0		CDABRM
CC(C)C[C@@H](NC(=O)c1cnc2ccccc2n1)C(=O)[O-]	ZINC000005454576	170100620	/nfs/dbraw/zinc/10/06/20/170100620.db2.gz	UBOSXPMDFMSSMU-GFCCVEGCSA-N	-1	0	287.319	1.859	40	0		CDABRM
O=C([O-])CS[C@H]1CC(=O)N(c2cccc(F)c2)C1=O	ZINC000016899879	170714176	/nfs/dbraw/zinc/71/41/76/170714176.db2.gz	PGRVIOJZDGDXFY-VIFPVBQESA-N	-1	0	283.280	1.275	40	0		CDABRM
Cc1[nH]c(=S)n(-c2ccc(F)cc2)c(=O)c1CC(=O)[O-]	ZINC000020156375	171039369	/nfs/dbraw/zinc/03/93/69/171039369.db2.gz	CRSMJOMOYUVXDU-UHFFFAOYSA-N	-1	0	294.307	1.970	40	0		CDABRM
COc1ccc(COn2cccc(C(=O)[O-])c2=O)cc1	ZINC000041670628	174600433	/nfs/dbraw/zinc/60/04/33/174600433.db2.gz	LTPSUGOFJKMHRU-UHFFFAOYSA-N	-1	0	275.260	1.184	40	0		CDABRM
CCCC(=O)Nc1cccc(N2C[C@@H](C(=O)[O-])CC2=O)c1	ZINC000045953954	175389199	/nfs/dbraw/zinc/38/91/99/175389199.db2.gz	LELSGEKONQUQRR-JTQLQIEISA-N	-1	0	290.319	1.863	40	0		CDABRM
CC1=C(C(=O)[O-])[C@H](c2ccc(F)cc2F)CC(=O)N1	ZINC000044563676	281655941	/nfs/dbraw/zinc/65/59/41/281655941.db2.gz	VZAQDECWKZFVPO-VIFPVBQESA-N	-1	0	267.231	1.927	40	0		CDABRM
COc1cc2c(O)c(C(=O)[O-])cnc2cc1Cl	ZINC000064874596	295034546	/nfs/dbraw/zinc/03/45/46/295034546.db2.gz	KZAPVUVSOGZKJA-UHFFFAOYSA-N	-1	0	253.641	1.888	40	0		CDABRM
C[C@H](C(=O)N(C)C)S(=O)(=O)[N-]c1noc2ccccc21	ZINC000330579244	297975273	/nfs/dbraw/zinc/97/52/73/297975273.db2.gz	IFRMHMLJEAKKAT-MRVPVSSYSA-N	-1	0	297.336	1.046	40	0		CDABRM
Cc1cc(Cl)ccc1-n1c(=O)cc(C(=O)[O-])[nH]c1=O	ZINC000222649537	301289576	/nfs/dbraw/zinc/28/95/76/301289576.db2.gz	NARIXEHOIFWYSO-UHFFFAOYSA-N	-1	0	280.667	1.186	40	0		CDABRM
C[C@@H]1CC[C@]2(C)C(=C[C@H](O)C[C@@H]2O)C=C1C(=O)[O-]	ZINC001772591323	1159182666	/nfs/dbraw/zinc/18/26/66/1159182666.db2.gz	SUJBNXDMMIUWKV-LXTJZINMSA-N	-1	0	252.310	1.486	40	0		CDABRM
CC[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)[O-]	ZINC000028631700	482666923	/nfs/dbraw/zinc/66/69/23/482666923.db2.gz	OWJXXJTWCMKBCI-PSASIEDQSA-N	-1	0	288.344	1.127	40	0		CDABRM
CN(CCc1cnccn1)C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1	ZINC000262758717	522986026	/nfs/dbraw/zinc/98/60/26/522986026.db2.gz	ZKEUJYKJJOSEHD-HAQNSBGRSA-N	-1	0	291.351	1.369	40	0		CDABRM
C[C@@H](C(=O)N1CCC(CCC(=O)[O-])CC1)n1cccn1	ZINC000050922493	524098146	/nfs/dbraw/zinc/09/81/46/524098146.db2.gz	VQYZASNDBJQSAU-NSHDSACASA-N	-1	0	279.340	1.548	40	0		CDABRM
CCn1cc(C(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)cn1	ZINC000262445051	536024471	/nfs/dbraw/zinc/02/44/71/536024471.db2.gz	OKGLZSOFTGIISK-LLVKDONJSA-N	-1	0	277.324	1.230	40	0		CDABRM
O=C([O-])c1cn2cc(F)c(Br)cc2n1	ZINC001542984483	967258842	/nfs/dbraw/zinc/25/88/42/967258842.db2.gz	OBIHKORUWXZCLE-UHFFFAOYSA-N	-1	0	259.034	1.934	40	0		CDABRM
O=C([O-])CCCn1cc(COc2ccccc2)nn1	ZINC000225817273	230399833	/nfs/dbraw/zinc/39/98/33/230399833.db2.gz	SCFKPZKSXGONED-UHFFFAOYSA-N	-1	0	261.281	1.722	40	0		CDABRM
COc1cccc(-c2cc(C(=O)[O-])c(=O)n(C)n2)c1	ZINC000082453172	178031695	/nfs/dbraw/zinc/03/16/95/178031695.db2.gz	JLNXRGYBMXDEAB-UHFFFAOYSA-N	-1	0	260.249	1.154	40	0		CDABRM
Cc1ccc(CN2Cc3ncn(C)c3[C@H](C(=O)[O-])C2)s1	ZINC000096067809	185085592	/nfs/dbraw/zinc/08/55/92/185085592.db2.gz	MKSNHNFGUSQFNX-LLVKDONJSA-N	-1	0	291.376	1.974	40	0		CDABRM
N=c1[n-]nc(-c2c(Br)cnn2CCF)s1	ZINC000408717752	365730284	/nfs/dbraw/zinc/73/02/84/365730284.db2.gz	SDMFWQREIHQNCI-UHFFFAOYSA-N	-1	0	292.137	1.546	40	0		CDABRM
COc1c(C(=O)[O-])nnn1Cc1ccccc1Cl	ZINC000085385072	179046699	/nfs/dbraw/zinc/04/66/99/179046699.db2.gz	CWTFFDYHIPDZAG-UHFFFAOYSA-N	-1	0	267.672	1.687	40	0		CDABRM
COC(=O)C(=C(C)[O-])C(=O)c1ccccc1Cl	ZINC000100346684	185713395	/nfs/dbraw/zinc/71/33/95/185713395.db2.gz	JQAPPJOUAUZGKE-JTQLQIEISA-N	-1	0	254.669	1.901	40	0		CDABRM
O=C([O-])c1csc(CCNC(=O)[C@H]2CC=CCC2)n1	ZINC000090939492	180067852	/nfs/dbraw/zinc/06/78/52/180067852.db2.gz	XPRJYPMEFBYNEP-VIFPVBQESA-N	-1	0	280.349	1.856	40	0		CDABRM
CC(C)(C)c1cc(=O)n2c(n1)SC[C@@H]2CC(=O)[O-]	ZINC000061968084	362958547	/nfs/dbraw/zinc/95/85/47/362958547.db2.gz	DLNSYKVZCFICAO-ZETCQYMHSA-N	-1	0	268.338	1.662	40	0		CDABRM
C[C@@H](NC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)[O-])c1ccncc1	ZINC000157755261	188337006	/nfs/dbraw/zinc/33/70/06/188337006.db2.gz	JYUHZEVRAUKQCN-LPUQOGTASA-N	-1	0	286.331	1.782	40	0		CDABRM
COC(=O)C=C([O-])c1c(OC)ccc(OC)c1OC	ZINC000002575890	355976355	/nfs/dbraw/zinc/97/63/55/355976355.db2.gz	WLUUUJQTPWTEND-UHFFFAOYSA-N	-1	0	268.265	1.458	40	0		CDABRM
CCOC(=O)c1n[n-]n(-c2ccc(OC)cc2)c1=O	ZINC000003844499	356009432	/nfs/dbraw/zinc/00/94/32/356009432.db2.gz	IDSBQRICPQGCJR-UHFFFAOYSA-N	-1	0	263.253	1.158	40	0		CDABRM
COC(=O)c1cc(NC(=O)CCC(=O)[O-])ccc1Cl	ZINC000015422969	356415602	/nfs/dbraw/zinc/41/56/02/356415602.db2.gz	BHNOUUNZJOTPQY-UHFFFAOYSA-N	-1	0	285.683	1.930	40	0		CDABRM
O=c1[n-][nH]c(=O)c2[nH]c(=S)n(Cc3ccccc3)c21	ZINC000016890110	356448683	/nfs/dbraw/zinc/44/86/83/356448683.db2.gz	UOKDZZRHBUPEQL-UHFFFAOYSA-N	-1	0	274.305	1.536	40	0		CDABRM
Cn1cc(-c2cc(=O)n3[n-]c(-c4ccccn4)cc3n2)cn1	ZINC000019290750	356479952	/nfs/dbraw/zinc/47/99/52/356479952.db2.gz	IUDGXUIICZWFLL-UHFFFAOYSA-N	-1	0	292.302	1.897	40	0		CDABRM
O=C([O-])c1cnc(COc2cccc(Cl)c2)[nH]c1=O	ZINC000058038224	357375060	/nfs/dbraw/zinc/37/50/60/357375060.db2.gz	HJEYIWPDCPFWJD-UHFFFAOYSA-N	-1	0	280.667	1.701	40	0		CDABRM
CN(Cc1ccccc1)c1ncc(C(=O)[O-])c(=O)[nH]1	ZINC000059130849	357422408	/nfs/dbraw/zinc/42/24/08/357422408.db2.gz	DEDFWWWIRSCVAV-UHFFFAOYSA-N	-1	0	259.265	1.105	40	0		CDABRM
C[C@H]1CCCC[C@H]1NC(=O)[C@H]1[C@@H](C(=O)[O-])[C@H]2CC[C@@H]1O2	ZINC000017008593	357618418	/nfs/dbraw/zinc/61/84/18/357618418.db2.gz	ZKUKAPRFCHJVNA-QYKGAGETSA-N	-1	0	281.352	1.560	40	0		CDABRM
CCO[C@H]1COCC[C@H]1Nc1cccc(C(=O)[O-])n1	ZINC000263387188	359269447	/nfs/dbraw/zinc/26/94/47/359269447.db2.gz	FEVRITMPTSCOHW-KOLCDFICSA-N	-1	0	266.297	1.386	40	0		CDABRM
O=C([O-])CSCc1nnc(-c2ccncc2)o1	ZINC000223766820	359453869	/nfs/dbraw/zinc/45/38/69/359453869.db2.gz	ORWJZUVVEIOZLY-UHFFFAOYSA-N	-1	0	251.267	1.449	40	0		CDABRM
CCOc1cc(Cl)c(/C=C2/NC(=O)[N-]C2=O)cc1OC	ZINC000409045033	363865928	/nfs/dbraw/zinc/86/59/28/363865928.db2.gz	XQYHFSKSEWBDNR-RUDMXATFSA-N	-1	0	296.710	1.928	40	0		CDABRM
COC(=O)C1=C([O-])c2ccccc2CC[C@H]2COC(=O)[C@H]12	ZINC000001303472	364288566	/nfs/dbraw/zinc/28/85/66/364288566.db2.gz	IBJPSMRMSTWFON-WCFLWFBJSA-N	-1	0	288.299	1.394	40	0		CDABRM
CC(C)[C@H](NC(=O)c1cnc2ccccc2n1)C(=O)[O-]	ZINC000001581179	364344399	/nfs/dbraw/zinc/34/43/99/364344399.db2.gz	UKQIEFFVACMBGT-LBPRGKRZSA-N	-1	0	273.292	1.469	40	0		CDABRM
CO[C@H]1CC[C@@](NC(=O)OC(C)(C)C)(C(=O)[O-])C1	ZINC000199551194	189683424	/nfs/dbraw/zinc/68/34/24/189683424.db2.gz	QTVILWKSHUHYPB-UFBFGSQYSA-N	-1	0	259.302	1.533	40	0		CDABRM
COC(=O)c1c(Br)cncc1C(=O)[O-]	ZINC000199795407	189683852	/nfs/dbraw/zinc/68/38/52/189683852.db2.gz	QSCQVKXWHDKSRI-UHFFFAOYSA-N	-1	0	260.043	1.329	40	0		CDABRM
COC[C@]1(C(=O)[O-])C[C@@H]1S(=O)(=O)c1ccc(C)cc1	ZINC000217992354	367259448	/nfs/dbraw/zinc/25/94/48/367259448.db2.gz	DVQIKIPZFVCAGG-WCQYABFASA-N	-1	0	284.333	1.258	40	0		CDABRM
COc1ccc(-n2nc(C(C)=O)cc(C(=O)[O-])c2=O)cc1	ZINC000225966596	189768116	/nfs/dbraw/zinc/76/81/16/189768116.db2.gz	HFYHZDWBODDULS-UHFFFAOYSA-N	-1	0	288.259	1.142	40	0		CDABRM
COc1ccc(Cl)c2c(=O)ccn(CC(=O)[O-])c12	ZINC000064874737	374240908	/nfs/dbraw/zinc/24/09/08/374240908.db2.gz	ZJRWNRPJUIELPI-UHFFFAOYSA-N	-1	0	267.668	1.748	40	0		CDABRM
O=c1c(Br)n[n-]c2c(F)c(F)ccc12	ZINC000225743255	375196231	/nfs/dbraw/zinc/19/62/31/375196231.db2.gz	WZXLJBRUZZKBER-UHFFFAOYSA-N	-1	0	261.025	1.964	40	0		CDABRM
O=C([O-])Cn1ccc(NCc2ccc(F)s2)n1	ZINC000256050874	190003364	/nfs/dbraw/zinc/00/33/64/190003364.db2.gz	GUYPIJFUROPLKI-UHFFFAOYSA-N	-1	0	255.274	1.780	40	0		CDABRM
CN1C(=O)N[C@@H](c2ccc(C(=O)[O-])cc2)[C@@H]2CCCO[C@@H]21	ZINC000257216814	190013602	/nfs/dbraw/zinc/01/36/02/190013602.db2.gz	CWEFKRQTITVCNO-AVGNSLFASA-N	-1	0	290.319	1.834	40	0		CDABRM
CCS(=O)(=O)[C@@H]1[C@@H](C(=O)[O-])[C@@H]1c1cccc(F)c1	ZINC000218426427	375832408	/nfs/dbraw/zinc/83/24/08/375832408.db2.gz	JPWSRQYNXQUAQT-DCAQKATOSA-N	-1	0	272.297	1.427	40	0		CDABRM
O=C([O-])c1cccn(OCc2cccc(F)c2)c1=O	ZINC000041670711	377688991	/nfs/dbraw/zinc/68/89/91/377688991.db2.gz	XJWHOBMKUHKUNY-UHFFFAOYSA-N	-1	0	263.224	1.314	40	0		CDABRM
O=C([O-])c1ccc2c(c1)ncc(=O)n2C[C@H]1CCCO1	ZINC000096516224	390534075	/nfs/dbraw/zinc/53/40/75/390534075.db2.gz	OYVZEBSWOJOQLY-SNVBAGLBSA-N	-1	0	274.276	1.274	40	0		CDABRM
CC(C)(C)Cn1cc(N2C[C@@H](C(=O)[O-])CC2=O)cn1	ZINC000096528899	390539503	/nfs/dbraw/zinc/53/95/03/390539503.db2.gz	ZVGRUQACYIEZGB-VIFPVBQESA-N	-1	0	265.313	1.367	40	0		CDABRM
CCS(=O)(=O)C1(c2ncc(C(=O)[O-])s2)CCC1	ZINC000096531980	390541540	/nfs/dbraw/zinc/54/15/40/390541540.db2.gz	KNRDUMGJKGRHBV-UHFFFAOYSA-N	-1	0	275.351	1.655	40	0		CDABRM
O=C([O-])c1cccnc1NCC[C@@H](O)C(F)(F)F	ZINC000647454071	390961259	/nfs/dbraw/zinc/96/12/59/390961259.db2.gz	CMMINMDEXGIIFC-SSDOTTSWSA-N	-1	0	264.203	1.505	40	0		CDABRM
Cc1ccc(-n2[n-]c(=O)c(N)c(Cl)c2=O)cc1	ZINC000242522410	391942718	/nfs/dbraw/zinc/94/27/18/391942718.db2.gz	IRHRNGCJXPAIOX-UHFFFAOYSA-N	-1	0	251.673	1.482	40	0		CDABRM
CCc1ccc([C@@H]2[C@@H](S(C)(=O)=O)[C@@H]2C(=O)[O-])cc1	ZINC000218368807	130768834	/nfs/dbraw/zinc/76/88/34/130768834.db2.gz	MJYNCRFVIOEMOU-QJPTWQEYSA-N	-1	0	268.334	1.460	40	0		CDABRM
Cc1cccc(S(=O)(=O)N(C)CCC(=O)[O-])c1F	ZINC000262470632	131223713	/nfs/dbraw/zinc/22/37/13/131223713.db2.gz	UIRZIBAZPZPYEH-UHFFFAOYSA-N	-1	0	275.301	1.229	40	0		CDABRM
COC1(CC(=O)N2CCC[C@@H]2CC(=O)[O-])CCC1	ZINC000234574891	292104208	/nfs/dbraw/zinc/10/42/08/292104208.db2.gz	PXVXSEDZHGFLCP-SNVBAGLBSA-N	-1	0	255.314	1.411	40	0		CDABRM
CSCSC[C@H](NC(=O)c1ccccc1)C(=O)[O-]	ZINC000006425215	170200330	/nfs/dbraw/zinc/20/03/30/170200330.db2.gz	CWPCUDZVTBWDDP-JTQLQIEISA-N	-1	0	285.390	1.923	40	0		CDABRM
COc1ccc(S(=O)(=O)[N-]c2ncc(C=O)cn2)cc1	ZINC000008701482	170346949	/nfs/dbraw/zinc/34/69/49/170346949.db2.gz	ZOKXKVPOEQFZQX-UHFFFAOYSA-N	-1	0	293.304	1.099	40	0		CDABRM
COc1cc(OC)c([C@@H]2C[C@H]2C(=O)[O-])c(OC)c1	ZINC000037381127	173168055	/nfs/dbraw/zinc/16/80/55/173168055.db2.gz	OBSYFNQMPARXGE-RKDXNWHRSA-N	-1	0	252.266	1.901	40	0		CDABRM
CCOC(=O)C1=NN(c2cccc(OC)c2)[C@@H](C(=O)[O-])C1	ZINC000071979424	176307825	/nfs/dbraw/zinc/30/78/25/176307825.db2.gz	PSJWUIGJJJRTAU-GFCCVEGCSA-N	-1	0	292.291	1.278	40	0		CDABRM
CCOC(=O)C1=NN(c2ccccc2F)[C@@H](C(=O)[O-])C1	ZINC000071979292	176307835	/nfs/dbraw/zinc/30/78/35/176307835.db2.gz	ZKBHVAMYLWJRHT-LLVKDONJSA-N	-1	0	280.255	1.408	40	0		CDABRM
O=C([O-])Cn1cc(COc2ccc(F)cc2)nn1	ZINC000072220831	176342836	/nfs/dbraw/zinc/34/28/36/176342836.db2.gz	BKSDLGKKTLBHNX-UHFFFAOYSA-N	-1	0	251.217	1.081	40	0		CDABRM
CC(C)(C)OC(=O)N1CCC[C@@H]1COCC(=O)[O-]	ZINC000079390179	177475084	/nfs/dbraw/zinc/47/50/84/177475084.db2.gz	LXXMRJSJFZZOHU-SECBINFHSA-N	-1	0	259.302	1.487	40	0		CDABRM
CC(C)(C)OC(=O)N1CC2(CO[C@H]2CC(=O)[O-])C1	ZINC000306145896	278380606	/nfs/dbraw/zinc/38/06/06/278380606.db2.gz	UVWFHBRMKZMOKN-QMMMGPOBSA-N	-1	0	257.286	1.097	40	0		CDABRM
CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)CC(=O)[O-]	ZINC000095951391	278387571	/nfs/dbraw/zinc/38/75/71/278387571.db2.gz	QYLQYMUSHYOMKP-VIFPVBQESA-N	-1	0	271.313	1.820	40	0		CDABRM
CC(C)[C@H]1CCC2=C(C(=O)OC2)[C@@H]1/C=C(\CO)C(=O)[O-]	ZINC000031161788	280364023	/nfs/dbraw/zinc/36/40/23/280364023.db2.gz	YWASZTJGPFRWMW-VDUSXYPOSA-N	-1	0	280.320	1.525	40	0	biogenic,in-vitro	CDABRM
COc1cc(OC)c2c(c1)c(=O)c(C(=O)[O-])cn2C	ZINC000036720816	295008951	/nfs/dbraw/zinc/00/89/51/295008951.db2.gz	LOIOHEAEBJYPHF-UHFFFAOYSA-N	-1	0	263.249	1.254	40	0		CDABRM
COc1ccccc1[C@@H]1N[C@@H](C(=O)[O-])Cc2[nH]cnc21	ZINC000005817974	295395900	/nfs/dbraw/zinc/39/59/00/295395900.db2.gz	BLUBUPXNKWMIDX-PWSUYJOCSA-N	-1	0	273.292	1.107	40	0		CDABRM
CC(C)C[C@@H](C(=O)OC(C)(C)C)N1C[C@@H](C(=O)[O-])CC1=O	ZINC001772714829	1159456964	/nfs/dbraw/zinc/45/69/64/1159456964.db2.gz	ZBYXJGFJFIROME-QWRGUYRKSA-N	-1	0	299.367	1.676	40	0		CDABRM
O=C([O-])[C@]1(NC(=O)[C@@H]2CCCOC2)CCc2ccccc21	ZINC000678979097	483240154	/nfs/dbraw/zinc/24/01/54/483240154.db2.gz	ONRUEVYAZRLEBB-WBMJQRKESA-N	-1	0	289.331	1.456	40	0		CDABRM
Cc1ccccc1C[C@@H]1SC[C@@H](C(=O)[O-])NC1=O	ZINC000062712036	525194010	/nfs/dbraw/zinc/19/40/10/525194010.db2.gz	WHABKYFHFFJAEK-QWRGUYRKSA-N	-1	0	265.334	1.222	40	0		CDABRM
CCN1C(=O)N/C(=C/c2cc([N+](=O)[O-])ccc2[O-])C1=O	ZINC000006951319	342001705	/nfs/dbraw/zinc/00/17/05/342001705.db2.gz	FLZCWSNSHVRRPY-RMKNXTFCSA-N	-1	0	277.236	1.213	40	0		CDABRM
COC[C@]1(C(=O)[O-])CCCN1C(=O)CCC(F)(F)F	ZINC000643848862	361931457	/nfs/dbraw/zinc/93/14/57/361931457.db2.gz	NRSNOZHCURXLPN-JTQLQIEISA-N	-1	0	283.246	1.421	40	0		CDABRM
Cc1cc2c(c(=O)n1CCC(=O)[O-])C=CC(C)(C)O2	ZINC000257336356	362587020	/nfs/dbraw/zinc/58/70/20/362587020.db2.gz	YOBIGXMAOBVCQG-UHFFFAOYSA-N	-1	0	263.293	1.816	40	0		CDABRM
CCCCn1c(S[C@@H](C)C(=O)[O-])nc2c1ncnc2N	ZINC000085390647	179047802	/nfs/dbraw/zinc/04/78/02/179047802.db2.gz	YRNFYJJEDAXQHQ-ZETCQYMHSA-N	-1	0	295.368	1.774	40	0		CDABRM
CC[C@H](C)NS(=O)(=O)c1ccc(NC)c(C(=O)[O-])c1	ZINC000098141558	185694115	/nfs/dbraw/zinc/69/41/15/185694115.db2.gz	ROMQVVQGEDLUIG-QMMMGPOBSA-N	-1	0	286.353	1.503	40	0		CDABRM
O=C([O-])Cn1cnc(-c2ccc(Cl)cc2)cc1=O	ZINC000061966045	362958829	/nfs/dbraw/zinc/95/88/29/362958829.db2.gz	CTBMKRPOEXOPMI-UHFFFAOYSA-N	-1	0	264.668	1.648	40	0		CDABRM
O=C([O-])[C@@H]1C(=O)NC[C@H]1c1cccc2ccccc21	ZINC000256050039	350908843	/nfs/dbraw/zinc/90/88/43/350908843.db2.gz	CKLDLZGMCMAFFZ-STQMWFEESA-N	-1	0	255.273	1.754	40	0		CDABRM
CC(C)[C@@H](NC(=O)c1cc(-c2cccnc2)on1)C(=O)[O-]	ZINC000236708541	363385392	/nfs/dbraw/zinc/38/53/92/363385392.db2.gz	YFDIVWHKRFFEOH-GFCCVEGCSA-N	-1	0	289.291	1.576	40	0		CDABRM
O=C([O-])c1cc(NC(=O)CSCCO)ccc1Cl	ZINC000408542668	355977910	/nfs/dbraw/zinc/97/79/10/355977910.db2.gz	KSJUXEJRZAJLLQ-UHFFFAOYSA-N	-1	0	289.740	1.702	40	0		CDABRM
CCCc1ccnc([N-]S(=O)(=O)c2ccc(N)cc2)n1	ZINC000001641315	355944373	/nfs/dbraw/zinc/94/43/73/355944373.db2.gz	NMTKGTNSNXJRJC-UHFFFAOYSA-N	-1	0	292.364	1.812	40	0		CDABRM
Nc1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)cc1	ZINC000001671316	355946425	/nfs/dbraw/zinc/94/64/25/355946425.db2.gz	WNLOVPITXSWKEZ-UHFFFAOYSA-N	-1	0	292.316	1.768	40	0	in-vitro	CDABRM
Cn1c2ccccc2c2oc(-c3nnn[n-]3)cc(=O)c21	ZINC000005580095	356056889	/nfs/dbraw/zinc/05/68/89/356056889.db2.gz	NPXNAEKNDFKQAM-UHFFFAOYSA-N	-1	0	267.248	1.465	40	0		CDABRM
CCc1nn([C@@H](C)C(=O)[O-])c(=O)c2cc3oc(C)cc3n21	ZINC000012115528	356288539	/nfs/dbraw/zinc/28/85/39/356288539.db2.gz	XGJWGKISKGBCRP-QMMMGPOBSA-N	-1	0	289.291	1.759	40	0		CDABRM
C[C@H]1CCCN(S(=O)(=O)c2ccsc2C(=O)[O-])C1	ZINC000015424062	356415534	/nfs/dbraw/zinc/41/55/34/356415534.db2.gz	AFERIANLEUMHED-QMMMGPOBSA-N	-1	0	289.378	1.867	40	0		CDABRM
CCn1cc(CN(C)C(=O)CCC(=O)[O-])c(C)n1	ZINC000036623978	356419050	/nfs/dbraw/zinc/41/90/50/356419050.db2.gz	BZHTYGYAOYGAHX-UHFFFAOYSA-N	-1	0	253.302	1.035	40	0		CDABRM
O=C(NC1C(=O)NC(=S)N=C1[O-])c1ccccn1	ZINC000016957964	356449030	/nfs/dbraw/zinc/44/90/30/356449030.db2.gz	ZOSVFKNOZVUAFZ-UHFFFAOYSA-N	-1	0	264.266	1.198	40	0		CDABRM
CCC[C@@H](C)NS(=O)(=O)c1cccc(C(=O)[O-])c1	ZINC000019387939	356483849	/nfs/dbraw/zinc/48/38/49/356483849.db2.gz	ADXHPJHFYNNJOA-SECBINFHSA-N	-1	0	271.338	1.852	40	0		CDABRM
C[C@@H]1CCCN(C(=O)CC[C@@H]2CCCO2)[C@@H]1C(=O)[O-]	ZINC000235303377	140233982	/nfs/dbraw/zinc/23/39/82/140233982.db2.gz	DBSZVZHUMDMSIN-MDZLAQPJSA-N	-1	0	269.341	1.657	40	0		CDABRM
CC(C)(C)OC(=O)N1Cc2ccnn2[C@@H](CC(=O)[O-])C1	ZINC000306131923	357253431	/nfs/dbraw/zinc/25/34/31/357253431.db2.gz	KTHHDPWIRCNFIB-JTQLQIEISA-N	-1	0	281.312	1.650	40	0		CDABRM
C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)Nc2nn[nH]n2)c1	ZINC000060380409	357441731	/nfs/dbraw/zinc/44/17/31/357441731.db2.gz	HNAZLCCQDIBTCQ-GMSGAONNSA-N	-1	0	286.295	1.047	40	0		CDABRM
CCn1ncc(N2CCC[C@H](C(=O)[O-])C2)c(Cl)c1=O	ZINC000096516188	357522218	/nfs/dbraw/zinc/52/22/18/357522218.db2.gz	PIKJGWXJWHBVCG-QMMMGPOBSA-N	-1	0	285.731	1.218	40	0		CDABRM
COCc1cc(N2CCC(C(=O)[O-])CC2)nc(C2CC2)n1	ZINC000096516929	357522223	/nfs/dbraw/zinc/52/22/23/357522223.db2.gz	BWLIHKPIDCPXHI-UHFFFAOYSA-N	-1	0	291.351	1.801	40	0		CDABRM
Cc1ccc(F)c(NC(=O)[C@@H]2[C@@H](C(=O)[O-])[C@H]3CC[C@@H]2O3)c1	ZINC000016551503	357524337	/nfs/dbraw/zinc/52/43/37/357524337.db2.gz	FFLRQQBZCLWZDY-RNJOBUHISA-N	-1	0	293.294	1.951	40	0		CDABRM
C[C@@H]1CCC[C@@H](C)N1C(=O)[C@H]1[C@@H](C(=O)[O-])[C@H]2CC[C@@H]1O2	ZINC000017008574	357618793	/nfs/dbraw/zinc/61/87/93/357618793.db2.gz	CDRATGVLFXMROI-LYUGOTMTSA-N	-1	0	281.352	1.654	40	0		CDABRM
O=C([O-])C[C@@H](CC(=O)N1CCOCC1)c1ccc(F)cc1	ZINC000057623141	304073647	/nfs/dbraw/zinc/07/36/47/304073647.db2.gz	QGURUHKFQAECGP-GFCCVEGCSA-N	-1	0	295.310	1.633	40	0		CDABRM
O=C([O-])[C@@H](CC(=O)c1cccs1)N1CCOCC1	ZINC000082318109	358159572	/nfs/dbraw/zinc/15/95/72/358159572.db2.gz	KMAWCZABIIHIBX-SECBINFHSA-N	-1	0	269.322	1.106	40	0		CDABRM
Cc1ccc(F)cc1NC(=O)[C@@H]1[C@@H](C(=O)[O-])[C@H]2CC[C@@H]1O2	ZINC000013119498	366444514	/nfs/dbraw/zinc/44/45/14/366444514.db2.gz	KBTYMRLQHKKWIC-RNJOBUHISA-N	-1	0	293.294	1.951	40	0		CDABRM
COc1ccccc1-c1nnc(NC(=O)/C=C\C(=O)[O-])o1	ZINC000216026337	358919439	/nfs/dbraw/zinc/91/94/39/358919439.db2.gz	CWSJGNXTPLORCY-SREVYHEPSA-N	-1	0	289.247	1.325	40	0		CDABRM
Cc1cccc(OCc2ncc(CC(=O)[O-])c(=O)[nH]2)c1	ZINC000217384694	358996859	/nfs/dbraw/zinc/99/68/59/358996859.db2.gz	XBOVKGQBASPFGA-UHFFFAOYSA-N	-1	0	274.276	1.284	40	0		CDABRM
C[C@@H]1Oc2cc(Cl)ccc2N(CC(=O)[O-])C1=O	ZINC000084799092	359004463	/nfs/dbraw/zinc/00/44/63/359004463.db2.gz	WUADZRVGXNOBDL-LURJTMIESA-N	-1	0	255.657	1.539	40	0		CDABRM
Cc1nc2cc3nc(SCC(=O)[O-])[nH]c3cc2[nH]1	ZINC000033373877	359322342	/nfs/dbraw/zinc/32/23/42/359322342.db2.gz	YHALPNITHPQRQS-UHFFFAOYSA-N	-1	0	262.294	1.924	40	0		CDABRM
C[C@@H](NC(=O)/C=C/c1cccc(Cl)c1)C(=O)[O-]	ZINC000033435461	359332821	/nfs/dbraw/zinc/33/28/21/359332821.db2.gz	NFPORLNWZCPSPR-HQZHTGGTSA-N	-1	0	253.685	1.943	40	0		CDABRM
CC(C)C(=O)NC(=S)Nc1ccc(C(=O)[O-])c(O)c1	ZINC000226354559	360694863	/nfs/dbraw/zinc/69/48/63/360694863.db2.gz	ISCCOUKCKXHHHK-UHFFFAOYSA-N	-1	0	282.321	1.559	40	0		CDABRM
COc1ccc(S(=O)(=O)c2cc(O)ccc2[O-])cc1	ZINC000000036614	361538317	/nfs/dbraw/zinc/53/83/17/361538317.db2.gz	ADDXGDKFIMUQSN-UHFFFAOYSA-N	-1	0	280.301	1.939	40	0		CDABRM
CC[C@@]12C[C@@H](c3ccccc3O1)[C@H](C(=O)[O-])C(=O)N2C	ZINC000005317567	364828344	/nfs/dbraw/zinc/82/83/44/364828344.db2.gz	YZUUVEQUJWFXQO-WBIUFABUSA-N	-1	0	275.304	1.832	40	0		CDABRM
CC(C)[C@H]([NH2+]Cc1ccc(C(=O)[O-])cc1)C(=O)[O-]	ZINC000062718077	364834941	/nfs/dbraw/zinc/83/49/41/364834941.db2.gz	CJMIOQXDLOWZGM-NSHDSACASA-N	-1	0	251.282	1.584	40	0		CDABRM
O=C([O-])C1=Cc2ccccc2O[C@@]1(O)C(F)(F)F	ZINC000217808382	367258455	/nfs/dbraw/zinc/25/84/55/367258455.db2.gz	KPOICNLYQATMDD-SNVBAGLBSA-N	-1	0	260.167	1.798	40	0		CDABRM
O=C([O-])[C@H]1CC[C@H](C(=O)N2CCCCC2)N1C1CC1	ZINC000630676284	369683065	/nfs/dbraw/zinc/68/30/65/369683065.db2.gz	WBANOFBRHNQDRM-VXGBXAGGSA-N	-1	0	266.341	1.079	40	0		CDABRM
O=C([O-])[C@@H]1[C@H]2C=C[C@]3(CN(c4ccccc4)C(=O)[C@H]13)O2	ZINC000000485832	304160388	/nfs/dbraw/zinc/16/03/88/304160388.db2.gz	JBIMAHPIXSSPOO-MCYUEQNJSA-N	-1	0	271.272	1.058	40	0		CDABRM
COc1ccc(NC(=O)[C@@H](C)[C@H]2SC(=O)[N-]C2=O)cc1	ZINC000002699287	373467801	/nfs/dbraw/zinc/46/78/01/373467801.db2.gz	LCQOMMOWSZQIAE-OIBJUYFYSA-N	-1	0	294.332	1.621	40	0		CDABRM
CC[C@H](C)[C@H](NC(=O)c1ccc(Cl)cn1)C(=O)[O-]	ZINC000079728614	373853330	/nfs/dbraw/zinc/85/33/30/373853330.db2.gz	BLTBODPDFUNQRJ-XVKPBYJWSA-N	-1	0	270.716	1.964	40	0		CDABRM
CCc1noc(CC)c1CC(=O)N[C@@H](C(=O)[O-])C(C)C	ZINC000225467089	374466553	/nfs/dbraw/zinc/46/65/53/374466553.db2.gz	ORHDHKUSFVAHIW-CYBMUJFWSA-N	-1	0	282.340	1.567	40	0		CDABRM
CC(C)=CC(=O)[N-]S(=O)(=O)c1ccc(C)cc1F	ZINC000080667428	374979014	/nfs/dbraw/zinc/97/90/14/374979014.db2.gz	OJUXZBBRADIOQC-UHFFFAOYSA-N	-1	0	271.313	1.905	40	0		CDABRM
O=Cc1ccc(N[C@H](/C=C/C=C/CO)CC(=O)[O-])cc1	ZINC000031162597	375751932	/nfs/dbraw/zinc/75/19/32/375751932.db2.gz	DRKWUQGWCYRVJI-HZULISLFSA-N	-1	0	275.304	1.859	40	0	biogenic,in-vitro	CDABRM
O=C([O-])CC[C@@H]1NC(=O)N(CCc2ccc(F)cc2)C1=O	ZINC000218714512	375789023	/nfs/dbraw/zinc/78/90/23/375789023.db2.gz	WNZWKLRTICBBFQ-NSHDSACASA-N	-1	0	294.282	1.153	40	0		CDABRM
C[C@@H](Oc1ccc2nc3n(c(=O)c2c1)CCCC3)C(=O)[O-]	ZINC000218781111	375893719	/nfs/dbraw/zinc/89/37/19/375893719.db2.gz	HFDJAQIKIPGMRY-SECBINFHSA-N	-1	0	288.303	1.585	40	0		CDABRM
COc1ccc(Br)c2ncc(C(=O)[O-])c(O)c12	ZINC000038880665	295076022	/nfs/dbraw/zinc/07/60/22/295076022.db2.gz	QNJRBHUZWQYNES-UHFFFAOYSA-N	-1	0	298.092	1.997	40	0		CDABRM
O=C([O-])[C@H]1C[C@H]1C(=O)N1CCCc2sccc2C1	ZINC000225482835	304204458	/nfs/dbraw/zinc/20/44/58/304204458.db2.gz	VVMGFHYCVPUMOV-ZJUUUORDSA-N	-1	0	265.334	1.744	40	0		CDABRM
O=C([O-])c1ccc(N2C(=O)[C@H]3[C@@H]4CC[C@@H](O4)[C@H]3C2=O)cc1	ZINC000001685658	304246440	/nfs/dbraw/zinc/24/64/40/304246440.db2.gz	MRGAEXCMDNFHJM-BKUVIOGVSA-N	-1	0	287.271	1.052	40	0		CDABRM
CC(C)C[C@H]([NH2+]Cc1cccc(OCC(=O)[O-])c1)C(=O)[O-]	ZINC000062717103	256723471	/nfs/dbraw/zinc/72/34/71/256723471.db2.gz	UVCWRKYGKONZBL-ZDUSSCGKSA-N	-1	0	295.335	1.739	40	0		CDABRM
O=C([O-])c1ccn(-c2ccc(=O)n(-c3ccccc3)n2)n1	ZINC000096517421	390533085	/nfs/dbraw/zinc/53/30/85/390533085.db2.gz	GWGZIBNUSFGTKB-UHFFFAOYSA-N	-1	0	282.259	1.116	40	0		CDABRM
CCc1cc(=O)n(Cc2cccc(C(=O)[O-])c2)c(C)n1	ZINC000096531060	390540691	/nfs/dbraw/zinc/54/06/91/390540691.db2.gz	BFKLQPOGRBCLIX-UHFFFAOYSA-N	-1	0	272.304	1.861	40	0		CDABRM
CCCNc1c(Cl)cncc1S(=O)(=O)[O-]	ZINC000072210809	390618410	/nfs/dbraw/zinc/61/84/10/390618410.db2.gz	SXTSWJPXLSJKSZ-UHFFFAOYSA-N	-1	0	250.707	1.804	40	0		CDABRM
Cc1c(Cl)cccc1C(=O)NC[C@@](C)(O)C(=O)[O-]	ZINC000219558808	391057560	/nfs/dbraw/zinc/05/75/60/391057560.db2.gz	SXLZXGGWGZENSD-GFCCVEGCSA-N	-1	0	271.700	1.214	40	0		CDABRM
Cc1cc(=O)n2nc(NC(=O)c3cccs3)[n-]c2n1	ZINC000018250211	291970514	/nfs/dbraw/zinc/97/05/14/291970514.db2.gz	XFIQHSMHDIMVBZ-UHFFFAOYSA-N	-1	0	275.293	1.452	40	0		CDABRM
C[C@H]1CC[C@@H](CCC(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])O1	ZINC000237556113	391246435	/nfs/dbraw/zinc/24/64/35/391246435.db2.gz	NDBMWOOLDOPAMM-FIQHERPVSA-N	-1	0	269.341	1.704	40	0		CDABRM
CO[C@@H](C(=O)[O-])[C@@H]1CCCCN1C(=O)OC(C)(C)C	ZINC000098181613	391247890	/nfs/dbraw/zinc/24/78/90/391247890.db2.gz	HDYQWACVXAZIHH-VHSXEESVSA-N	-1	0	273.329	1.876	40	0		CDABRM
O=C([O-])CCCc1c[n+]([O-])c2cc(Cl)ccc2n1	ZINC000045930180	391541863	/nfs/dbraw/zinc/54/18/63/391541863.db2.gz	LTGOEBWGKUQTGE-UHFFFAOYSA-N	-1	0	266.684	1.929	40	0		CDABRM
CCc1ccc(Cl)c2[n-]c(=S)n(N)c(=O)c12	ZINC000328580412	391987554	/nfs/dbraw/zinc/98/75/54/391987554.db2.gz	KPQDXHDWWIBOCX-UHFFFAOYSA-N	-1	0	255.730	1.615	40	0		CDABRM
O=C([O-])[C@@H](NC(=O)Cc1ccccc1)[C@@H](O)c1ccccc1	ZINC000003040453	169850331	/nfs/dbraw/zinc/85/03/31/169850331.db2.gz	QJJZGNCENCTDFJ-HOTGVXAUSA-N	-1	0	299.326	1.532	40	0		CDABRM
O=Cc1ccc(/C=C2\SC(=O)N(CC(=O)[O-])C2=O)cc1	ZINC000005552958	170112592	/nfs/dbraw/zinc/11/25/92/170112592.db2.gz	QDOSEZLRWWYCOH-YHYXMXQVSA-N	-1	0	291.284	1.620	40	0		CDABRM
NC(=O)c1ccccc1C(=O)Nc1ccc(C(=O)[O-])cc1	ZINC000006863703	170251271	/nfs/dbraw/zinc/25/12/71/170251271.db2.gz	ICMKYZVGUBIDOB-UHFFFAOYSA-N	-1	0	284.271	1.736	40	0		CDABRM
CCC(=O)NC(=S)Nc1ccc(CC(=O)[O-])cc1	ZINC000020151248	171037920	/nfs/dbraw/zinc/03/79/20/171037920.db2.gz	ODYPSKWITOPCQI-UHFFFAOYSA-N	-1	0	266.322	1.537	40	0		CDABRM
O=C([O-])CCSCc1nnnn1-c1ccccc1	ZINC000020275021	171132208	/nfs/dbraw/zinc/13/22/08/171132208.db2.gz	LUXLWNGASBGVAI-UHFFFAOYSA-N	-1	0	264.310	1.370	40	0		CDABRM
Cc1cc(NC(=O)[C@H]2CC(=O)N(C)C2)ccc1C(=O)[O-]	ZINC000044750007	175244877	/nfs/dbraw/zinc/24/48/77/175244877.db2.gz	ZVJRCTRJAIDQNT-VIFPVBQESA-N	-1	0	276.292	1.110	40	0		CDABRM
COc1ccccc1-c1ccc(=O)n(CCC(=O)[O-])n1	ZINC000070458862	175941810	/nfs/dbraw/zinc/94/18/10/175941810.db2.gz	MOPLVZIIDZGHRB-UHFFFAOYSA-N	-1	0	274.276	1.394	40	0		CDABRM
Cn1nc(OCC(=O)[O-])c2cc(Br)ccc21	ZINC000072220022	176342703	/nfs/dbraw/zinc/34/27/03/176342703.db2.gz	ASWFDALSWSNHEP-UHFFFAOYSA-N	-1	0	285.097	1.799	40	0		CDABRM
Cc1nn(C)c(C)c1[N-]S(=O)(=O)c1cnn(C(C)C)c1	ZINC000072239133	176347373	/nfs/dbraw/zinc/34/73/73/176347373.db2.gz	YAUWGYUDVWKKTI-UHFFFAOYSA-N	-1	0	297.384	1.615	40	0		CDABRM
CCOC(=O)c1n[nH]c(Br)c1COC	ZINC000225808008	262374643	/nfs/dbraw/zinc/37/46/43/262374643.db2.gz	CFFVFKYDPAHZMA-UHFFFAOYSA-N	-1	0	263.091	1.495	40	0		CDABRM
COc1ccc([C@@H]2NC(=O)N=C(C)[C@@H]2C(=O)[O-])cc1	ZINC000100265347	295227406	/nfs/dbraw/zinc/22/74/06/295227406.db2.gz	DDOJXDKILYFWEI-QWRGUYRKSA-N	-1	0	262.265	1.621	40	0		CDABRM
Cc1nn(-c2ccc(Br)c(C)n2)nc1C(=O)[O-]	ZINC000089263488	302725764	/nfs/dbraw/zinc/72/57/64/302725764.db2.gz	GCCRTINCNXMPOC-UHFFFAOYSA-N	-1	0	297.112	1.740	40	0		CDABRM
NC(=O)c1c(-c2ccccc2)cn2c1nccc2C(=O)[O-]	ZINC000001616167	303338547	/nfs/dbraw/zinc/33/85/47/303338547.db2.gz	NHXHIXQLFJFMKJ-UHFFFAOYSA-N	-1	0	281.271	1.798	40	0		CDABRM
Cc1nn(C)c(C(=O)[O-])c1CNC(=O)OC(C)(C)C	ZINC001772715116	1159456974	/nfs/dbraw/zinc/45/69/74/1159456974.db2.gz	CRQYWZHOSHBVAT-UHFFFAOYSA-N	-1	0	269.301	1.451	40	0		CDABRM
CCc1[nH]ccc1C(=O)N[C@@]1(CC(=O)[O-])CCCOC1	ZINC000909693582	628643583	/nfs/dbraw/zinc/64/35/83/628643583.db2.gz	RFEGVXKYLVXRLX-CQSZACIVSA-N	-1	0	280.324	1.331	40	0		CDABRM
CNC(=O)c1ccc(-c2ccc3c(c2)C(=O)C(=O)N3)cc1	ZINC000254286860	362447040	/nfs/dbraw/zinc/44/70/40/362447040.db2.gz	JXOSVPCBZJCABA-UHFFFAOYSA-N	-1	0	280.283	1.848	40	0		CDABRM
COc1nc(C)ccc1C(=O)N=c1[n-]nc2n1CCCC2	ZINC000332376274	362495688	/nfs/dbraw/zinc/49/56/88/362495688.db2.gz	ZKGFEJQKXZIPEG-UHFFFAOYSA-N	-1	0	287.323	1.001	40	0		CDABRM
COc1cc(C=C(C#N)C#N)ccc1OCC(=O)[O-]	ZINC000023162622	348737492	/nfs/dbraw/zinc/73/74/92/348737492.db2.gz	XHZHUXAXEDJLIL-UHFFFAOYSA-N	-1	0	258.233	1.589	40	0		CDABRM
CCCc1nnc(SCC(=O)[O-])n1C[C@H]1CCCO1	ZINC000001355848	363010874	/nfs/dbraw/zinc/01/08/74/363010874.db2.gz	QEKJKAHIKVVFBF-SECBINFHSA-N	-1	0	285.369	1.586	40	0		CDABRM
CC(=O)N[C@@H](C(=O)[O-])[C@@H](C)SCc1ccccc1	ZINC000001868662	355953888	/nfs/dbraw/zinc/95/38/88/355953888.db2.gz	XXPFZRAVDWYRES-BXKDBHETSA-N	-1	0	267.350	1.898	40	0		CDABRM
Nc1cc(SCC(=O)[O-])nc(Cc2ccccc2)n1	ZINC000049470077	357217601	/nfs/dbraw/zinc/21/76/01/357217601.db2.gz	HOKJHWAEZYJSDZ-UHFFFAOYSA-N	-1	0	275.333	1.826	40	0		CDABRM
O=C([O-])CCc1cnc(-c2ccc(F)cc2)[nH]c1=O	ZINC000082167530	358150754	/nfs/dbraw/zinc/15/07/54/358150754.db2.gz	WELIGVKHSAMGIA-UHFFFAOYSA-N	-1	0	262.240	1.593	40	0		CDABRM
CCCCNS(=O)(=O)c1ccc(NC)c(C(=O)[O-])c1	ZINC000098141555	358814286	/nfs/dbraw/zinc/81/42/86/358814286.db2.gz	UCKAEUHRRZECHA-UHFFFAOYSA-N	-1	0	286.353	1.505	40	0		CDABRM
CCSc1nc(C)c(I)c(=O)[n-]1	ZINC000013602632	366496016	/nfs/dbraw/zinc/49/60/16/366496016.db2.gz	BNGMUBAKSFLWMH-UHFFFAOYSA-N	-1	0	296.133	1.795	40	0		CDABRM
O=C([O-])Cc1cnc(COc2ccccc2F)[nH]c1=O	ZINC000217384985	358998170	/nfs/dbraw/zinc/99/81/70/358998170.db2.gz	SOHCMVVTPWGSJD-UHFFFAOYSA-N	-1	0	278.239	1.115	40	0		CDABRM
COc1ccc(N2N=C(C(=O)[O-])CC2=O)cc1OC	ZINC000217697222	359019722	/nfs/dbraw/zinc/01/97/22/359019722.db2.gz	HFAXBMKHPZQLKR-UHFFFAOYSA-N	-1	0	264.237	1.293	40	0		CDABRM
CCc1ccccc1-n1nc(C(C)=O)cc(C(=O)[O-])c1=O	ZINC000225965986	359636261	/nfs/dbraw/zinc/63/62/61/359636261.db2.gz	MDHMZLZBBOPVRP-UHFFFAOYSA-N	-1	0	286.287	1.696	40	0		CDABRM
O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)NCCc1ccncc1	ZINC000000808158	364240605	/nfs/dbraw/zinc/24/06/05/364240605.db2.gz	WIFRIQKOEKPSMK-QWHCGFSZSA-N	-1	0	274.320	1.407	40	0		CDABRM
O=C([O-])COc1cccc(-c2nn3cnnc3s2)c1	ZINC000226298146	367363710	/nfs/dbraw/zinc/36/37/10/367363710.db2.gz	FUOFIHDPEKYDKZ-UHFFFAOYSA-N	-1	0	276.277	1.316	40	0		CDABRM
CCC(=O)[N-]S(=O)(=O)c1ccc(F)c(Cl)c1	ZINC000225472989	374480929	/nfs/dbraw/zinc/48/09/29/374480929.db2.gz	VXGRFJDQXCRMFS-UHFFFAOYSA-N	-1	0	265.693	1.694	40	0		CDABRM
C[C@@H](C(=O)[O-])n1ncc2ccc(Br)cc2c1=O	ZINC000095095817	374868310	/nfs/dbraw/zinc/86/83/10/374868310.db2.gz	OJENRWGSTPFDMT-LURJTMIESA-N	-1	0	297.108	1.805	40	0		CDABRM
CCOC(=O)Cc1n[n-]c(-c2ccccc2)cc1=O	ZINC000003127023	375550159	/nfs/dbraw/zinc/55/01/59/375550159.db2.gz	LNYGVVCJEGHEDM-UHFFFAOYSA-N	-1	0	258.277	1.543	40	0		CDABRM
Cc1ccc(Cc2sc(N)nc2O)c(C(=O)[O-])c1	ZINC000257173405	190006037	/nfs/dbraw/zinc/00/60/37/190006037.db2.gz	LZGUCCZOKWQWKS-SECBINFHSA-N	-1	0	264.306	1.192	40	0		CDABRM
COc1ccc([C@@](O)(C(=O)[O-])C(F)(F)F)cc1	ZINC000031829486	375840452	/nfs/dbraw/zinc/84/04/52/375840452.db2.gz	CLDPTGNQDNEKNP-SECBINFHSA-N	-1	0	250.172	1.530	40	0		CDABRM
CNc1cncc([C@@H]2CCCN2C(=O)CCC(=O)[O-])n1	ZINC000257310138	190032097	/nfs/dbraw/zinc/03/20/97/190032097.db2.gz	UDVAOPORWGHVCH-JTQLQIEISA-N	-1	0	278.312	1.047	40	0		CDABRM
CN1C(=O)CC[C@H](C(=O)[O-])[C@@H]1c1ccc(F)cc1	ZINC000070272577	377046020	/nfs/dbraw/zinc/04/60/20/377046020.db2.gz	RRNIXCZCEGERKE-JQWIXIFHSA-N	-1	0	251.257	1.820	40	0		CDABRM
O=C([O-])c1ccc(-c2nn[nH]n2)c(Br)c1	ZINC000039951885	304231010	/nfs/dbraw/zinc/23/10/10/304231010.db2.gz	PPTCTJHIJVJYRQ-UHFFFAOYSA-N	-1	0	269.058	1.327	40	0		CDABRM
COc1ccc([C@@H]2COC(=O)[C@H]2C(=O)[O-])cc1OC	ZINC000242592440	256698439	/nfs/dbraw/zinc/69/84/39/256698439.db2.gz	OUQWZIPKUAMFEX-GZMMTYOYSA-N	-1	0	266.249	1.045	40	0		CDABRM
CCS(=O)(=O)C1(c2ncc(C(=O)[O-])s2)CC1	ZINC000096531943	390542010	/nfs/dbraw/zinc/54/20/10/390542010.db2.gz	HVOWPCOHMOLPIF-UHFFFAOYSA-N	-1	0	261.324	1.265	40	0		CDABRM
CS(=O)(=O)[C@@H]1[C@@H](C(=O)[O-])[C@H]1c1ccc(Cl)cc1	ZINC000242575047	391203092	/nfs/dbraw/zinc/20/30/92/391203092.db2.gz	NPOQREJGMUQCHA-UTLUCORTSA-N	-1	0	274.725	1.551	40	0		CDABRM
Cc1c(Cl)cccc1-n1c(=O)cc(C(=O)[O-])[nH]c1=O	ZINC000222649454	391913255	/nfs/dbraw/zinc/91/32/55/391913255.db2.gz	FSIHIHSOORYOPI-UHFFFAOYSA-N	-1	0	280.667	1.186	40	0		CDABRM
O=C([O-])[C@H]1[C@@H](Oc2ccccc2)C(=O)N1c1ccccc1	ZINC000218275140	130768097	/nfs/dbraw/zinc/76/80/97/130768097.db2.gz	DZYWAMXNFIUTAA-ZIAGYGMSSA-N	-1	0	283.283	1.934	40	0		CDABRM
CC(C)(C)c1ccc(C(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])cc1	ZINC000021969336	171344241	/nfs/dbraw/zinc/34/42/41/171344241.db2.gz	WFXBCSPJGADDFD-STQMWFEESA-N	-1	0	291.347	1.644	40	0		CDABRM
CSCC[C@@H](C(=O)[O-])N1C(=O)CC2(CCCCC2)C1=O	ZINC000035280334	172098616	/nfs/dbraw/zinc/09/86/16/172098616.db2.gz	PFHJAGXQSYVJJC-JTQLQIEISA-N	-1	0	299.392	1.902	40	0		CDABRM
COCCCNS(=O)(=O)c1ccc(C)c(C(=O)[O-])c1	ZINC000035670863	172343186	/nfs/dbraw/zinc/34/31/86/172343186.db2.gz	SCPUTASTHRWVHM-UHFFFAOYSA-N	-1	0	287.337	1.008	40	0		CDABRM
O=C([O-])[C@@H]1C[C@H](O)[C@@H](Nc2ccc(C(F)(F)F)nn2)C1	ZINC000662898060	413677978	/nfs/dbraw/zinc/67/79/78/413677978.db2.gz	RFROXGLFKHHPMC-ACZMJKKPSA-N	-1	0	291.229	1.131	40	0		CDABRM
CCOC(=O)C1=NN(c2cc(C)ccc2C)[C@H](C(=O)[O-])C1	ZINC000071979323	176307738	/nfs/dbraw/zinc/30/77/38/176307738.db2.gz	YJLYZHWGSFHBOT-ZDUSSCGKSA-N	-1	0	290.319	1.886	40	0		CDABRM
CCOC(=O)C1=NN(c2cccc(C)c2C)[C@@H](C(=O)[O-])C1	ZINC000071979234	176307814	/nfs/dbraw/zinc/30/78/14/176307814.db2.gz	LUNNCNZIRFTYBS-CYBMUJFWSA-N	-1	0	290.319	1.886	40	0		CDABRM
COc1cc(C2=NO[C@@](C)(C(=O)[O-])C2)ccc1F	ZINC000071981098	176308102	/nfs/dbraw/zinc/30/81/02/176308102.db2.gz	AAQNKNMAFSDHEM-GFCCVEGCSA-N	-1	0	253.229	1.802	40	0		CDABRM
O=C([O-])[C@H]1C(=O)NC[C@H]1c1cccc(Br)c1	ZINC000076727987	177071545	/nfs/dbraw/zinc/07/15/45/177071545.db2.gz	VTNOBLLZYPYDGE-DTWKUNHWSA-N	-1	0	284.109	1.363	40	0		CDABRM
CC1(C)[C@@H](C(=O)NCCCO)CC[C@]1(C)C(=O)[O-]	ZINC000006829060	281434746	/nfs/dbraw/zinc/43/47/46/281434746.db2.gz	RSYGNBOPCPSFKR-NOZJJQNGSA-N	-1	0	257.330	1.012	40	0		CDABRM
C[C@H]1[C@H](NC(=O)c2nn(C)cc2C(=O)[O-])CCC[C@@H]1C	ZINC000020616077	300708223	/nfs/dbraw/zinc/70/82/23/300708223.db2.gz	AXZANOICVAFKFQ-IQJOONFLSA-N	-1	0	279.340	1.673	40	0		CDABRM
CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccccc21)C(=O)[O-]	ZINC000090983093	601057327	/nfs/dbraw/zinc/05/73/27/601057327.db2.gz	IMSUFWQALJYVFI-XDTLVQLUSA-N	-1	0	261.321	1.942	40	0		CDABRM
CC(C)(C)OC(=O)N[C@]1(C(=O)[O-])C[C@H]1c1cn[nH]c1	ZINC000242750540	757025471	/nfs/dbraw/zinc/02/54/71/757025471.db2.gz	ZRCXGNDESAXUQC-QPUJVOFHSA-N	-1	0	267.285	1.245	40	0		CDABRM
CC(C)(C)OC(=O)N1CC(O)(c2ccc(C(=O)[O-])cc2)C1	ZINC001542984502	967258076	/nfs/dbraw/zinc/25/80/76/967258076.db2.gz	IAUXTZFBZGLNQB-UHFFFAOYSA-N	-1	0	293.319	1.823	40	0		CDABRM
CSc1nc2n(n1)[C@H](c1cccnc1)CC(C(=O)[O-])=N2	ZINC000102335751	295690140	/nfs/dbraw/zinc/69/01/40/295690140.db2.gz	OIRAHCRKYNBDAN-VIFPVBQESA-N	-1	0	289.320	1.378	40	0		CDABRM
CCOC(=O)C(C)=C([O-])c1ccc2c(c1)OCCO2	ZINC000085396804	179049746	/nfs/dbraw/zinc/04/97/46/179049746.db2.gz	VHMGKOBIGJWSPO-VIFPVBQESA-N	-1	0	264.277	1.840	40	0		CDABRM
CCOc1ccc([C@H]2OC(=O)C[C@@H]2C(=O)[O-])cc1OC	ZINC000085394822	179049310	/nfs/dbraw/zinc/04/93/10/179049310.db2.gz	IXTFDARLIDACQL-TVQRCGJNSA-N	-1	0	280.276	1.783	40	0		CDABRM
Cc1nn(-c2ccc3c(c2)OCO3)c(C)c1CC(=O)[O-]	ZINC000085398085	179050625	/nfs/dbraw/zinc/05/06/25/179050625.db2.gz	VNBDCAXDRNGVPE-UHFFFAOYSA-N	-1	0	274.276	1.845	40	0		CDABRM
COC(=O)COc1ccc(C(C)(C)CC(=O)[O-])cc1	ZINC000085398510	179050244	/nfs/dbraw/zinc/05/02/44/179050244.db2.gz	ZGDOWBQVANGTSJ-UHFFFAOYSA-N	-1	0	266.293	1.991	40	0		CDABRM
O=S(=O)([O-])Cc1nnc(-c2ccc(Cl)cc2)o1	ZINC000408712122	356097275	/nfs/dbraw/zinc/09/72/75/356097275.db2.gz	NWFLGTOFYWRKBD-UHFFFAOYSA-N	-1	0	274.685	1.778	40	0		CDABRM
CCOc1ccc(/C=C2\NC(=O)[N-]C2=O)cc1OC	ZINC000015012688	356404291	/nfs/dbraw/zinc/40/42/91/356404291.db2.gz	POWHTGRPTHIORG-TWGQIWQCSA-N	-1	0	262.265	1.274	40	0		CDABRM
COC[C@@H](NC(=O)OCc1ccccc1)C(=O)[O-]	ZINC000016697391	356445798	/nfs/dbraw/zinc/44/57/98/356445798.db2.gz	LQHGCFKPNOTYIQ-SNVBAGLBSA-N	-1	0	253.254	1.012	40	0		CDABRM
C[C@@H](Nc1ccccc1C(=O)N1CCOCC1)C(=O)[O-]	ZINC000034797522	356820356	/nfs/dbraw/zinc/82/03/56/356820356.db2.gz	QFZJTUDGIVNTLB-SNVBAGLBSA-N	-1	0	278.308	1.044	40	0		CDABRM
O=C([O-])C(=O)c1ccc(I)cc1	ZINC000034961547	356825221	/nfs/dbraw/zinc/82/52/21/356825221.db2.gz	NJOIIFGIRJJRNY-UHFFFAOYSA-N	-1	0	276.029	1.559	40	0		CDABRM
CCc1ccc(C[C@@H](C(=O)[O-])N2CCOCC2)cc1	ZINC000041356128	357031998	/nfs/dbraw/zinc/03/19/98/357031998.db2.gz	FSZDJKBCKMUEHI-AWEZNQCLSA-N	-1	0	263.337	1.577	40	0		CDABRM
CO[C@H]1CC[C@@H](NC(=O)c2cccc(C(=O)[O-])c2)C1	ZINC000235025138	357447279	/nfs/dbraw/zinc/44/72/79/357447279.db2.gz	IBJKVTHUSXLDOU-NEPJUHHUSA-N	-1	0	263.293	1.682	40	0		CDABRM
O=C([O-])[C@H]1CCCN(c2nccn3nc(C4CC4)cc23)C1	ZINC000096516386	357522204	/nfs/dbraw/zinc/52/22/04/357522204.db2.gz	LQJZRAQFNIBWAQ-NSHDSACASA-N	-1	0	286.335	1.908	40	0		CDABRM
O=C([O-])[C@@H]1CCCN1C(=O)/C=C/c1ccc(F)cc1	ZINC000003223674	358518731	/nfs/dbraw/zinc/51/87/31/358518731.db2.gz	ZLKVXXNVPOYBLY-ZCRIDZFUSA-N	-1	0	263.268	1.915	40	0		CDABRM
O=C([O-])Cc1cnc(COc2ccc(F)cc2)[nH]c1=O	ZINC000217384892	358998342	/nfs/dbraw/zinc/99/83/42/358998342.db2.gz	GRPOYOXRNAKZCZ-UHFFFAOYSA-N	-1	0	278.239	1.115	40	0		CDABRM
Cc1nc(CN2C(=O)c3ccccc3C2=O)ncc1C(=O)[O-]	ZINC000223178497	359405061	/nfs/dbraw/zinc/40/50/61/359405061.db2.gz	OKXPQNHRHDZWGS-UHFFFAOYSA-N	-1	0	297.270	1.279	40	0		CDABRM
CC(=O)c1cc(C(=O)[O-])c(=O)n(-c2cccc(C)c2)n1	ZINC000225965835	359636141	/nfs/dbraw/zinc/63/61/41/359636141.db2.gz	VYDQCZQOABDCHL-UHFFFAOYSA-N	-1	0	272.260	1.442	40	0		CDABRM
C[C@@H]1CC[C@@H](CCC(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])O1	ZINC000237379628	361382488	/nfs/dbraw/zinc/38/24/88/361382488.db2.gz	NDBMWOOLDOPAMM-NOOOWODRSA-N	-1	0	269.341	1.704	40	0		CDABRM
O=C([O-])[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C(=O)Nc1nccs1	ZINC000000068139	361554901	/nfs/dbraw/zinc/55/49/01/361554901.db2.gz	RDPDUAPMZVKZPJ-KZVJFYERSA-N	-1	0	266.322	1.829	40	0		CDABRM
COc1ccc(NC(=O)CSCC(=O)[O-])c(OC)c1	ZINC000000420797	361726468	/nfs/dbraw/zinc/72/64/68/361726468.db2.gz	MDAAMHXJMYUENL-UHFFFAOYSA-N	-1	0	285.321	1.460	40	0		CDABRM
O=C([O-])[C@@H]1CC(=O)O[C@@H]1c1ccc2c(c1)OCO2	ZINC000039348933	367283343	/nfs/dbraw/zinc/28/33/43/367283343.db2.gz	IHGHHHLDVPOAER-RDDDGLTNSA-N	-1	0	250.206	1.104	40	0		CDABRM
CC[C@](C)(OC)C(=O)Nc1ccc(OCC(=O)[O-])cc1	ZINC000225601279	189759160	/nfs/dbraw/zinc/75/91/60/189759160.db2.gz	APHQZAVMIWCZSH-AWEZNQCLSA-N	-1	0	281.308	1.904	40	0		CDABRM
COc1ccc(NC(=O)[C@@H](C)[C@@H]2SC(=O)[N-]C2=O)cc1	ZINC000002699284	373467629	/nfs/dbraw/zinc/46/76/29/373467629.db2.gz	LCQOMMOWSZQIAE-XVKPBYJWSA-N	-1	0	294.332	1.621	40	0		CDABRM
CS(=O)(=O)[C@@H]1[C@@H](C(=O)[O-])[C@@H]1c1ccc(Cl)cc1	ZINC000218354653	375819375	/nfs/dbraw/zinc/81/93/75/375819375.db2.gz	NPOQREJGMUQCHA-GUBZILKMSA-N	-1	0	274.725	1.551	40	0		CDABRM
O=C([O-])[C@@H]1[C@H](C(=O)NCc2ccccn2)[C@@H]2CC[C@H]1C2	ZINC000004004074	375836927	/nfs/dbraw/zinc/83/69/27/375836927.db2.gz	NOIMZFNDJUMGEK-DNIRFERGSA-N	-1	0	274.320	1.445	40	0		CDABRM
COc1cc(C2=C(C(=O)[O-])C(=O)OC2)cc(OC)c1OC	ZINC000252495769	256690114	/nfs/dbraw/zinc/69/01/14/256690114.db2.gz	OZNKYNDLAIOOTR-UHFFFAOYSA-N	-1	0	294.259	1.107	40	0		CDABRM
CCS(=O)(=O)[C@@H]1[C@H](C(=O)[O-])[C@H]1c1ccc(F)cc1	ZINC000242722961	256697928	/nfs/dbraw/zinc/69/79/28/256697928.db2.gz	XZUXFHCEUDLFLX-MXWKQRLJSA-N	-1	0	272.297	1.427	40	0		CDABRM
CC(C)C[C@@H](C(=O)[O-])N1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@@H]2C1=O	ZINC000013774152	390209334	/nfs/dbraw/zinc/20/93/34/390209334.db2.gz	DHQLZILRNNWMGY-OSUNSFLBSA-N	-1	0	277.320	1.293	40	0		CDABRM
O=C([O-])C1=C(c2ccc3c(c2)OCCO3)CCS1(=O)=O	ZINC000072210212	390617461	/nfs/dbraw/zinc/61/74/61/390617461.db2.gz	UINMPHQMDWIDAA-UHFFFAOYSA-N	-1	0	296.300	1.072	40	0		CDABRM
COc1cc(I)c(O)c(C(=O)[O-])c1	ZINC000225280398	391956996	/nfs/dbraw/zinc/95/69/96/391956996.db2.gz	XNHJVVXUAZHCMH-UHFFFAOYSA-N	-1	0	294.044	1.704	40	0		CDABRM
O=C([O-])[C@@H](c1cccc(Cl)c1)N1CCS(=O)CC1	ZINC000574212792	392544266	/nfs/dbraw/zinc/54/42/66/392544266.db2.gz	FADZZLPXNKWPGT-LLVKDONJSA-N	-1	0	287.768	1.530	40	0		CDABRM
COc1cccc(CN2C(=O)CC[C@@H]2C(=O)[O-])c1OC	ZINC000062709445	392801563	/nfs/dbraw/zinc/80/15/63/392801563.db2.gz	HOFDYWVKYYBZCD-SNVBAGLBSA-N	-1	0	279.292	1.279	40	0		CDABRM
C[C@H](Oc1ccc2c(c1)[C@@H]1CCO[C@H]1O2)C(=O)[O-]	ZINC000242498668	393195969	/nfs/dbraw/zinc/19/59/69/393195969.db2.gz	HMZHPDRSJJCXBS-XICLSFFLSA-N	-1	0	250.250	1.761	40	0		CDABRM
O=C([O-])C[C@H]1CCCN1C(=O)c1cnn2ccccc12	ZINC000231893079	140219965	/nfs/dbraw/zinc/21/99/65/140219965.db2.gz	NBXJNWGMLDUHQJ-SNVBAGLBSA-N	-1	0	273.292	1.414	40	0		CDABRM
COC[C@H](NC(=O)OCc1ccccc1)C(=O)[O-]	ZINC000002513239	169797875	/nfs/dbraw/zinc/79/78/75/169797875.db2.gz	LQHGCFKPNOTYIQ-JTQLQIEISA-N	-1	0	253.254	1.012	40	0		CDABRM
O=C([O-])[C@H](Cc1ccccc1)Nc1ncnc2n[nH]cc21	ZINC000008553676	170339857	/nfs/dbraw/zinc/33/98/57/170339857.db2.gz	NOIOVKUDIPHHJR-NSHDSACASA-N	-1	0	283.291	1.461	40	0		CDABRM
O=C([O-])[C@@H](c1cccc(Cl)c1)N1CCOCC1	ZINC000008699026	170346184	/nfs/dbraw/zinc/34/61/84/170346184.db2.gz	GJZNWRAIZQBMNP-LLVKDONJSA-N	-1	0	255.701	1.798	40	0		CDABRM
Cc1[nH]c(=O)n(-c2ccc(Cl)cc2)c(=O)c1CC(=O)[O-]	ZINC000020156487	171039291	/nfs/dbraw/zinc/03/92/91/171039291.db2.gz	QQRYCBXIBIDTAH-UHFFFAOYSA-N	-1	0	294.694	1.115	40	0		CDABRM
CSCC[C@H](C(=O)[O-])N1C(=O)CC2(CCCCC2)C1=O	ZINC000035280336	172098607	/nfs/dbraw/zinc/09/86/07/172098607.db2.gz	PFHJAGXQSYVJJC-SNVBAGLBSA-N	-1	0	299.392	1.902	40	0		CDABRM
O=C([O-])Cc1nc2nc(-c3ccco3)cc(C(F)F)n2n1	ZINC000035655486	172331565	/nfs/dbraw/zinc/33/15/65/172331565.db2.gz	KIKGWFZZNJRTRX-UHFFFAOYSA-N	-1	0	294.217	1.949	40	0		CDABRM
N[C@@H](Cc1ccc(C(=O)[O-])cc1)C(=O)OCc1ccccc1	ZINC000078171727	177325543	/nfs/dbraw/zinc/32/55/43/177325543.db2.gz	YIVHEQDNFAVXIP-HNNXBMFYSA-N	-1	0	299.326	1.998	40	0		CDABRM
CC(C)Cn1c2ccccc2nc1S(=O)(=O)[O-]	ZINC000005689982	279239831	/nfs/dbraw/zinc/23/98/31/279239831.db2.gz	HAXCIDOKZMLZAV-UHFFFAOYSA-O	-1	0	255.319	1.358	40	0		CDABRM
Cc1c(=O)ccn(-c2nc3ccccc3[nH]2)c1C(=O)[O-]	ZINC000065734530	300908056	/nfs/dbraw/zinc/90/80/56/300908056.db2.gz	CBHQVBYUZFZICT-UHFFFAOYSA-N	-1	0	269.260	1.720	40	0	in-vitro	CDABRM
CCOC(=O)C1=C([O-])c2cc(OC)c(OC)cc2C1	ZINC000071618210	327104936	/nfs/dbraw/zinc/10/49/36/327104936.db2.gz	MHNGDAMDDQGRJJ-JTQLQIEISA-N	-1	0	264.277	1.622	40	0		CDABRM
CNc1ccccc1-c1nnc(SCC(=O)[O-])n1C	ZINC000228978110	482990514	/nfs/dbraw/zinc/99/05/14/482990514.db2.gz	KFYJFPNDRKAVFY-UHFFFAOYSA-N	-1	0	278.337	1.701	40	0		CDABRM
CC(C)(C)OC(=O)Nc1nccc(CC(=O)[O-])n1	ZINC000228934137	570372939	/nfs/dbraw/zinc/37/29/39/570372939.db2.gz	KUGFJPWKPNIJKO-UHFFFAOYSA-N	-1	0	253.258	1.451	40	0		CDABRM
C[C@@H](CC(=O)Nc1c[nH]nc1C(=O)[O-])C(F)(F)F	ZINC000902232325	624579589	/nfs/dbraw/zinc/57/95/89/624579589.db2.gz	CUFALOFZTXLYFO-BYPYZUCNSA-N	-1	0	265.191	1.635	40	0		CDABRM
O=C([O-])[C@@H]1CC(c2cnc(N3CCCCC3)nc2)=NO1	ZINC000226080859	1160425475	/nfs/dbraw/zinc/42/54/75/1160425475.db2.gz	VNMCUYKTVPVBKQ-NSHDSACASA-N	-1	0	276.296	1.045	40	0		CDABRM
O=C1[N-]C(=O)N(C2CCCC2)C(=O)/C1=C/c1ccoc1	ZINC000008477420	342003923	/nfs/dbraw/zinc/00/39/23/342003923.db2.gz	UHRULSPYGLFMRX-YRNVUSSQSA-N	-1	0	274.276	1.684	40	0		CDABRM
COc1cccc(NC=C2SC([O-])=NC2=O)c1	ZINC000584906273	342111820	/nfs/dbraw/zinc/11/18/20/342111820.db2.gz	NMQCHLUFDZRORB-TWGQIWQCSA-N	-1	0	250.279	1.932	40	0		CDABRM
C[C@@H]1CC[C@@H]2C(C(=O)[O-])=C[C@]3(O)[C@@H](O)C(C)(C)C[C@@]123	ZINC000604381335	344885649	/nfs/dbraw/zinc/88/56/49/344885649.db2.gz	JNCGMAOIGAQWEQ-QMSFMSKCSA-N	-1	0	266.337	1.565	40	0	biogenic,in-vitro	CDABRM
C[C@@H]1CC[C@@H]2C(C(=O)[O-])=C[C@]3(O)[C@@H](O)C(C)(C)C[C@]123	ZINC000604381330	344885693	/nfs/dbraw/zinc/88/56/93/344885693.db2.gz	JNCGMAOIGAQWEQ-MCLGGCLGSA-N	-1	0	266.337	1.565	40	0	biogenic,in-vitro	CDABRM
CC1CCN(c2nsnc2OCC(=O)[O-])CC1	ZINC000085394186	179048944	/nfs/dbraw/zinc/04/89/44/179048944.db2.gz	FLWUVAODKVUWCJ-UHFFFAOYSA-N	-1	0	257.315	1.238	40	0		CDABRM
COc1cc(C=C(C(C)=O)C(C)=O)ccc1OCC(=O)[O-]	ZINC000006295922	348730333	/nfs/dbraw/zinc/73/03/33/348730333.db2.gz	WOXYMYGVHKTYBA-UHFFFAOYSA-N	-1	0	292.287	1.720	40	0		CDABRM
O=C(Nc1ccccn1)c1ccccc1S(=O)(=O)[O-]	ZINC000006244444	304009383	/nfs/dbraw/zinc/00/93/83/304009383.db2.gz	QMHRFTZUQZQDGD-UHFFFAOYSA-N	-1	0	278.289	1.581	40	0		CDABRM
O=C([O-])[C@H]1CCCC[C@H]1C(=O)NC[C@H]1CCCO1	ZINC000012492313	366044343	/nfs/dbraw/zinc/04/43/43/366044343.db2.gz	YVVSNSZUJWTKKY-MXWKQRLJSA-N	-1	0	255.314	1.173	40	0		CDABRM
C[C@@H]([N-]S(=O)(=O)N1CCOC1=O)c1ccccc1	ZINC000001590296	355940843	/nfs/dbraw/zinc/94/08/43/355940843.db2.gz	XNCDAWKGNHVSHX-SECBINFHSA-N	-1	0	270.310	1.034	40	0		CDABRM
O=C([O-])/C=C/C(=O)Nc1nnc(-c2ccccc2F)s1	ZINC000000897613	355923660	/nfs/dbraw/zinc/92/36/60/355923660.db2.gz	OPOSLYAOEQDPOX-AATRIKPKSA-N	-1	0	293.279	1.924	40	0		CDABRM
CC[C@H](C)[C@H](NS(=O)(=O)Cc1ccccc1)C(=O)[O-]	ZINC000001594005	355941334	/nfs/dbraw/zinc/94/13/34/355941334.db2.gz	BONOQNDSZHYLAR-JQWIXIFHSA-N	-1	0	285.365	1.605	40	0		CDABRM
CC(=O)O[C@@H](C(=O)N[C@@H](C(=O)[O-])C(C)C)c1ccccc1	ZINC000001707417	355948827	/nfs/dbraw/zinc/94/88/27/355948827.db2.gz	WBASBTDYIIRCIK-CHWSQXEVSA-N	-1	0	293.319	1.516	40	0		CDABRM
O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CF	ZINC000002046623	355959249	/nfs/dbraw/zinc/95/92/49/355959249.db2.gz	FBGZGXXZNGCUMC-LLVKDONJSA-N	-1	0	264.256	1.249	40	0		CDABRM
Cc1nc([N-]S(C)(=O)=O)nc2c1C(=O)CC(C)(C)C2	ZINC000013636353	356350953	/nfs/dbraw/zinc/35/09/53/356350953.db2.gz	SOYMDRPNRXWKJZ-UHFFFAOYSA-N	-1	0	283.353	1.312	40	0		CDABRM
CCOC(=O)C=Cc1nc(C(=O)OCC)c(C)c(=O)[nH]1	ZINC000017995301	356464396	/nfs/dbraw/zinc/46/43/96/356464396.db2.gz	KQKIPALKDTYKDB-VOTSOKGWSA-N	-1	0	280.280	1.244	40	0		CDABRM
O=C([O-])COC[C@H]1CCCN1C(=O)OCc1ccccc1	ZINC000028110898	356830661	/nfs/dbraw/zinc/83/06/61/356830661.db2.gz	NMKWJDZNWOYIIT-CYBMUJFWSA-N	-1	0	293.319	1.889	40	0		CDABRM
Cc1cccc(OCc2ncc(C(=O)[O-])c(=O)[nH]2)c1	ZINC000058038075	357374612	/nfs/dbraw/zinc/37/46/12/357374612.db2.gz	KNGHKLJXIMVKNH-UHFFFAOYSA-N	-1	0	260.249	1.356	40	0		CDABRM
Cc1ccc(C)c([C@H]2N[C@H](C(=O)[O-])Cc3[nH]cnc32)c1	ZINC000096300027	358731953	/nfs/dbraw/zinc/73/19/53/358731953.db2.gz	GIMWETWRDANASG-QWHCGFSZSA-N	-1	0	271.320	1.715	40	0		CDABRM
CCCC1C(=O)N=C(SCC(=O)NC(C)(C)C)N=C1[O-]	ZINC000013453654	366468574	/nfs/dbraw/zinc/46/85/74/366468574.db2.gz	LSXHIJILQLIYMI-UHFFFAOYSA-N	-1	0	299.396	1.435	40	0		CDABRM
CCc1cccc(C)c1NC(=O)C(O)=CC(=O)CCCO	ZINC000104273614	358954124	/nfs/dbraw/zinc/95/41/24/358954124.db2.gz	FQOWNQQRXGTGIA-UHFFFAOYSA-N	-1	0	291.347	1.797	40	0		CDABRM
CS(=O)(=O)[C@H]1[C@@H](C(=O)[O-])[C@@H]1c1ccc(Cl)cc1	ZINC000218354716	359051526	/nfs/dbraw/zinc/05/15/26/359051526.db2.gz	NPOQREJGMUQCHA-LPEHRKFASA-N	-1	0	274.725	1.551	40	0		CDABRM
CCS(=O)(=O)[C@H]1[C@@H](c2ccc(Cl)cc2)[C@H]1C(=O)[O-]	ZINC000218375662	366722106	/nfs/dbraw/zinc/72/21/06/366722106.db2.gz	KHOFEQXEGIVQQE-AXFHLTTASA-N	-1	0	288.752	1.941	40	0		CDABRM
COc1cc([C@@H]2NC[C@@H](C(=O)[O-])S2)cc(OC)c1OC	ZINC000408977279	363774840	/nfs/dbraw/zinc/77/48/40/363774840.db2.gz	HZBSKWWUKIUVQS-CMPLNLGQSA-N	-1	0	299.348	1.501	40	0		CDABRM
O=c1cc(-c2ccco2)nc2[n-]c(C(F)(F)F)nn21	ZINC000101418933	364347052	/nfs/dbraw/zinc/34/70/52/364347052.db2.gz	CPYAOEWEKJJSCE-UHFFFAOYSA-N	-1	0	270.170	1.696	40	0		CDABRM
COCCNC(=S)Nc1cccc(C(=O)[O-])c1	ZINC000002597392	364589867	/nfs/dbraw/zinc/58/98/67/364589867.db2.gz	UXWNAJXJUGPLPR-UHFFFAOYSA-N	-1	0	254.311	1.318	40	0		CDABRM
Cc1nc(NC(=O)[C@@H]2[C@@H](C(=O)[O-])[C@H]3C=C[C@@H]2O3)sc1C	ZINC000226545808	189776589	/nfs/dbraw/zinc/77/65/89/189776589.db2.gz	JTQRSRCJNVBAHX-JXUBOQSCSA-N	-1	0	294.332	1.353	40	0		CDABRM
CCOc1ccc(-n2cccc(C(=O)[O-])c2=O)cc1	ZINC000049847498	370275643	/nfs/dbraw/zinc/27/56/43/370275643.db2.gz	GKNBOKNSDPVJNC-UHFFFAOYSA-N	-1	0	259.261	1.934	40	0		CDABRM
COc1ccc(OC)c(CN2C(=O)CC[C@H]2C(=O)[O-])c1	ZINC000011727245	374462099	/nfs/dbraw/zinc/46/20/99/374462099.db2.gz	IABWRLOCUWCRCK-NSHDSACASA-N	-1	0	279.292	1.279	40	0		CDABRM
O=C([O-])C[C@H](CC(=O)N1CCOCC1)c1cccs1	ZINC000057591882	375537333	/nfs/dbraw/zinc/53/73/33/375537333.db2.gz	QAMNWKGNDKSDOH-JTQLQIEISA-N	-1	0	283.349	1.555	40	0		CDABRM
O=C([O-])c1ccccc1-n1cnc(CN2CCOCC2)c1	ZINC000257226690	190015423	/nfs/dbraw/zinc/01/54/23/190015423.db2.gz	FLRSYLZMCRJGNW-UHFFFAOYSA-N	-1	0	287.319	1.403	40	0		CDABRM
Cc1cc(C)nc([C@@H]2CCN(C(=O)CCC(=O)[O-])C2)n1	ZINC000257308608	190031252	/nfs/dbraw/zinc/03/12/52/190031252.db2.gz	TXIXQEIWBKCPMR-LLVKDONJSA-N	-1	0	277.324	1.274	40	0		CDABRM
CC(=O)N1CCC(c2ccnc([N-]c3ncccn3)n2)CC1	ZINC000257310678	190032059	/nfs/dbraw/zinc/03/20/59/190032059.db2.gz	UGCGFPFLJBOKOC-UHFFFAOYSA-N	-1	0	298.350	1.736	40	0		CDABRM
Cc1ccc(C(=O)NCC(=O)[O-])cc1Br	ZINC000002592901	169814672	/nfs/dbraw/zinc/81/46/72/169814672.db2.gz	JEZWCPTYDAVTKR-UHFFFAOYSA-N	-1	0	272.098	1.572	40	0		CDABRM
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)C(F)F	ZINC000218301320	377207940	/nfs/dbraw/zinc/20/79/40/377207940.db2.gz	KODFNJTUJQYIHO-UHFFFAOYSA-N	-1	0	250.222	1.690	40	0		CDABRM
COc1ccc(CCC(=O)[O-])cc1S(=O)(=O)C(F)F	ZINC000218301668	377285456	/nfs/dbraw/zinc/28/54/56/377285456.db2.gz	KJXJDKOWBJWCBQ-UHFFFAOYSA-N	-1	0	294.275	1.709	40	0		CDABRM
CCN(C[C@H](O)CS(=O)(=O)[O-])c1cc(C)cc(C)c1	ZINC000033995593	285082021	/nfs/dbraw/zinc/08/20/21/285082021.db2.gz	CDGBQMHYFARRCC-ZDUSSCGKSA-N	-1	0	287.381	1.378	40	0		CDABRM
C[C@@H](c1ccccc1F)n1nccc(C(=O)[O-])c1=O	ZINC000095097648	184943278	/nfs/dbraw/zinc/94/32/78/184943278.db2.gz	QCWQENAKKLBTIH-QMMMGPOBSA-N	-1	0	262.240	1.690	40	0		CDABRM
Cc1ccc(-c2cc(=NC(=O)[C@H](C)C(=O)[O-])[nH][nH]2)s1	ZINC000566222645	390530652	/nfs/dbraw/zinc/53/06/52/390530652.db2.gz	FJUWCEWQJNTQOF-ZETCQYMHSA-N	-1	0	279.321	1.528	40	0		CDABRM
O=C([O-])c1cccc(CN2CCN(C3CC3)C2=O)c1	ZINC000096517277	390532110	/nfs/dbraw/zinc/53/21/10/390532110.db2.gz	UYQVGFBFYWXSMK-UHFFFAOYSA-N	-1	0	260.293	1.785	40	0		CDABRM
COC[C@@]1(C(=O)[O-])[C@H](S(C)(=O)=O)[C@H]1c1ccc(C)cc1	ZINC000242539040	391282151	/nfs/dbraw/zinc/28/21/51/391282151.db2.gz	JMQCFGHSOQXXMD-BZPMIXESSA-N	-1	0	298.360	1.223	40	0		CDABRM
CCOC(=O)c1c([O-])c(Br)c(C)[nH]c1=O	ZINC000062714209	391561441	/nfs/dbraw/zinc/56/14/41/391561441.db2.gz	DRGLDPBBZCKROK-UHFFFAOYSA-N	-1	0	276.086	1.328	40	0		CDABRM
CCS(=O)(=O)[C@@H]1[C@@H](c2ccc(OC)cc2)[C@H]1C(=O)[O-]	ZINC000218087985	130765874	/nfs/dbraw/zinc/76/58/74/130765874.db2.gz	PBCDZGYGBDQEOZ-QJPTWQEYSA-N	-1	0	284.333	1.297	40	0		CDABRM
Cc1cc(NC(=S)NC(=O)C(C)C)cc(C(=O)[O-])c1O	ZINC000226354530	130825494	/nfs/dbraw/zinc/82/54/94/130825494.db2.gz	ZBSCERURUPZJCU-UHFFFAOYSA-N	-1	0	296.348	1.868	40	0		CDABRM
Cc1nn(C)c(C)c1C(=O)N[C@](C)(CC(=O)[O-])C(C)C	ZINC000262949311	131275623	/nfs/dbraw/zinc/27/56/23/131275623.db2.gz	LFCRNOIZSYIBAE-CQSZACIVSA-N	-1	0	281.356	1.656	40	0		CDABRM
O=C([O-])[C@@H]1[C@@H](C(=O)NCc2cccs2)[C@H]2CC[C@@H]1O2	ZINC000004180016	169941524	/nfs/dbraw/zinc/94/15/24/169941524.db2.gz	FZABPMAKCGNVOU-RCWTZXSCSA-N	-1	0	281.333	1.243	40	0		CDABRM
Cc1csc(NC(=O)[C@@H]2[C@@H](C(=O)[O-])[C@H]3C=C[C@@H]2O3)n1	ZINC000005982110	170165432	/nfs/dbraw/zinc/16/54/32/170165432.db2.gz	WJRPHTSFHUPAIQ-KZVJFYERSA-N	-1	0	280.305	1.044	40	0		CDABRM
CCC[C@@H](NC(=O)c1cnc2ccccc2n1)C(=O)[O-]	ZINC000006779238	170242807	/nfs/dbraw/zinc/24/28/07/170242807.db2.gz	GKPRLPKETMIBDP-LLVKDONJSA-N	-1	0	273.292	1.613	40	0		CDABRM
CC1(C)[C@H](C(=O)NCCCO)CC[C@]1(C)C(=O)[O-]	ZINC000006829030	170247417	/nfs/dbraw/zinc/24/74/17/170247417.db2.gz	RSYGNBOPCPSFKR-TVQRCGJNSA-N	-1	0	257.330	1.012	40	0		CDABRM
O=C([O-])[C@H](c1ccc(F)c(F)c1)N1CCOCC1	ZINC000008699041	170346376	/nfs/dbraw/zinc/34/63/76/170346376.db2.gz	GUAFNTWCOUOSPR-NSHDSACASA-N	-1	0	257.236	1.423	40	0		CDABRM
O=C([O-])CCNC(=O)/C=C/c1ccccc1Cl	ZINC000020200136	171064159	/nfs/dbraw/zinc/06/41/59/171064159.db2.gz	COLHXXUYWJJKPM-AATRIKPKSA-N	-1	0	253.685	1.944	40	0		CDABRM
CC(=O)c1ccc(OCc2n[nH]c(CC(=O)[O-])n2)cc1	ZINC000040175857	174201407	/nfs/dbraw/zinc/20/14/07/174201407.db2.gz	LSLISWFUMKHMFE-UHFFFAOYSA-N	-1	0	275.264	1.213	40	0		CDABRM
COc1cc(OC)nc(S[C@H](C(=O)[O-])C(C)C)n1	ZINC000000337248	295015253	/nfs/dbraw/zinc/01/52/53/295015253.db2.gz	ODJGAFMWKUVTML-VIFPVBQESA-N	-1	0	272.326	1.695	40	0		CDABRM
O=C([O-])NC[C@H](O)c1ccccc1Br	ZINC000521825117	333210672	/nfs/dbraw/zinc/21/06/72/333210672.db2.gz	KZKBNXIZTYJYKH-QMMMGPOBSA-N	-1	0	260.087	1.750	40	0		CDABRM
O=C([O-])[C@@H]1CCCN1C(=O)[C@@H]1CCc2ccccc2C1	ZINC000145878103	482956163	/nfs/dbraw/zinc/95/61/63/482956163.db2.gz	PBRFDIYGGFBVNU-KGLIPLIRSA-N	-1	0	273.332	1.867	40	0		CDABRM
COC[C@](C)(CC(=O)[O-])NC(=O)c1ccsc1	ZINC000237106122	601298802	/nfs/dbraw/zinc/29/88/02/601298802.db2.gz	UNAGAGVLFBHUSX-NSHDSACASA-N	-1	0	257.311	1.358	40	0		CDABRM
CC(C)(C)OC(=O)N1CC(C(=O)[O-])(C(F)(F)F)C1	ZINC000258250126	1181373400	/nfs/dbraw/zinc/37/34/00/1181373400.db2.gz	DSCMDSAJNUBTIS-UHFFFAOYSA-N	-1	0	269.219	1.870	40	0		CDABRM
O=C(c1ccccc1)c1ccc(-n2nn[n-]c2=O)cc1	ZINC000584884015	778734055	/nfs/dbraw/zinc/73/40/55/778734055.db2.gz	ZZHLFGZGRMABGB-UHFFFAOYSA-N	-1	0	266.260	1.599	40	0		CDABRM
CC(C)(C)OC(=O)N1CC(C(=O)[O-])(C(F)F)C1	ZINC000258138427	1166479905	/nfs/dbraw/zinc/47/99/05/1166479905.db2.gz	YYYNAZUUVRSZJZ-UHFFFAOYSA-N	-1	0	251.229	1.573	40	0		CDABRM
O=C([O-])c1ccc(NC=C2SC(=O)NC2=O)cc1	ZINC000584906202	342111835	/nfs/dbraw/zinc/11/18/35/342111835.db2.gz	BBQZNGLEWIYIMY-YVMONPNESA-N	-1	0	264.262	1.621	40	0		CDABRM
CN(Cc1ccccc1)c1cc(CC(=O)[O-])ncn1	ZINC000084607930	178902799	/nfs/dbraw/zinc/90/27/99/178902799.db2.gz	XDZQZHQLCYZHGM-UHFFFAOYSA-N	-1	0	257.293	1.740	40	0		CDABRM
CCOC(=O)Nc1nn(-c2ccc3ccccc3n2)c(=O)[n-]1	ZINC000001573263	355939912	/nfs/dbraw/zinc/93/99/12/355939912.db2.gz	BJDBLXKSFKVUTQ-UHFFFAOYSA-N	-1	0	299.290	1.677	40	0		CDABRM
CCc1ccccc1N1C[C@]23C=C[C@H](O2)[C@H](C(=O)[O-])[C@@H]3C1=O	ZINC000000541034	355915907	/nfs/dbraw/zinc/91/59/07/355915907.db2.gz	XQUKRSXQGQAECI-ZJOBFFGXSA-N	-1	0	299.326	1.620	40	0		CDABRM
CCOC[C@@H](CC(=O)[O-])NC(=O)OCc1ccccc1	ZINC000002511454	355971731	/nfs/dbraw/zinc/97/17/31/355971731.db2.gz	VIQBBUOFAZJSOY-GFCCVEGCSA-N	-1	0	281.308	1.793	40	0		CDABRM
CC(C)(C)OC(=O)N[C@H](C(=O)[O-])[C@@H](O)c1ccccc1F	ZINC000004299309	356026410	/nfs/dbraw/zinc/02/64/10/356026410.db2.gz	MPJWTNGRJODCGK-QWRGUYRKSA-N	-1	0	299.298	1.837	40	0		CDABRM
CO[N-]C(=O)C(=O)Nc1ccc(Cl)cc1Cl	ZINC000134764762	356393656	/nfs/dbraw/zinc/39/36/56/356393656.db2.gz	PAORDFBMYVFVNM-UHFFFAOYSA-N	-1	0	263.080	1.610	40	0		CDABRM
CCOC[C@H](CC(=O)[O-])NC(=O)OCc1ccccc1	ZINC000026895852	356701087	/nfs/dbraw/zinc/70/10/87/356701087.db2.gz	VIQBBUOFAZJSOY-LBPRGKRZSA-N	-1	0	281.308	1.793	40	0		CDABRM
CCOC(=O)C(=C(C)[O-])C(=O)c1ccccc1F	ZINC000100344290	358828066	/nfs/dbraw/zinc/82/80/66/358828066.db2.gz	VVIOQRLTYLWVBO-LLVKDONJSA-N	-1	0	252.241	1.777	40	0		CDABRM
CCc1ccc(S(=O)(=O)[N-]c2nnc(N)s2)cc1	ZINC000000289515	361657930	/nfs/dbraw/zinc/65/79/30/361657930.db2.gz	PLYCEJBHUPEDQX-UHFFFAOYSA-N	-1	0	284.366	1.484	40	0		CDABRM
O=C([O-])[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)NCc1ccc(F)cc1	ZINC000102419717	364571780	/nfs/dbraw/zinc/57/17/80/364571780.db2.gz	FZOLVYIGAPVLEQ-XCCSTKFXSA-N	-1	0	289.306	1.965	40	0		CDABRM
O=C([O-])[C@H]1[C@@H](C(=O)Nc2cccc(F)c2)[C@H]2C=C[C@@H]1O2	ZINC000169616538	365042107	/nfs/dbraw/zinc/04/21/07/365042107.db2.gz	HQZWLGTTYNKBIB-NOOOWODRSA-N	-1	0	277.251	1.418	40	0		CDABRM
CCNC(=S)Nc1cc(C)c(O)c(C(=O)[O-])c1	ZINC000216928324	189707508	/nfs/dbraw/zinc/70/75/08/189707508.db2.gz	LWNKCIYTBJYFFS-UHFFFAOYSA-N	-1	0	254.311	1.705	40	0		CDABRM
O=C([O-])[C@@H]1[C@H](Oc2ccccc2)C(=O)N1c1ccccc1	ZINC000218275205	365255706	/nfs/dbraw/zinc/25/57/06/365255706.db2.gz	DZYWAMXNFIUTAA-KBPBESRZSA-N	-1	0	283.283	1.934	40	0		CDABRM
O=C([O-])[C@H]1CC[C@@H](C(=O)N2CCCCC2)N1C1CC1	ZINC000630676281	369682777	/nfs/dbraw/zinc/68/27/77/369682777.db2.gz	WBANOFBRHNQDRM-NWDGAFQWSA-N	-1	0	266.341	1.079	40	0		CDABRM
CC1CCN(C(=O)CN2CCC[C@]2(C)C(=O)[O-])CC1	ZINC000079488596	369851602	/nfs/dbraw/zinc/85/16/02/369851602.db2.gz	LCPFZBIGAKGZPD-CQSZACIVSA-N	-1	0	268.357	1.184	40	0		CDABRM
CCN(CC)c1cc(N2CCC[C@@H](C(=O)[O-])C2)ncn1	ZINC000079440019	374405854	/nfs/dbraw/zinc/40/58/54/374405854.db2.gz	GFBBADRWGIVTER-LLVKDONJSA-N	-1	0	278.356	1.624	40	0		CDABRM
Cc1cc(C(=O)N(C[C@H](C)C(=O)[O-])C2CC2)no1	ZINC000225484799	374496005	/nfs/dbraw/zinc/49/60/05/374496005.db2.gz	YFMAPSCNQATKLC-ZETCQYMHSA-N	-1	0	252.270	1.308	40	0		CDABRM
COc1ccc2[n-]nc(Br)c(=O)c2c1	ZINC000225741272	375196499	/nfs/dbraw/zinc/19/64/99/375196499.db2.gz	RNSRIOIXSHZSGQ-UHFFFAOYSA-N	-1	0	255.071	1.694	40	0		CDABRM
O=C([O-])c1cnn(-c2cccc(C(F)(F)F)c2)n1	ZINC000051174633	304280289	/nfs/dbraw/zinc/28/02/89/304280289.db2.gz	VGBQMRATHFULKA-UHFFFAOYSA-N	-1	0	257.171	1.984	40	0		CDABRM
CCCNc1c(Br)cncc1S(=O)(=O)[O-]	ZINC000072210937	390618577	/nfs/dbraw/zinc/61/85/77/390618577.db2.gz	QGNCFBGBHOMCOG-UHFFFAOYSA-N	-1	0	295.158	1.913	40	0		CDABRM
O=C([O-])c1nnsc1COc1ccc(F)cc1	ZINC000072221239	390622990	/nfs/dbraw/zinc/62/29/90/390622990.db2.gz	DMXXRLGNXLKXBM-UHFFFAOYSA-N	-1	0	254.242	1.954	40	0		CDABRM
O=C([O-])CC[NH2+]Cc1cc(Cl)ccc1OCC(=O)[O-]	ZINC000062717149	391566687	/nfs/dbraw/zinc/56/66/87/391566687.db2.gz	JKWJUMSDSCXHKO-UHFFFAOYSA-N	-1	0	287.699	1.368	40	0		CDABRM
Cn1nc2cc(C(=O)[O-])cc(Br)c2n1	ZINC000218258259	130767700	/nfs/dbraw/zinc/76/77/00/130767700.db2.gz	JWUNOQINSNDWPG-UHFFFAOYSA-N	-1	0	256.059	1.429	40	0		CDABRM
O=C([O-])[C@H]1CCCCN1C(=O)c1ccc2c(c1)CCOC2	ZINC000656473402	413314266	/nfs/dbraw/zinc/31/42/66/413314266.db2.gz	MWFUGYBTTZWDMN-CQSZACIVSA-N	-1	0	289.331	1.839	40	0		CDABRM
CCCn1c(C)ccc(-c2noc(CCC(=O)[O-])n2)c1=O	ZINC000022121582	171353735	/nfs/dbraw/zinc/35/37/35/171353735.db2.gz	IGXQTIRXSQAGIW-UHFFFAOYSA-N	-1	0	291.307	1.634	40	0		CDABRM
COc1cccc(Cn2cccc(C(=O)[O-])c2=O)c1	ZINC000039956185	174179050	/nfs/dbraw/zinc/17/90/50/174179050.db2.gz	NTHLDJHRZDNBPK-UHFFFAOYSA-N	-1	0	259.261	1.603	40	0		CDABRM
COCc1c(C(=O)[O-])nnn1Cc1ccccc1F	ZINC000062279752	175666946	/nfs/dbraw/zinc/66/69/46/175666946.db2.gz	FGGGCHCVFCGTLE-UHFFFAOYSA-N	-1	0	265.244	1.310	40	0		CDABRM
COc1ccccc1-c1cc(C(=O)[O-])cc(=O)n1C	ZINC000071585069	176210488	/nfs/dbraw/zinc/21/04/88/176210488.db2.gz	GNDFCIGPEOVVLN-UHFFFAOYSA-N	-1	0	259.261	1.759	40	0		CDABRM
CCn1cc([N-]S(=O)(=O)c2c(C)nn(CC)c2C)cn1	ZINC000072239075	176347362	/nfs/dbraw/zinc/34/73/62/176347362.db2.gz	MVLLTTBBYWYLAN-UHFFFAOYSA-N	-1	0	297.384	1.537	40	0		CDABRM
Nc1cc(=O)nc2[n-]c(SCc3ccccc3)nn21	ZINC000072415090	176399710	/nfs/dbraw/zinc/39/97/10/176399710.db2.gz	LRWUZAPIRXIVRY-UHFFFAOYSA-N	-1	0	273.321	1.704	40	0		CDABRM
CC(C)(C)OC(=O)NCC(=O)[N-]OCc1ccccc1	ZINC000015042900	278426626	/nfs/dbraw/zinc/42/66/26/278426626.db2.gz	PPSQDHWNGIKSRV-UHFFFAOYSA-N	-1	0	280.324	1.759	40	0		CDABRM
Cn1c2cc(Br)c(C(=O)[O-])cc2n(C)c1=O	ZINC000051928514	302900453	/nfs/dbraw/zinc/90/04/53/302900453.db2.gz	YNAQNTHJEWGXBM-UHFFFAOYSA-N	-1	0	285.097	1.338	40	0		CDABRM
Cc1ccc(N2C(=O)N[C@@H](CC(=O)[O-])C2=O)cc1Cl	ZINC000166985722	333180422	/nfs/dbraw/zinc/18/04/22/333180422.db2.gz	ZRXCZRREEBWBBK-VIFPVBQESA-N	-1	0	282.683	1.548	40	0		CDABRM
CC(C)(C)OC(=O)N1Cc2cccn2C[C@@H](C(=O)[O-])C1	ZINC000379476698	333189048	/nfs/dbraw/zinc/18/90/48/333189048.db2.gz	VPSLWYNQRHKRMF-SNVBAGLBSA-N	-1	0	280.324	1.940	40	0		CDABRM
CC(C)(C)OC(=O)N1CCC(O)(C(C)(C)C(=O)[O-])CC1	ZINC000066055129	333208052	/nfs/dbraw/zinc/20/80/52/333208052.db2.gz	NUJXHFXAZXQBFA-UHFFFAOYSA-N	-1	0	287.356	1.859	40	0		CDABRM
Cn1c(=O)c(C(=O)NCc2ccco2)c([O-])c2ccccc21	ZINC000006974241	1164861036	/nfs/dbraw/zinc/86/10/36/1164861036.db2.gz	PSUCPJSVYPESLA-UHFFFAOYSA-N	-1	0	298.298	1.767	40	0		CDABRM
CCn1nc(C)cc1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-]	ZINC000032610703	1165725418	/nfs/dbraw/zinc/72/54/18/1165725418.db2.gz	YCBJBBDMSBBZJZ-GHMZBOCLSA-N	-1	0	277.324	1.817	40	0		CDABRM
CCN1C(=O)[C@@H](N2CCCCC2)S/C1=C\C(=O)[O-]	ZINC000001872336	341986351	/nfs/dbraw/zinc/98/63/51/341986351.db2.gz	SJUZTKLDERKMSR-LAUAKBEESA-N	-1	0	270.354	1.320	40	0		CDABRM
CC(C)(C)OC(=O)N1C[C@H](CC(=O)[O-])C(F)(F)C1	ZINC000095616774	185015906	/nfs/dbraw/zinc/01/59/06/185015906.db2.gz	OIHFYVFPPURWTK-ZETCQYMHSA-N	-1	0	265.256	1.963	40	0		CDABRM
Cc1cc2c(c(=O)n1CC(=O)[O-])C=C[C@@H](C(C)C)O2	ZINC000257235500	362578952	/nfs/dbraw/zinc/57/89/52/362578952.db2.gz	GYDCJZWXOINDNO-NSHDSACASA-N	-1	0	263.293	1.672	40	0		CDABRM
O=C([O-])[C@@H](CNC(=O)C1CCOCC1)CC1CC1	ZINC000405394835	345439991	/nfs/dbraw/zinc/43/99/91/345439991.db2.gz	HYUSRJRNELUTSX-LLVKDONJSA-N	-1	0	255.314	1.030	40	0		CDABRM
Cc1nnc([C@@H]2CCN(C(=O)c3ccc(F)cc3[O-])C2)[nH]1	ZINC000334014193	363356005	/nfs/dbraw/zinc/35/60/05/363356005.db2.gz	XSXFLJDMUJHZEC-SECBINFHSA-N	-1	0	290.298	1.588	40	0		CDABRM
CCO[C@H]1C[C@@H](NC(=O)c2ccc(F)cc2[O-])C1	ZINC000332476538	356006264	/nfs/dbraw/zinc/00/62/64/356006264.db2.gz	TZTQPVMRCKGJFN-AOOOYVTPSA-N	-1	0	253.273	1.829	40	0		CDABRM
NNc1cc(Cl)c(S(=O)(=O)[O-])cc1Cl	ZINC000001693338	355947548	/nfs/dbraw/zinc/94/75/48/355947548.db2.gz	TVSCIUWLNZAPPU-UHFFFAOYSA-N	-1	0	257.098	1.526	40	0		CDABRM
O=C([O-])[C@@H](Cc1ccccc1)NC(=O)c1ccncc1	ZINC000002046570	355958869	/nfs/dbraw/zinc/95/88/69/355958869.db2.gz	JEVHNIYOOGNRAJ-CYBMUJFWSA-N	-1	0	270.288	1.507	40	0		CDABRM
CC(C)[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)[O-]	ZINC000006256789	356071035	/nfs/dbraw/zinc/07/10/35/356071035.db2.gz	PVFBCIXROHANCK-LLVKDONJSA-N	-1	0	271.338	1.215	40	0		CDABRM
COCCCNC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000002403062	356075084	/nfs/dbraw/zinc/07/50/84/356075084.db2.gz	JTLMKULITUXTTN-LBPRGKRZSA-N	-1	0	280.324	1.018	40	0		CDABRM
CC(C)c1cc(CS(=O)(=O)CCC(=O)[O-])on1	ZINC000012398792	356297686	/nfs/dbraw/zinc/29/76/86/356297686.db2.gz	ZTNDFUHKVCIEQI-UHFFFAOYSA-N	-1	0	261.299	1.188	40	0		CDABRM
CCCCNc1ccc(S(=O)(=O)NC)cc1C(=O)[O-]	ZINC000013276945	356341626	/nfs/dbraw/zinc/34/16/26/356341626.db2.gz	MWQAXXZFPYLYLF-UHFFFAOYSA-N	-1	0	286.353	1.505	40	0		CDABRM
C[C@@H]1c2nc(C(=O)[O-])cn2CCN1C(=O)OC(C)(C)C	ZINC000306131344	357253530	/nfs/dbraw/zinc/25/35/30/357253530.db2.gz	KCEVXHWBGUZWKF-MRVPVSSYSA-N	-1	0	281.312	1.893	40	0		CDABRM
O=C([O-])Cc1cc(=O)[nH]c(-c2ccc(Cl)cc2)n1	ZINC000058037016	357374556	/nfs/dbraw/zinc/37/45/56/357374556.db2.gz	MRWWGCDLRAZSCU-UHFFFAOYSA-N	-1	0	264.668	1.717	40	0		CDABRM
CC(=O)c1ccc(CN2C[C@H](C(=O)[O-])CC2=O)cc1	ZINC000080343749	358094558	/nfs/dbraw/zinc/09/45/58/358094558.db2.gz	FMVUADSKVIIQNU-GFCCVEGCSA-N	-1	0	261.277	1.322	40	0		CDABRM
CCOc1ccc(-c2ncc(CCC(=O)[O-])c(=O)[nH]2)cc1	ZINC000223446907	359426922	/nfs/dbraw/zinc/42/69/22/359426922.db2.gz	HNZLBRMBJHYHPY-UHFFFAOYSA-N	-1	0	288.303	1.853	40	0		CDABRM
O=C([O-])C[C@H]1CSc2nc(C3CCC3)cc(=O)n21	ZINC000085397272	304087285	/nfs/dbraw/zinc/08/72/85/304087285.db2.gz	SOMIPBUZWAWBQO-QMMMGPOBSA-N	-1	0	266.322	1.632	40	0		CDABRM
CC(C)COc1ccc(/C=C2/NC(=O)[N-]C2=O)cc1	ZINC000408918001	363688207	/nfs/dbraw/zinc/68/82/07/363688207.db2.gz	DXJOUEZIQDOSFY-KPKJPENVSA-N	-1	0	260.293	1.902	40	0		CDABRM
O=C([O-])[C@@H]1Cc2[nH]cnc2[C@H](c2ccccc2F)N1	ZINC000005819142	304151182	/nfs/dbraw/zinc/15/11/82/304151182.db2.gz	KAYJYJAACIEUHJ-QWRGUYRKSA-N	-1	0	261.256	1.237	40	0		CDABRM
C[C@@H]1C(=O)C[C@@H]2[C@H]3CC[C@H](C(=O)[O-])[C@]21C[C@@]3(C)CO	ZINC000252679727	372285787	/nfs/dbraw/zinc/28/57/87/372285787.db2.gz	QIYQVTNAEPQSBX-UNXDZINTSA-N	-1	0	266.337	1.711	40	0	biogenic,in-vitro	CDABRM
O=C([O-])C[C@@H]1SC(=O)N(CCc2ccccc2)C1=O	ZINC000256055905	190006016	/nfs/dbraw/zinc/00/60/16/190006016.db2.gz	YSMAPUFPVLFWDV-JTQLQIEISA-N	-1	0	279.317	1.768	40	0		CDABRM
COc1ncc([N-]S(=O)(=O)c2ccccc2F)cn1	ZINC000224286087	376486668	/nfs/dbraw/zinc/48/66/68/376486668.db2.gz	BHOAVZFBHKXYLA-UHFFFAOYSA-N	-1	0	283.284	1.425	40	0		CDABRM
O=C([O-])c1ccnc2c(I)c[nH]c21	ZINC000044713036	304273783	/nfs/dbraw/zinc/27/37/83/304273783.db2.gz	JLODAQGNZNIDCG-UHFFFAOYSA-N	-1	0	288.044	1.866	40	0		CDABRM
CCOC(=O)c1n[n-]c(OCC)c1Br	ZINC000096509306	390529881	/nfs/dbraw/zinc/52/98/81/390529881.db2.gz	QXNYRDWQGKNNMT-UHFFFAOYSA-N	-1	0	263.091	1.748	40	0		CDABRM
CO[C@H](C(=O)[O-])[C@@H]1CCCN1C(=O)OC(C)(C)C	ZINC000098181606	391247473	/nfs/dbraw/zinc/24/74/73/391247473.db2.gz	HNPBCAHTHZSMDP-IUCAKERBSA-N	-1	0	259.302	1.486	40	0		CDABRM
O=C([O-])C1=C(c2cccc(Br)c2)COC1=O	ZINC000242498444	393195580	/nfs/dbraw/zinc/19/55/80/393195580.db2.gz	HFGUFHHPAMQAQW-UHFFFAOYSA-N	-1	0	283.077	1.844	40	0		CDABRM
Cc1cccc(NC(=O)[C@H]2[C@H]3C=C[C@H](O3)[C@@H]2C(=O)[O-])c1C	ZINC000005042612	170059904	/nfs/dbraw/zinc/05/99/04/170059904.db2.gz	BJWYYOGYFQTPEZ-RFGFWPKPSA-N	-1	0	287.315	1.896	40	0		CDABRM
O=C([O-])c1c[nH]c(=S)n(Cc2ccccc2)c1=O	ZINC000020156255	171038945	/nfs/dbraw/zinc/03/89/45/171038945.db2.gz	OAVMIOYWLPGDFG-UHFFFAOYSA-N	-1	0	262.290	1.652	40	0		CDABRM
Cc1ccc(-c2nc(C)c(CC(=O)[O-])c(=O)[nH]2)cc1	ZINC000022124144	171354018	/nfs/dbraw/zinc/35/40/18/171354018.db2.gz	TZENNQHEMGJRTO-UHFFFAOYSA-N	-1	0	258.277	1.681	40	0		CDABRM
O=C([O-])[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)Nc1ccccc1	ZINC000035898217	172424174	/nfs/dbraw/zinc/42/41/74/172424174.db2.gz	MFUCMTIVYRQXAH-KXNHARMFSA-N	-1	0	261.277	1.503	40	0		CDABRM
CCC[C@H](C)Nc1ccc(S(N)(=O)=O)cc1C(=O)[O-]	ZINC000037309248	173111809	/nfs/dbraw/zinc/11/18/09/173111809.db2.gz	CNELEPQSULXVLF-QMMMGPOBSA-N	-1	0	286.353	1.633	40	0		CDABRM
Cc1nc(-c2cccs2)[nH]c(=O)c1CC(=O)[O-]	ZINC000040543611	174324022	/nfs/dbraw/zinc/32/40/22/174324022.db2.gz	OAGZIUOCSVTZEE-UHFFFAOYSA-N	-1	0	250.279	1.846	40	0		CDABRM
CC1=C(C(=O)[O-])[C@@H](c2ccc(F)c(F)c2)CC(=O)N1	ZINC000044563698	175207669	/nfs/dbraw/zinc/20/76/69/175207669.db2.gz	NSMRVZQSTBZQAY-MRVPVSSYSA-N	-1	0	267.231	1.927	40	0		CDABRM
COc1ccccc1C(=O)N1CCC=C(C(=O)[O-])C1	ZINC000072226972	176343347	/nfs/dbraw/zinc/34/33/47/176343347.db2.gz	KYWKSQXPSCRJPO-UHFFFAOYSA-N	-1	0	261.277	1.552	40	0		CDABRM
CCc1nccn1CCCNc1nnc(C)c(=O)[n-]1	ZINC000072265490	176352242	/nfs/dbraw/zinc/35/22/42/176352242.db2.gz	VCLHAIHXVBBCOU-UHFFFAOYSA-N	-1	0	262.317	1.147	40	0		CDABRM
CC(=O)N1CCCC[C@H]1c1nc(C)cc(CCC(=O)[O-])n1	ZINC000072363394	176377309	/nfs/dbraw/zinc/37/73/09/176377309.db2.gz	PYOMKQLRHRGMNG-ZDUSSCGKSA-N	-1	0	291.351	1.876	40	0		CDABRM
COc1cc(C)c(C)cc1S(=O)(=O)[N-]c1nnc[nH]1	ZINC000072414436	176398980	/nfs/dbraw/zinc/39/89/80/176398980.db2.gz	OUXGTZVXXOVEHL-UHFFFAOYSA-N	-1	0	282.325	1.231	40	0		CDABRM
COc1cc(OC)nc(S[C@@H](C(=O)[O-])C(C)C)n1	ZINC000000337249	295015402	/nfs/dbraw/zinc/01/54/02/295015402.db2.gz	ODJGAFMWKUVTML-SECBINFHSA-N	-1	0	272.326	1.695	40	0		CDABRM
Cc1cccc([C@H]2N[C@H](C(=O)[O-])Cc3[nH]cnc32)c1	ZINC000005818512	302037077	/nfs/dbraw/zinc/03/70/77/302037077.db2.gz	BTGPLKVLZKCBQX-NWDGAFQWSA-N	-1	0	257.293	1.406	40	0		CDABRM
CC(C)(C)OC(=O)c1ccn(C(C)(C)C(=O)[O-])n1	ZINC000408715730	365727777	/nfs/dbraw/zinc/72/77/77/365727777.db2.gz	CYVRNINKFYNLSI-UHFFFAOYSA-N	-1	0	254.286	1.658	40	0		CDABRM
Nc1nn(Cc2ccc(Cl)cc2)cc1C(=O)[O-]	ZINC000408716373	365727818	/nfs/dbraw/zinc/72/78/18/365727818.db2.gz	MEBQYUROCMLKRX-UHFFFAOYSA-N	-1	0	251.673	1.696	40	0		CDABRM
CN(C)c1ncc([N-]S(=O)(=O)c2ccccc2)cn1	ZINC000032175651	282322773	/nfs/dbraw/zinc/32/27/73/282322773.db2.gz	IGOXRKRZLDRQLM-UHFFFAOYSA-N	-1	0	278.337	1.343	40	0		CDABRM
O=C([O-])c1cnc(N[C@@H](CCO)C2CCCCC2)nc1	ZINC000569696922	362446840	/nfs/dbraw/zinc/44/68/40/362446840.db2.gz	FSEBIKQDTNXTPZ-LBPRGKRZSA-N	-1	0	279.340	1.918	40	0		CDABRM
CCCNc1nn(-c2ccc(F)cc2)nc1C(=O)[O-]	ZINC000256046230	350908018	/nfs/dbraw/zinc/90/80/18/350908018.db2.gz	DPGJXKPHWJMTOV-UHFFFAOYSA-N	-1	0	264.260	1.927	40	0		CDABRM
Cc1nn(C)cc1CCC(=O)N1CCCC[C@H]1C(=O)[O-]	ZINC000136534271	363178720	/nfs/dbraw/zinc/17/87/20/363178720.db2.gz	QSKQVXUBACCBPJ-LBPRGKRZSA-N	-1	0	279.340	1.127	40	0		CDABRM
O=C([O-])CNc1ncc2c(n1)-c1ccccc1OC2	ZINC000001651209	355944199	/nfs/dbraw/zinc/94/41/99/355944199.db2.gz	RMSPKWPKXGJZJG-UHFFFAOYSA-N	-1	0	257.249	1.533	40	0		CDABRM
N[C@@H]1C(=O)[C@@H]2CCCC[C@@H]2C(=O)C1=C([O-])c1ccccc1	ZINC000001683892	355946861	/nfs/dbraw/zinc/94/68/61/355946861.db2.gz	RLMCQGNTVUZGDZ-DGAVXFQQSA-N	-1	0	285.343	1.771	40	0		CDABRM
CC(=O)N[C@H](Cc1cccc2ccccc21)C(=O)[O-]	ZINC000002046417	355959226	/nfs/dbraw/zinc/95/92/26/355959226.db2.gz	RGIWZNSMSXQWLY-CQSZACIVSA-N	-1	0	257.289	1.972	40	0		CDABRM
CC(C)NC(=S)N[C@H](Cc1ccccc1)C(=O)[O-]	ZINC000005633254	356058033	/nfs/dbraw/zinc/05/80/33/356058033.db2.gz	GXHNIWCOJAAEPJ-LLVKDONJSA-N	-1	0	266.366	1.555	40	0		CDABRM
O=C([O-])CN1C(=O)N/C(=C/c2cc(Cl)ccc2O)C1=O	ZINC000408597912	356017179	/nfs/dbraw/zinc/01/71/79/356017179.db2.gz	WKJJCDZWHRFIFY-XBXARRHUSA-N	-1	0	296.666	1.023	40	0		CDABRM
CCn1ccc(CNC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])n1	ZINC000002732503	356103031	/nfs/dbraw/zinc/10/30/31/356103031.db2.gz	UOBISUMVBGGTCD-VXGBXAGGSA-N	-1	0	279.340	1.410	40	0		CDABRM
C[C@H](Cn1cc(Cl)cn1)c1noc(C(=O)[O-])n1	ZINC000012399144	356297852	/nfs/dbraw/zinc/29/78/52/356297852.db2.gz	HGSJHUVACLOXBA-RXMQYKEDSA-N	-1	0	256.649	1.421	40	0		CDABRM
Cc1cc(-c2cc(=O)n(CC(C)(C)O)[n-]2)ccc1F	ZINC000634635178	356610872	/nfs/dbraw/zinc/61/08/72/356610872.db2.gz	YBUSKMCEIDUANO-UHFFFAOYSA-N	-1	0	264.300	1.841	40	0		CDABRM
COc1ccccc1NC=C1SC([O-])=NC1=O	ZINC000036636135	356875693	/nfs/dbraw/zinc/87/56/93/356875693.db2.gz	MACHBBQHPCSUBG-TWGQIWQCSA-N	-1	0	250.279	1.932	40	0		CDABRM
O=C([O-])COC[C@@H]1CCN(C(=O)OCc2ccccc2)C1	ZINC000079390209	356987968	/nfs/dbraw/zinc/98/79/68/356987968.db2.gz	VTEBJTVNWAXFDQ-CYBMUJFWSA-N	-1	0	293.319	1.746	40	0		CDABRM
Nc1n[nH]c(SCc2cccc(C(=O)[O-])c2)n1	ZINC000041063218	357020383	/nfs/dbraw/zinc/02/03/83/357020383.db2.gz	HLOVRXABRPDWAC-UHFFFAOYSA-N	-1	0	250.283	1.377	40	0		CDABRM
Cc1ccc(C)c(C[C@@H](C(=O)[O-])N2CCOCC2)c1	ZINC000057550746	357359741	/nfs/dbraw/zinc/35/97/41/357359741.db2.gz	MOVCMQLVDWNMKL-AWEZNQCLSA-N	-1	0	263.337	1.631	40	0		CDABRM
Cc1ccc(C[C@@H](C(=O)[O-])N2CCOCC2)cc1C	ZINC000057550750	357359830	/nfs/dbraw/zinc/35/98/30/357359830.db2.gz	ZSUFZBWIVSONTP-AWEZNQCLSA-N	-1	0	263.337	1.631	40	0		CDABRM
CC(C)(C)OC(=O)N1C[C@@H](CC(=O)[O-])OCC1(C)C	ZINC000089211659	357489515	/nfs/dbraw/zinc/48/95/15/357489515.db2.gz	PJFDZRPZIHFHQV-SECBINFHSA-N	-1	0	273.329	1.876	40	0		CDABRM
O=C([O-])[C@H]1CCCN1C(=O)/C=C/c1ccc(F)cc1	ZINC000003223676	358518833	/nfs/dbraw/zinc/51/88/33/358518833.db2.gz	ZLKVXXNVPOYBLY-FZKGZDJFSA-N	-1	0	263.268	1.915	40	0		CDABRM
O=C([O-])CCc1cnc(-c2cccs2)[nH]c1=O	ZINC000214532655	358850901	/nfs/dbraw/zinc/85/09/01/358850901.db2.gz	ZDTQZONFZAZPGI-UHFFFAOYSA-N	-1	0	250.279	1.516	40	0		CDABRM
Cc1cc(C(=O)[O-])c(=O)n(Cc2ccccc2Cl)n1	ZINC000225961436	359636062	/nfs/dbraw/zinc/63/60/62/359636062.db2.gz	DCAQQUUHBHIVSX-UHFFFAOYSA-N	-1	0	278.695	1.952	40	0		CDABRM
Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CC2(F)F)c(F)c1	ZINC000408484756	361310749	/nfs/dbraw/zinc/31/07/49/361310749.db2.gz	NCDFEVRXCPSPOI-SSDOTTSWSA-N	-1	0	293.266	1.594	40	0		CDABRM
Cc1cc(C)cc(NC(=O)[C@@H]2[C@@H](C(=O)[O-])[C@H]3C=C[C@@H]2O3)c1	ZINC000169363737	365037771	/nfs/dbraw/zinc/03/77/71/365037771.db2.gz	HZGCKDDXNQCAME-CRWXNKLISA-N	-1	0	287.315	1.896	40	0		CDABRM
O=C([O-])COc1ccc(-c2nn3cnnc3s2)cc1	ZINC000226298203	189771989	/nfs/dbraw/zinc/77/19/89/189771989.db2.gz	VQWZSUWTXDAWSN-UHFFFAOYSA-N	-1	0	276.277	1.316	40	0		CDABRM
O=C([O-])[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)Nc1ccccn1	ZINC000003096434	304155785	/nfs/dbraw/zinc/15/57/85/304155785.db2.gz	CDNKPIRXQQWJCC-BSJXLVFVSA-N	-1	0	258.277	1.543	40	0		CDABRM
COc1ccc2c(c1)C[C@@H](CCC(=O)[O-])C(=O)N2C	ZINC000064874343	374240416	/nfs/dbraw/zinc/24/04/16/374240416.db2.gz	VLIKSWCPFKIQKL-SECBINFHSA-N	-1	0	263.293	1.695	40	0		CDABRM
Cc1c([C@@H](C)NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])cnn1C	ZINC000036611017	390195090	/nfs/dbraw/zinc/19/50/90/390195090.db2.gz	DEWUHCPZILOYTQ-JLLWLGSASA-N	-1	0	291.351	1.573	40	0		CDABRM
CCS(=O)(=O)C(CO)=C([O-])c1cccc(Cl)c1	ZINC000096518792	390535104	/nfs/dbraw/zinc/53/51/04/390535104.db2.gz	LGNZRVDJEODJGI-JTQLQIEISA-N	-1	0	276.741	1.318	40	0		CDABRM
CC(=O)N[C@@H](CC(=O)[O-])c1nc2ccccc2s1	ZINC000072207246	390616043	/nfs/dbraw/zinc/61/60/43/390616043.db2.gz	XEPLQTZMBQOACM-VIFPVBQESA-N	-1	0	264.306	1.948	40	0		CDABRM
CS(=O)(=O)[C@@H]1[C@H](C(=O)[O-])[C@H]1c1ccc(Cl)cc1	ZINC000242575045	391201876	/nfs/dbraw/zinc/20/18/76/391201876.db2.gz	NPOQREJGMUQCHA-BBBLOLIVSA-N	-1	0	274.725	1.551	40	0		CDABRM
CCOc1ccc([C@H]2COC(=O)[C@@H]2C(=O)[O-])cc1	ZINC000242701461	391944954	/nfs/dbraw/zinc/94/49/54/391944954.db2.gz	WETDYNSLVQALKU-MNOVXSKESA-N	-1	0	250.250	1.427	40	0		CDABRM
Cn1c(CNC(=O)CCC(=O)[O-])cc2ccccc21	ZINC000004973444	170047271	/nfs/dbraw/zinc/04/72/71/170047271.db2.gz	BENIHNKNMWUXID-UHFFFAOYSA-N	-1	0	260.293	1.659	40	0		CDABRM
COc1ccccc1[C@@H]1N[C@H](C(=O)[O-])Cc2[nH]cnc21	ZINC000005817975	170143624	/nfs/dbraw/zinc/14/36/24/170143624.db2.gz	BLUBUPXNKWMIDX-JQWIXIFHSA-N	-1	0	273.292	1.107	40	0		CDABRM
CCOC(=O)c1nc2nc(Cl)c(Cl)[n-]c-2n1	ZINC000005837288	170145665	/nfs/dbraw/zinc/14/56/65/170145665.db2.gz	RVVTZGVECQIZTE-UHFFFAOYSA-N	-1	0	261.068	1.788	40	0		CDABRM
O=C([O-])CCSC1=N[C@@H]2C=Cc3nsnc3[C@H]2N1	ZINC000006293053	170189125	/nfs/dbraw/zinc/18/91/25/170189125.db2.gz	NPQJYIZOWBZODL-XRGYYRRGSA-N	-1	0	282.350	1.142	40	0		CDABRM
O=C(Nc1ccc(O)cc1)c1c([O-])[nH]c(=S)[nH]c1=O	ZINC000008655694	170344249	/nfs/dbraw/zinc/34/42/49/170344249.db2.gz	DVMISDHNZIDREG-UHFFFAOYSA-N	-1	0	279.277	1.134	40	0		CDABRM
COc1ccc(-c2ncc(C(=O)[O-])cn2)cc1OC	ZINC000008731000	170351240	/nfs/dbraw/zinc/35/12/40/170351240.db2.gz	RQMNYUKNVDWDAX-UHFFFAOYSA-N	-1	0	260.249	1.859	40	0		CDABRM
Cc1ccc(OS(=O)(=O)N2CCCC[C@H]2C(=O)[O-])cc1	ZINC000020458557	171208761	/nfs/dbraw/zinc/20/87/61/171208761.db2.gz	PZJZUKCBWMEJKX-LBPRGKRZSA-N	-1	0	299.348	1.558	40	0		CDABRM
COc1ccc([C@H]2CC(=O)NC(C)=C2C(=O)[O-])c(OC)c1	ZINC000044563686	175207834	/nfs/dbraw/zinc/20/78/34/175207834.db2.gz	CAQWSAICPUXSEW-LLVKDONJSA-N	-1	0	291.303	1.666	40	0		CDABRM
CCOC(=O)C1=NN(c2cccc(C)c2C)[C@H](C(=O)[O-])C1	ZINC000071979233	176307911	/nfs/dbraw/zinc/30/79/11/176307911.db2.gz	LUNNCNZIRFTYBS-ZDUSSCGKSA-N	-1	0	290.319	1.886	40	0		CDABRM
CCn1ccc([N-]S(=O)(=O)c2cccc(COC)c2)n1	ZINC000072240277	176347817	/nfs/dbraw/zinc/34/78/17/176347817.db2.gz	VBTYOLQPDRVRTR-UHFFFAOYSA-N	-1	0	295.364	1.850	40	0		CDABRM
CCCCn1cc(I)c(C(=O)[O-])n1	ZINC000072339319	176371395	/nfs/dbraw/zinc/37/13/95/176371395.db2.gz	NMVDYELPLYIEMF-UHFFFAOYSA-N	-1	0	294.092	1.986	40	0		CDABRM
CC(=O)N1CC(CCCc2cccnc2)(C(=O)[O-])C1	ZINC000072383145	176388249	/nfs/dbraw/zinc/38/82/49/176388249.db2.gz	BHCUQLKNBHWULA-UHFFFAOYSA-N	-1	0	262.309	1.337	40	0		CDABRM
Cc1ccc(OCc2noc(CCC(=O)[O-])n2)cc1	ZINC000078400901	177337529	/nfs/dbraw/zinc/33/75/29/177337529.db2.gz	CNVXTVDWJJLJGE-UHFFFAOYSA-N	-1	0	262.265	1.974	40	0		CDABRM
O=C([O-])CCc1nc([C@H]2COc3ccccc3O2)no1	ZINC000078401022	177337574	/nfs/dbraw/zinc/33/75/74/177337574.db2.gz	KEOOYWWYVZVLPY-SNVBAGLBSA-N	-1	0	276.248	1.599	40	0		CDABRM
Cc1nc(CCc2ccccc2)[nH]c(=O)c1CC(=O)[O-]	ZINC000048772745	260201641	/nfs/dbraw/zinc/20/16/41/260201641.db2.gz	TXFHWIZVRLGZQO-UHFFFAOYSA-N	-1	0	272.304	1.491	40	0		CDABRM
CC(=O)N1CC[C@@H]2[C@@H](C1)CCCCN2C(=O)CCC(=O)[O-]	ZINC000257206263	278052607	/nfs/dbraw/zinc/05/26/07/278052607.db2.gz	BCQIKBQBMPAMFU-CHWSQXEVSA-N	-1	0	296.367	1.101	40	0		CDABRM
COc1ccc([C@@H]2CCC(=O)C[C@@]2(O)C(=O)[O-])cc1	ZINC000001644700	295218438	/nfs/dbraw/zinc/21/84/38/295218438.db2.gz	OHGKIELKQXELNR-JSGCOSHPSA-N	-1	0	264.277	1.348	40	0		CDABRM
COc1cccc([C@@H]2CC(C(=O)[O-])=Nc3nc(C)nn32)c1	ZINC000102278293	295315350	/nfs/dbraw/zinc/31/53/50/295315350.db2.gz	XRCDAYAANRXLDI-LBPRGKRZSA-N	-1	0	286.291	1.579	40	0		CDABRM
Cc1nc2n(n1)[C@H](c1ccccc1)C(C(=O)[O-])=C(C)N2	ZINC000020154005	302684543	/nfs/dbraw/zinc/68/45/43/302684543.db2.gz	KOYQRTQXUOSVQQ-GFCCVEGCSA-N	-1	0	270.292	1.960	40	0		CDABRM
Cc1nn([C@H](C)C(=O)[O-])cc1I	ZINC000006254795	326818122	/nfs/dbraw/zinc/81/81/22/326818122.db2.gz	BMGSDMUXVZAMMN-RXMQYKEDSA-N	-1	0	280.065	1.442	40	0		CDABRM
Cc1cc(C(=O)[O-])c(=O)n(Cc2ccc(F)cc2)n1	ZINC000225791657	333182315	/nfs/dbraw/zinc/18/23/15/333182315.db2.gz	WBHQHLMMOKGLMQ-UHFFFAOYSA-N	-1	0	262.240	1.437	40	0		CDABRM
O=C([O-])CSc1c2c(nc3ncnn31)CCCC2	ZINC000057341130	527621187	/nfs/dbraw/zinc/62/11/87/527621187.db2.gz	QWPLWSZQCVCHFJ-UHFFFAOYSA-N	-1	0	264.310	1.180	40	0		CDABRM
CC[C@@](C)(NC(=O)c1cccc(C[S@](C)=O)c1)C(=O)[O-]	ZINC000262076389	535999787	/nfs/dbraw/zinc/99/97/87/535999787.db2.gz	DOXRRLJFIDNKRK-VLIAUNLRSA-N	-1	0	297.376	1.548	40	0		CDABRM
CCn1cc(C(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)cn1	ZINC000262445053	536024805	/nfs/dbraw/zinc/02/48/05/536024805.db2.gz	OKGLZSOFTGIISK-NSHDSACASA-N	-1	0	277.324	1.230	40	0		CDABRM
Cc1cc(C(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)[nH]n1	ZINC000262490380	600265697	/nfs/dbraw/zinc/26/56/97/600265697.db2.gz	WKAGLDKCHIWOFD-SECBINFHSA-N	-1	0	263.297	1.045	40	0		CDABRM
O=C([O-])c1ccccc1C(=O)OCN1CCCC1=O	ZINC000028629498	1165708605	/nfs/dbraw/zinc/70/86/05/1165708605.db2.gz	DZNMRAZHTRLHEW-UHFFFAOYSA-N	-1	0	263.249	1.122	40	0		CDABRM
CCOc1ccc(-c2cc(C(=O)[O-])c(=O)n(C)n2)cc1	ZINC000082453527	178032097	/nfs/dbraw/zinc/03/20/97/178032097.db2.gz	JGBJVJCRCHSBDQ-UHFFFAOYSA-N	-1	0	274.276	1.544	40	0		CDABRM
Cc1cc(Br)c2nc([O-])cc(=O)n2c1	ZINC000604220391	344868519	/nfs/dbraw/zinc/86/85/19/344868519.db2.gz	MSMTVXPWEYVJPQ-UHFFFAOYSA-N	-1	0	255.071	1.340	40	0		CDABRM
O=C([O-])C[C@@H]1CSc2nc(C3CCC3)cc(=O)n21	ZINC000085397271	179050183	/nfs/dbraw/zinc/05/01/83/179050183.db2.gz	SOMIPBUZWAWBQO-MRVPVSSYSA-N	-1	0	266.322	1.632	40	0		CDABRM
CC(C)(C)OC(=O)[C@H](N)c1ccccc1CC(=O)[O-]	ZINC000090694254	180025934	/nfs/dbraw/zinc/02/59/34/180025934.db2.gz	JPOGZIFVKDDCHN-GFCCVEGCSA-N	-1	0	265.309	1.655	40	0		CDABRM
CC(=O)N(CN1C(=O)CC[C@@H]1C(=O)[O-])c1ccc(C)cc1	ZINC000001650036	355944441	/nfs/dbraw/zinc/94/44/41/355944441.db2.gz	UNJCNMHGYJVWCT-CYBMUJFWSA-N	-1	0	290.319	1.381	40	0		CDABRM
CCOC(=O)c1[nH]c(C(=O)[O-])c(OC(=O)CC)c1C	ZINC000001729618	355950048	/nfs/dbraw/zinc/95/00/48/355950048.db2.gz	UCJSVHSKJDXVGN-UHFFFAOYSA-N	-1	0	269.253	1.513	40	0		CDABRM
CCOC(=O)c1nnsc1[N-]c1ccccn1	ZINC000003844500	356009577	/nfs/dbraw/zinc/00/95/77/356009577.db2.gz	KSJDWXPZNDRADG-UHFFFAOYSA-N	-1	0	250.283	1.853	40	0		CDABRM
CCOC(=O)C=C([O-])c1ccc(N2CCOCC2)s1	ZINC000016682779	356444713	/nfs/dbraw/zinc/44/47/13/356444713.db2.gz	KEQCJIVPJCJBTE-UHFFFAOYSA-N	-1	0	283.349	1.721	40	0		CDABRM
COc1ccc(Cl)cc1S(=O)(=O)NCC[NH+](C)C	ZINC000033829651	356807787	/nfs/dbraw/zinc/80/77/87/356807787.db2.gz	UONQEHJIHUUOJK-UHFFFAOYSA-N	-1	0	292.788	1.189	40	0		CDABRM
CNS(=O)(=O)c1cc(C(=O)[O-])ccc1NC(C)C	ZINC000036720849	356878713	/nfs/dbraw/zinc/87/87/13/356878713.db2.gz	JGQDRVXMIRGGKL-UHFFFAOYSA-N	-1	0	272.326	1.113	40	0		CDABRM
COc1cccc(Cc2ncc(C(=O)[O-])c(=O)[nH]2)c1	ZINC000050103004	357229926	/nfs/dbraw/zinc/22/99/26/357229926.db2.gz	DFVMHGRIEHCBQT-UHFFFAOYSA-N	-1	0	260.249	1.068	40	0		CDABRM
CCS(=O)(=O)N1C[C@H](CC(=O)[O-])Oc2ccccc21	ZINC000096526953	357523919	/nfs/dbraw/zinc/52/39/19/357523919.db2.gz	JFIWXUFZKKUONL-VIFPVBQESA-N	-1	0	285.321	1.078	40	0		CDABRM
CCOc1c(=O)c(=O)c1-c1c(C)[n-]n(-c2ccccc2)c1=O	ZINC000066323641	357562168	/nfs/dbraw/zinc/56/21/68/357562168.db2.gz	JAKBCRDIVDKYRB-UHFFFAOYSA-N	-1	0	298.298	1.136	40	0		CDABRM
CC(C)(C)OC(=O)N1CCn2c(cnc2C(=O)[O-])C1	ZINC000095616782	358697930	/nfs/dbraw/zinc/69/79/30/358697930.db2.gz	MJNSISCJYZRFHT-UHFFFAOYSA-N	-1	0	267.285	1.332	40	0		CDABRM
Cc1c(N2C(=O)c3ccccc3C2=O)c(C(=O)[O-])nn1C	ZINC000616580904	358746488	/nfs/dbraw/zinc/74/64/88/358746488.db2.gz	PXKOULNJXIEHLL-UHFFFAOYSA-N	-1	0	285.259	1.227	40	0		CDABRM
O=C([O-])c1cnc(CCN2C(=O)c3ccccc3C2=O)nc1	ZINC000225324798	359576972	/nfs/dbraw/zinc/57/69/72/359576972.db2.gz	SLDAKKCBHYUENX-UHFFFAOYSA-N	-1	0	297.270	1.014	40	0		CDABRM
CCc1ccc([C@@H]2[C@@H](S(=O)(=O)CC)[C@@H]2C(=O)[O-])cc1	ZINC000218397057	367183627	/nfs/dbraw/zinc/18/36/27/367183627.db2.gz	HJURKDHJIUTJKE-YNEHKIRRSA-N	-1	0	282.361	1.850	40	0		CDABRM
O=C([O-])[C@H]1C2CCC(CC2)[C@H]1C(=O)N[C@@H]1CCSC1=O	ZINC000017024289	304174383	/nfs/dbraw/zinc/17/43/83/304174383.db2.gz	SBGCWHCFBZJHPT-LKGNBDPISA-N	-1	0	297.376	1.272	40	0		CDABRM
Cc1nc(C)c(CNc2ncc(C(=O)[O-])cn2)s1	ZINC000385803773	373293238	/nfs/dbraw/zinc/29/32/38/373293238.db2.gz	KYXPQBGHPKJYJN-UHFFFAOYSA-N	-1	0	264.310	1.860	40	0		CDABRM
O=C([O-])C[C@@H](CC(=O)NCCCO)c1ccccc1	ZINC000226750140	375394262	/nfs/dbraw/zinc/39/42/62/375394262.db2.gz	TVETUURFFCHMQS-GFCCVEGCSA-N	-1	0	265.309	1.134	40	0		CDABRM
CN1C(=O)CCc2cc(SCC(=O)[O-])ccc21	ZINC000218791509	375895840	/nfs/dbraw/zinc/89/58/40/375895840.db2.gz	XYRDEGCFADGQRI-UHFFFAOYSA-N	-1	0	251.307	1.772	40	0		CDABRM
CC(=O)NCc1ncc(-c2ccccc2C(=O)[O-])cn1	ZINC000257335864	190036126	/nfs/dbraw/zinc/03/61/26/190036126.db2.gz	YMGKLEXYMGHQMV-UHFFFAOYSA-N	-1	0	271.276	1.478	40	0		CDABRM
O=C([O-])[C@H]1C[C@@H]1C(=O)Nc1ccc2ncccc2c1	ZINC000054108218	377344705	/nfs/dbraw/zinc/34/47/05/377344705.db2.gz	PETJXGDSENRIBW-QWRGUYRKSA-N	-1	0	256.261	1.894	40	0		CDABRM
O=C([O-])c1ccc2c(c1)N(CC1CC1)S(=O)(=O)CC2	ZINC000096517037	304252772	/nfs/dbraw/zinc/25/27/72/304252772.db2.gz	RICAEJXQIFNIOH-UHFFFAOYSA-N	-1	0	281.333	1.487	40	0		CDABRM
O=C([O-])c1ccccc1CN1CCOC[C@H]1c1cc[nH]n1	ZINC000257265341	304269452	/nfs/dbraw/zinc/26/94/52/304269452.db2.gz	LYHLOHAJZVOUSL-AWEZNQCLSA-N	-1	0	287.319	1.681	40	0		CDABRM
O=C([O-])COc1ccccc1CNCc1ccccn1	ZINC000062716852	256723550	/nfs/dbraw/zinc/72/35/50/256723550.db2.gz	AVKXESOFLIPAMB-UHFFFAOYSA-N	-1	0	272.304	1.835	40	0		CDABRM
Cc1cc(C)n2nc(N3CCC[C@H](C(=O)[O-])C3)nc2n1	ZINC000096517020	390532184	/nfs/dbraw/zinc/53/21/84/390532184.db2.gz	SKZHNMYRBSDLPZ-JTQLQIEISA-N	-1	0	275.312	1.042	40	0		CDABRM
O=C([O-])c1nnn(Cc2ccccc2F)c1-n1cccc1	ZINC000096517299	390532645	/nfs/dbraw/zinc/53/26/45/390532645.db2.gz	SASHTVVHVUPOFK-UHFFFAOYSA-N	-1	0	286.266	1.954	40	0		CDABRM
CCc1cc(-n2ccc(C(=O)[O-])n2)nc(C2CC2)n1	ZINC000096517411	390532659	/nfs/dbraw/zinc/53/26/59/390532659.db2.gz	BZBLOGKFTMLVNT-UHFFFAOYSA-N	-1	0	258.281	1.800	40	0		CDABRM
O=C([O-])c1cc(-n2cnnn2)ccc1Br	ZINC000096529941	390542077	/nfs/dbraw/zinc/54/20/77/390542077.db2.gz	IUBCCVOMJMGZOP-UHFFFAOYSA-N	-1	0	269.058	1.123	40	0		CDABRM
CC(=O)N1CCC(C)(c2cc(C(=O)[O-])nc(C)n2)CC1	ZINC000072344515	390628026	/nfs/dbraw/zinc/62/80/26/390628026.db2.gz	XQZAUTFMEUZBJP-UHFFFAOYSA-N	-1	0	277.324	1.383	40	0		CDABRM
Cc1nn(C)cc1[C@H](C)NC(=O)[C@@H]1CCCC[C@H]1C(=O)[O-]	ZINC000239297055	391914944	/nfs/dbraw/zinc/91/49/44/391914944.db2.gz	DQTGBGFJIIYTMY-MVWJERBFSA-N	-1	0	293.367	1.797	40	0		CDABRM
C[C@H](C(=O)[O-])N(C)S(=O)(=O)Cc1c(F)cccc1F	ZINC000262396170	149057293	/nfs/dbraw/zinc/05/72/93/149057293.db2.gz	JFXCYLWNJSVXMX-SSDOTTSWSA-N	-1	0	293.291	1.200	40	0		CDABRM
COc1ccc(OCC(=O)[O-])c2c1CC[C@@H](C)C2=O	ZINC000005813056	170142551	/nfs/dbraw/zinc/14/25/51/170142551.db2.gz	GMXSBODIWUQWRV-MRVPVSSYSA-N	-1	0	264.277	1.924	40	0		CDABRM
O=C([O-])COc1ccccc1NC(=O)c1ccco1	ZINC000013609059	170568756	/nfs/dbraw/zinc/56/87/56/170568756.db2.gz	RLBAAZGTOKJUIJ-UHFFFAOYSA-N	-1	0	261.233	1.995	40	0		CDABRM
C[C@@H](NC(=O)c1cccc(C(F)(F)F)c1)C(=O)[O-]	ZINC000019276409	170769221	/nfs/dbraw/zinc/76/92/21/170769221.db2.gz	HXSARLSYAKOGBR-ZCFIWIBFSA-N	-1	0	261.199	1.908	40	0		CDABRM
C[C@](C(=O)[O-])(c1ccccc1Cl)N1CCOCC1	ZINC000037358834	173148288	/nfs/dbraw/zinc/14/82/88/173148288.db2.gz	UYMOPLKTZQLDNB-CYBMUJFWSA-N	-1	0	269.728	1.972	40	0		CDABRM
CCOC(=O)C1=NN(c2ccccc2F)[C@@](C)(C(=O)[O-])C1	ZINC000071979543	176307580	/nfs/dbraw/zinc/30/75/80/176307580.db2.gz	LWKLMHVZZDTYHK-CQSZACIVSA-N	-1	0	294.282	1.798	40	0		CDABRM
O=Cc1ccc(Cn2ccnc2)n1Cc1ccc(C(=O)[O-])o1	ZINC000078404649	177338483	/nfs/dbraw/zinc/33/84/83/177338483.db2.gz	ZHSZDDIITZFUOY-UHFFFAOYSA-N	-1	0	299.286	1.885	40	0		CDABRM
CC(=O)NC12C[C@@H]3C[C@@H](CC(CC(=O)[O-])(C3)C1)C2	ZINC000000136249	278086591	/nfs/dbraw/zinc/08/65/91/278086591.db2.gz	WGQQQEFRSGVMSR-WHCAJBEMSA-N	-1	0	251.326	1.936	40	0		CDABRM
Cc1cc(NC(=O)[C@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C(=O)[O-])no1	ZINC000006741493	301361262	/nfs/dbraw/zinc/36/12/62/301361262.db2.gz	VWKLZYXQRUKODN-QCZKYFFMSA-N	-1	0	276.292	1.835	40	0		CDABRM
O=C([O-])CCN(Cc1ccccc1)C(=O)[C@@H]1CCCOC1	ZINC000678973590	483237486	/nfs/dbraw/zinc/23/74/86/483237486.db2.gz	HBTPILZVVQVGBF-CQSZACIVSA-N	-1	0	291.347	1.917	40	0		CDABRM
Cc1ccc(-c2nnc(CS(=O)(=O)[O-])o2)cc1	ZINC000408712120	534225042	/nfs/dbraw/zinc/22/50/42/534225042.db2.gz	KXZAAWKZQYNKAM-UHFFFAOYSA-N	-1	0	254.267	1.433	40	0		CDABRM
COc1ccc(OC)c(/C=C/C(=O)NCCCC(=O)[O-])c1	ZINC000062714613	524798762	/nfs/dbraw/zinc/79/87/62/524798762.db2.gz	DUYGDPIQHNJJOP-VMPITWQZSA-N	-1	0	293.319	1.698	40	0		CDABRM
Cc1ncccc1-c1nnc(SCC(=O)[O-])n1C	ZINC000116937310	527352991	/nfs/dbraw/zinc/35/29/91/527352991.db2.gz	LURJDBZFIYHIJU-UHFFFAOYSA-N	-1	0	264.310	1.362	40	0		CDABRM
CCC(CC)(CC(=O)[O-])NC(=O)c1ccc(C)nn1	ZINC000909375791	791480238	/nfs/dbraw/zinc/48/02/38/791480238.db2.gz	SAIBNKZJPWSXGI-UHFFFAOYSA-N	-1	0	265.313	1.548	40	0		CDABRM
CCn1nc(-c2ccc(OC)cc2)cc(C(=O)[O-])c1=O	ZINC000082459170	178034172	/nfs/dbraw/zinc/03/41/72/178034172.db2.gz	YLLFZHPXVCJUNC-UHFFFAOYSA-N	-1	0	274.276	1.637	40	0		CDABRM
O=C([O-])CN(CC1CC1)C(=O)c1n[nH]c2ccccc21	ZINC000036884114	539141372	/nfs/dbraw/zinc/14/13/72/539141372.db2.gz	NMUYBBITXOIJDN-UHFFFAOYSA-N	-1	0	273.292	1.500	40	0		CDABRM
Cc1cc(NS(=O)(=O)N2CCC2)cc(C(=O)[O-])c1	ZINC000332480182	362553804	/nfs/dbraw/zinc/55/38/04/362553804.db2.gz	UVWUZJKJEFBKFQ-UHFFFAOYSA-N	-1	0	270.310	1.056	40	0		CDABRM
Cc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccnc3)C2=O)o1	ZINC000006966989	348732345	/nfs/dbraw/zinc/73/23/45/348732345.db2.gz	IEKLGGXJTXKOSM-KPKJPENVSA-N	-1	0	297.270	1.649	40	0		CDABRM
C[C@H](NC(=O)c1cn[nH]n1)c1ccc2c(c1)OCCO2	ZINC000108286059	186211942	/nfs/dbraw/zinc/21/19/42/186211942.db2.gz	FRZYNFZTCXQLFS-QMMMGPOBSA-N	-1	0	274.280	1.067	40	0		CDABRM
O=C([O-])C1(C(=O)NCc2cc3ccccc3o2)CC1	ZINC000154800792	188162659	/nfs/dbraw/zinc/16/26/59/188162659.db2.gz	BTXDGAXMBSIPGS-UHFFFAOYSA-N	-1	0	259.261	1.914	40	0		CDABRM
CC(=O)N[C@@H](CSCC(=O)c1ccccc1)C(=O)[O-]	ZINC000001683752	355947323	/nfs/dbraw/zinc/94/73/23/355947323.db2.gz	GBXIYVFOFVBRGY-NSHDSACASA-N	-1	0	281.333	1.192	40	0	in-vitro	CDABRM
O=C([O-])C1(NC(=O)c2ccccc2F)CCCC1	ZINC000012357039	356295011	/nfs/dbraw/zinc/29/50/11/356295011.db2.gz	IFSONEMYXXNOCA-UHFFFAOYSA-N	-1	0	251.257	1.953	40	0		CDABRM
CCOC(=O)C=C(C)N[C@@H](C(=O)[O-])c1ccc(O)cc1	ZINC000033953332	356809756	/nfs/dbraw/zinc/80/97/56/356809756.db2.gz	GGGUKEUZOYLABH-LJTDUEICSA-N	-1	0	279.292	1.574	40	0		CDABRM
CSc1nc(=O)c2c(C)c(C(=O)[O-])sc2[nH]1	ZINC000036644076	356876692	/nfs/dbraw/zinc/87/66/92/356876692.db2.gz	USTQQITURGSDJK-UHFFFAOYSA-N	-1	0	256.308	1.713	40	0		CDABRM
COc1ccc(C[C@H](C(=O)[O-])N2CCOCC2)c(OC)c1	ZINC000041484911	357038300	/nfs/dbraw/zinc/03/83/00/357038300.db2.gz	VFYMYVXTCBJOBH-CYBMUJFWSA-N	-1	0	295.335	1.032	40	0		CDABRM
C[Si](C)(c1ccccc1)[C@H]1CC=C(CO)[C@@H]1C(=O)[O-]	ZINC000198001413	358550275	/nfs/dbraw/zinc/55/02/75/358550275.db2.gz	FHOHJSKIYDHHOL-KBPBESRZSA-N	-1	0	276.408	1.995	40	0		CDABRM
COc1ccc(NC=C2SC([O-])=NC2=O)cc1	ZINC000101279333	358842856	/nfs/dbraw/zinc/84/28/56/358842856.db2.gz	QYMRCBDEPFRIOZ-TWGQIWQCSA-N	-1	0	250.279	1.932	40	0		CDABRM
CCc1nc2n(n1)[C@H](c1ccccn1)CC(C(=O)[O-])=N2	ZINC000102334196	358875875	/nfs/dbraw/zinc/87/58/75/358875875.db2.gz	ZQVCYACSANGSMZ-JTQLQIEISA-N	-1	0	271.280	1.219	40	0		CDABRM
C[C@H](c1ccccc1F)n1nccc(C(=O)[O-])c1=O	ZINC000095097649	366517484	/nfs/dbraw/zinc/51/74/84/366517484.db2.gz	QCWQENAKKLBTIH-MRVPVSSYSA-N	-1	0	262.240	1.690	40	0		CDABRM
CC(=O)c1cc(C(=O)[O-])c(=O)n(-c2ccc(C)cc2)n1	ZINC000225965861	359636411	/nfs/dbraw/zinc/63/64/11/359636411.db2.gz	JVVXSNKCKGNEDZ-UHFFFAOYSA-N	-1	0	272.260	1.442	40	0		CDABRM
O=C([N-]S(=O)(=O)[C@H]1C[C@@H]2CC[C@H]1C2)c1ccsc1	ZINC000408493319	359857912	/nfs/dbraw/zinc/85/79/12/359857912.db2.gz	GKTMSRIKFFCOBQ-YWVKMMECSA-N	-1	0	285.390	1.996	40	0		CDABRM
O=C([O-])Cn1ncc2c3cc(Cl)ccc3[nH]c2c1=O	ZINC000408712451	304091513	/nfs/dbraw/zinc/09/15/13/304091513.db2.gz	HZCHYXBPHNXRKH-UHFFFAOYSA-N	-1	0	277.667	1.616	40	0		CDABRM
CC(=O)NC(=S)Nc1cccc(/C=C/C(=O)[O-])c1	ZINC000226322871	360691696	/nfs/dbraw/zinc/69/16/96/360691696.db2.gz	VXNCYPWXKXFPJH-AATRIKPKSA-N	-1	0	264.306	1.617	40	0		CDABRM
Cc1cc(F)ccc1C(=O)N[C@@H](C)[C@@H](C)C(=O)[O-]	ZINC000132924281	361298053	/nfs/dbraw/zinc/29/80/53/361298053.db2.gz	BHOYJYIVMHROBH-BDAKNGLRSA-N	-1	0	253.273	1.973	40	0		CDABRM
COc1cc([C@H]2NC[C@@H](C(=O)[O-])S2)cc(OC)c1OC	ZINC000408977282	363775215	/nfs/dbraw/zinc/77/52/15/363775215.db2.gz	HZBSKWWUKIUVQS-JQWIXIFHSA-N	-1	0	299.348	1.501	40	0		CDABRM
Cc1cc(S(=O)(=O)[N-]C(=O)[C@H]2CC2(F)F)sc1C	ZINC000408496389	361406874	/nfs/dbraw/zinc/40/68/74/361406874.db2.gz	PMHFKIRIIYAIHM-SSDOTTSWSA-N	-1	0	295.332	1.825	40	0		CDABRM
O=C([O-])[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)NCc1ccncc1	ZINC000101704572	364437069	/nfs/dbraw/zinc/43/70/69/364437069.db2.gz	VPQWDGNJPXQZTL-RNJOBUHISA-N	-1	0	272.304	1.221	40	0		CDABRM
O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)NCc1ccoc1	ZINC000004009174	364790595	/nfs/dbraw/zinc/79/05/95/364790595.db2.gz	SGWSACQEQBEJCG-KXNHARMFSA-N	-1	0	261.277	1.419	40	0		CDABRM
COC(=O)[C@H]([N-]C(=O)C(F)(F)F)c1ccccc1	ZINC000002380091	374230595	/nfs/dbraw/zinc/23/05/95/374230595.db2.gz	UZPZHEHQDFPRST-MRVPVSSYSA-N	-1	0	261.199	1.579	40	0		CDABRM
COCCNC(=O)C[C@@H](CC(=O)[O-])c1ccc(OC)cc1	ZINC000057623268	375545666	/nfs/dbraw/zinc/54/56/66/375545666.db2.gz	MUMXXTKSJNZQSW-LBPRGKRZSA-N	-1	0	295.335	1.406	40	0		CDABRM
COCCCNC(=O)C[C@@H](CC(=O)[O-])c1cccs1	ZINC000057595447	375536715	/nfs/dbraw/zinc/53/67/15/375536715.db2.gz	SEMPYVBZCDGNTP-JTQLQIEISA-N	-1	0	285.365	1.849	40	0		CDABRM
CN1CCN(C(=O)C[C@H](CC(=O)[O-])c2cccs2)CC1	ZINC000057625581	375545208	/nfs/dbraw/zinc/54/52/08/375545208.db2.gz	CKFDEMIAYAPWNY-LLVKDONJSA-N	-1	0	296.392	1.471	40	0		CDABRM
CN(C(=O)Cn1cc(C(=O)[O-])ccc1=O)c1ccccc1	ZINC000257198214	190010678	/nfs/dbraw/zinc/01/06/78/190010678.db2.gz	WIMPUOVODIZHMN-UHFFFAOYSA-N	-1	0	286.287	1.210	40	0		CDABRM
CCn1ccc(C(=O)N2CCCC[C@]2(C)C(=O)[O-])n1	ZINC000257228079	190016336	/nfs/dbraw/zinc/01/63/36/190016336.db2.gz	FSFOHFDUGGKETC-CYBMUJFWSA-N	-1	0	265.313	1.372	40	0		CDABRM
CCS(=O)(=O)[C@@H]1[C@@H](c2ccccc2)[C@@]1(COC)C(=O)[O-]	ZINC000218028245	375779400	/nfs/dbraw/zinc/77/94/00/375779400.db2.gz	BNQDVPWQAXSPKA-YRGRVCCFSA-N	-1	0	298.360	1.305	40	0		CDABRM
CCS(=O)(=O)[C@@H]1[C@@H](C(=O)[O-])[C@@H]1c1ccc(OC)cc1	ZINC000218088068	375788186	/nfs/dbraw/zinc/78/81/86/375788186.db2.gz	PBCDZGYGBDQEOZ-SRVKXCTJSA-N	-1	0	284.333	1.297	40	0		CDABRM
CCS(=O)(=O)[C@H]1[C@@H](C(=O)[O-])[C@@H]1c1cccc(F)c1	ZINC000218426513	375833278	/nfs/dbraw/zinc/83/32/78/375833278.db2.gz	JPWSRQYNXQUAQT-GARJFASQSA-N	-1	0	272.297	1.427	40	0		CDABRM
O=C([O-])c1n[nH]c2cccc(I)c21	ZINC000014983493	304216354	/nfs/dbraw/zinc/21/63/54/304216354.db2.gz	JDXXIOOVFOGOHH-UHFFFAOYSA-N	-1	0	288.044	1.866	40	0		CDABRM
Cc1nnnn1[C@H](Cc1ccc(Cl)cc1)C(=O)[O-]	ZINC000072221055	256706704	/nfs/dbraw/zinc/70/67/04/256706704.db2.gz	VSGISWVNOWJZML-SNVBAGLBSA-N	-1	0	266.688	1.503	40	0		CDABRM
COCc1cc(N2CC[C@H](C(=O)[O-])C2)nc(C2CC2)n1	ZINC000096516971	390532173	/nfs/dbraw/zinc/53/21/73/390532173.db2.gz	YACFUKYQIBOZMD-JTQLQIEISA-N	-1	0	277.324	1.411	40	0		CDABRM
O=C([O-])c1cn(-c2cc(N3CCCCCC3)ncn2)cn1	ZINC000096517380	390533310	/nfs/dbraw/zinc/53/33/10/390533310.db2.gz	IJFRDKVLFWNAPV-UHFFFAOYSA-N	-1	0	287.323	1.741	40	0		CDABRM
O=C([O-])c1nnc2cc(Cl)c(Cl)cc2c1O	ZINC000225743326	304282735	/nfs/dbraw/zinc/28/27/35/304282735.db2.gz	BKYFCBRHTIUSOS-UHFFFAOYSA-N	-1	0	259.048	1.928	40	0		CDABRM
O=S(=O)([O-])c1cncc(Cl)c1N1CCCC1	ZINC000072210813	390618244	/nfs/dbraw/zinc/61/82/44/390618244.db2.gz	LZNYVBRKMHNUFF-UHFFFAOYSA-N	-1	0	262.718	1.582	40	0		CDABRM
COCCn1nc([C@@H](C)C(=O)[O-])c2ccccc2c1=O	ZINC000072209278	390616265	/nfs/dbraw/zinc/61/62/65/390616265.db2.gz	LAEHJXDSJQCLCC-SECBINFHSA-N	-1	0	276.292	1.231	40	0		CDABRM
CC(C)(C)n1c(=O)[nH]c2cc(C(=O)[O-])ccc2c1=O	ZINC000045949952	390668163	/nfs/dbraw/zinc/66/81/63/390668163.db2.gz	QNWORALVGDEODO-UHFFFAOYSA-N	-1	0	262.265	1.143	40	0		CDABRM
CCc1ncc([N-]S(=O)(=O)c2cccc(F)c2)cn1	ZINC000161909194	390916322	/nfs/dbraw/zinc/91/63/22/390916322.db2.gz	NWSLRVDKXDJQPA-UHFFFAOYSA-N	-1	0	281.312	1.979	40	0		CDABRM
CC(=O)c1cccc(-n2c(=O)c(C(=O)[O-])c[nH]c2=S)c1	ZINC000020156313	391349524	/nfs/dbraw/zinc/34/95/24/391349524.db2.gz	JTASGALMLOMKDE-UHFFFAOYSA-N	-1	0	290.300	1.796	40	0		CDABRM
CC(C)C[C@H]([NH2+]Cc1ccc(OCC(=O)[O-])cc1)C(=O)[O-]	ZINC000062716885	391565062	/nfs/dbraw/zinc/56/50/62/391565062.db2.gz	PXGJCSSGYWXGQH-ZDUSSCGKSA-N	-1	0	295.335	1.739	40	0		CDABRM
O=C([O-])[C@@H]1C[C@H]1S(=O)(=O)c1ccc(Cl)cc1	ZINC000218004379	130765168	/nfs/dbraw/zinc/76/51/68/130765168.db2.gz	ULVYOCNOCGILRF-RKDXNWHRSA-N	-1	0	260.698	1.587	40	0		CDABRM
O=C([O-])CCNC(=O)CSc1cnc2ccccc2n1	ZINC000004942597	170043101	/nfs/dbraw/zinc/04/31/01/170043101.db2.gz	NVDHAWCOPHZOCG-UHFFFAOYSA-N	-1	0	291.332	1.313	40	0		CDABRM
CCC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)[O-]	ZINC000004996496	170051444	/nfs/dbraw/zinc/05/14/44/170051444.db2.gz	ITOUTPBZECRSID-JTQLQIEISA-N	-1	0	291.756	1.872	40	0		CDABRM
CCc1cccc(NC(=O)[C@@H]2[C@@H](C(=O)[O-])[C@H]3C=C[C@@H]2O3)c1	ZINC000005908987	170153567	/nfs/dbraw/zinc/15/35/67/170153567.db2.gz	QZIMBOVHLJZHLU-CRWXNKLISA-N	-1	0	287.315	1.842	40	0		CDABRM
O=C([O-])[C@H]1[C@H]2C=C[C@H](CC2)[C@H]1C(=O)NCc1cccnc1	ZINC000006714571	170231525	/nfs/dbraw/zinc/23/15/25/170231525.db2.gz	OHUIMECECYWTRW-RQJABVFESA-N	-1	0	286.331	1.611	40	0		CDABRM
O=C([O-])CCc1cccc(S(=O)(=O)N2CCCC2)c1	ZINC000032128849	171714209	/nfs/dbraw/zinc/71/42/09/171714209.db2.gz	MQPJSTDJGQFNGN-UHFFFAOYSA-N	-1	0	283.349	1.488	40	0		CDABRM
C[C@H]1CN(CCNc2ncccc2C(=O)[O-])[C@@H](C)CO1	ZINC000662884595	413654481	/nfs/dbraw/zinc/65/44/81/413654481.db2.gz	WORWNBDWBPWOLA-QWRGUYRKSA-N	-1	0	279.340	1.301	40	0		CDABRM
COc1cc(OC)c([C@@H]2C[C@@H]2C(=O)[O-])c(OC)c1	ZINC000037381121	173168051	/nfs/dbraw/zinc/16/80/51/173168051.db2.gz	OBSYFNQMPARXGE-BDAKNGLRSA-N	-1	0	252.266	1.901	40	0		CDABRM
COc1ccccc1/C=C/C(=O)NCCCC(=O)[O-]	ZINC000037409932	173185592	/nfs/dbraw/zinc/18/55/92/173185592.db2.gz	WOJOMEDOENFSSE-CMDGGOBGSA-N	-1	0	263.293	1.689	40	0		CDABRM
CCOC(=O)C1=NN(c2ccccc2OC)[C@@H](C(=O)[O-])C1	ZINC000071979286	176307931	/nfs/dbraw/zinc/30/79/31/176307931.db2.gz	ZNDHYMYBRBEKKU-LLVKDONJSA-N	-1	0	292.291	1.278	40	0		CDABRM
O=C([O-])C1=CCCN(C(=O)CCc2ccccc2)C1	ZINC000072226963	176343396	/nfs/dbraw/zinc/34/33/96/176343396.db2.gz	JAWAGBATFAJSHA-UHFFFAOYSA-N	-1	0	259.305	1.863	40	0		CDABRM
COc1ccccc1N1CCN(CC(=O)[O-])C1=O	ZINC000075757293	176777847	/nfs/dbraw/zinc/77/78/47/176777847.db2.gz	KYAABRGBASHJDX-UHFFFAOYSA-N	-1	0	250.254	1.022	40	0		CDABRM
O=C([O-])CCn1nnc(-c2ccc(Br)cc2)n1	ZINC000076570383	177040513	/nfs/dbraw/zinc/04/05/13/177040513.db2.gz	JCJIVYIRHRDAMQ-UHFFFAOYSA-N	-1	0	297.112	1.577	40	0		CDABRM
Cc1c2c(cc(=O)n1C)[n-]n(-c1ccc(Cl)cc1)c2=O	ZINC000059707509	260229184	/nfs/dbraw/zinc/22/91/84/260229184.db2.gz	GSHKVPZXIRAKQV-UHFFFAOYSA-N	-1	0	289.722	1.979	40	0		CDABRM
COc1ccc(-c2n[n-]c3nc(C)cc(=O)n32)cc1	ZINC000100846703	295048604	/nfs/dbraw/zinc/04/86/04/295048604.db2.gz	FPYFILNMBKLHIB-UHFFFAOYSA-N	-1	0	256.265	1.402	40	0		CDABRM
Cc1cc(Cl)ccc1-n1c(=O)[nH]cc(C(=O)[O-])c1=O	ZINC000078401830	301289672	/nfs/dbraw/zinc/28/96/72/301289672.db2.gz	OHHIUAGMANOFSU-UHFFFAOYSA-N	-1	0	280.667	1.186	40	0		CDABRM
Cn1ccc(CN2CC[C@@H](C(=O)[O-])c3ccccc32)n1	ZINC000211853283	323573641	/nfs/dbraw/zinc/57/36/41/323573641.db2.gz	PDJRUYSTRUDZIP-CYBMUJFWSA-N	-1	0	271.320	1.999	40	0		CDABRM
O=C([O-])[C@@H](NC(=O)[C@H]1CCCOC1)c1ccccc1F	ZINC000678990255	483245184	/nfs/dbraw/zinc/24/51/84/483245184.db2.gz	TVZCJDHLKHNMLP-CABZTGNLSA-N	-1	0	281.283	1.494	40	0		CDABRM
CN1C(=O)C[C@](C)(C(=O)[O-])c2cc(F)c(F)cc21	ZINC000062712458	523711905	/nfs/dbraw/zinc/71/19/05/523711905.db2.gz	DHLKAXFTTUETCO-LBPRGKRZSA-N	-1	0	255.220	1.674	40	0		CDABRM
CCCc1nn2c([n-]1)nc(CCC)c(Cl)c2=O	ZINC000016989461	528756844	/nfs/dbraw/zinc/75/68/44/528756844.db2.gz	MXYOUWVKCBRFJS-UHFFFAOYSA-N	-1	0	254.721	1.976	40	0		CDABRM
O=C([O-])C(=O)c1cccc(I)c1	ZINC000238671283	1158451825	/nfs/dbraw/zinc/45/18/25/1158451825.db2.gz	SXJSICIFYMGOFE-UHFFFAOYSA-N	-1	0	276.029	1.559	40	0		CDABRM
O=C([O-])[C@H]1CCCC[C@@H]1C(=O)NC[C@H]1CCCO1	ZINC001547139863	974834090	/nfs/dbraw/zinc/83/40/90/974834090.db2.gz	YVVSNSZUJWTKKY-VWYCJHECSA-N	-1	0	255.314	1.173	40	0		CDABRM
Cn1nc(OC[C@H]2CCCO2)c2ccc(C(=O)[O-])cc21	ZINC000225772375	230399729	/nfs/dbraw/zinc/39/97/29/230399729.db2.gz	CQFKDNGIWVHTRE-SNVBAGLBSA-N	-1	0	276.292	1.829	40	0		CDABRM
O=C([O-])Cc1ccccc1-c1nn2cnnc2s1	ZINC000041126833	361787673	/nfs/dbraw/zinc/78/76/73/361787673.db2.gz	PWZGZEQAMGIAOP-UHFFFAOYSA-N	-1	0	260.278	1.480	40	0		CDABRM
CCOC(=O)c1cc(C(=O)[O-])nn1CC(F)(F)F	ZINC000408717438	365730396	/nfs/dbraw/zinc/73/03/96/365730396.db2.gz	AAZUUDUHHGCROT-UHFFFAOYSA-N	-1	0	266.175	1.320	40	0		CDABRM
COc1ccc([C@H]2OC(=O)C[C@H]2C(=O)[O-])c(OC)c1	ZINC000085394093	179048495	/nfs/dbraw/zinc/04/84/95/179048495.db2.gz	CDSGNMQCRQLZCR-BXKDBHETSA-N	-1	0	266.249	1.393	40	0		CDABRM
O=C1[N-]C(=O)[C@@]2(CCc3cc(Br)ccc32)O1	ZINC000584648660	346506737	/nfs/dbraw/zinc/50/67/37/346506737.db2.gz	QGXOQPVPPXLVDX-NSHDSACASA-N	-1	0	282.093	1.857	40	0		CDABRM
O=C([O-])c1nn(-c2ccccc2F)nc1Br	ZINC000089263410	179762496	/nfs/dbraw/zinc/76/24/96/179762496.db2.gz	GKUXUIDZFRNGKG-UHFFFAOYSA-N	-1	0	286.060	1.867	40	0		CDABRM
CCCCS(=O)(=O)Nc1cccc(C(=O)[O-])c1	ZINC000001655447	355944912	/nfs/dbraw/zinc/94/49/12/355944912.db2.gz	UKXFHPDHTRKHDN-UHFFFAOYSA-N	-1	0	257.311	1.927	40	0		CDABRM
O=C([O-])[C@@H]1C[C@@H](C(=O)[O-])[NH2+][C@H]1c1ccc(Cl)cc1	ZINC000004465574	356358259	/nfs/dbraw/zinc/35/82/59/356358259.db2.gz	MMUGORBTGPYPOV-UTLUCORTSA-N	-1	0	269.684	1.528	40	0		CDABRM
O=[P@@]([O-])(O)[C@H](Nc1nc[nH]n1)c1ccccc1	ZINC000016477574	356440426	/nfs/dbraw/zinc/44/04/26/356440426.db2.gz	XRSNTJSZEMUFIB-QMMMGPOBSA-N	-1	0	254.186	1.093	40	0		CDABRM
CC(C)CCNS(=O)(=O)c1cccc(C(=O)[O-])c1	ZINC000019390760	356484429	/nfs/dbraw/zinc/48/44/29/356484429.db2.gz	LUJHGZZSUREBFI-UHFFFAOYSA-N	-1	0	271.338	1.709	40	0		CDABRM
CCS(=O)(=O)N1c2ccc(C(=O)[O-])cc2C[C@@H]1C	ZINC000034776358	356820405	/nfs/dbraw/zinc/82/04/05/356820405.db2.gz	YNCVMQYSSZNZBU-QMMMGPOBSA-N	-1	0	269.322	1.486	40	0		CDABRM
COc1ccc(OCc2ncc(C(=O)[O-])c(=O)[nH]2)cc1	ZINC000049468501	357216336	/nfs/dbraw/zinc/21/63/36/357216336.db2.gz	UPKHKSIWRKHQTR-UHFFFAOYSA-N	-1	0	276.248	1.056	40	0		CDABRM
O=C([O-])[C@H]1C[C@]12c1ccccc1N(CC1CC1)C2=O	ZINC000096243471	358724824	/nfs/dbraw/zinc/72/48/24/358724824.db2.gz	ZDDGMDKINHMITI-ABAIWWIYSA-N	-1	0	257.289	1.786	40	0		CDABRM
CC[C@@H](C)NC(=O)COc1ccc(C(=O)[O-])cc1OC	ZINC000013419777	366470183	/nfs/dbraw/zinc/47/01/83/366470183.db2.gz	RIBIJVPYFSGJRU-SECBINFHSA-N	-1	0	281.308	1.687	40	0		CDABRM
COc1ccc2c(c1)C[C@H](CCC(=O)[O-])C(=O)N2C	ZINC000064874341	374240672	/nfs/dbraw/zinc/24/06/72/374240672.db2.gz	VLIKSWCPFKIQKL-VIFPVBQESA-N	-1	0	263.293	1.695	40	0		CDABRM
C[C@@H](C(=O)N(C)C)S(=O)(=O)[N-]c1noc2ccccc21	ZINC000330579245	376281077	/nfs/dbraw/zinc/28/10/77/376281077.db2.gz	IFRMHMLJEAKKAT-QMMMGPOBSA-N	-1	0	297.336	1.046	40	0		CDABRM
O=C([O-])[C@H]1[C@@H]2C=C[C@@H](O2)[C@H]1C(=O)NC1CCCCCC1	ZINC000005897363	304210022	/nfs/dbraw/zinc/21/00/22/304210022.db2.gz	HYCFRKTXICJVPV-XQHKEYJVSA-N	-1	0	279.336	1.480	40	0		CDABRM
O=C([O-])c1ccc(O)c(I)n1	ZINC000039201303	304248776	/nfs/dbraw/zinc/24/87/76/304248776.db2.gz	XFCLVVRAEPZKNU-UHFFFAOYSA-N	-1	0	265.006	1.090	40	0		CDABRM
CC[C@@H](NC(=O)c1cc(F)ccc1OC)C(=O)[O-]	ZINC000236959977	391664174	/nfs/dbraw/zinc/66/41/74/391664174.db2.gz	VDKWEHMLWKNCRT-SECBINFHSA-N	-1	0	255.245	1.427	40	0		CDABRM
COc1ccc([C@H]2COC(=O)[C@@H]2C(=O)[O-])cc1OC	ZINC000242592441	391943701	/nfs/dbraw/zinc/94/37/01/391943701.db2.gz	OUQWZIPKUAMFEX-KCJUWKMLSA-N	-1	0	266.249	1.045	40	0		CDABRM
COC[C@@H](C)C(=O)Nc1ccc(C)c(C(=O)[O-])c1	ZINC000237159427	131009257	/nfs/dbraw/zinc/00/92/57/131009257.db2.gz	BRVVDMMYRGMAPN-SECBINFHSA-N	-1	0	251.282	1.914	40	0		CDABRM
O=S(=O)([N-]C(=S)N1CCCC1)c1ccccc1	ZINC000005375766	170091346	/nfs/dbraw/zinc/09/13/46/170091346.db2.gz	FQDFBIVROVWOKS-UHFFFAOYSA-N	-1	0	270.379	1.346	40	0		CDABRM
O=C([O-])[C@H]1[C@@H](C(=O)NCc2ccc(F)cc2)[C@H]2CC[C@@H]1O2	ZINC000015746541	170676335	/nfs/dbraw/zinc/67/63/35/170676335.db2.gz	DQLLUVBHRLNJGL-MROQNXINSA-N	-1	0	293.294	1.320	40	0		CDABRM
COc1cc(C2=NO[C@@H](C(=O)[O-])C2)cc(OC)c1OC	ZINC000020594111	171263451	/nfs/dbraw/zinc/26/34/51/171263451.db2.gz	GKTAYBRIPSZOSH-LLVKDONJSA-N	-1	0	281.264	1.290	40	0		CDABRM
O=C([O-])[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)NCc1cccnc1	ZINC000071793138	176264129	/nfs/dbraw/zinc/26/41/29/176264129.db2.gz	HXPMRMUNVRANRB-RNJOBUHISA-N	-1	0	272.304	1.221	40	0		CDABRM
CCOC(=O)C1=NN(c2ccc(F)cc2)[C@](C)(C(=O)[O-])C1	ZINC000071979600	176307718	/nfs/dbraw/zinc/30/77/18/176307718.db2.gz	LINQBIZLNXWDJS-AWEZNQCLSA-N	-1	0	294.282	1.798	40	0		CDABRM
CCn1ccc([N-]S(=O)(=O)c2cnn(C(C)C)c2)n1	ZINC000072239137	176346956	/nfs/dbraw/zinc/34/69/56/176346956.db2.gz	LSIKZGWXCKEXRA-UHFFFAOYSA-N	-1	0	283.357	1.481	40	0		CDABRM
CC(C)(C)OC(=O)N1CC[C@@H](n2cc(C(=O)[O-])cn2)C1	ZINC000072366193	176381375	/nfs/dbraw/zinc/38/13/75/176381375.db2.gz	QAEWMULSZLSBTP-SNVBAGLBSA-N	-1	0	281.312	1.763	40	0		CDABRM
CCOc1ccc(NC(=O)CSCC(=O)[O-])cc1	ZINC000000420830	260919551	/nfs/dbraw/zinc/91/95/51/260919551.db2.gz	OKOLGSDYWWHGFR-UHFFFAOYSA-N	-1	0	269.322	1.842	40	0		CDABRM
Cc1ccccc1[C@@H]1N[C@@H](C(=O)[O-])Cc2[nH]cnc21	ZINC000005818618	302169235	/nfs/dbraw/zinc/16/92/35/302169235.db2.gz	CXOWHMVJZDSFAU-NEPJUHHUSA-N	-1	0	257.293	1.406	40	0		CDABRM
CC(=O)C1=C[C@H](c2ccccc2)C(=O)[C@H]1CC(=O)[O-]	ZINC000028628926	1165709372	/nfs/dbraw/zinc/70/93/72/1165709372.db2.gz	GHSGDWNOMJQCAX-OLZOCXBDSA-N	-1	0	258.273	1.959	40	0		CDABRM
Cc1c(-c2ccc3c(C(=O)[O-])nn(C)c3n2)cnn1C	ZINC000238853015	361739861	/nfs/dbraw/zinc/73/98/61/361739861.db2.gz	HWDNRSKYXAVLCN-UHFFFAOYSA-N	-1	0	271.280	1.375	40	0		CDABRM
Cn1nnc2cc(/C=C/c3cc(C(=O)[O-])ncn3)ccc21	ZINC000534879255	282212414	/nfs/dbraw/zinc/21/24/14/282212414.db2.gz	FFGDAWDXNPYXOI-DUXPYHPUSA-N	-1	0	281.275	1.627	40	0		CDABRM
CC(C)(C)OC(=O)CCCn1ccc(C(=O)[O-])n1	ZINC000408715855	365727717	/nfs/dbraw/zinc/72/77/17/365727717.db2.gz	FWHAYOAKFWDWGF-UHFFFAOYSA-N	-1	0	254.286	1.703	40	0		CDABRM
C[C@@H](CNC(=O)c1c([O-])cc(F)cc1F)C[C@H](C)O	ZINC000081796207	362214410	/nfs/dbraw/zinc/21/44/10/362214410.db2.gz	KPCVDNYEUPZYDM-SFYZADRCSA-N	-1	0	273.279	1.807	40	0		CDABRM
CCc1nn2c([n-]1)nc(Cc1ccccc1)cc2=O	ZINC000100137527	529747302	/nfs/dbraw/zinc/74/73/02/529747302.db2.gz	KEARVOXMUVSONY-UHFFFAOYSA-N	-1	0	254.293	1.571	40	0		CDABRM
CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C(=O)[O-])[C@H]3CC[C@]2(C1)O3	ZINC000322307819	345245739	/nfs/dbraw/zinc/24/57/39/345245739.db2.gz	XNNFGFGELSPHDF-HGUJLJSRSA-N	-1	0	283.324	1.486	40	0		CDABRM
COc1cccc([C@H]2OC(=O)C[C@@H]2C(=O)[O-])c1OC	ZINC000085394083	179048412	/nfs/dbraw/zinc/04/84/12/179048412.db2.gz	YETPCHIJGJYLFH-GZMMTYOYSA-N	-1	0	266.249	1.393	40	0		CDABRM
NC(=O)COc1ccc(/C=N/c2ccc(C(=O)[O-])cc2)cc1	ZINC000004657805	348729136	/nfs/dbraw/zinc/72/91/36/348729136.db2.gz	NFQYZQUJWPRRIQ-GIJQJNRQSA-N	-1	0	298.298	2.000	40	0		CDABRM
CC1(C)C[C@@H]1C(=O)N1CCSC[C@H](C(=O)[O-])C1	ZINC000621606935	350671534	/nfs/dbraw/zinc/67/15/34/350671534.db2.gz	IAASPFFYDJOCCJ-RKDXNWHRSA-N	-1	0	257.355	1.309	40	0		CDABRM
COc1ccc([C@H](CC(=O)[O-])NC(C)=O)cc1C	ZINC000000053378	355882271	/nfs/dbraw/zinc/88/22/71/355882271.db2.gz	LDJQYHJIZGTGCO-NSHDSACASA-N	-1	0	251.282	1.656	40	0		CDABRM
O=C([O-])[C@H](NC(=O)c1ccccc1)[C@@H](O)c1ccccc1	ZINC000001706102	355948823	/nfs/dbraw/zinc/94/88/23/355948823.db2.gz	BDKNRYXHGHTRCI-KGLIPLIRSA-N	-1	0	285.299	1.603	40	0		CDABRM
CCc1ccccc1NC(=O)c1c(C(=O)[O-])cnn1C	ZINC000036615515	356409675	/nfs/dbraw/zinc/40/96/75/356409675.db2.gz	MQWWQETVCFHHQR-UHFFFAOYSA-N	-1	0	273.292	1.933	40	0		CDABRM
Cn1cc([C@@H]2N[C@@H](C(=O)[O-])CS2)c2ccccc21	ZINC000408819391	363537616	/nfs/dbraw/zinc/53/76/16/363537616.db2.gz	RSDXCDXUWLFAHW-ZYHUDNBSSA-N	-1	0	262.334	1.967	40	0		CDABRM
COc1ccc([C@@H](C)NC(=O)/C(C)=C\C(=O)[O-])cc1	ZINC000041125359	357024274	/nfs/dbraw/zinc/02/42/74/357024274.db2.gz	ZDVSMNIBMBVOST-HSTULFTRSA-N	-1	0	263.293	1.903	40	0		CDABRM
O=C([O-])Cc1cnc(COc2ccc(Cl)cc2)[nH]c1=O	ZINC000049468621	357217077	/nfs/dbraw/zinc/21/70/77/357217077.db2.gz	UBWXFIJQBUHSEG-UHFFFAOYSA-N	-1	0	294.694	1.629	40	0		CDABRM
COCCc1ncc(C(=O)[O-])c(N2CCCCC2)n1	ZINC000049469159	357217526	/nfs/dbraw/zinc/21/75/26/357217526.db2.gz	YDEHLLTWIWJOLP-UHFFFAOYSA-N	-1	0	265.313	1.354	40	0		CDABRM
CC[C@](CNC(=O)[C@@H]1CCOC1)(C(=O)[O-])c1ccccc1	ZINC000262928949	359200456	/nfs/dbraw/zinc/20/04/56/359200456.db2.gz	GEWYMXHUPMHUKV-MLGOLLRUSA-N	-1	0	291.347	1.572	40	0		CDABRM
CCOc1ccc(Cc2ncc(C(=O)[O-])c(=O)[nH]2)cc1	ZINC000225009461	359544177	/nfs/dbraw/zinc/54/41/77/359544177.db2.gz	XHMUDHHWRWDXNC-UHFFFAOYSA-N	-1	0	274.276	1.458	40	0		CDABRM
COC(=O)C(NC(=O)OC(C)(C)C)=C([O-])c1ccccc1	ZINC000095470334	360588321	/nfs/dbraw/zinc/58/83/21/360588321.db2.gz	MXXIBQPGFSMKCN-NSHDSACASA-N	-1	0	293.319	1.936	40	0		CDABRM
CCS(=O)(=O)[C@@H]1[C@@H](C(=O)[O-])[C@@H]1c1ccc(F)cc1	ZINC000218424115	368567095	/nfs/dbraw/zinc/56/70/95/368567095.db2.gz	XZUXFHCEUDLFLX-DCAQKATOSA-N	-1	0	272.297	1.427	40	0		CDABRM
Nc1nccnc1C(=O)NC[C@@H](C(=O)[O-])C1CCCCC1	ZINC000630265324	368603971	/nfs/dbraw/zinc/60/39/71/368603971.db2.gz	NRCRHDUVSJRVRM-SNVBAGLBSA-N	-1	0	292.339	1.070	40	0		CDABRM
Cc1cc(CNC(=O)c2snnc2C)oc1C(=O)[O-]	ZINC000630333326	368733743	/nfs/dbraw/zinc/73/37/43/368733743.db2.gz	RBSSYGWFMMYHOX-UHFFFAOYSA-N	-1	0	281.293	1.376	40	0		CDABRM
O=C([O-])[C@H]1[C@@H](C(=O)Nc2ccc(F)c(F)c2)[C@H]2C=C[C@@H]1O2	ZINC000225752420	189763731	/nfs/dbraw/zinc/76/37/31/189763731.db2.gz	RAUJJXSCNLQUIA-NOOOWODRSA-N	-1	0	295.241	1.558	40	0		CDABRM
COc1cccc(CCn2cccc(C(=O)[O-])c2=O)c1	ZINC000049866733	370524052	/nfs/dbraw/zinc/52/40/52/370524052.db2.gz	COEHWQOOWBLPPJ-UHFFFAOYSA-N	-1	0	273.288	1.798	40	0		CDABRM
O=C([O-])[C@@](O)(c1ccc(Cl)cc1)C1(O)CCCC1	ZINC000001717752	304163112	/nfs/dbraw/zinc/16/31/12/304163112.db2.gz	QLQZACPSGYFUNX-ZDUSSCGKSA-N	-1	0	270.712	1.917	40	0		CDABRM
COCC1(C(=O)N=c2ccc(C(F)(F)F)n[n-]2)CCC1	ZINC000332441695	204701126	/nfs/dbraw/zinc/70/11/26/204701126.db2.gz	KDFKBQWZLFKCNM-UHFFFAOYSA-N	-1	0	289.257	1.673	40	0		CDABRM
O=C([O-])/C=C/C(=O)N1CCC[C@@H](C(F)(F)F)C1	ZINC000002451315	374152953	/nfs/dbraw/zinc/15/29/53/374152953.db2.gz	GJQYNPBSUHYCRY-KGGZQZJCSA-N	-1	0	251.204	1.428	40	0		CDABRM
O=S(=O)([N-]c1nsnc1Cl)c1ccccc1	ZINC000256053921	190005067	/nfs/dbraw/zinc/00/50/67/190005067.db2.gz	UEAXWLKJKPKRNB-UHFFFAOYSA-N	-1	0	275.742	1.992	40	0		CDABRM
CC(C)(C)c1n[n-]c(N(N)c2ccccc2)nc1=O	ZINC000041104955	379329092	/nfs/dbraw/zinc/32/90/92/379329092.db2.gz	BZKULGTWLFMYCR-UHFFFAOYSA-N	-1	0	259.313	1.474	40	0		CDABRM
COc1ccccc1NC(=O)CSCC(=O)[O-]	ZINC000000286044	169597255	/nfs/dbraw/zinc/59/72/55/169597255.db2.gz	GGANURIIYNEXHA-UHFFFAOYSA-N	-1	0	255.295	1.452	40	0		CDABRM
CCCn1cc([C@H]2[C@H](C(=O)[O-])CCC(=O)N2C)cn1	ZINC000096515706	390532163	/nfs/dbraw/zinc/53/21/63/390532163.db2.gz	FRMNCPAELBJXCG-PWSUYJOCSA-N	-1	0	265.313	1.287	40	0		CDABRM
O=C([O-])CN1C(=O)C(c2ccc(F)cc2)=NC12CCCC2	ZINC000096516411	390534601	/nfs/dbraw/zinc/53/46/01/390534601.db2.gz	NHOPUVPKYDMGHD-UHFFFAOYSA-N	-1	0	290.294	1.812	40	0		CDABRM
CC(C)[C@@H]1CCC2=C(C(=O)OC2)[C@@H]1/C=C(\CO)C(=O)[O-]	ZINC000031161785	391923736	/nfs/dbraw/zinc/92/37/36/391923736.db2.gz	YWASZTJGPFRWMW-RGEGJOEESA-N	-1	0	280.320	1.525	40	0	biogenic,in-vitro	CDABRM
CCCn1nc(C)c(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)c1C	ZINC000237056230	131001457	/nfs/dbraw/zinc/00/14/57/131001457.db2.gz	UTVNLYVJTSBTCZ-NEPJUHHUSA-N	-1	0	293.367	1.893	40	0		CDABRM
C[C@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(C(F)F)cc1	ZINC000262297190	131208775	/nfs/dbraw/zinc/20/87/75/131208775.db2.gz	JJACCAPONIKPNM-SSDOTTSWSA-N	-1	0	293.291	1.718	40	0		CDABRM
CCS(=O)(=O)[C@@H]1[C@H](C(=O)[O-])[C@H]1c1ccc(Cl)cc1	ZINC000252515470	392796809	/nfs/dbraw/zinc/79/68/09/392796809.db2.gz	KHOFEQXEGIVQQE-MXWKQRLJSA-N	-1	0	288.752	1.941	40	0		CDABRM
O=C([O-])[C@H]1CC12CCN(C(=O)CC[C@@H]1CCCO1)CC2	ZINC000262477690	149068393	/nfs/dbraw/zinc/06/83/93/149068393.db2.gz	TXXYLOMHCHZXPU-NWDGAFQWSA-N	-1	0	281.352	1.659	40	0		CDABRM
NS(=O)(=O)c1ccc(Nc2ncccc2C(=O)[O-])cc1	ZINC000005338038	170087431	/nfs/dbraw/zinc/08/74/31/170087431.db2.gz	MUMHVQOXFZQTIN-UHFFFAOYSA-N	-1	0	293.304	1.171	40	0		CDABRM
Cc1cccc([C@H]2N[C@@H](C(=O)[O-])Cc3[nH]cnc32)c1	ZINC000005818511	170143785	/nfs/dbraw/zinc/14/37/85/170143785.db2.gz	BTGPLKVLZKCBQX-VXGBXAGGSA-N	-1	0	257.293	1.406	40	0		CDABRM
CC(=O)Nc1cccc([N-]S(=O)(=O)c2cc(C)on2)c1	ZINC000006130095	170178946	/nfs/dbraw/zinc/17/89/46/170178946.db2.gz	RHWFUBUBENAIAL-UHFFFAOYSA-N	-1	0	295.320	1.742	40	0		CDABRM
C[C@@H](NC(=O)Cn1cc(C(=O)[O-])cn1)c1ccccc1	ZINC000020326040	171150812	/nfs/dbraw/zinc/15/08/12/171150812.db2.gz	RLYCFBRLFKGARS-SNVBAGLBSA-N	-1	0	273.292	1.459	40	0		CDABRM
CS(=O)(=O)[N-]c1nc(-c2cccc(N)c2)cs1	ZINC000020336475	171152718	/nfs/dbraw/zinc/15/27/18/171152718.db2.gz	JLGWKXJDHMIFBO-UHFFFAOYSA-N	-1	0	269.351	1.764	40	0		CDABRM
CC(C)CCNS(=O)(=O)c1cc(C(=O)[O-])ccc1F	ZINC000020567215	171255307	/nfs/dbraw/zinc/25/53/07/171255307.db2.gz	XJRSLFOBPRQUKL-UHFFFAOYSA-N	-1	0	289.328	1.848	40	0		CDABRM
COc1c(N)c(F)cc2c(=O)c(C(=O)[O-])cn(C3CC3)c21	ZINC000021993133	171346991	/nfs/dbraw/zinc/34/69/91/171346991.db2.gz	HFMKHBDEIOYPRL-UHFFFAOYSA-N	-1	0	292.266	1.765	40	0		CDABRM
CC(C)(O)C1=CC[C@]23CO[C@H](C2)[C@@](O)(C(=O)[O-])CC[C@@H]13	ZINC000031160198	171632271	/nfs/dbraw/zinc/63/22/71/171632271.db2.gz	LKOCXGZSSYQSLN-RBDSIQFVSA-N	-1	0	282.336	1.088	40	0	biogenic,in-vitro	CDABRM
O=C([O-])[C@@H]1C[C@@H](O)[C@@H](Nc2ccc(C(F)(F)F)nn2)C1	ZINC000662898061	413676107	/nfs/dbraw/zinc/67/61/07/413676107.db2.gz	RFROXGLFKHHPMC-LYFYHCNISA-N	-1	0	291.229	1.131	40	0		CDABRM
Cc1cc(NC(=O)[C@@H]2CC(=O)N(C)C2)ccc1C(=O)[O-]	ZINC000044750006	175244921	/nfs/dbraw/zinc/24/49/21/175244921.db2.gz	ZVJRCTRJAIDQNT-SECBINFHSA-N	-1	0	276.292	1.110	40	0		CDABRM
CCOC(=O)C1=NN(c2ccccc2CC)[C@@H](C(=O)[O-])C1	ZINC000071979280	176307865	/nfs/dbraw/zinc/30/78/65/176307865.db2.gz	BNXBHFNNAPNQPC-CYBMUJFWSA-N	-1	0	290.319	1.831	40	0		CDABRM
CCOC(=O)C1CCN(c2nc(C(=O)[O-])cs2)CC1	ZINC000072221350	176343246	/nfs/dbraw/zinc/34/32/46/176343246.db2.gz	USSKISQNNVRULS-UHFFFAOYSA-N	-1	0	284.337	1.621	40	0		CDABRM
COCc1cccc(S(=O)(=O)[N-]c2cccc(C)n2)c1	ZINC000072240298	176348131	/nfs/dbraw/zinc/34/81/31/176348131.db2.gz	UVLWAYKFPLEISW-UHFFFAOYSA-N	-1	0	292.360	1.759	40	0		CDABRM
COC[C@H](C)CC(=O)N1CCC[C@H](C)[C@@H]1C(=O)[O-]	ZINC000234688887	292996172	/nfs/dbraw/zinc/99/61/72/292996172.db2.gz	LYKVTJSMDHROCZ-JFGNBEQYSA-N	-1	0	257.330	1.371	40	0		CDABRM
Cc1cc(C)c(NC(=O)C[S@@](=O)CC(=O)[O-])c(C)c1	ZINC000072389852	301186453	/nfs/dbraw/zinc/18/64/53/301186453.db2.gz	JQBXYTDVGKWBSA-IBGZPJMESA-N	-1	0	283.349	1.384	40	0		CDABRM
Nc1nn(-c2cc(Cl)cc(Cl)c2)nc1C(=O)[O-]	ZINC000089263407	303506505	/nfs/dbraw/zinc/50/65/05/303506505.db2.gz	KNPKQKSGPJEQQA-UHFFFAOYSA-N	-1	0	273.079	1.855	40	0		CDABRM
O=c1[nH]c2ncccc2c([O-])c1I	ZINC000006188233	304814787	/nfs/dbraw/zinc/81/47/87/304814787.db2.gz	UCVLQXFALUIGAP-UHFFFAOYSA-N	-1	0	288.044	1.233	40	0		CDABRM
CC[C@@H](C(=O)[O-])N(C)S(=O)(=O)Cc1ccc(C)c(C)c1	ZINC000578196711	317488908	/nfs/dbraw/zinc/48/89/08/317488908.db2.gz	QUXYYPWTVBZFCH-ZDUSSCGKSA-N	-1	0	299.392	1.928	40	0		CDABRM
CNC(=O)c1cc2nc(C(=O)[O-])n(C)c2cc1Cl	ZINC000225730277	333182222	/nfs/dbraw/zinc/18/22/22/333182222.db2.gz	YYJDMVIVWVYZSB-UHFFFAOYSA-N	-1	0	267.672	1.285	40	0		CDABRM
Cc1c([C@H](C)NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])cnn1C	ZINC000245224767	334185249	/nfs/dbraw/zinc/18/52/49/334185249.db2.gz	DEWUHCPZILOYTQ-ZMLRMANQSA-N	-1	0	291.351	1.573	40	0		CDABRM
O=C([O-])CC1CCN(c2ncnc3c2CCC3)CC1	ZINC000093679872	482729210	/nfs/dbraw/zinc/72/92/10/482729210.db2.gz	JOKLPAKRBYAOAP-UHFFFAOYSA-N	-1	0	261.325	1.656	40	0		CDABRM
O=C([O-])[C@@H](NC(=O)[C@@H]1CCCOC1)c1ccccc1F	ZINC000678990260	483245065	/nfs/dbraw/zinc/24/50/65/483245065.db2.gz	TVZCJDHLKHNMLP-SKDRFNHKSA-N	-1	0	281.283	1.494	40	0		CDABRM
O=C([O-])[C@@H]1CC[C@H](C(=O)NCCCC(F)(F)F)O1	ZINC000222763283	534523323	/nfs/dbraw/zinc/52/33/23/534523323.db2.gz	JMOGLGWDVHGOHP-RQJHMYQMSA-N	-1	0	269.219	1.077	40	0		CDABRM
O=C([O-])c1c(Br)cnn1CC(F)F	ZINC000408716235	534541429	/nfs/dbraw/zinc/54/14/29/534541429.db2.gz	KGTUAVJLPCTNRS-UHFFFAOYSA-N	-1	0	255.018	1.609	40	0		CDABRM
O=C([O-])[C@@H]1CS[C@@H](Cc2ccccc2Cl)C(=O)N1	ZINC000062712094	526289129	/nfs/dbraw/zinc/28/91/29/526289129.db2.gz	DXARLDIXAASAJA-UWVGGRQHSA-N	-1	0	285.752	1.567	40	0		CDABRM
Cc1cnc2c(C(=O)N3CCC[C@]3(C)C(=O)[O-])cnn2c1	ZINC000902107049	618565320	/nfs/dbraw/zinc/56/53/20/618565320.db2.gz	MLQWOPKPLNBCRI-CQSZACIVSA-N	-1	0	288.307	1.117	40	0		CDABRM
C[C@@H]1C(=O)C[C@@H]2[C@H]3[C@H](O)C[C@@H](C(=O)[O-])[C@]21CC3(C)C	ZINC000248335171	938772544	/nfs/dbraw/zinc/77/25/44/938772544.db2.gz	MNWVNHAXLQLPLU-CNCLWHFFSA-N	-1	0	266.337	1.709	40	0	biogenic,in-vitro	CDABRM
CCn1c2ccc(Cl)cc2nc1S(=O)(=O)[O-]	ZINC000095532050	185005113	/nfs/dbraw/zinc/00/51/13/185005113.db2.gz	HXEHQCKLPMMKFN-UHFFFAOYSA-N	-1	0	260.702	1.956	40	0		CDABRM
COc1cc(N2CCC[C@H](C(=O)[O-])C2)nc(SC)n1	ZINC000079439531	136509629	/nfs/dbraw/zinc/50/96/29/136509629.db2.gz	RMFPYGXNWANQBF-QMMMGPOBSA-N	-1	0	283.353	1.508	40	0		CDABRM
CCCCCCNC(=O)[C@H]1[C@H]2C=C[C@H](O2)[C@@H]1C(=O)[O-]	ZINC000002086227	362677050	/nfs/dbraw/zinc/67/70/50/362677050.db2.gz	OINRSMJUULIMHA-RHYQMDGZSA-N	-1	0	267.325	1.337	40	0		CDABRM
CSCC[C@H](NC(=O)c1cccnc1Cl)C(=O)[O-]	ZINC000002539746	355974258	/nfs/dbraw/zinc/97/42/58/355974258.db2.gz	YOZGTOQDRFSYNH-QMMMGPOBSA-N	-1	0	288.756	1.671	40	0		CDABRM
Cc1c([C@@H](C)NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])cnn1C	ZINC000036611019	356244969	/nfs/dbraw/zinc/24/49/69/356244969.db2.gz	DEWUHCPZILOYTQ-USWWRNFRSA-N	-1	0	291.351	1.573	40	0		CDABRM
CCN(CC)C(=O)[C@@H]1CC(c2ccccc2O)=NO1	ZINC000012846324	356326949	/nfs/dbraw/zinc/32/69/49/356326949.db2.gz	HVYZUHACRGVICN-ZDUSSCGKSA-N	-1	0	262.309	1.754	40	0		CDABRM
COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])N1Cc1ccccc1	ZINC000034161204	356810779	/nfs/dbraw/zinc/81/07/79/356810779.db2.gz	PPRLCASKVDQSEK-RYUDHWBXSA-N	-1	0	263.293	1.277	40	0		CDABRM
COc1ccc(C[C@@H](C(=O)[O-])N2CCOCC2)c(OC)c1	ZINC000041484909	357037709	/nfs/dbraw/zinc/03/77/09/357037709.db2.gz	VFYMYVXTCBJOBH-ZDUSSCGKSA-N	-1	0	295.335	1.032	40	0		CDABRM
O=C([O-])C1CCN(C(=S)NC(=O)c2ccccc2)CC1	ZINC000141336602	357471283	/nfs/dbraw/zinc/47/12/83/357471283.db2.gz	JPKUZROFPLQIIY-UHFFFAOYSA-N	-1	0	292.360	1.498	40	0		CDABRM
COc1ccc(CNC(=O)[C@H]2CCCOC2)cc1C(=O)[O-]	ZINC000345772204	358879503	/nfs/dbraw/zinc/87/95/03/358879503.db2.gz	HBKGHGIQSCUADI-NSHDSACASA-N	-1	0	293.319	1.436	40	0		CDABRM
CNC(=S)Nc1cc(NC(=S)NC)cc(C(=O)[O-])c1	ZINC000216930812	358970469	/nfs/dbraw/zinc/97/04/69/358970469.db2.gz	SWZFCHGTNPOLFL-UHFFFAOYSA-N	-1	0	298.393	1.217	40	0		CDABRM
CCCCNc1ccc(C(=O)[O-])cc1S(N)(=O)=O	ZINC000217402467	358998902	/nfs/dbraw/zinc/99/89/02/358998902.db2.gz	ZRAQGIXWZHJZEW-UHFFFAOYSA-N	-1	0	272.326	1.244	40	0		CDABRM
O=C([O-])COCC(=O)Nc1ccc(Br)cc1	ZINC000000807002	359081489	/nfs/dbraw/zinc/08/14/89/359081489.db2.gz	LLUDWZRRIFWRCX-UHFFFAOYSA-N	-1	0	288.097	1.489	40	0		CDABRM
Cc1cc(C)c(C[C@H](C(=O)[O-])N2CCOCC2)c(C)c1	ZINC000225151838	359552988	/nfs/dbraw/zinc/55/29/88/359552988.db2.gz	CQUWFFCIFUJUPN-OAHLLOKOSA-N	-1	0	277.364	1.940	40	0		CDABRM
CCOc1cc(N2CCC(C(=O)[O-])CC2)nc(SC)n1	ZINC000079439732	374405292	/nfs/dbraw/zinc/40/52/92/374405292.db2.gz	UIZREJBERYIESY-UHFFFAOYSA-N	-1	0	297.380	1.898	40	0		CDABRM
COc1ccc(Cn2cc(C(=O)[O-])ccc2=O)cc1	ZINC000020018918	374836463	/nfs/dbraw/zinc/83/64/63/374836463.db2.gz	GXQPYBVPSLJQKQ-UHFFFAOYSA-N	-1	0	259.261	1.603	40	0		CDABRM
CN1CCN(C(=O)C[C@@H](CC(=O)[O-])c2cccs2)CC1	ZINC000057625578	375545671	/nfs/dbraw/zinc/54/56/71/375545671.db2.gz	CKFDEMIAYAPWNY-NSHDSACASA-N	-1	0	296.392	1.471	40	0		CDABRM
O=C([O-])c1cc(C(F)(F)F)c(N2CCCC2)nn1	ZINC000095096628	304224001	/nfs/dbraw/zinc/22/40/01/304224001.db2.gz	DRBSKVXJSNRRJE-UHFFFAOYSA-N	-1	0	261.203	1.794	40	0		CDABRM
O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@@H]1C(=O)NCCc1ccccc1	ZINC000000250132	169587204	/nfs/dbraw/zinc/58/72/04/169587204.db2.gz	ZPHBCOITRGMVGO-QPSCCSFWSA-N	-1	0	285.343	1.868	40	0		CDABRM
Cc1cc(C(=O)N[C@H](C)c2onc(C)c2C(=O)[O-])no1	ZINC000096297010	256793213	/nfs/dbraw/zinc/79/32/13/256793213.db2.gz	SNYZGMMNRPGJDT-SSDOTTSWSA-N	-1	0	279.252	1.469	40	0	biogenic,in-vitro	CDABRM
O=C([O-])c1ccc2c(c1)ncc(=O)n2C[C@@H]1CCCO1	ZINC000096516223	390534280	/nfs/dbraw/zinc/53/42/80/390534280.db2.gz	OYVZEBSWOJOQLY-JTQLQIEISA-N	-1	0	274.276	1.274	40	0		CDABRM
O=C([O-])c1nnn(Cc2ccccc2F)c1Cl	ZINC000072220891	390622215	/nfs/dbraw/zinc/62/22/15/390622215.db2.gz	IMGNLLFMTXWUHN-UHFFFAOYSA-N	-1	0	255.636	1.817	40	0		CDABRM
COc1ccc(OCc2snnc2C(=O)[O-])cc1	ZINC000072221240	390622961	/nfs/dbraw/zinc/62/29/61/390622961.db2.gz	QYDFARHCRALDAO-UHFFFAOYSA-N	-1	0	266.278	1.824	40	0		CDABRM
C[N@@H+]1CCc2nc(-c3ccc(F)cc3)[nH]c(=O)c2C1	ZINC000073667185	390641265	/nfs/dbraw/zinc/64/12/65/390641265.db2.gz	KZNVUIRZEGKKJT-UHFFFAOYSA-N	-1	0	259.284	1.564	40	0		CDABRM
CC(=O)c1c(=O)oc2ccccc2c1NCCC(=O)[O-]	ZINC000062716628	391561964	/nfs/dbraw/zinc/56/19/64/391561964.db2.gz	VYFKTEGSAHFGBI-UHFFFAOYSA-N	-1	0	275.260	1.882	40	0		CDABRM
CC(C)CCC[C@@H](C)NC(=O)[C@@H]1[C@@H](C(=O)[O-])[C@H]2C=C[C@@H]1O2	ZINC000225708357	391976201	/nfs/dbraw/zinc/97/62/01/391976201.db2.gz	XYPIQJJOFTYTTL-BJJPWKGXSA-N	-1	0	295.379	1.972	40	0		CDABRM
Cc1noc(C)c1S(=O)(=O)[N-]c1cc(C)ccn1	ZINC000004884279	170036168	/nfs/dbraw/zinc/03/61/68/170036168.db2.gz	SOGRXMJNACDVRV-UHFFFAOYSA-N	-1	0	267.310	1.796	40	0		CDABRM
O=C([O-])[C@@H](CO)NC(=O)Nc1ccc(Cl)c(Cl)c1	ZINC000005568188	170114677	/nfs/dbraw/zinc/11/46/77/170114677.db2.gz	YYHJTISWLXIGKZ-MRVPVSSYSA-N	-1	0	293.106	1.560	40	0		CDABRM
O=C([O-])[C@H]1[C@@H]2C=C[C@@H](O2)[C@H]1C(=O)NCc1ccccc1F	ZINC000006726770	170233302	/nfs/dbraw/zinc/23/33/02/170233302.db2.gz	TZUSAKDHNHPRTD-XQHKEYJVSA-N	-1	0	291.278	1.096	40	0		CDABRM
CCS(=O)(=O)N(C)c1ccc(CC(=O)[O-])cc1	ZINC000020227170	171092841	/nfs/dbraw/zinc/09/28/41/171092841.db2.gz	HKXBGTSISGGTRI-UHFFFAOYSA-N	-1	0	257.311	1.100	40	0		CDABRM
CC[C@@H](C)NS(=O)(=O)c1cc(C(=O)[O-])ccc1C	ZINC000020557740	171250815	/nfs/dbraw/zinc/25/08/15/171250815.db2.gz	OUZFSLWSIYQUIZ-SECBINFHSA-N	-1	0	271.338	1.770	40	0		CDABRM
Cc1cc(=O)c2cc(F)cc(F)c2n1Cc1nnn[n-]1	ZINC000040175579	174201064	/nfs/dbraw/zinc/20/10/64/174201064.db2.gz	UUFCLHNAEHAXPL-UHFFFAOYSA-N	-1	0	277.234	1.150	40	0		CDABRM
O=C([O-])[C@H]1CC(=O)N(c2cccc(N3CCCC3)c2)C1	ZINC000045958204	175389390	/nfs/dbraw/zinc/38/93/90/175389390.db2.gz	VUCZHEHFVGFXRG-NSHDSACASA-N	-1	0	274.320	1.724	40	0		CDABRM
CC(=O)N1CCC[C@@H](c2cncc(NCCC(=O)[O-])n2)C1	ZINC000072364793	176380202	/nfs/dbraw/zinc/38/02/02/176380202.db2.gz	QEEPLBAMENKEEB-LLVKDONJSA-N	-1	0	292.339	1.089	40	0		CDABRM
Cn1cnc(C(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)c1	ZINC000653328162	424430204	/nfs/dbraw/zinc/43/02/04/424430204.db2.gz	FHODRNQHSIGEKB-NWDGAFQWSA-N	-1	0	285.303	1.463	40	0		CDABRM
COc1cccc([C@H]2CC(C(=O)[O-])=Nc3nc(C)nn32)c1	ZINC000102278299	295326726	/nfs/dbraw/zinc/32/67/26/295326726.db2.gz	XRCDAYAANRXLDI-GFCCVEGCSA-N	-1	0	286.291	1.579	40	0		CDABRM
Cc1cc(O)c(C(=O)[O-])c(=O)n1CCc1ccccc1	ZINC000095094158	301367425	/nfs/dbraw/zinc/36/74/25/301367425.db2.gz	JMLLKYPQOJNZHB-UHFFFAOYSA-N	-1	0	273.288	1.803	40	0		CDABRM
Cc1nn([C@@H](C)C(=O)[O-])cc1I	ZINC000006254793	326818021	/nfs/dbraw/zinc/81/80/21/326818021.db2.gz	BMGSDMUXVZAMMN-YFKPBYRVSA-N	-1	0	280.065	1.442	40	0		CDABRM
CN1C(=O)CC[C@@H](C(=O)[O-])[C@@H]1c1cccc(F)c1	ZINC000070272341	1171654881	/nfs/dbraw/zinc/65/48/81/1171654881.db2.gz	UMLQXZLKUSJZPA-PWSUYJOCSA-N	-1	0	251.257	1.820	40	0		CDABRM
O=C([O-])[C@H]1CC[C@H](C(=O)NCCCC(F)(F)F)O1	ZINC000222763337	230398558	/nfs/dbraw/zinc/39/85/58/230398558.db2.gz	JMOGLGWDVHGOHP-RNFRBKRXSA-N	-1	0	269.219	1.077	40	0		CDABRM
O=C([O-])COc1ccc(NC(=O)C(F)(F)F)cc1	ZINC000111337708	365587420	/nfs/dbraw/zinc/58/74/20/365587420.db2.gz	ILUDFOLLMQIFPR-UHFFFAOYSA-N	-1	0	263.171	1.651	40	0		CDABRM
Nc1nnnn1N=Cc1ccc(-c2ccc(C(=O)[O-])cc2)o1	ZINC000254905436	342437188	/nfs/dbraw/zinc/43/71/88/342437188.db2.gz	LWABLWNBGLWICV-UHFFFAOYSA-N	-1	0	298.262	1.096	40	0		CDABRM
Cc1nn(C(C)(C)C(=O)[O-])cc1I	ZINC000253405378	365935879	/nfs/dbraw/zinc/93/58/79/365935879.db2.gz	SERPQHHOYOMLHR-UHFFFAOYSA-N	-1	0	294.092	1.616	40	0		CDABRM
C[C@H](O)[C@@H](C(=O)[O-])N(C)C(=O)OCc1ccccc1	ZINC000149461874	348725071	/nfs/dbraw/zinc/72/50/71/348725071.db2.gz	VTXCJGLSFIOQNL-ONGXEEELSA-N	-1	0	267.281	1.089	40	0		CDABRM
O=C([O-])[C@H]1CC[C@@H](c2nc3cnccc3c(=O)[nH]2)S1	ZINC000256053014	350909385	/nfs/dbraw/zinc/90/93/85/350909385.db2.gz	PQXQDAKKDYHYJN-DTWKUNHWSA-N	-1	0	277.305	1.752	40	0		CDABRM
COc1ccc(CNS(=O)(=O)c2c(C)noc2C)cc1	ZINC000000428640	355910805	/nfs/dbraw/zinc/91/08/05/355910805.db2.gz	YJQWEULNFQSVJS-UHFFFAOYSA-N	-1	0	296.348	1.779	40	0		CDABRM
Cc1[n-]n(-c2ccccc2)c(=O)c1C=C1N=C(C)OC1=O	ZINC000018996297	356475116	/nfs/dbraw/zinc/47/51/16/356475116.db2.gz	WVPXVMAXUAGYAT-YFBAIUBQSA-N	-1	0	283.287	1.884	40	0		CDABRM
CC(C)(C)OC(=O)NC1CN([C@@H](C(=O)[O-])c2ccco2)C1	ZINC000022014118	356596415	/nfs/dbraw/zinc/59/64/15/356596415.db2.gz	IMJUGIRZIXFUMH-LLVKDONJSA-N	-1	0	296.323	1.614	40	0		CDABRM
COc1ccccc1OCC(=O)N1CCCC[C@@H]1C(=O)[O-]	ZINC000032155371	356775584	/nfs/dbraw/zinc/77/55/84/356775584.db2.gz	BGOMSJGJRRGBGX-LLVKDONJSA-N	-1	0	293.319	1.540	40	0		CDABRM
Cc1ccc(-c2ncc(CC(=O)[O-])c(=O)[nH]2)cc1C	ZINC000049468571	357215859	/nfs/dbraw/zinc/21/58/59/357215859.db2.gz	DOKGTZQQFDTBGQ-UHFFFAOYSA-N	-1	0	258.277	1.681	40	0		CDABRM
COc1ccc(C[C@@H](C(=O)[O-])N2CCOCC2)cc1Cl	ZINC000057629083	357362795	/nfs/dbraw/zinc/36/27/95/357362795.db2.gz	JSJVFPYMDXZCIS-LBPRGKRZSA-N	-1	0	299.754	1.677	40	0		CDABRM
O=C([O-])[C@@H]1[C@H](C(=O)NCc2ccco2)[C@@H]2CC[C@H]1C2	ZINC000004035255	358560390	/nfs/dbraw/zinc/56/03/90/358560390.db2.gz	AAGKECVCOPVRLG-DMWPJOQESA-N	-1	0	263.293	1.643	40	0		CDABRM
COc1ccc([C@@H]2NC(=O)N=C(C)[C@H]2C(=O)[O-])cc1	ZINC000100265342	358824834	/nfs/dbraw/zinc/82/48/34/358824834.db2.gz	DDOJXDKILYFWEI-MNOVXSKESA-N	-1	0	262.265	1.621	40	0		CDABRM
CCCNS(=O)(=O)c1ccc(NCC)c(C(=O)[O-])c1	ZINC000217699816	359020742	/nfs/dbraw/zinc/02/07/42/359020742.db2.gz	ULXKPWORYBQLJW-UHFFFAOYSA-N	-1	0	286.353	1.505	40	0		CDABRM
O=C([O-])CSCc1nnc(Cc2ccccc2)o1	ZINC000223766564	359453858	/nfs/dbraw/zinc/45/38/58/359453858.db2.gz	SQZYHOVCSWPEMK-UHFFFAOYSA-N	-1	0	264.306	1.978	40	0		CDABRM
Cc1cc(C(=O)[O-])c(=O)n(Cc2ccccc2C)n1	ZINC000225961385	359635938	/nfs/dbraw/zinc/63/59/38/359635938.db2.gz	WHRZZDLQSMTCKX-UHFFFAOYSA-N	-1	0	258.277	1.607	40	0		CDABRM
COC(=O)/C(C)=C/C=C/C[C@H](C)[C@@H](O)CC(=O)[O-]	ZINC000514288168	360123759	/nfs/dbraw/zinc/12/37/59/360123759.db2.gz	SJGQDRGIIKTZAH-JJPKINPXSA-N	-1	0	256.298	1.524	40	0	biogenic,in-vitro	CDABRM
CS(=O)(=O)[N-]C(=O)c1ccc2c(c1)CCCCC2=O	ZINC000408474074	361241282	/nfs/dbraw/zinc/24/12/82/361241282.db2.gz	BHNYEAMKEDIJHW-UHFFFAOYSA-N	-1	0	281.333	1.285	40	0		CDABRM
CN(C)c1cc2c(cc1F)c(=O)c(C(=O)[O-])cn2C	ZINC000575415112	364797116	/nfs/dbraw/zinc/79/71/16/364797116.db2.gz	DDMCSHNRKXSFEC-UHFFFAOYSA-N	-1	0	264.256	1.442	40	0		CDABRM
O=c1[n-]n(Cc2ccccc2)cc1Br	ZINC000196415857	367297685	/nfs/dbraw/zinc/29/76/85/367297685.db2.gz	QBRFYQQCBKJYLW-UHFFFAOYSA-N	-1	0	253.099	1.987	40	0		CDABRM
O=C([O-])[C@@H]1C[C@@H]2c3ccccc3N[C@H]2[C@H]2CCC(=O)N21	ZINC000003847261	304145666	/nfs/dbraw/zinc/14/56/66/304145666.db2.gz	ZOJBHIDKMQCKNB-SGESHTKJSA-N	-1	0	272.304	1.412	40	0		CDABRM
CC(=O)c1cc(C(=O)[O-])c(=O)n(-c2ccc(C)cc2C)n1	ZINC000225965898	189768119	/nfs/dbraw/zinc/76/81/19/189768119.db2.gz	GDSCIEYSTCURED-UHFFFAOYSA-N	-1	0	286.287	1.750	40	0		CDABRM
CCn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)[O-]	ZINC000036863982	412821695	/nfs/dbraw/zinc/82/16/95/412821695.db2.gz	BBDSEBDXLCFJFJ-UHFFFAOYSA-N	-1	0	286.353	1.381	40	0		CDABRM
CC(C)(C)OC(=O)N[C@@H]1Cc2[nH]nc(C(=O)[O-])c2C1	ZINC000217917527	375762267	/nfs/dbraw/zinc/76/22/67/375762267.db2.gz	ZBRBYNTZZKSBOO-LURJTMIESA-N	-1	0	267.285	1.100	40	0		CDABRM
O=C([O-])c1ccc(=O)n([C@H](CO)c2ccccc2)c1	ZINC000257262485	190022747	/nfs/dbraw/zinc/02/27/47/190022747.db2.gz	LLOWFZBFLIZBET-GFCCVEGCSA-N	-1	0	259.261	1.128	40	0		CDABRM
O=C([O-])[C@H]1[C@H]2C=C[C@]3(CN(C4CCCCC4)C(=O)[C@H]13)O2	ZINC000000091195	304211694	/nfs/dbraw/zinc/21/16/94/304211694.db2.gz	SDOCVRCDRWCALS-OXJKWZBOSA-N	-1	0	277.320	1.186	40	0		CDABRM
O=C([O-])c1ccc([C@@H]2NC(=O)N[C@H]3OCCC[C@@H]23)cc1	ZINC000257232213	304250846	/nfs/dbraw/zinc/25/08/46/304250846.db2.gz	GJWAXSALJQZVQA-SRVKXCTJSA-N	-1	0	276.292	1.491	40	0		CDABRM
CN(C)C(=O)COc1cc(Cl)sc1C(=O)[O-]	ZINC000096510921	390530973	/nfs/dbraw/zinc/53/09/73/390530973.db2.gz	QIYZCWARVSHLKL-UHFFFAOYSA-N	-1	0	263.702	1.567	40	0		CDABRM
Cc1nc2c(c(=O)n1Cc1ccc(C(=O)[O-])cc1)CCC2	ZINC000096531066	390540759	/nfs/dbraw/zinc/54/07/59/390540759.db2.gz	YTJOGHWXYBNJHQ-UHFFFAOYSA-N	-1	0	284.315	1.787	40	0		CDABRM
O=C([O-])[C@H]1COCCN1C(=O)c1cccc2ccncc21	ZINC000647733533	391009212	/nfs/dbraw/zinc/00/92/12/391009212.db2.gz	JWLOZBSKNRFOKK-CYBMUJFWSA-N	-1	0	286.287	1.160	40	0		CDABRM
CC[C@H](NC(=O)c1cc(F)ccc1OC)C(=O)[O-]	ZINC000237048477	131000284	/nfs/dbraw/zinc/00/02/84/131000284.db2.gz	VDKWEHMLWKNCRT-VIFPVBQESA-N	-1	0	255.245	1.427	40	0		CDABRM
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(C(F)F)cc1	ZINC000262297194	131208882	/nfs/dbraw/zinc/20/88/82/131208882.db2.gz	JJACCAPONIKPNM-ZETCQYMHSA-N	-1	0	293.291	1.718	40	0		CDABRM
COc1ccc(CN2C[C@H](C(=O)[O-])CCC2=O)c(OC)c1	ZINC000109555129	392766774	/nfs/dbraw/zinc/76/67/74/392766774.db2.gz	BIGRFHXGKLSPHR-LLVKDONJSA-N	-1	0	293.319	1.527	40	0		CDABRM
O=C([O-])C1=C(c2ccc(Br)cc2)COC1=O	ZINC000242425534	393064680	/nfs/dbraw/zinc/06/46/80/393064680.db2.gz	BNTMGFAGAUVSLA-UHFFFAOYSA-N	-1	0	283.077	1.844	40	0		CDABRM
Cc1noc([C@@H](C)NC(=O)CC(C)C)c1C(=O)[O-]	ZINC000096297028	393174791	/nfs/dbraw/zinc/17/47/91/393174791.db2.gz	SGKILNLGTLNFOT-MRVPVSSYSA-N	-1	0	254.286	1.905	40	0	biogenic,in-vitro	CDABRM
CCC(=O)NC(=S)Nc1ccccc1C(=O)[O-]	ZINC000005855667	170147143	/nfs/dbraw/zinc/14/71/43/170147143.db2.gz	SYMUHOMQNOMWTR-UHFFFAOYSA-N	-1	0	252.295	1.608	40	0		CDABRM
Cc1c(C(=O)Nc2ccccc2)cnc2nc(C(=O)[O-])nn21	ZINC000017024202	170722621	/nfs/dbraw/zinc/72/26/21/170722621.db2.gz	CYYMCGRKUQNDOH-UHFFFAOYSA-N	-1	0	297.274	1.383	40	0		CDABRM
CCn1c(C)ccc(-c2noc(CCCC(=O)[O-])n2)c1=O	ZINC000022121597	171353914	/nfs/dbraw/zinc/35/39/14/171353914.db2.gz	KTOAVHKEDSALEG-UHFFFAOYSA-N	-1	0	291.307	1.634	40	0		CDABRM
CCOC(=O)C1=NN(c2ccc(CC)cc2)[C@H](C(=O)[O-])C1	ZINC000071979415	176307714	/nfs/dbraw/zinc/30/77/14/176307714.db2.gz	ZDDUISICQHOYNZ-ZDUSSCGKSA-N	-1	0	290.319	1.831	40	0		CDABRM
CCC[C@@H](C)c1cc(=NC(=O)[C@H](C)C(=O)[O-])[nH][nH]1	ZINC000574572505	295020772	/nfs/dbraw/zinc/02/07/72/295020772.db2.gz	XUCGQNYRESTRDQ-SFYZADRCSA-N	-1	0	253.302	1.394	40	0		CDABRM
Cc1cc(N(C)C)nc([C@]2(C)CCCN2CC(=O)[O-])n1	ZINC000072388349	301329519	/nfs/dbraw/zinc/32/95/19/301329519.db2.gz	APRRKGSKVJDWMQ-AWEZNQCLSA-N	-1	0	278.356	1.247	40	0		CDABRM
O=C([O-])c1cn(CC(F)F)nc1Br	ZINC000408717839	327772542	/nfs/dbraw/zinc/77/25/42/327772542.db2.gz	XFIBCUUUDBATGD-UHFFFAOYSA-N	-1	0	255.018	1.609	40	0		CDABRM
N=c1[n-]nc(-c2ccn(-c3ccccc3N)n2)s1	ZINC000408717779	327772697	/nfs/dbraw/zinc/77/26/97/327772697.db2.gz	UBXLSGCNNWSHKK-UHFFFAOYSA-N	-1	0	258.310	1.386	40	0		CDABRM
COc1c(Br)cc(C=O)cc1CC(=O)[O-]	ZINC000225721887	333182270	/nfs/dbraw/zinc/18/22/70/333182270.db2.gz	XBXIJMCVIISPIG-UHFFFAOYSA-N	-1	0	273.082	1.897	40	0		CDABRM
O=C([O-])[C@]1(NC(=O)[C@@H]2CCCCO2)CCc2ccccc21	ZINC000677849653	482806644	/nfs/dbraw/zinc/80/66/44/482806644.db2.gz	JXUNPSWMUCIURQ-BBRMVZONSA-N	-1	0	289.331	1.598	40	0		CDABRM
O=C([O-])Cn1cc(NC(=O)[C@@H]2CCc3ccccc3C2)cn1	ZINC000318690028	483309474	/nfs/dbraw/zinc/30/94/74/483309474.db2.gz	OVPOUGQBIQGTBZ-CYBMUJFWSA-N	-1	0	299.330	1.711	40	0		CDABRM
O=C([O-])Cn1nnc(Cc2ccc(C(F)(F)F)cc2)n1	ZINC000002523081	1167778437	/nfs/dbraw/zinc/77/84/37/1167778437.db2.gz	KCDDZANRRSEDDR-UHFFFAOYSA-N	-1	0	286.213	1.367	40	0		CDABRM
Cc1ccc(S(=O)(=O)N(C)CCC(=O)[O-])c(F)c1F	ZINC000629299401	361820342	/nfs/dbraw/zinc/82/03/42/361820342.db2.gz	QXYRZCZKLUHDEM-UHFFFAOYSA-N	-1	0	293.291	1.368	40	0		CDABRM
Cc1noc(C)c1C[C@H](C)C(=O)N1CCCC[C@H]1C(=O)[O-]	ZINC000136535493	539097104	/nfs/dbraw/zinc/09/71/04/539097104.db2.gz	HCXPBHXJTJJOIT-ZANVPECISA-N	-1	0	294.351	1.936	40	0		CDABRM
CC(C)C[C@H](C(=O)[O-])[NH+]1CCC(c2n[nH]c(=O)[n-]2)CC1	ZINC000629488407	362095745	/nfs/dbraw/zinc/09/57/45/362095745.db2.gz	LXYIGZBCCCYUNB-SNVBAGLBSA-N	-1	0	282.344	1.189	40	0		CDABRM
C[C@H](Cn1cc(C(=O)[O-])cn1)C(=O)OC(C)(C)C	ZINC000408716151	365727866	/nfs/dbraw/zinc/72/78/66/365727866.db2.gz	JMCBYVOZDQLBDF-MRVPVSSYSA-N	-1	0	254.286	1.559	40	0		CDABRM
Cc1ocnc1C(=O)N(CCC(=O)[O-])C[C@H]1CCCO1	ZINC000537402466	282359724	/nfs/dbraw/zinc/35/97/24/282359724.db2.gz	KSGPGAUFWRKIHU-SNVBAGLBSA-N	-1	0	282.296	1.079	40	0		CDABRM
O=C([O-])[C@H](CNC(=O)[C@H]1CCCCO1)CC1CC1	ZINC000405442307	345449711	/nfs/dbraw/zinc/44/97/11/345449711.db2.gz	VVXGVOUZTJWQBE-WDEREUQCSA-N	-1	0	255.314	1.173	40	0		CDABRM
CC(C)(C)c1ccc([C@@H]2CNC(=O)[C@@H]2C(=O)[O-])cc1	ZINC000256055018	350909648	/nfs/dbraw/zinc/90/96/48/350909648.db2.gz	YVBIPAMGEIVXOI-NWDGAFQWSA-N	-1	0	261.321	1.898	40	0		CDABRM
CC[C@](S[C@H](C)C(N)=O)(C(=O)[O-])c1ccccc1	ZINC000001752261	355950627	/nfs/dbraw/zinc/95/06/27/355950627.db2.gz	JVIWVXBCVDQBOQ-NOZJJQNGSA-N	-1	0	267.350	1.984	40	0		CDABRM
CC[C@@H](C)NC(=O)COc1ccccc1C(=O)[O-]	ZINC000013034426	356335840	/nfs/dbraw/zinc/33/58/40/356335840.db2.gz	MJIBYVJEGOWNFN-SECBINFHSA-N	-1	0	251.282	1.678	40	0		CDABRM
COCCc1nc(N)cc(Nc2ccccc2C(=O)[O-])n1	ZINC000049467787	357216257	/nfs/dbraw/zinc/21/62/57/357216257.db2.gz	VXOMXHVCRUEKJU-UHFFFAOYSA-N	-1	0	288.307	1.690	40	0		CDABRM
COc1ccc(OCc2nc(C(=O)[O-])cc(=O)[nH]2)cc1	ZINC000049470154	357217700	/nfs/dbraw/zinc/21/77/00/357217700.db2.gz	SQTGNRNTJZQCSC-UHFFFAOYSA-N	-1	0	276.248	1.056	40	0		CDABRM
CC(=O)c1cc(C(=O)[O-])c(=O)n(-c2ccccc2Cl)n1	ZINC000225966097	359636306	/nfs/dbraw/zinc/63/63/06/359636306.db2.gz	OHHRRKZAJQEMEF-UHFFFAOYSA-N	-1	0	292.678	1.787	40	0		CDABRM
O=C([N-]S(=O)(=O)[C@@H]1C[C@@H]2CC[C@H]1C2)c1ccsc1	ZINC000408493316	361382425	/nfs/dbraw/zinc/38/24/25/361382425.db2.gz	GKTMSRIKFFCOBQ-WCABBAIRSA-N	-1	0	285.390	1.996	40	0		CDABRM
O=C([O-])[C@@H]1[C@@H](C(=O)NC2CCCCC2)[C@H]2C=C[C@@H]1O2	ZINC000006361371	304155210	/nfs/dbraw/zinc/15/52/10/304155210.db2.gz	GZKYSVJIFDTBCI-RHYQMDGZSA-N	-1	0	265.309	1.090	40	0		CDABRM
CC(C)OCCS(=O)(=O)[N-]c1cccc2c[nH]nc21	ZINC000080782797	374987823	/nfs/dbraw/zinc/98/78/23/374987823.db2.gz	NOTFXXXRGZHMTQ-UHFFFAOYSA-N	-1	0	283.353	1.730	40	0		CDABRM
O=C([O-])[C@H](NC(=O)Cc1ccccc1)[C@@H](O)c1ccccc1	ZINC000003040454	375518784	/nfs/dbraw/zinc/51/87/84/375518784.db2.gz	QJJZGNCENCTDFJ-CVEARBPZSA-N	-1	0	299.326	1.532	40	0		CDABRM
CN(C)c1ccc(CCn2cccc(C(=O)[O-])c2=O)cc1	ZINC000257232157	190016790	/nfs/dbraw/zinc/01/67/90/190016790.db2.gz	GJRAWBRZZZJPBP-UHFFFAOYSA-N	-1	0	286.331	1.855	40	0		CDABRM
O=C([O-])[C@H]1CC[C@]2(C1)SCCCS2(=O)=O	ZINC000217906537	375759237	/nfs/dbraw/zinc/75/92/37/375759237.db2.gz	BVKGLKLPFMEBSW-CBAPKCEASA-N	-1	0	250.341	1.119	40	0		CDABRM
CCN1CCN(c2c(N)cc(C(=O)[O-])cc2Cl)CC1	ZINC000070462679	377034562	/nfs/dbraw/zinc/03/45/62/377034562.db2.gz	CXDROTYNOXOYIW-UHFFFAOYSA-N	-1	0	283.759	1.762	40	0		CDABRM
O=C([O-])CCC[NH2+]Cc1cccc(OCC(=O)[O-])c1	ZINC000062717098	256723646	/nfs/dbraw/zinc/72/36/46/256723646.db2.gz	GFRLGCKZWKOKJB-UHFFFAOYSA-N	-1	0	267.281	1.104	40	0		CDABRM
C/C=C\CC1(CCC(C)C)C(=O)NC(=O)NC1=O	ZINC000005080869	390159457	/nfs/dbraw/zinc/15/94/57/390159457.db2.gz	OHSYCNXZAPCJLI-PLNGDYQASA-N	-1	0	252.314	1.741	40	0		CDABRM
Cc1ccc(-c2cc(=NC(=O)[C@@H](C)C(=O)[O-])[nH][nH]2)s1	ZINC000566222644	390530997	/nfs/dbraw/zinc/53/09/97/390530997.db2.gz	FJUWCEWQJNTQOF-SSDOTTSWSA-N	-1	0	279.321	1.528	40	0		CDABRM
O=C([O-])c1cnc(N2CCCC2)nc1-c1ccncc1	ZINC000096517133	390532074	/nfs/dbraw/zinc/53/20/74/390532074.db2.gz	JCTHCRHEFNWBAI-UHFFFAOYSA-N	-1	0	270.292	1.837	40	0		CDABRM
O=C([O-])c1ccc(Cn2cnc3c(c2=O)CCC3)cc1	ZINC000096531054	390540754	/nfs/dbraw/zinc/54/07/54/390540754.db2.gz	HXUWZEBXVWMTOB-UHFFFAOYSA-N	-1	0	270.288	1.479	40	0		CDABRM
COc1ccc([C@H]2Cn3ncc(C(=O)[O-])c3N2)cc1	ZINC000096530303	390541734	/nfs/dbraw/zinc/54/17/34/390541734.db2.gz	KYSWGGXSBZPEEW-LLVKDONJSA-N	-1	0	259.265	1.757	40	0		CDABRM
C[C@@]1(C(=O)[O-])CCN(C(=O)c2cccc3cn[nH]c32)C1	ZINC000237654138	391467797	/nfs/dbraw/zinc/46/77/97/391467797.db2.gz	CUIVWOXHOTWQIM-CQSZACIVSA-N	-1	0	273.292	1.500	40	0		CDABRM
O=C([O-])Cc1nc(C2=Cc3ccccc3OC2)no1	ZINC000062716593	391562116	/nfs/dbraw/zinc/56/21/16/391562116.db2.gz	ZCYRKRMIYUYGNA-UHFFFAOYSA-N	-1	0	258.233	1.630	40	0		CDABRM
O=C([O-])[C@@H]1Cc2[nH]cnc2[C@H](c2ccc(F)cc2F)N1	ZINC000005066889	391722741	/nfs/dbraw/zinc/72/27/41/391722741.db2.gz	ULACLSPXYNHYDS-QWRGUYRKSA-N	-1	0	279.246	1.376	40	0		CDABRM
COc1nc(C)cc(N[C@@H](Cc2ccccc2)C(=O)[O-])n1	ZINC000257639413	140336460	/nfs/dbraw/zinc/33/64/60/140336460.db2.gz	ATYSXRPNFCABQA-LBPRGKRZSA-N	-1	0	287.319	1.901	40	0		CDABRM
COC(=O)C1=C([O-])c2c(C)c(C)sc2N(C)C(=O)C1	ZINC000001752830	169754969	/nfs/dbraw/zinc/75/49/69/169754969.db2.gz	HHODKKGHCMWNKK-MRVPVSSYSA-N	-1	0	281.333	1.703	40	0		CDABRM
Cc1ccc(NC(=O)[C@@H]2[C@@H](C(=O)[O-])[C@H]3C=C[C@@H]2O3)c(C)c1	ZINC000005730446	170134234	/nfs/dbraw/zinc/13/42/34/170134234.db2.gz	ZVVJKZOQIXYVMF-CRWXNKLISA-N	-1	0	287.315	1.896	40	0		CDABRM
CS(=O)(=O)[N-]c1nnc(-c2ccccc2)s1	ZINC000010150876	170398400	/nfs/dbraw/zinc/39/84/00/170398400.db2.gz	LUJJDIWYJGVKSK-UHFFFAOYSA-N	-1	0	255.324	1.577	40	0		CDABRM
Cc1nc(C(=O)N2CCC(CC(=O)[O-])CC2)co1	ZINC000019746220	170852161	/nfs/dbraw/zinc/85/21/61/170852161.db2.gz	DIOZODKNAJEFLX-UHFFFAOYSA-N	-1	0	252.270	1.310	40	0		CDABRM
COc1ccc(-c2ncc(CC(=O)[O-])c(=O)[nH]2)cc1	ZINC000022123978	171353697	/nfs/dbraw/zinc/35/36/97/171353697.db2.gz	LPQLBADWYAYIFA-UHFFFAOYSA-N	-1	0	260.249	1.073	40	0		CDABRM
CCCCSC(=S)[N-][C@@]1(C)CCS(=O)(=O)C1	ZINC000040167660	174198956	/nfs/dbraw/zinc/19/89/56/174198956.db2.gz	FUSXCPFOUFGNCI-JTQLQIEISA-N	-1	0	281.468	1.971	40	0		CDABRM
COc1cccc(-c2cc(C(=O)[O-])cc(=O)n2C)c1	ZINC000071585070	176210519	/nfs/dbraw/zinc/21/05/19/176210519.db2.gz	RAABGRQAAHWZDI-UHFFFAOYSA-N	-1	0	259.261	1.759	40	0		CDABRM
CCOC(=O)C1=NN(c2ccc(C)cc2)[C@](C)(C(=O)[O-])C1	ZINC000071979446	176307816	/nfs/dbraw/zinc/30/78/16/176307816.db2.gz	JGNOKNJYYMCEKE-HNNXBMFYSA-N	-1	0	290.319	1.968	40	0		CDABRM
CCn1nc(C)c(S(=O)(=O)[N-]c2cnn(C)c2)c1C	ZINC000072239076	176347130	/nfs/dbraw/zinc/34/71/30/176347130.db2.gz	GGGDZYZVHWSVBN-UHFFFAOYSA-N	-1	0	283.357	1.054	40	0		CDABRM
CC(C)C[C@@H](C(=O)OC(C)(C)C)N1C[C@H](C(=O)[O-])CC1=O	ZINC001772714827	1159456750	/nfs/dbraw/zinc/45/67/50/1159456750.db2.gz	ZBYXJGFJFIROME-MNOVXSKESA-N	-1	0	299.367	1.676	40	0		CDABRM
O=C([O-])c1ccccc1OCCn1nnc(C2CC2)n1	ZINC000818702602	836731162	/nfs/dbraw/zinc/73/11/62/836731162.db2.gz	CNDZMAKEGAVCTN-UHFFFAOYSA-N	-1	0	274.280	1.328	40	0		CDABRM
CC(C)(C)OC(=O)N1CC(C)(OCCC(=O)[O-])C1	ZINC000095943608	185037512	/nfs/dbraw/zinc/03/75/12/185037512.db2.gz	XVHHYIQBYHOTJY-UHFFFAOYSA-N	-1	0	259.302	1.487	40	0		CDABRM
COc1ccc(C2=C(C(=O)[O-])C(=O)OC2)cc1OC	ZINC000140978011	348724888	/nfs/dbraw/zinc/72/48/88/348724888.db2.gz	DMLSDGMPSZZKBO-UHFFFAOYSA-N	-1	0	264.233	1.099	40	0		CDABRM
O=C1NC(=O)/C(=C\c2cc(Cl)cc(Cl)c2[O-])N1	ZINC000136341046	348742228	/nfs/dbraw/zinc/74/22/28/348742228.db2.gz	BWQDXRKUHSFDDR-FARCUNLSSA-N	-1	0	273.075	1.879	40	0		CDABRM
COC(=O)c1ccc(NC=C2SC([O-])=NC2=O)cc1	ZINC000036636140	356876108	/nfs/dbraw/zinc/87/61/08/356876108.db2.gz	BABJNXCBZUIDJP-TWGQIWQCSA-N	-1	0	278.289	1.710	40	0		CDABRM
COc1ccc(OC)c(C[C@@H](C(=O)[O-])N2CCOCC2)c1	ZINC000041484893	357037779	/nfs/dbraw/zinc/03/77/79/357037779.db2.gz	GJGWHVVZECHAHB-ZDUSSCGKSA-N	-1	0	295.335	1.032	40	0		CDABRM
Cc1nc(-c2cccc(F)c2)[nH]c(=O)c1CC(=O)[O-]	ZINC000041084638	357021277	/nfs/dbraw/zinc/02/12/77/357021277.db2.gz	WPNAEXRCBNSYGR-UHFFFAOYSA-N	-1	0	262.240	1.512	40	0		CDABRM
CCC[C@@H](NS(=O)(=O)c1ccc(CC)s1)C(=O)[O-]	ZINC000042520852	357070878	/nfs/dbraw/zinc/07/08/78/357070878.db2.gz	WVQUFXIXHQMQOK-SECBINFHSA-N	-1	0	291.394	1.842	40	0		CDABRM
O=C([O-])CNC(=O)[C@H]1CCCC[C@@H]1C(F)(F)F	ZINC000134434641	304068978	/nfs/dbraw/zinc/06/89/78/304068978.db2.gz	RPXHKMVKRJKFIF-BQBZGAKWSA-N	-1	0	253.220	1.556	40	0		CDABRM
COc1ccc(Cc2ncc(C(=O)[O-])c(=O)[nH]2)cc1Cl	ZINC000225009712	359544020	/nfs/dbraw/zinc/54/40/20/359544020.db2.gz	DVUBQWMSJMXXMH-UHFFFAOYSA-N	-1	0	294.694	1.721	40	0		CDABRM
Cc1cc(F)cc(S(=O)(=O)[N-]C(=O)C2(C)CC2)c1	ZINC000123792992	360754921	/nfs/dbraw/zinc/75/49/21/360754921.db2.gz	DLYODBVVYZRMHM-UHFFFAOYSA-N	-1	0	271.313	1.739	40	0		CDABRM
CN(C)c1ncc(/C=C/c2ncc(C(=O)[O-])s2)n1C	ZINC000436473214	361518553	/nfs/dbraw/zinc/51/85/53/361518553.db2.gz	DGJYUPACGYSCGK-SNAWJCMRSA-N	-1	0	278.337	1.811	40	0		CDABRM
CSCC[C@H]([NH2+]Cc1ccc(C(=O)[O-])cc1)C(=O)[O-]	ZINC000062718083	364836233	/nfs/dbraw/zinc/83/62/33/364836233.db2.gz	NHXUVNWQXWAZGY-NSHDSACASA-N	-1	0	283.349	1.681	40	0		CDABRM
O=C([O-])[C@@H]1CCc2nc(-c3ccccc3)[nH]c(=O)c2C1	ZINC000212888012	304129317	/nfs/dbraw/zinc/12/93/17/304129317.db2.gz	OUYSUHCTDFAIIX-SNVBAGLBSA-N	-1	0	270.288	1.626	40	0		CDABRM
CC(=O)[N-]S(=O)(=O)c1ccc(-c2ccc(CO)o2)cc1	ZINC000226302069	189771669	/nfs/dbraw/zinc/77/16/69/189771669.db2.gz	CSBMUTVYMIXKPI-UHFFFAOYSA-N	-1	0	295.316	1.264	40	0		CDABRM
CC1(C)C(=O)NCCN1Cc1ccc(C(=O)[O-])c(Cl)c1	ZINC000565102339	370352240	/nfs/dbraw/zinc/35/22/40/370352240.db2.gz	DKCVBBUFTDOYPM-UHFFFAOYSA-N	-1	0	296.754	1.749	40	0		CDABRM
Cc1ccc(NC(=O)CCc2cnn(C)c2)cc1C(=O)[O-]	ZINC000225462142	374464572	/nfs/dbraw/zinc/46/45/72/374464572.db2.gz	PQYYLGVJWAZHLS-UHFFFAOYSA-N	-1	0	287.319	1.998	40	0		CDABRM
COc1cnc([N-]S(=O)(=O)c2ccccc2F)nc1	ZINC000225632913	375173623	/nfs/dbraw/zinc/17/36/23/375173623.db2.gz	DNFMEJCMIKUYPR-UHFFFAOYSA-N	-1	0	283.284	1.425	40	0		CDABRM
O=C([O-])C[C@@H](CC(=O)N1CCOCC1)c1cccs1	ZINC000057591885	375536852	/nfs/dbraw/zinc/53/68/52/375536852.db2.gz	QAMNWKGNDKSDOH-SNVBAGLBSA-N	-1	0	283.349	1.555	40	0		CDABRM
O=C([O-])c1ccccc1CNc1cnn(CCO)c1	ZINC000256054628	190005717	/nfs/dbraw/zinc/00/57/17/190005717.db2.gz	XCLOSTXEJKMUMU-UHFFFAOYSA-N	-1	0	261.281	1.186	40	0		CDABRM
O=S1(=O)C=C([O-])c2ccccc2N1CC1CC1	ZINC000096517023	378414676	/nfs/dbraw/zinc/41/46/76/378414676.db2.gz	LRWQVSRFWFCMNK-UHFFFAOYSA-N	-1	0	251.307	1.429	40	0		CDABRM
COc1ccc([C@@H](C)N2C[C@H](C(=O)[O-])CC2=O)cc1	ZINC000049851449	184564843	/nfs/dbraw/zinc/56/48/43/184564843.db2.gz	JBOIQIRJYOXYDQ-MWLCHTKSSA-N	-1	0	263.293	1.689	40	0		CDABRM
O=C([O-])c1cnc(N2CCc3ccccc3C2)[nH]c1=O	ZINC000217674168	304277796	/nfs/dbraw/zinc/27/77/96/304277796.db2.gz	RWXFJOJBXRHSNY-UHFFFAOYSA-N	-1	0	271.276	1.031	40	0		CDABRM
Cc1nc(-c2cc(F)cc(F)c2)cc(=O)n1CC(=O)[O-]	ZINC000096531042	390540833	/nfs/dbraw/zinc/54/08/33/390540833.db2.gz	SVVCMENHSHEERC-UHFFFAOYSA-N	-1	0	280.230	1.582	40	0		CDABRM
O=C([O-])c1cccc(Cn2cnc3c(c2=O)CCCC3)c1	ZINC000096531052	390540966	/nfs/dbraw/zinc/54/09/66/390540966.db2.gz	YTHLXTZUOBCABM-UHFFFAOYSA-N	-1	0	284.315	1.869	40	0		CDABRM
CS(=O)(=O)[C@@H]1[C@@H](C(=O)[O-])[C@H]1c1ccc(F)cc1	ZINC000242620232	391943597	/nfs/dbraw/zinc/94/35/97/391943597.db2.gz	PZNYIXZVPPJWHX-UTLUCORTSA-N	-1	0	258.270	1.037	40	0		CDABRM
COc1cccc(C[NH2+]CCCC(=O)[O-])c1OCC(=O)[O-]	ZINC000062716960	392802319	/nfs/dbraw/zinc/80/23/19/392802319.db2.gz	DCFRIWPBHUZPMZ-UHFFFAOYSA-N	-1	0	297.307	1.113	40	0		CDABRM
CCc1ccccc1C(=O)NCC1(C(=O)[O-])CCOCC1	ZINC000165922123	139926961	/nfs/dbraw/zinc/92/69/61/139926961.db2.gz	KTLUPTARNZGWEF-UHFFFAOYSA-N	-1	0	291.347	1.860	40	0		CDABRM
O=C([O-])C1(C(=O)NCc2cc(F)cc3c2OCOC3)CC1	ZINC000357716123	157798832	/nfs/dbraw/zinc/79/88/32/157798832.db2.gz	OZAKYZPTNKNZGN-UHFFFAOYSA-N	-1	0	295.266	1.173	40	0		CDABRM
O=C([O-])[C@H](NC(=O)c1ccccc1)[C@H](O)c1ccccc1	ZINC000001706103	169746226	/nfs/dbraw/zinc/74/62/26/169746226.db2.gz	BDKNRYXHGHTRCI-ZIAGYGMSSA-N	-1	0	285.299	1.603	40	0		CDABRM
CN(C)c1ccc(-c2nnc(SCC(=O)[O-])n2C)cc1	ZINC000004921856	170041129	/nfs/dbraw/zinc/04/11/29/170041129.db2.gz	CZHMXYXHHRTCNH-UHFFFAOYSA-N	-1	0	292.364	1.725	40	0		CDABRM
COc1cccc(NC(=O)[C@@H]2[C@@H](C(=O)[O-])[C@H]3C=C[C@@H]2O3)c1	ZINC000006556103	170212540	/nfs/dbraw/zinc/21/25/40/170212540.db2.gz	UDBOPXKFAIRNQR-RNJOBUHISA-N	-1	0	289.287	1.288	40	0		CDABRM
COc1ccc(S(=O)(=O)NC(=S)[S-])cc1	ZINC000008648882	170343915	/nfs/dbraw/zinc/34/39/15/170343915.db2.gz	PUWZKMNLBPPLCC-UHFFFAOYSA-N	-1	0	263.365	1.188	40	0		CDABRM
Cc1ccc(C(=O)[O-])c(OCC(=O)NC(C)C)c1	ZINC000013034315	170529521	/nfs/dbraw/zinc/52/95/21/170529521.db2.gz	OTQPRRJKUNLZMF-UHFFFAOYSA-N	-1	0	251.282	1.597	40	0		CDABRM
O=C(Nc1cnc2nc[n-]n2c1=O)c1ccc(Cl)cc1	ZINC000014291655	170631407	/nfs/dbraw/zinc/63/14/07/170631407.db2.gz	KOKLPWAPNSKASL-UHFFFAOYSA-N	-1	0	289.682	1.323	40	0		CDABRM
CC[C@H](C)NS(=O)(=O)c1cc(C(=O)[O-])ccc1C	ZINC000020557742	171250799	/nfs/dbraw/zinc/25/07/99/171250799.db2.gz	OUZFSLWSIYQUIZ-VIFPVBQESA-N	-1	0	271.338	1.770	40	0		CDABRM
O=C([O-])Cn1cc(NC(=O)Cc2ccc3c(c2)CCC3)cn1	ZINC000314633391	414035069	/nfs/dbraw/zinc/03/50/69/414035069.db2.gz	YRZZPJMINLAXMG-UHFFFAOYSA-N	-1	0	299.330	1.638	40	0		CDABRM
CC(=O)Nc1ccc(Cc2noc(CCC(=O)[O-])n2)cc1	ZINC000040407643	174254130	/nfs/dbraw/zinc/25/41/30/174254130.db2.gz	RLVBYDFAPLKPNJ-UHFFFAOYSA-N	-1	0	289.291	1.636	40	0		CDABRM
Cc1nn(C)c2cnn(Cc3ccc(C(=O)[O-])cc3)c12	ZINC000041123442	174488119	/nfs/dbraw/zinc/48/81/19/174488119.db2.gz	PLJIDUMNOZQNGG-UHFFFAOYSA-N	-1	0	270.292	1.825	40	0		CDABRM
COc1c(O)c(CC(=O)[O-])cc2ccc(=O)oc21	ZINC000077285310	177248349	/nfs/dbraw/zinc/24/83/49/177248349.db2.gz	GTNVEZOXYSMNTC-UHFFFAOYSA-N	-1	0	250.206	1.134	40	0	in-vitro	CDABRM
CN1C(=S)S[C@H](Cc2ccccc2C(=O)[O-])[C@@H]1O	ZINC000225392369	289860404	/nfs/dbraw/zinc/86/04/04/289860404.db2.gz	ILEONQHFMCXRTP-ZJUUUORDSA-N	-1	0	283.374	1.578	40	0		CDABRM
CC(=O)O[C@H](C(=O)N[C@H](C(=O)[O-])C(C)C)c1ccccc1	ZINC000001707418	278221571	/nfs/dbraw/zinc/22/15/71/278221571.db2.gz	WBASBTDYIIRCIK-STQMWFEESA-N	-1	0	293.319	1.516	40	0		CDABRM
COc1ccc([C@@H]2OC(=O)C[C@@H]2C(=O)[O-])c(OC)c1	ZINC000085394103	295228641	/nfs/dbraw/zinc/22/86/41/295228641.db2.gz	CDSGNMQCRQLZCR-CABZTGNLSA-N	-1	0	266.249	1.393	40	0		CDABRM
COc1ccc([C@H]2NC(=O)N=C(C)[C@H]2C(=O)[O-])cc1	ZINC000100265339	295250685	/nfs/dbraw/zinc/25/06/85/295250685.db2.gz	DDOJXDKILYFWEI-GHMZBOCLSA-N	-1	0	262.265	1.621	40	0		CDABRM
Cc1cc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])no1	ZINC000003906526	301358504	/nfs/dbraw/zinc/35/85/04/301358504.db2.gz	LFMZHKZTQKZRET-MKHNBGRSSA-N	-1	0	262.265	1.444	40	0		CDABRM
Cc1ccc(NC(=O)[C@H]2[C@H]3C=C[C@H](O3)[C@@H]2C(=O)[O-])c(C)c1	ZINC000004143150	301644095	/nfs/dbraw/zinc/64/40/95/301644095.db2.gz	ZVVJKZOQIXYVMF-RFGFWPKPSA-N	-1	0	287.315	1.896	40	0		CDABRM
Cc1cnc(C)c([N-]S(=O)(=O)c2ccc(N)cc2)n1	ZINC000001683292	302339646	/nfs/dbraw/zinc/33/96/46/302339646.db2.gz	FDHMEYQRNNUMOT-UHFFFAOYSA-N	-1	0	278.337	1.476	40	0		CDABRM
O=c1c2cnc3ncnn3c2ccn1-c1ccccc1[S-]	ZINC000040175420	304816727	/nfs/dbraw/zinc/81/67/27/304816727.db2.gz	HFNFEMDCXBZGLQ-UHFFFAOYSA-N	-1	0	295.327	1.717	40	0		CDABRM
CCCc1cnc(NC(=O)c2cnc(C(=O)[O-])cn2)s1	ZINC000263432950	535444526	/nfs/dbraw/zinc/44/45/26/535444526.db2.gz	NXQYMHRRVLFMQI-UHFFFAOYSA-N	-1	0	292.320	1.836	40	0		CDABRM
O=C([O-])[C@@H]1CCCN1C(=O)Cc1cc(F)ccc1F	ZINC000082574711	178115008	/nfs/dbraw/zinc/11/50/08/178115008.db2.gz	NWECKAGQELUQDH-NSHDSACASA-N	-1	0	269.247	1.583	40	0		CDABRM
Cc1nn([C@@H](C)C(=O)[O-])c(C)c1I	ZINC000072339322	365646551	/nfs/dbraw/zinc/64/65/51/365646551.db2.gz	QYLVULGPWMGYBE-LURJTMIESA-N	-1	0	294.092	1.750	40	0		CDABRM
CC(C)(C)OC(=O)[C@@H](N)Cc1ccc(CC(=O)[O-])cc1	ZINC000204928183	350023685	/nfs/dbraw/zinc/02/36/85/350023685.db2.gz	SMALXADJFIGVRY-LBPRGKRZSA-N	-1	0	279.336	1.525	40	0		CDABRM
Cc1nc([N-]S(=O)(=O)c2ccc(N)cc2)nc(C)c1C	ZINC000001683532	355946901	/nfs/dbraw/zinc/94/69/01/355946901.db2.gz	OPYDAKQSRXYIRH-UHFFFAOYSA-N	-1	0	292.364	1.785	40	0		CDABRM
CCOC(=O)C1=C(C)c2ccccc2O[C@H]1C(=O)[O-]	ZINC000001718153	355949538	/nfs/dbraw/zinc/94/95/38/355949538.db2.gz	ZJBKCVYKOWNMKK-GFCCVEGCSA-N	-1	0	262.261	1.869	40	0		CDABRM
COc1cc2cccnc2c(NC(=O)/C=C\C(=O)[O-])c1	ZINC000031687792	356768559	/nfs/dbraw/zinc/76/85/59/356768559.db2.gz	WDEJKSJHTCNDSE-PLNGDYQASA-N	-1	0	272.260	1.823	40	0		CDABRM
Cc1nn([C@H](C)C(=O)[O-])c(=O)c2cc3occc3n21	ZINC000032916976	356790717	/nfs/dbraw/zinc/79/07/17/356790717.db2.gz	CPUZLXLFXQUTKZ-ZCFIWIBFSA-N	-1	0	261.237	1.196	40	0		CDABRM
Cc1ccc(-c2ncc(C(=O)[O-])c(N3CCOCC3)n2)cc1	ZINC000049469306	357217568	/nfs/dbraw/zinc/21/75/68/357217568.db2.gz	NRGOJPNPPORHNO-UHFFFAOYSA-N	-1	0	299.330	1.987	40	0		CDABRM
COc1ccc(-n2[n-]c3[nH]c(C)c(C)c(=O)c3c2=O)cc1	ZINC000017009430	357619855	/nfs/dbraw/zinc/61/98/55/357619855.db2.gz	XUHYLKQZEAHGIQ-UHFFFAOYSA-N	-1	0	285.303	1.633	40	0		CDABRM
Cc1nc(CC(=O)NC2CCCCC2)ncc1C(=O)[O-]	ZINC000217354112	358995278	/nfs/dbraw/zinc/99/52/78/358995278.db2.gz	BWTQNCWVYNEZHN-UHFFFAOYSA-N	-1	0	277.324	1.475	40	0		CDABRM
O=C([O-])COc1nn(-c2ccccc2)cc1Cl	ZINC000218675396	359061341	/nfs/dbraw/zinc/06/13/41/359061341.db2.gz	DLCNUFMEFXRLMS-UHFFFAOYSA-N	-1	0	252.657	1.989	40	0		CDABRM
CCc1ccccc1C[C@@H](C(=O)[O-])N1CCOCC1	ZINC000225142675	359551990	/nfs/dbraw/zinc/55/19/90/359551990.db2.gz	OYSGSUSWIPXBDU-AWEZNQCLSA-N	-1	0	263.337	1.577	40	0		CDABRM
CS(=O)(=O)[C@H]1[C@@H](C(=O)[O-])[C@@H]1c1cccc(F)c1	ZINC000218398432	367195806	/nfs/dbraw/zinc/19/58/06/367195806.db2.gz	DVWHMBXHYSUMKD-LPEHRKFASA-N	-1	0	258.270	1.037	40	0		CDABRM
CC(C)CS(=O)(=O)c1ccc(OCC(=O)[O-])c(F)c1	ZINC000218303987	367261574	/nfs/dbraw/zinc/26/15/74/367261574.db2.gz	DJXBPSMGDGAJAF-UHFFFAOYSA-N	-1	0	290.312	1.719	40	0		CDABRM
Cc1ccc(CC(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)o1	ZINC000540674354	368551335	/nfs/dbraw/zinc/55/13/35/368551335.db2.gz	OTYIHWZTPZRERV-LBPRGKRZSA-N	-1	0	277.320	1.844	40	0		CDABRM
O=C([O-])[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)Nc1nccs1	ZINC000003159672	304155817	/nfs/dbraw/zinc/15/58/17/304155817.db2.gz	SUGSIWBFIBIQDM-UYXSQOIJSA-N	-1	0	264.306	1.605	40	0		CDABRM
Cc1nnc(Sc2ccc(C(=O)[O-])cc2N)[nH]1	ZINC000041633011	372948978	/nfs/dbraw/zinc/94/89/78/372948978.db2.gz	FNDXLRQHMMXRJY-UHFFFAOYSA-N	-1	0	250.283	1.545	40	0		CDABRM
O=C([O-])[C@H]1CC(=O)O[C@H]1c1ccc(O)c(Cl)c1	ZINC000085393370	304175083	/nfs/dbraw/zinc/17/50/83/304175083.db2.gz	WHMWWFZRSMYFFA-WKEGUHRASA-N	-1	0	256.641	1.734	40	0		CDABRM
Cc1c[nH]nc1C[C@@H]1CCCN(C(=O)CCC(=O)[O-])C1	ZINC000257233020	190017348	/nfs/dbraw/zinc/01/73/48/190017348.db2.gz	GNKHNHJWRUOCGO-NSHDSACASA-N	-1	0	279.340	1.364	40	0		CDABRM
Cc1nc2cc(C(=O)N3CC[C@@H](C(=O)[O-])C3)ccc2[nH]1	ZINC000257342215	190037156	/nfs/dbraw/zinc/03/71/56/190037156.db2.gz	ZNOPTVXRGPRRQO-SNVBAGLBSA-N	-1	0	273.292	1.418	40	0		CDABRM
CC(C)(C)C(=O)NCc1ccc2c(c1C(=O)[O-])OCO2	ZINC000261828400	190045004	/nfs/dbraw/zinc/04/50/04/190045004.db2.gz	NCEYJCKDJDKYLD-UHFFFAOYSA-N	-1	0	279.292	1.776	40	0		CDABRM
Cc1noc(C)c1S(=O)(=O)[N-]c1ccc(F)cn1	ZINC000069675360	378517708	/nfs/dbraw/zinc/51/77/08/378517708.db2.gz	UQBYAXIAXOUILX-UHFFFAOYSA-N	-1	0	271.273	1.626	40	0		CDABRM
O=C([O-])c1ccnc(I)c1F	ZINC000002525023	304273778	/nfs/dbraw/zinc/27/37/78/304273778.db2.gz	WMTJOHUCCVVQSY-UHFFFAOYSA-N	-1	0	266.997	1.524	40	0		CDABRM
O=C1NC(=O)[C@@]23CCCCc4cccc(c42)C([O-])=C13	ZINC000001580457	390138925	/nfs/dbraw/zinc/13/89/25/390138925.db2.gz	CAUZCEGHOIHNJU-NHYWBVRUSA-N	-1	0	255.273	1.120	40	0		CDABRM
Cc1c(C(=O)[O-])nnc2c(-c3ccc(F)cc3)cnn21	ZINC000020343090	390231807	/nfs/dbraw/zinc/23/18/07/390231807.db2.gz	XJWHLKSSDXGIIH-UHFFFAOYSA-N	-1	0	272.239	1.937	40	0		CDABRM
O=C([O-])c1ccn(Cc2cn3cc(Cl)ccc3n2)n1	ZINC000096517397	390532872	/nfs/dbraw/zinc/53/28/72/390532872.db2.gz	WGZITWYMSUBLOH-UHFFFAOYSA-N	-1	0	276.683	1.931	40	0		CDABRM
O=C([O-])c1cn(Cc2cn3cc(F)ccc3n2)cn1	ZINC000096517349	390533164	/nfs/dbraw/zinc/53/31/64/390533164.db2.gz	UYHGJRNDBOJWOJ-UHFFFAOYSA-N	-1	0	260.228	1.416	40	0		CDABRM
Cn1nc(C(=O)N2CCC[C@@H](C(=O)[O-])C2)c2ccccc21	ZINC000096517466	390533463	/nfs/dbraw/zinc/53/34/63/390533463.db2.gz	SIUPGCAPVXFBLX-SNVBAGLBSA-N	-1	0	287.319	1.510	40	0		CDABRM
Cc1cc(I)ncc1C(=O)[O-]	ZINC000072225977	390626145	/nfs/dbraw/zinc/62/61/45/390626145.db2.gz	GPCVRDSYTXPVRQ-UHFFFAOYSA-N	-1	0	263.034	1.693	40	0		CDABRM
CCOC(=O)c1nnc(COc2ccccc2N)[n-]1	ZINC000085385978	390639264	/nfs/dbraw/zinc/63/92/64/390639264.db2.gz	CAHRGGFZNAUKCK-UHFFFAOYSA-N	-1	0	262.269	1.143	40	0		CDABRM
COCC[C@H](Oc1nn(C)c2ccccc21)C(=O)[O-]	ZINC000225770860	533315528	/nfs/dbraw/zinc/31/55/28/533315528.db2.gz	QVMXQPHDTONXRJ-NSHDSACASA-N	-1	0	264.281	1.442	40	0		CDABRM
CC(C)S(=O)(=O)c1ccc(OCC(=O)[O-])c(F)c1	ZINC000218303910	130767529	/nfs/dbraw/zinc/76/75/29/130767529.db2.gz	KEMFHHMYNOZTTB-UHFFFAOYSA-N	-1	0	276.285	1.471	40	0		CDABRM
Cn1nnc2c1cc(C(=O)[O-])cc2Br	ZINC000218257679	130767721	/nfs/dbraw/zinc/76/77/21/130767721.db2.gz	SJMPVIXSDZETOP-UHFFFAOYSA-N	-1	0	256.059	1.429	40	0		CDABRM
O=C([O-])c1cc(S(=O)(=O)NC2CCCCC2)ccc1O	ZINC000005234937	170078164	/nfs/dbraw/zinc/07/81/64/170078164.db2.gz	GKSBRTBOHBPTKV-UHFFFAOYSA-N	-1	0	299.348	1.701	40	0		CDABRM
O=C([O-])c1c[nH]c(=S)n(-c2ccc(F)cc2)c1=O	ZINC000020156279	171038730	/nfs/dbraw/zinc/03/87/30/171038730.db2.gz	JRIHBFAQBCHXRU-UHFFFAOYSA-N	-1	0	266.253	1.732	40	0		CDABRM
C[C@@H]1[C@@H](C)CCC[C@@H]1NC(=O)c1nn(C)cc1C(=O)[O-]	ZINC000020616081	171267798	/nfs/dbraw/zinc/26/77/98/171267798.db2.gz	AXZANOICVAFKFQ-NGZCFLSTSA-N	-1	0	279.340	1.673	40	0		CDABRM
O=c1ccn(Cc2nnn[n-]2)c2ccc(C(F)(F)F)cc12	ZINC000040175543	174200736	/nfs/dbraw/zinc/20/07/36/174200736.db2.gz	AARFXMYVTPNWNZ-UHFFFAOYSA-N	-1	0	295.224	1.582	40	0		CDABRM
Cc1ccnc([N-]S(=O)(=O)c2cncc(F)c2)c1	ZINC000069673687	175847288	/nfs/dbraw/zinc/84/72/88/175847288.db2.gz	NOSFYJWOANMMJV-UHFFFAOYSA-N	-1	0	267.285	1.147	40	0		CDABRM
O=C([O-])[C@@H]1[C@H](C(=O)Nc2ccccc2O)[C@H]2C=C[C@@H]1C2	ZINC000071792706	176263299	/nfs/dbraw/zinc/26/32/99/176263299.db2.gz	ZSIOTNRWXQEMDQ-ZFWZSOMGSA-N	-1	0	273.288	1.854	40	0		CDABRM
COc1ccccc1Cc1cncc(N2CC(C(=O)[O-])C2)n1	ZINC000072360976	176376753	/nfs/dbraw/zinc/37/67/53/176376753.db2.gz	BYWAVTOXFJFMRF-UHFFFAOYSA-N	-1	0	299.330	1.597	40	0		CDABRM
CC(C)c1nc([N-]S(=O)(=O)c2cccnc2)n(C)n1	ZINC000073840507	176495372	/nfs/dbraw/zinc/49/53/72/176495372.db2.gz	IRJFAAOIDRPRRG-UHFFFAOYSA-N	-1	0	281.341	1.134	40	0		CDABRM
O=C([O-])c1ccc(CCNC(=O)c2cscn2)cc1	ZINC000062353928	262411722	/nfs/dbraw/zinc/41/17/22/262411722.db2.gz	KOZYIJXVXJIAOZ-UHFFFAOYSA-N	-1	0	276.317	1.814	40	0		CDABRM
CC(C)(C)OC(=O)N1Cc2ccnn2[C@H](CC(=O)[O-])C1	ZINC000306131924	278419768	/nfs/dbraw/zinc/41/97/68/278419768.db2.gz	KTHHDPWIRCNFIB-SNVBAGLBSA-N	-1	0	281.312	1.650	40	0		CDABRM
Nc1nn(-c2cccc(C(F)(F)F)c2)nc1C(=O)[O-]	ZINC000089263340	303506599	/nfs/dbraw/zinc/50/65/99/303506599.db2.gz	YHBQCTHGRMVCDU-UHFFFAOYSA-N	-1	0	272.186	1.567	40	0		CDABRM
Cn1cc(C(=O)[O-])c2ncc(Br)nc21	ZINC000606301497	1159595701	/nfs/dbraw/zinc/59/57/01/1159595701.db2.gz	ZAUFQIPCKXWAPT-UHFFFAOYSA-N	-1	0	256.059	1.429	40	0		CDABRM
COC[C@@]1(C(=O)[O-])CCN(C(=O)CC(C)(C)C)C1	ZINC000261577125	536819678	/nfs/dbraw/zinc/81/96/78/536819678.db2.gz	OCYRHRLZISSAMI-CYBMUJFWSA-N	-1	0	257.330	1.372	40	0		CDABRM
COc1cccc(/C=C\[N+](=O)[O-])c1O[C@@H](C)C(=O)[O-]	ZINC000409226967	230413353	/nfs/dbraw/zinc/41/33/53/230413353.db2.gz	OCHWTWSLKPBSGN-UAPHAKCISA-N	-1	0	267.237	1.795	40	0		CDABRM
O=C(NCC1(O)CCC1)c1c([O-])cc(F)cc1F	ZINC000081758481	362213780	/nfs/dbraw/zinc/21/37/80/362213780.db2.gz	CISHPOPTMFKUCF-UHFFFAOYSA-N	-1	0	257.236	1.315	40	0		CDABRM
CCOC(=O)c1nnc(COc2ccc(F)cc2)[n-]1	ZINC000085385743	179046456	/nfs/dbraw/zinc/04/64/56/179046456.db2.gz	PGXNRZMWKVEAHJ-UHFFFAOYSA-N	-1	0	265.244	1.700	40	0		CDABRM
C[C@H](Sc1nc([O-])cc(=O)[nH]1)C(=O)Nc1nccs1	ZINC000139108389	348742605	/nfs/dbraw/zinc/74/26/05/348742605.db2.gz	MPRBGKGRONKNIO-YFKPBYRVSA-N	-1	0	298.349	1.051	40	0		CDABRM
CCOC(=O)/C=C/C(=O)Nc1ccc(C(=O)[O-])c(O)c1	ZINC000001561627	355938960	/nfs/dbraw/zinc/93/89/60/355938960.db2.gz	SPJMXGWVDDREEU-AATRIKPKSA-N	-1	0	279.248	1.148	40	0		CDABRM
CC(C)=CCNc1ncnc2c1ncn2CCC(=O)[O-]	ZINC000001856372	355953432	/nfs/dbraw/zinc/95/34/32/355953432.db2.gz	UKBRJXMGUKBDLF-UHFFFAOYSA-N	-1	0	275.312	1.679	40	0		CDABRM
Cc1ccc(C)c(NC(=O)[C@H]2[C@H]3C=C[C@H](O3)[C@@H]2C(=O)[O-])c1	ZINC000002737434	358499821	/nfs/dbraw/zinc/49/98/21/358499821.db2.gz	VQWFIKFFDQRBPN-RFGFWPKPSA-N	-1	0	287.315	1.896	40	0		CDABRM
O=C([O-])C1(NC(=O)c2cccc(F)c2)CCCC1	ZINC000012357035	356294843	/nfs/dbraw/zinc/29/48/43/356294843.db2.gz	FFESZPGAZMIMHB-UHFFFAOYSA-N	-1	0	251.257	1.953	40	0		CDABRM
COc1ccccc1OCC(=O)N1CCCC[C@H]1C(=O)[O-]	ZINC000032155375	356775479	/nfs/dbraw/zinc/77/54/79/356775479.db2.gz	BGOMSJGJRRGBGX-NSHDSACASA-N	-1	0	293.319	1.540	40	0		CDABRM
COc1cccc(OCc2ncc(C(=O)[O-])c(=O)[nH]2)c1	ZINC000058038261	357374488	/nfs/dbraw/zinc/37/44/88/357374488.db2.gz	MCSLYIVLQUGQQB-UHFFFAOYSA-N	-1	0	276.248	1.056	40	0		CDABRM
CCCc1noc(-c2cccn3c(CC(=O)[O-])nnc23)n1	ZINC000070451543	357724744	/nfs/dbraw/zinc/72/47/44/357724744.db2.gz	PAZYLZMJOWMJJJ-UHFFFAOYSA-N	-1	0	287.279	1.359	40	0		CDABRM
Cc1nn(C)c(C(=O)[O-])c1N1C(=O)c2ccccc2C1=O	ZINC000616580906	358746734	/nfs/dbraw/zinc/74/67/34/358746734.db2.gz	QPTPHTGYXPBHAZ-UHFFFAOYSA-N	-1	0	285.259	1.227	40	0		CDABRM
Cc1nc(Cc2ccc(F)cc2)[nH]c(=O)c1CC(=O)[O-]	ZINC000041084631	358839009	/nfs/dbraw/zinc/83/90/09/358839009.db2.gz	XIOAIZIYEOBHES-UHFFFAOYSA-N	-1	0	276.267	1.435	40	0		CDABRM
CC(=O)c1cc(C(=O)[O-])c(=O)n(-c2cccc(Cl)c2)n1	ZINC000225966119	359636250	/nfs/dbraw/zinc/63/62/50/359636250.db2.gz	OSRWKPIMADGDKJ-UHFFFAOYSA-N	-1	0	292.678	1.787	40	0		CDABRM
Nc1ccc(N2CCN(c3ncccn3)CC2)c(C(=O)[O-])c1	ZINC000315003228	360436499	/nfs/dbraw/zinc/43/64/99/360436499.db2.gz	DTPZQEMTDYOAPZ-UHFFFAOYSA-N	-1	0	299.334	1.084	40	0		CDABRM
Cc1cc(C(=O)N2CCC(CCC(=O)[O-])CC2)n[nH]1	ZINC000070378725	361175032	/nfs/dbraw/zinc/17/50/32/361175032.db2.gz	CPIIIMNFVFTJOV-UHFFFAOYSA-N	-1	0	265.313	1.435	40	0		CDABRM
Cc1ccc(C)c(NC(=O)[C@@H]2[C@@H](C(=O)[O-])[C@H]3C=C[C@@H]2O3)c1	ZINC000169304300	365037791	/nfs/dbraw/zinc/03/77/91/365037791.db2.gz	VQWFIKFFDQRBPN-CRWXNKLISA-N	-1	0	287.315	1.896	40	0		CDABRM
CCCCn1c(=O)c2ccc(C(=O)[O-])cc2n(C)c1=O	ZINC000032500297	367812364	/nfs/dbraw/zinc/81/23/64/367812364.db2.gz	ABJJQQROJKJORJ-UHFFFAOYSA-N	-1	0	276.292	1.199	40	0		CDABRM
COc1ccc(Cl)c2c(=O)ccn(Cc3nnn[n-]3)c12	ZINC000064874744	374241090	/nfs/dbraw/zinc/24/10/90/374241090.db2.gz	PYKODABQGLCAGF-UHFFFAOYSA-N	-1	0	291.698	1.225	40	0		CDABRM
O=C([O-])CNC(=O)Cc1coc2cc(F)ccc12	ZINC000427317815	247126052	/nfs/dbraw/zinc/12/60/52/247126052.db2.gz	YBELJKAJDWUIFH-UHFFFAOYSA-N	-1	0	251.213	1.315	40	0		CDABRM
O=C([O-])[C@@H]1C[C@@H]1C(=O)Nc1ccc2ncccc2c1	ZINC000054108220	377348197	/nfs/dbraw/zinc/34/81/97/377348197.db2.gz	PETJXGDSENRIBW-WDEREUQCSA-N	-1	0	256.261	1.894	40	0		CDABRM
O=C([O-])c1cc(NC(=O)[C@@H]2CC23CCOCC3)ccc1O	ZINC000633138234	378145103	/nfs/dbraw/zinc/14/51/03/378145103.db2.gz	GNRMNVMAPQYOJM-NSHDSACASA-N	-1	0	291.303	1.846	40	0		CDABRM
O=C1NC(=O)[C@]23CCCCc4cccc(c42)C([O-])=C13	ZINC000001580456	390139246	/nfs/dbraw/zinc/13/92/46/390139246.db2.gz	CAUZCEGHOIHNJU-XHDPSFHLSA-N	-1	0	255.273	1.120	40	0		CDABRM
CC(C)[NH+]1CSC(=S)[N-]CC[N-]C(=S)SC1	ZINC000018213442	390225438	/nfs/dbraw/zinc/22/54/38/390225438.db2.gz	WDUPVNNXNIHECX-UHFFFAOYSA-N	-1	0	295.524	1.841	40	0		CDABRM
O=C([O-])[C@@H]1CC(=O)N(c2cnn(CC3CCC3)c2)C1	ZINC000096528928	390539869	/nfs/dbraw/zinc/53/98/69/390539869.db2.gz	WNQPJTGJLFTMFJ-SNVBAGLBSA-N	-1	0	263.297	1.121	40	0		CDABRM
CCCn1nc([C@@H](C)C(=O)[O-])c2ccccc2c1=O	ZINC000072209271	390616439	/nfs/dbraw/zinc/61/64/39/390616439.db2.gz	SUVKXRPVSBBBQK-SECBINFHSA-N	-1	0	260.293	1.995	40	0		CDABRM
O=C([O-])c1nnn(-c2ccccc2)c1Br	ZINC000218620257	391980769	/nfs/dbraw/zinc/98/07/69/391980769.db2.gz	MVCJKHXRKYOVTL-UHFFFAOYSA-N	-1	0	268.070	1.728	40	0		CDABRM
CCS(=O)(=O)[C@@H]1[C@H](C(=O)[O-])[C@H]1c1cccc(F)c1	ZINC000252515406	392796891	/nfs/dbraw/zinc/79/68/91/392796891.db2.gz	JPWSRQYNXQUAQT-MXWKQRLJSA-N	-1	0	272.297	1.427	40	0		CDABRM
CSCC[C@@H](NC(=O)/C=C\c1ccco1)C(=O)[O-]	ZINC000209600868	397999230	/nfs/dbraw/zinc/99/92/30/397999230.db2.gz	KHFWWYXHMBWCPB-UMCURTJPSA-N	-1	0	269.322	1.615	40	0		CDABRM
O=C([O-])[C@H]1[C@@H]2C=C[C@@H](O2)[C@H]1C(=O)NCCC1=CCCCC1	ZINC000004197515	169942977	/nfs/dbraw/zinc/94/29/77/169942977.db2.gz	DHYQIKJQFFCKFX-RQJABVFESA-N	-1	0	291.347	1.647	40	0		CDABRM
Nn1c(SCC(=O)[O-])nnc1-c1ccccc1Cl	ZINC000020303773	171140445	/nfs/dbraw/zinc/14/04/45/171140445.db2.gz	IYIZWZSXKDODBX-UHFFFAOYSA-N	-1	0	284.728	1.489	40	0		CDABRM
CCCS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F	ZINC000034961639	171906036	/nfs/dbraw/zinc/90/60/36/171906036.db2.gz	PEZDPTPWOADZPM-UHFFFAOYSA-N	-1	0	264.249	1.847	40	0		CDABRM
C/C(CO)=C1/CC[C@]23CO[C@H](C2)[C@@](O)(C(=O)[O-])CC[C@H]13	ZINC000035455028	172206898	/nfs/dbraw/zinc/20/68/98/172206898.db2.gz	QYINOGPWFQBOJX-PXTJCVMASA-N	-1	0	282.336	1.090	40	0	biogenic,in-vitro	CDABRM
O=C([O-])c1cc(NC(=O)[C@H]2COCCO2)ccc1Cl	ZINC000037404392	173180610	/nfs/dbraw/zinc/18/06/10/173180610.db2.gz	YYLHMVPZGXRAQP-SNVBAGLBSA-N	-1	0	285.683	1.392	40	0		CDABRM
COC(=O)c1cc(Br)c([O-])cc1OC	ZINC000039951724	174176266	/nfs/dbraw/zinc/17/62/66/174176266.db2.gz	ZKQGADBVWHJVCD-UHFFFAOYSA-N	-1	0	261.071	1.950	40	0		CDABRM
CCc1nn(CC(=O)[O-])c(=O)c2cc3ccsc3n21	ZINC000072373506	176384720	/nfs/dbraw/zinc/38/47/20/176384720.db2.gz	JPEFFIDDRZVXII-UHFFFAOYSA-N	-1	0	277.305	1.358	40	0		CDABRM
CO[C@H](C(=O)[O-])[C@H]1CCCN1C(=O)OC(C)(C)C	ZINC000098181605	262590004	/nfs/dbraw/zinc/59/00/04/262590004.db2.gz	HNPBCAHTHZSMDP-BDAKNGLRSA-N	-1	0	259.302	1.486	40	0		CDABRM
Cc1ccnc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])c1	ZINC000004457777	302277586	/nfs/dbraw/zinc/27/75/86/302277586.db2.gz	RFUMBSXPMHJTPL-DNIRFERGSA-N	-1	0	272.304	1.851	40	0		CDABRM
O=C([O-])[C@@H]1CCCN(c2cc(-c3ccncc3)[nH]n2)C1	ZINC000096517189	342165838	/nfs/dbraw/zinc/16/58/38/342165838.db2.gz	LFSIWNGRXGRUBB-LLVKDONJSA-N	-1	0	272.308	1.773	40	0		CDABRM
C[C@@H](C(=O)[O-])N(C)c1ncnc2c1ncn2C1CC1	ZINC000263533010	362938770	/nfs/dbraw/zinc/93/87/70/362938770.db2.gz	XOQGRYOBQWZPQY-ZETCQYMHSA-N	-1	0	261.285	1.071	40	0		CDABRM
O=C([O-])C1(C(=O)N2CCCc3ccccc3C2)CC1	ZINC000062946327	304027323	/nfs/dbraw/zinc/02/73/23/304027323.db2.gz	KUFZMJRBJYBPCQ-UHFFFAOYSA-N	-1	0	259.305	1.826	40	0		CDABRM
O=C([O-])CCC(=O)N1CCC[C@@H]1CCc1ccncc1	ZINC000257271516	304044726	/nfs/dbraw/zinc/04/47/26/304044726.db2.gz	MYQIWBJFRYZMAT-CYBMUJFWSA-N	-1	0	276.336	1.870	40	0		CDABRM
C[C@]1(CCC(=O)[O-])NC(=S)N(c2ccccc2)C1=O	ZINC000000225140	355897356	/nfs/dbraw/zinc/89/73/56/355897356.db2.gz	LCGDYSRIMLIYSK-CYBMUJFWSA-N	-1	0	278.333	1.531	40	0		CDABRM
CCSCC[C@H](Nc1ncnc2nc[nH]c21)C(=O)[O-]	ZINC000001668894	355944918	/nfs/dbraw/zinc/94/49/18/355944918.db2.gz	NDSHFPKXDZUGAP-ZETCQYMHSA-N	-1	0	281.341	1.361	40	0		CDABRM
O=C([O-])C[S@@](=O)c1ccc(Br)cc1	ZINC000016926450	356449718	/nfs/dbraw/zinc/44/97/18/356449718.db2.gz	DETVCIDATZVWRX-ZDUSSCGKSA-N	-1	0	263.112	1.641	40	0		CDABRM
O=C([O-])[C@@H]1CCCN1C(=O)c1ccnc(Cl)c1	ZINC000026896563	356701539	/nfs/dbraw/zinc/70/15/39/356701539.db2.gz	KWIHFAPGRNEIHW-QMMMGPOBSA-N	-1	0	254.673	1.424	40	0		CDABRM
CCOC(=O)c1c[n-]c([N+](=O)[O-])c1Br	ZINC000031730138	356769230	/nfs/dbraw/zinc/76/92/30/356769230.db2.gz	ZQLIOZSCQVXPNC-SCSAIBSYSA-N	-1	0	263.047	1.091	40	0		CDABRM
O=C([O-])[C@@H]1CC(=O)N(Cc2ccc(F)c(Cl)c2)C1	ZINC000053147454	357283943	/nfs/dbraw/zinc/28/39/43/357283943.db2.gz	UHJNUKFLVIDSMN-MRVPVSSYSA-N	-1	0	271.675	1.912	40	0		CDABRM
Cc1c(Cl)cccc1C[C@@H](C(=O)[O-])[NH+]1CCN(C)CC1	ZINC000057626265	357362703	/nfs/dbraw/zinc/36/27/03/357362703.db2.gz	XVQGWRZTFSTUSZ-AWEZNQCLSA-N	-1	0	296.798	1.892	40	0		CDABRM
CCOC(=O)C1C=NN(c2cccc(Cl)n2)C1=O	ZINC000062720719	357478864	/nfs/dbraw/zinc/47/88/64/357478864.db2.gz	GJPPKUUTHRMSRZ-UHFFFAOYSA-N	-1	0	267.672	1.803	40	0		CDABRM
CC(C)(C)OC(=O)N1CC2(CC(=O)C2)C[C@H]1C(=O)[O-]	ZINC000616579769	358738932	/nfs/dbraw/zinc/73/89/32/358738932.db2.gz	UGPMPQPZWKFFOY-VIFPVBQESA-N	-1	0	269.297	1.430	40	0		CDABRM
CC(C)(C)OC(=O)N1C[C@]2(CCO2)C[C@H]1C(=O)[O-]	ZINC000097463423	358778271	/nfs/dbraw/zinc/77/82/71/358778271.db2.gz	XUMMRGIZVMMRIW-UFBFGSQYSA-N	-1	0	257.286	1.240	40	0		CDABRM
O=C([O-])C1CCN(C(=S)NCc2ccccc2)CC1	ZINC000216930456	366479867	/nfs/dbraw/zinc/47/98/67/366479867.db2.gz	SRUSDHZSXYRDJP-UHFFFAOYSA-N	-1	0	278.377	1.858	40	0		CDABRM
O=C([O-])C[C@H](CC(=O)N1CCC(O)CC1)c1ccccc1	ZINC000226750166	304081410	/nfs/dbraw/zinc/08/14/10/304081410.db2.gz	HAFZXOJVJLXYGM-ZDUSSCGKSA-N	-1	0	291.347	1.618	40	0		CDABRM
CCCNS(=O)(=O)c1ccc(NC2CC2)c(C(=O)[O-])c1	ZINC000217542150	359007960	/nfs/dbraw/zinc/00/79/60/359007960.db2.gz	GDTORKCIHXAWAF-UHFFFAOYSA-N	-1	0	298.364	1.647	40	0		CDABRM
O=c1[n-]cnc(NC2CCCC2)c1Br	ZINC000165167034	364851847	/nfs/dbraw/zinc/85/18/47/364851847.db2.gz	LNHKKQNDFYQFTG-UHFFFAOYSA-N	-1	0	258.119	1.887	40	0		CDABRM
Cc1cc(S(=O)(=O)C(F)F)ccc1OCC(=O)[O-]	ZINC000218303672	365420563	/nfs/dbraw/zinc/42/05/63/365420563.db2.gz	BKZZTVDKBMTHAZ-UHFFFAOYSA-N	-1	0	280.248	1.455	40	0		CDABRM
COc1cc2nn(-c3ccc(C(=O)[O-])cc3)nc2cc1N	ZINC000226264621	367362859	/nfs/dbraw/zinc/36/28/59/367362859.db2.gz	ODKWGGSLZHQNCL-UHFFFAOYSA-N	-1	0	284.275	1.710	40	0		CDABRM
O=C([O-])[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)N1CCCCCC1	ZINC000135975434	304155569	/nfs/dbraw/zinc/15/55/69/304155569.db2.gz	BCXDAYVGRBLLJD-QNWHQSFQSA-N	-1	0	263.337	1.912	40	0		CDABRM
O=C([O-])C[C@@H](CC(=O)NC[C@H]1CCCO1)c1ccccc1	ZINC000057604254	375539327	/nfs/dbraw/zinc/53/93/27/375539327.db2.gz	YLEVLXXTMUYRAR-ZIAGYGMSSA-N	-1	0	291.347	1.930	40	0		CDABRM
CCNc1nc(Cl)c(I)c(=O)[n-]1	ZINC000217588731	375679721	/nfs/dbraw/zinc/67/97/21/375679721.db2.gz	NKINNRNPNWHZJO-UHFFFAOYSA-N	-1	0	299.499	1.460	40	0		CDABRM
O=C([O-])[C@H]1[C@@H]2C=C[C@@]3(CN(C4CCCCC4)C(=O)[C@@H]13)O2	ZINC000002384442	304210130	/nfs/dbraw/zinc/21/01/30/304210130.db2.gz	SDOCVRCDRWCALS-OHTBPHCPSA-N	-1	0	277.320	1.186	40	0		CDABRM
O=C([O-])c1[nH]cc(Br)c(=O)c1Br	ZINC000014982590	304216043	/nfs/dbraw/zinc/21/60/43/304216043.db2.gz	GTJCPYWLOZTYDS-UHFFFAOYSA-N	-1	0	296.902	1.598	40	0		CDABRM
Cc1nc(CC(=O)NCCCCC(=O)[O-])cs1	ZINC000070199808	379362810	/nfs/dbraw/zinc/36/28/10/379362810.db2.gz	NSFHAASKMKQPQL-UHFFFAOYSA-N	-1	0	256.327	1.365	40	0		CDABRM
CCN(CC)c1ccc(=O)n(-c2ccc(C(=O)[O-])cc2)n1	ZINC000096517284	390533075	/nfs/dbraw/zinc/53/30/75/390533075.db2.gz	FESGQOSIEPVWSQ-UHFFFAOYSA-N	-1	0	287.319	1.777	40	0		CDABRM
CCc1cc(-n2cnc(C(=O)[O-])c2)nc(C2CC2)n1	ZINC000096517362	390533252	/nfs/dbraw/zinc/53/32/52/390533252.db2.gz	AMODVLFPHFTAMF-UHFFFAOYSA-N	-1	0	258.281	1.800	40	0		CDABRM
CNc1c(Br)cncc1S(=O)(=O)[O-]	ZINC000072210934	390617973	/nfs/dbraw/zinc/61/79/73/390617973.db2.gz	VUSFWXBATZQXIK-UHFFFAOYSA-N	-1	0	267.104	1.133	40	0		CDABRM
O=C([O-])c1cccnc1NCC[C@H](O)C(F)(F)F	ZINC000647454072	390961121	/nfs/dbraw/zinc/96/11/21/390961121.db2.gz	CMMINMDEXGIIFC-ZETCQYMHSA-N	-1	0	264.203	1.505	40	0		CDABRM
CCc1nc(C)c(C(=O)Nc2cnn(CC(=O)[O-])c2)s1	ZINC000647746069	391097145	/nfs/dbraw/zinc/09/71/45/391097145.db2.gz	YDDMFDCDTNTZCP-UHFFFAOYSA-N	-1	0	294.336	1.547	40	0		CDABRM
COc1ccc(C)cc1NC(=O)COCC(=O)[O-]	ZINC000004374661	169962922	/nfs/dbraw/zinc/96/29/22/169962922.db2.gz	RDCJZTJFJFMDRY-UHFFFAOYSA-N	-1	0	253.254	1.043	40	0		CDABRM
Cc1nnc(SCC(=O)N(C(C)C)C(C)C)[n-]c1=O	ZINC000005009383	170054652	/nfs/dbraw/zinc/05/46/52/170054652.db2.gz	MBIOVAPECVKPOY-UHFFFAOYSA-N	-1	0	284.385	1.623	40	0		CDABRM
O=C(NCCS(=O)(=O)[O-])Nc1ccc(Cl)cc1	ZINC000005895590	170151302	/nfs/dbraw/zinc/15/13/02/170151302.db2.gz	FNJMYJSKJQBGPT-UHFFFAOYSA-N	-1	0	278.717	1.349	40	0		CDABRM
NC(=O)NC(C(=O)[O-])(c1ccccc1)c1ccccc1	ZINC000006095910	170176115	/nfs/dbraw/zinc/17/61/15/170176115.db2.gz	UESCARMREGSPTP-UHFFFAOYSA-N	-1	0	270.288	1.683	40	0		CDABRM
C=CC(=O)N[C@H](CSCc1ccccc1)C(=O)[O-]	ZINC000006185880	170181420	/nfs/dbraw/zinc/18/14/20/170181420.db2.gz	AWPFZZAYRVQWDT-LLVKDONJSA-N	-1	0	265.334	1.675	40	0		CDABRM
CC(=O)NSC[C@@H](C(=O)[O-])N(C)C(=O)OC(C)(C)C	ZINC000043919234	278125467	/nfs/dbraw/zinc/12/54/67/278125467.db2.gz	LEKANWTZRNWEGP-QMMMGPOBSA-N	-1	0	292.357	1.091	40	0		CDABRM
C[C@@H]1Cc2ccccc2N1C(=O)c1cc(C(=O)[O-])nn1C	ZINC000002781765	297504931	/nfs/dbraw/zinc/50/49/31/297504931.db2.gz	GWOCZASQHNKZJE-SECBINFHSA-N	-1	0	285.303	1.710	40	0		CDABRM
Cc1c(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])cnn1C	ZINC000036610955	300980312	/nfs/dbraw/zinc/98/03/12/300980312.db2.gz	AEWHKOIZLDCEAA-QCZKYFFMSA-N	-1	0	275.308	1.190	40	0		CDABRM
Cn1cnc2c1[C@@H](C(=O)[O-])CN(C(=O)OC(C)(C)C)C2	ZINC000309735889	303022963	/nfs/dbraw/zinc/02/29/63/303022963.db2.gz	CWGYFPMPJCCETD-QMMMGPOBSA-N	-1	0	281.312	1.339	40	0		CDABRM
C=C(C(=O)[O-])[C@@H]1CC[C@]2(C)CC[C@H](O)[C@](C)(O)[C@@H]2C1	ZINC000015057652	1159589115	/nfs/dbraw/zinc/58/91/15/1159589115.db2.gz	SVUDFAVZLCGQAU-GGUBGCTKSA-N	-1	0	268.353	1.956	40	0	biogenic,in-vitro	CDABRM
O=C([O-])[C@H]1CS[C@H](Cc2cccc(F)c2)C(=O)N1	ZINC000062712226	526333198	/nfs/dbraw/zinc/33/31/98/526333198.db2.gz	FHDRMGXAVGKUPH-NXEZZACHSA-N	-1	0	269.297	1.053	40	0		CDABRM
CC(C)Oc1nn(C)c2ccc(OCC(=O)[O-])cc12	ZINC000225771682	528293008	/nfs/dbraw/zinc/29/30/08/528293008.db2.gz	XKDZLLJETZHGRE-UHFFFAOYSA-N	-1	0	264.281	1.824	40	0		CDABRM
COC[C@]1(C(=O)[O-])CCN(C(=O)CC(C)(C)C)C1	ZINC000261577126	536665738	/nfs/dbraw/zinc/66/57/38/536665738.db2.gz	OCYRHRLZISSAMI-ZDUSSCGKSA-N	-1	0	257.330	1.372	40	0		CDABRM
Cc1cc(C)n(CCNC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])n1	ZINC000035670910	1175548846	/nfs/dbraw/zinc/54/88/46/1175548846.db2.gz	VUUDQDFCQSHKRF-STQMWFEESA-N	-1	0	293.367	1.507	40	0		CDABRM
CC1(C)C[C@H]2C=C(C(=O)[O-])[C@@H]3C[C@@H](O)[C@@](C)(O)[C@@]32C1	ZINC000031162492	1165718112	/nfs/dbraw/zinc/71/81/12/1165718112.db2.gz	OMRLJECTMKPHFG-GRZWLBFGSA-N	-1	0	266.337	1.565	40	0	biogenic,in-vitro	CDABRM
Nc1nn(Cc2ccc(F)cc2Cl)cc1C(=O)[O-]	ZINC000408716064	230408634	/nfs/dbraw/zinc/40/86/34/230408634.db2.gz	ILIQNDMALJUQJL-UHFFFAOYSA-N	-1	0	269.663	1.835	40	0		CDABRM
Cn1nc(-c2ccc(Cl)cc2)cc(C(=O)[O-])c1=O	ZINC000082452830	178031089	/nfs/dbraw/zinc/03/10/89/178031089.db2.gz	WBMSWHMUMGGHCU-UHFFFAOYSA-N	-1	0	264.668	1.799	40	0		CDABRM
O=C([O-])COc1ccc(/C=N/NC(=O)c2ccco2)cc1	ZINC000008043496	342349545	/nfs/dbraw/zinc/34/95/45/342349545.db2.gz	CSTAQVRXURJQDZ-OVCLIPMQSA-N	-1	0	288.259	1.507	40	0		CDABRM
CSCC[C@H](NC(=O)/C=C\c1ccco1)C(=O)[O-]	ZINC000103507987	346359186	/nfs/dbraw/zinc/35/91/86/346359186.db2.gz	KHFWWYXHMBWCPB-LWTINBJPSA-N	-1	0	269.322	1.615	40	0		CDABRM
O=C(CC[P@](=O)([O-])O)c1c[nH]c2ccccc12	ZINC000001602651	355941331	/nfs/dbraw/zinc/94/13/31/355941331.db2.gz	KWHDGYUAPRBMDF-UHFFFAOYSA-N	-1	0	253.194	1.918	40	0		CDABRM
COc1ccc([C@@H]2CCC(=O)C[C@]2(O)C(=O)[O-])cc1	ZINC000001644702	355944073	/nfs/dbraw/zinc/94/40/73/355944073.db2.gz	OHGKIELKQXELNR-GXTWGEPZSA-N	-1	0	264.277	1.348	40	0		CDABRM
CCn1c(-c2ccccc2)nnc1S(=O)(=O)[O-]	ZINC000408712125	356097559	/nfs/dbraw/zinc/09/75/59/356097559.db2.gz	SLFNPCDJTDZAHO-UHFFFAOYSA-N	-1	0	253.283	1.212	40	0		CDABRM
Cc1ccc(F)cc1C(=O)N(C)C[C@@H](C)C(=O)[O-]	ZINC000059882536	356366224	/nfs/dbraw/zinc/36/62/24/356366224.db2.gz	IOQJBXGMMDFNJR-SECBINFHSA-N	-1	0	253.273	1.927	40	0		CDABRM
CC(C)Cn1ccc([C@H]2CCCN2CC(=O)[O-])n1	ZINC000012398671	356681686	/nfs/dbraw/zinc/68/16/86/356681686.db2.gz	XGQWTRHKRSSERM-GFCCVEGCSA-N	-1	0	251.330	1.761	40	0		CDABRM
O=S(=O)([O-])Oc1ccc2[nH]c(-c3cscn3)nc2c1	ZINC000031706150	356768612	/nfs/dbraw/zinc/76/86/12/356768612.db2.gz	FYTJWBDCONMFDZ-UHFFFAOYSA-N	-1	0	297.317	1.868	40	0	in-vitro	CDABRM
[NH3+][C@@H](C(=O)[O-])[C@@H](CC(=O)[O-])c1ccc(Cl)cc1	ZINC000013818289	357340482	/nfs/dbraw/zinc/34/04/82/357340482.db2.gz	ZHXBCPSYEAQEHB-WCBMZHEXSA-N	-1	0	257.673	1.310	40	0		CDABRM
O=C([O-])[C@@H]1[C@@H](C(=O)Nc2cccc(F)c2)[C@H]2CC[C@@H]1O2	ZINC000004197661	358575441	/nfs/dbraw/zinc/57/54/41/358575441.db2.gz	OASYZVWDOZKCAW-RHYQMDGZSA-N	-1	0	279.267	1.642	40	0		CDABRM
O=C([O-])[C@@H]1C[C@@]12c1ccccc1N(CC1CC1)C2=O	ZINC000096243472	358724398	/nfs/dbraw/zinc/72/43/98/358724398.db2.gz	ZDDGMDKINHMITI-XHDPSFHLSA-N	-1	0	257.289	1.786	40	0		CDABRM
O=C([O-])CS[C@@H]1CC(=O)N(c2cccc(F)c2)C1=O	ZINC000100856007	358836031	/nfs/dbraw/zinc/83/60/31/358836031.db2.gz	PGRVIOJZDGDXFY-SECBINFHSA-N	-1	0	283.280	1.275	40	0		CDABRM
C[C@H](c1ccc(F)cc1)n1nccc(C(=O)[O-])c1=O	ZINC000095097653	366517537	/nfs/dbraw/zinc/51/75/37/366517537.db2.gz	LQIRSCBQVFYLEP-MRVPVSSYSA-N	-1	0	262.240	1.690	40	0		CDABRM
CCOC(=O)C=C(C)N[C@H](C(=O)[O-])c1ccccc1	ZINC000100003887	359213323	/nfs/dbraw/zinc/21/33/23/359213323.db2.gz	SDGOHFKMDLYFMZ-XPSMFNQNSA-N	-1	0	263.293	1.869	40	0		CDABRM
O=C([O-])CCc1c(O)nc(-c2ccccc2)[nH]c1=O	ZINC000225007410	359544190	/nfs/dbraw/zinc/54/41/90/359544190.db2.gz	AVTDPNFYWHOCCD-UHFFFAOYSA-N	-1	0	260.249	1.160	40	0		CDABRM
Cc1ccc(F)c(NC(=O)[C@@H]2[C@@H](C(=O)[O-])[C@H]3C=C[C@@H]2O3)c1	ZINC000225786580	359617166	/nfs/dbraw/zinc/61/71/66/359617166.db2.gz	YMOPOVATZPIQJF-RNJOBUHISA-N	-1	0	291.278	1.727	40	0		CDABRM
COc1ccc(C=Cc2ncc(C(=O)[O-])c(=O)[nH]2)cc1	ZINC000226100690	359647695	/nfs/dbraw/zinc/64/76/95/359647695.db2.gz	YGNAOGDDTYIHPL-QPJJXVBHSA-N	-1	0	272.260	1.647	40	0		CDABRM
COC(=O)C(NC(=O)OC(C)(C)C)=C([O-])c1ccccc1	ZINC000095470335	360588146	/nfs/dbraw/zinc/58/81/46/360588146.db2.gz	MXXIBQPGFSMKCN-LLVKDONJSA-N	-1	0	293.319	1.936	40	0		CDABRM
CC(C)C(=O)NC(=S)NCc1ccc(C(=O)[O-])cc1	ZINC000226354565	360694878	/nfs/dbraw/zinc/69/48/78/360694878.db2.gz	WVFHNTAHZUAPPN-UHFFFAOYSA-N	-1	0	280.349	1.532	40	0		CDABRM
O=C([O-])[C@@H]1CC(=O)c2cc(Br)ccc2O1	ZINC000011849048	304098253	/nfs/dbraw/zinc/09/82/53/304098253.db2.gz	JSQMJWWDPOCMSU-VIFPVBQESA-N	-1	0	271.066	1.868	40	0		CDABRM
O=C([O-])[C@H]1CSCN1C(=O)OCc1ccccc1	ZINC000002511757	364580634	/nfs/dbraw/zinc/58/06/34/364580634.db2.gz	RPYBYBARYRKSIF-SNVBAGLBSA-N	-1	0	267.306	1.783	40	0		CDABRM
O=C([O-])[C@@H]1C[C@H](O)CCN1C(=O)OCc1ccccc1	ZINC000091303466	304145457	/nfs/dbraw/zinc/14/54/57/304145457.db2.gz	FTYFCFPNHFHPBH-NEPJUHHUSA-N	-1	0	279.292	1.233	40	0		CDABRM
C/C(CO)=C1/CC[C@@]23CO[C@@H](C2)[C@](O)(C(=O)[O-])CC[C@H]13	ZINC000253375789	373678761	/nfs/dbraw/zinc/67/87/61/373678761.db2.gz	QYINOGPWFQBOJX-PSDJSLOPSA-N	-1	0	282.336	1.090	40	0	biogenic,in-vitro	CDABRM
O=C([O-])COCCOCCOCCOc1ccccc1	ZINC000005604077	260018850	/nfs/dbraw/zinc/01/88/50/260018850.db2.gz	WGKXNTRIUQQQRW-UHFFFAOYSA-N	-1	0	284.308	1.200	40	0		CDABRM
CC[C@H](Oc1cccc(CS(C)(=O)=O)c1)C(=O)[O-]	ZINC000096509675	390530804	/nfs/dbraw/zinc/53/08/04/390530804.db2.gz	CUCJNESGKATOEW-NSHDSACASA-N	-1	0	272.322	1.473	40	0		CDABRM
CCc1cc(=O)n(Cc2cccc(C(=O)[O-])c2)cn1	ZINC000096531048	390540657	/nfs/dbraw/zinc/54/06/57/390540657.db2.gz	BEMZIRMHBZQVBN-UHFFFAOYSA-N	-1	0	258.277	1.552	40	0		CDABRM
Cc1ccc(F)c(NC(=O)[C@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)[O-])c1	ZINC000006725418	170232256	/nfs/dbraw/zinc/23/22/56/170232256.db2.gz	FFLRQQBZCLWZDY-VOAKCMCISA-N	-1	0	293.294	1.951	40	0		CDABRM
S=c1[n-]nc(Cc2ccc3c(c2)OCCO3)o1	ZINC000009286951	170370081	/nfs/dbraw/zinc/37/00/81/170370081.db2.gz	DRDFKIHMVUALLT-UHFFFAOYSA-N	-1	0	250.279	1.720	40	0		CDABRM
Cc1nc2[nH]c3ccccc3n2c(=O)c1CCC(=O)[O-]	ZINC000020153779	171037840	/nfs/dbraw/zinc/03/78/40/171037840.db2.gz	QFYVKZUZXRTRED-UHFFFAOYSA-N	-1	0	271.276	1.501	40	0		CDABRM
COc1cc(NS(C)(=O)=O)c(Cl)cc1C(=O)[O-]	ZINC000035154874	172017166	/nfs/dbraw/zinc/01/71/66/172017166.db2.gz	MXCMGJBYKKZNCF-UHFFFAOYSA-N	-1	0	279.701	1.418	40	0		CDABRM
CC1=NCCc2c3ccc(O)cc3n(S(=O)(=O)[O-])c21	ZINC000004934043	281698715	/nfs/dbraw/zinc/69/87/15/281698715.db2.gz	BOGHTAWHGDGNRQ-UHFFFAOYSA-N	-1	0	280.305	1.363	40	0		CDABRM
O=C1[N-]C(=O)N2CCS[C@@]2(Cc2ccccc2)N1	ZINC000004946053	304657185	/nfs/dbraw/zinc/65/71/85/304657185.db2.gz	XSJIJLNGXJAIKK-LBPRGKRZSA-N	-1	0	263.322	1.365	40	0		CDABRM
Cc1cc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])nn1C	ZINC000006787265	301358352	/nfs/dbraw/zinc/35/83/52/301358352.db2.gz	TZNUZBSBXWBGFB-DMWPJOQESA-N	-1	0	275.308	1.190	40	0		CDABRM
C[C@@H](CC(=O)[O-])NC(=O)c1nn(C)c2ccccc21	ZINC000231892387	482699981	/nfs/dbraw/zinc/69/99/81/482699981.db2.gz	NDLYSWCQNJTVGD-QMMMGPOBSA-N	-1	0	261.281	1.166	40	0		CDABRM
O=C([O-])C1(C(=O)Nc2ccc3c(c2)OCCO3)CC1	ZINC000050290194	527553527	/nfs/dbraw/zinc/55/35/27/527553527.db2.gz	NOEYMASGOXTSCL-UHFFFAOYSA-N	-1	0	263.249	1.261	40	0		CDABRM
Cc1n[nH]c(SC(=Cc2ccncc2)C(=O)[O-])n1	ZINC000006959306	342495339	/nfs/dbraw/zinc/49/53/39/342495339.db2.gz	GFEZTHDNZALPDU-TWGQIWQCSA-N	-1	0	262.294	1.726	40	0		CDABRM
CNc1nn(-c2cccc(Cl)c2)nc1C(=O)[O-]	ZINC000256047067	350907820	/nfs/dbraw/zinc/90/78/20/350907820.db2.gz	KCHQNDGXLXAQNW-UHFFFAOYSA-N	-1	0	252.661	1.661	40	0		CDABRM
CC(=O)N[C@H](CCc1c[nH]c2ccccc12)C(=O)[O-]	ZINC000002556382	355975375	/nfs/dbraw/zinc/97/53/75/355975375.db2.gz	TZVGIHUGMJIKMD-CYBMUJFWSA-N	-1	0	260.293	1.690	40	0	in-vitro	CDABRM
O=C([O-])[C@@H](NC(=O)c1ccccc1)[C@H](O)c1ccccc1	ZINC000001706101	355948664	/nfs/dbraw/zinc/94/86/64/355948664.db2.gz	BDKNRYXHGHTRCI-UONOGXRCSA-N	-1	0	285.299	1.603	40	0		CDABRM
O=C([O-])[C@@H]1[C@@H](C(=O)Nc2cc(F)ccc2F)[C@H]2C=C[C@@H]1O2	ZINC000035898252	356053269	/nfs/dbraw/zinc/05/32/69/356053269.db2.gz	DVCPSCSBTRQRNT-RHYQMDGZSA-N	-1	0	295.241	1.558	40	0		CDABRM
CC(C)(C)OC(=O)N[C@@H](C(=O)[O-])[C@@H](O)c1ccccc1F	ZINC000004299310	356026608	/nfs/dbraw/zinc/02/66/08/356026608.db2.gz	MPJWTNGRJODCGK-MNOVXSKESA-N	-1	0	299.298	1.837	40	0		CDABRM
CC(C)Cn1nccc1[C@@H]1CCCN1CC(=O)[O-]	ZINC000012397317	356680724	/nfs/dbraw/zinc/68/07/24/356680724.db2.gz	FELJHWZHNWPRCK-NSHDSACASA-N	-1	0	251.330	1.761	40	0		CDABRM
O=C([O-])Cc1cnc(COc2ccccc2Cl)[nH]c1=O	ZINC000049468617	357217198	/nfs/dbraw/zinc/21/71/98/357217198.db2.gz	WAAAJUZUCYSVPV-UHFFFAOYSA-N	-1	0	294.694	1.629	40	0		CDABRM
Cc1c(Cl)cccc1C[C@H](C(=O)[O-])[NH+]1CCN(C)CC1	ZINC000057626266	357362693	/nfs/dbraw/zinc/36/26/93/357362693.db2.gz	XVQGWRZTFSTUSZ-CQSZACIVSA-N	-1	0	296.798	1.892	40	0		CDABRM
O=S1(=O)C=C([O-])c2cc(F)ccc2N1CC1CC1	ZINC000096517027	357522120	/nfs/dbraw/zinc/52/21/20/357522120.db2.gz	NRCAYCHUYCNTIR-UHFFFAOYSA-N	-1	0	269.297	1.568	40	0		CDABRM
CC[C@@H](C(=O)[O-])C1(O)CCN(C(=O)OC(C)(C)C)CC1	ZINC000118277984	358063024	/nfs/dbraw/zinc/06/30/24/358063024.db2.gz	ZSYPQTZAKMOBPT-JTQLQIEISA-N	-1	0	287.356	1.859	40	0		CDABRM
O=C([O-])[C@@H]1[C@@H](C(=O)NC2CCCCC2)[C@H]2CC[C@@H]1O2	ZINC000004614572	358616541	/nfs/dbraw/zinc/61/65/41/358616541.db2.gz	ZAWJFWINTRTJRS-RHYQMDGZSA-N	-1	0	267.325	1.314	40	0		CDABRM
CCC(=O)CC(=O)c1c([O-])c2ccccc2n(C)c1=O	ZINC000102785273	358892045	/nfs/dbraw/zinc/89/20/45/358892045.db2.gz	KGBLPVJBAMBKIM-UHFFFAOYSA-N	-1	0	273.288	1.796	40	0		CDABRM
O=C([O-])C[C@@H]1CSc2nc3ccccc3n2C1=O	ZINC000022127016	304080831	/nfs/dbraw/zinc/08/08/31/304080831.db2.gz	XUTTWHBFUPJKJQ-SSDOTTSWSA-N	-1	0	262.290	1.873	40	0		CDABRM
CCNS(=O)(=O)c1cc(C(=O)[O-])ccc1NC1CC1	ZINC000217409106	359000093	/nfs/dbraw/zinc/00/00/93/359000093.db2.gz	JXPRVQDUCIDDFD-UHFFFAOYSA-N	-1	0	284.337	1.257	40	0		CDABRM
Cc1cc(/C=C2/SC(=O)N(CC(=O)[O-])C2=O)c(C)n1C	ZINC000409149149	359198268	/nfs/dbraw/zinc/19/82/68/359198268.db2.gz	YCLMMRFJNNVQDT-BJMVGYQFSA-N	-1	0	294.332	1.763	40	0		CDABRM
Cc1cc(=O)[nH]c(COc2ccc(C(=O)[O-])cc2)n1	ZINC000226105797	359647778	/nfs/dbraw/zinc/64/77/78/359647778.db2.gz	FITZFHAHCOQCPX-UHFFFAOYSA-N	-1	0	260.249	1.356	40	0		CDABRM
O=C([O-])[C@@H](Cc1ccccc1Cl)N1CCOCC1	ZINC000041390610	304094660	/nfs/dbraw/zinc/09/46/60/304094660.db2.gz	RYEOTZMBDCFOGY-GFCCVEGCSA-N	-1	0	269.728	1.668	40	0		CDABRM
O=C([O-])[C@@H](c1ccc(F)cc1F)N1CCOCC1	ZINC000008699032	304096984	/nfs/dbraw/zinc/09/69/84/304096984.db2.gz	NEJAZKLVIPZCSH-LLVKDONJSA-N	-1	0	257.236	1.423	40	0		CDABRM
CC[C@H](C)S(=O)(=O)[N-]C(=O)[C@H]1CC1(Cl)Cl	ZINC000181969275	365058866	/nfs/dbraw/zinc/05/88/66/365058866.db2.gz	OFRWJWBXWYFFMB-NTSWFWBYSA-N	-1	0	274.169	1.425	40	0		CDABRM
CCS(=O)(=O)c1ccc(OCC(=O)[O-])c(C)c1	ZINC000218303226	365418458	/nfs/dbraw/zinc/41/84/58/365418458.db2.gz	YRPPMPIKOBLZGM-UHFFFAOYSA-N	-1	0	258.295	1.252	40	0		CDABRM
COc1ccc(CCC(=O)[O-])cc1S(=O)(=O)C(C)C	ZINC000218301604	365378722	/nfs/dbraw/zinc/37/87/22/365378722.db2.gz	YKCBMQDEKXEZQD-UHFFFAOYSA-N	-1	0	286.349	1.895	40	0		CDABRM
COc1ccc(S(=O)(=O)C(F)F)cc1C(=O)[O-]	ZINC000218300733	365379306	/nfs/dbraw/zinc/37/93/06/365379306.db2.gz	TXYHDGTYKCHVLZ-UHFFFAOYSA-N	-1	0	266.221	1.390	40	0		CDABRM
Cc1nnc2sc(-c3cccc(OCC(=O)[O-])c3)nn12	ZINC000226298139	367364109	/nfs/dbraw/zinc/36/41/09/367364109.db2.gz	AYUTUQBMSJBPKV-UHFFFAOYSA-N	-1	0	290.304	1.625	40	0		CDABRM
Cc1nc(C(=O)N2C[C@H](C(=O)[O-])Oc3ccccc32)co1	ZINC000225329427	189746872	/nfs/dbraw/zinc/74/68/72/189746872.db2.gz	XGCSXVXEOAAOFJ-GFCCVEGCSA-N	-1	0	288.259	1.475	40	0		CDABRM
Cc1ocnc1C(=O)NC[C@H](CC(C)C)C(=O)[O-]	ZINC000225550994	189756984	/nfs/dbraw/zinc/75/69/84/189756984.db2.gz	PKUHADMVHPVGNT-VIFPVBQESA-N	-1	0	254.286	1.460	40	0		CDABRM
O=C([O-])[C@H]1CCCN(c2cc3c(nn2)CCCC3)C1	ZINC000096516120	304184100	/nfs/dbraw/zinc/18/41/00/304184100.db2.gz	RJQQGVVPOGIUFR-NSHDSACASA-N	-1	0	261.325	1.656	40	0		CDABRM
Cn1ncc(Br)c1-c1n[n-]c(=N)s1	ZINC000408717807	541964733	/nfs/dbraw/zinc/96/47/33/541964733.db2.gz	VCDYKWMECXLHFI-UHFFFAOYSA-N	-1	0	260.120	1.114	40	0		CDABRM
Cc1cc(C(=O)N2C[C@@H](C(=O)[O-])c3ccccc32)no1	ZINC000132000924	375394473	/nfs/dbraw/zinc/39/44/73/375394473.db2.gz	RAZVHZKFUNLQBE-SNVBAGLBSA-N	-1	0	272.260	1.812	40	0		CDABRM
C[C@H](C(=O)[O-])n1cc(NC2=NCCCCC2)cn1	ZINC000217813984	375742199	/nfs/dbraw/zinc/74/21/99/375742199.db2.gz	YROWIRFYINSEOH-SECBINFHSA-N	-1	0	250.302	1.913	40	0		CDABRM
Cc1ccccc1COn1cccc(C(=O)[O-])c1=O	ZINC000041670631	375841073	/nfs/dbraw/zinc/84/10/73/375841073.db2.gz	MMIKMFCTVKCPAE-UHFFFAOYSA-N	-1	0	259.261	1.484	40	0		CDABRM
C[C@@H](NCc1cnc(-c2cccs2)nc1)[P@@](=O)([O-])O	ZINC000218773979	375894697	/nfs/dbraw/zinc/89/46/97/375894697.db2.gz	BDBGFGSIJDHOPY-QMMMGPOBSA-N	-1	0	299.292	1.818	40	0		CDABRM
O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@@H]1C(=O)Nc1ccccn1	ZINC000003878794	304211099	/nfs/dbraw/zinc/21/10/99/304211099.db2.gz	CDNKPIRXQQWJCC-QCZKYFFMSA-N	-1	0	258.277	1.543	40	0		CDABRM
O=C([O-])[C@]12C[C@H]1C(=O)c1cc(Br)ccc1O2	ZINC000085392663	304215996	/nfs/dbraw/zinc/21/59/96/304215996.db2.gz	VLFFQHDNHMCSMJ-CPCISQLKSA-N	-1	0	283.077	1.868	40	0		CDABRM
Cc1nn(C)c2cnn(Cc3ccc(C(=O)[O-])o3)c12	ZINC000041123440	379333800	/nfs/dbraw/zinc/33/38/00/379333800.db2.gz	ZSCLGUFUKTUHRR-UHFFFAOYSA-N	-1	0	260.253	1.418	40	0		CDABRM
COC(=O)[C@H]1C[C@H](C(=O)[O-])[C@H](c2ccccc2)N1C	ZINC000008730141	390183170	/nfs/dbraw/zinc/18/31/70/390183170.db2.gz	GGEAEPCMLBSHJG-TUAOUCFPSA-N	-1	0	263.293	1.306	40	0		CDABRM
CC(C)Cn1cc([C@@H](O)C2(C(=O)[O-])CCC2)cn1	ZINC000095093799	184941924	/nfs/dbraw/zinc/94/19/24/184941924.db2.gz	CTWVEGRFAVEOHV-LLVKDONJSA-N	-1	0	252.314	1.827	40	0		CDABRM
CC1=C(C(=O)[O-])[C@@H](c2ccc(F)cc2F)CC(=O)N1	ZINC000044563678	390434890	/nfs/dbraw/zinc/43/48/90/390434890.db2.gz	VZAQDECWKZFVPO-SECBINFHSA-N	-1	0	267.231	1.927	40	0		CDABRM
CCOC(=O)c1nnc(COc2ccccc2F)[n-]1	ZINC000085385935	390639279	/nfs/dbraw/zinc/63/92/79/390639279.db2.gz	JHNHRFLJOXKCMJ-UHFFFAOYSA-N	-1	0	265.244	1.700	40	0		CDABRM
O=C([O-])C1=C(c2ccccc2)CCCS1(=O)=O	ZINC000072210213	390617052	/nfs/dbraw/zinc/61/70/52/390617052.db2.gz	AOYJBKOJYQPYOX-UHFFFAOYSA-N	-1	0	252.291	1.691	40	0		CDABRM
CC[C@@H](C)[C@@](C)(O)CNc1ncccc1C(=O)[O-]	ZINC000647450590	390960637	/nfs/dbraw/zinc/96/06/37/390960637.db2.gz	WAMZKSVBYXCTBL-RNCFNFMXSA-N	-1	0	252.314	1.989	40	0		CDABRM
O=C([O-])C(F)(F)S(=O)(=O)c1nc2ccccc2s1	ZINC000217577080	130762184	/nfs/dbraw/zinc/76/21/84/130762184.db2.gz	GTHHRZOBOFLAAL-UHFFFAOYSA-N	-1	0	293.272	1.747	40	0		CDABRM
CCS(=O)(=O)c1ccc(OCC(=O)[O-])c(F)c1	ZINC000218303822	130767826	/nfs/dbraw/zinc/76/78/26/130767826.db2.gz	UPYIQCOSMQMTDU-UHFFFAOYSA-N	-1	0	262.258	1.083	40	0		CDABRM
Cc1ncsc1C(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1	ZINC000262348250	131213824	/nfs/dbraw/zinc/21/38/24/131213824.db2.gz	FIOCGULVKIILNE-VIFPVBQESA-N	-1	0	280.349	1.778	40	0		CDABRM
CCS(=O)(=O)[C@@H]1[C@@H](C(=O)[O-])[C@H]1c1ccc(Cl)cc1	ZINC000252515471	392797018	/nfs/dbraw/zinc/79/70/18/392797018.db2.gz	KHOFEQXEGIVQQE-VWYCJHECSA-N	-1	0	288.752	1.941	40	0		CDABRM
COc1ccccc1C(=O)N1CCOC[C@@H]1CC(=O)[O-]	ZINC000129388101	139814895	/nfs/dbraw/zinc/81/48/95/139814895.db2.gz	YUKBRUYVKDKASO-JTQLQIEISA-N	-1	0	279.292	1.011	40	0		CDABRM
CCNc1ccc(S(=O)(=O)NC(C)C)cc1C(=O)[O-]	ZINC000217709104	285623624	/nfs/dbraw/zinc/62/36/24/285623624.db2.gz	LJXXPKQUHAPESI-UHFFFAOYSA-N	-1	0	286.353	1.503	40	0		CDABRM
CC[C@]12C[C@H](c3ccccc3O1)[C@H](C(=O)[O-])C(=O)N2C	ZINC000005317946	288491864	/nfs/dbraw/zinc/49/18/64/288491864.db2.gz	YZUUVEQUJWFXQO-IFUGULHKSA-N	-1	0	275.304	1.832	40	0		CDABRM
Nc1ccc(S(=O)(=O)[N-]c2ccc(O)cn2)cc1	ZINC000005138942	170069940	/nfs/dbraw/zinc/06/99/40/170069940.db2.gz	XMCHHHBDBWYWSU-UHFFFAOYSA-N	-1	0	265.294	1.170	40	0		CDABRM
CC[C@H]1CN(C(=O)c2ccno2)CC[C@H]1CC(=O)[O-]	ZINC000005414813	170096595	/nfs/dbraw/zinc/09/65/95/170096595.db2.gz	XIEPDRSFBRGFPA-UWVGGRQHSA-N	-1	0	266.297	1.638	40	0	biogenic,in-vitro	CDABRM
C[C@@H]1CN(C(=O)N[C@H](C(=O)[O-])c2ccccc2)C[C@H](C)O1	ZINC000040530683	174316960	/nfs/dbraw/zinc/31/69/60/174316960.db2.gz	RNILUWUPUFKNBN-LOWVWBTDSA-N	-1	0	292.335	1.631	40	0		CDABRM
O=C([O-])[C@]1(NC(=O)OCc2ccccc2)CC1(F)F	ZINC000047845070	175414852	/nfs/dbraw/zinc/41/48/52/175414852.db2.gz	PMJPXVCYHODXGE-LLVKDONJSA-N	-1	0	271.219	1.775	40	0		CDABRM
CCOc1ccc(C)cc1S(=O)(=O)[N-]c1nnc[nH]1	ZINC000072414450	176398999	/nfs/dbraw/zinc/39/89/99/176398999.db2.gz	OHWMXXWECIZSFR-UHFFFAOYSA-N	-1	0	282.325	1.313	40	0		CDABRM
Cc1ccccc1OCc1noc(CCC(=O)[O-])n1	ZINC000078400898	177337678	/nfs/dbraw/zinc/33/76/78/177337678.db2.gz	JFRTZPSVZSYMBG-UHFFFAOYSA-N	-1	0	262.265	1.974	40	0		CDABRM
CC(C)n1c2ccc(S(=O)(=O)[O-])cc2oc1=O	ZINC000014000394	280761003	/nfs/dbraw/zinc/76/10/03/280761003.db2.gz	QIAKXXKAAOYZQJ-UHFFFAOYSA-N	-1	0	257.267	1.422	40	0		CDABRM
CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(Cl)nc21	ZINC000039290862	288696595	/nfs/dbraw/zinc/69/65/95/288696595.db2.gz	LJYJAEQCLXAHFQ-UHFFFAOYSA-N	-1	0	270.647	1.907	40	0		CDABRM
CN1CCN(c2c(N)cc(C(=O)[O-])cc2Cl)CC1	ZINC000070462668	290057207	/nfs/dbraw/zinc/05/72/07/290057207.db2.gz	AZFOKCBJQQEVPA-UHFFFAOYSA-N	-1	0	269.732	1.372	40	0		CDABRM
Cc1cc2c(c(=O)n1CC(=O)[O-])C=C1CCCC[C@H]1O2	ZINC000257225316	301436070	/nfs/dbraw/zinc/43/60/70/301436070.db2.gz	FFSFWZMTHSJUHN-GFCCVEGCSA-N	-1	0	275.304	1.960	40	0		CDABRM
Cc1nc2c(c(N3CCC[C@@H](C(=O)[O-])C3)n1)CCC2	ZINC000096516881	302648256	/nfs/dbraw/zinc/64/82/56/302648256.db2.gz	DAOHQXNGAPRRND-SNVBAGLBSA-N	-1	0	261.325	1.575	40	0		CDABRM
CCc1cc(C(=O)NCc2nc(C(=O)[O-])cs2)n(C)n1	ZINC000090932734	482520358	/nfs/dbraw/zinc/52/03/58/482520358.db2.gz	JUYTVOXOTOYGFW-UHFFFAOYSA-N	-1	0	294.336	1.067	40	0		CDABRM
CC[C@@H](C(=O)[O-])N(C)C(=O)c1ccc(OC)cc1F	ZINC000228705340	482896781	/nfs/dbraw/zinc/89/67/81/482896781.db2.gz	UEKJXOCSDKAGLK-NSHDSACASA-N	-1	0	269.272	1.770	40	0		CDABRM
COc1cc2c(=O)ccn(CC(=O)[O-])c2cc1OC	ZINC000062718725	522988095	/nfs/dbraw/zinc/98/80/95/522988095.db2.gz	ZHILDGIAADMYSR-UHFFFAOYSA-N	-1	0	263.249	1.103	40	0		CDABRM
Cc1ccc(C[C@@H]2SC[C@@H](C(=O)[O-])NC2=O)cc1Cl	ZINC000062712234	524668102	/nfs/dbraw/zinc/66/81/02/524668102.db2.gz	JJNFVSNGUSASIZ-QWRGUYRKSA-N	-1	0	299.779	1.876	40	0		CDABRM
CC(C)Cn1cc(I)c(C(=O)[O-])n1	ZINC000408716920	528711576	/nfs/dbraw/zinc/71/15/76/528711576.db2.gz	SQMSPTZUKPQBME-UHFFFAOYSA-N	-1	0	294.092	1.842	40	0		CDABRM
COCCNC(=S)Nc1cccc(C(=O)[O-])c1C	ZINC000408587993	230407102	/nfs/dbraw/zinc/40/71/02/230407102.db2.gz	VRMBFIWBLKVURU-UHFFFAOYSA-N	-1	0	268.338	1.626	40	0		CDABRM
O=c1cc(COc2ccccc2F)nc2[n-]cnn21	ZINC000018077166	342536777	/nfs/dbraw/zinc/53/67/77/342536777.db2.gz	SVGQJFBLPCYQAA-UHFFFAOYSA-N	-1	0	260.228	1.548	40	0		CDABRM
O=C([O-])c1ccc2[nH]c(CN3CCOCC3)nc2c1	ZINC000145495478	362295336	/nfs/dbraw/zinc/29/53/36/362295336.db2.gz	HDKYYRZULIAIII-UHFFFAOYSA-N	-1	0	261.281	1.093	40	0		CDABRM
CCc1nc2n(n1)[C@@H](c1ccncc1)CC(C(=O)[O-])=N2	ZINC000102334213	185774686	/nfs/dbraw/zinc/77/46/86/185774686.db2.gz	NGDQKBXUTCFUBK-SNVBAGLBSA-N	-1	0	271.280	1.219	40	0		CDABRM
CCCC[C@@H](CC)CNC(=O)[C@H]1[C@@H](C(=O)[O-])[C@H]2C=C[C@@H]1O2	ZINC000169700395	188662533	/nfs/dbraw/zinc/66/25/33/188662533.db2.gz	ZSKVQAPLQMBJCD-ITGHMWBKSA-N	-1	0	295.379	1.973	40	0		CDABRM
COc1cccc(N2C(=O)C[C@H](SCC(=O)[O-])C2=O)c1	ZINC000000805933	355922477	/nfs/dbraw/zinc/92/24/77/355922477.db2.gz	BRGJDUINXOCWBQ-JTQLQIEISA-N	-1	0	295.316	1.145	40	0		CDABRM
Nc1nonc1-c1nc2ccccc2n1CCC(=O)[O-]	ZINC000000117641	355889067	/nfs/dbraw/zinc/88/90/67/355889067.db2.gz	RYVKKLCJCLBMGI-UHFFFAOYSA-N	-1	0	273.252	1.143	40	0		CDABRM
CC(C)C[C@H](NC(=O)[C@H]([NH3+])c1ccccc1)C(=O)[O-]	ZINC000002560986	355974902	/nfs/dbraw/zinc/97/49/02/355974902.db2.gz	VJLOKXWMVJSDFY-NWDGAFQWSA-N	-1	0	264.325	1.302	40	0		CDABRM
O=C1CCc2c1cc(O)c1ccc(S(=O)(=O)[O-])cc21	ZINC000001703954	355949084	/nfs/dbraw/zinc/94/90/84/355949084.db2.gz	VBWAWINEMOJDDB-UHFFFAOYSA-N	-1	0	278.285	1.921	40	0		CDABRM
CN(CCC(=O)[O-])S(=O)(=O)Nc1ccc(Cl)cc1	ZINC000016188505	356433846	/nfs/dbraw/zinc/43/38/46/356433846.db2.gz	WOIYOQYVDLUTTA-UHFFFAOYSA-N	-1	0	292.744	1.403	40	0		CDABRM
CCC[C@H](C)NS(=O)(=O)c1cccc(C(=O)[O-])c1	ZINC000019387941	356483930	/nfs/dbraw/zinc/48/39/30/356483930.db2.gz	ADXHPJHFYNNJOA-VIFPVBQESA-N	-1	0	271.338	1.852	40	0		CDABRM
C[C@H](CO)n1[n-]c(-c2ccc(Cl)cc2F)cc1=O	ZINC000634617161	356579383	/nfs/dbraw/zinc/57/93/83/356579383.db2.gz	HRYXUCXQSGOCGT-SSDOTTSWSA-N	-1	0	270.691	1.796	40	0		CDABRM
Cc1nn([C@@H](C)C(=O)[O-])c(=O)c2cc3occc3n21	ZINC000032916974	356790687	/nfs/dbraw/zinc/79/06/87/356790687.db2.gz	CPUZLXLFXQUTKZ-LURJTMIESA-N	-1	0	261.237	1.196	40	0		CDABRM
COc1ccc(-c2nc(C(=O)[O-])cc(=O)[nH]2)cc1OC	ZINC000049470061	357217232	/nfs/dbraw/zinc/21/72/32/357217232.db2.gz	GIBHXJWOLHFEDJ-UHFFFAOYSA-N	-1	0	276.248	1.152	40	0		CDABRM
O=C([O-])[C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C(=O)Nc1nccs1	ZINC000015746528	357457737	/nfs/dbraw/zinc/45/77/37/357457737.db2.gz	RDPDUAPMZVKZPJ-UYXSQOIJSA-N	-1	0	266.322	1.829	40	0		CDABRM
Cc1ccc(S(=O)(=O)n2cccc2C(=O)[O-])cc1	ZINC000044491571	358034541	/nfs/dbraw/zinc/03/45/41/358034541.db2.gz	DQYUJWUNUUMULM-UHFFFAOYSA-N	-1	0	265.290	1.732	40	0		CDABRM
CCc1nc2n(n1)[C@@H](c1cccnc1)CC(C(=O)[O-])=N2	ZINC000102334207	358875861	/nfs/dbraw/zinc/87/58/61/358875861.db2.gz	TVTXWBJMJLTKRE-SNVBAGLBSA-N	-1	0	271.280	1.219	40	0		CDABRM
COc1ccc(-c2ncc(CCC(=O)[O-])c(=O)[nH]2)cc1	ZINC000223446742	359426592	/nfs/dbraw/zinc/42/65/92/359426592.db2.gz	YLRZGGWAMXASBB-UHFFFAOYSA-N	-1	0	274.276	1.463	40	0		CDABRM
C[C@H](Sc1n[nH]c(COc2ccccc2)n1)C(=O)[O-]	ZINC000224974841	359541393	/nfs/dbraw/zinc/54/13/93/359541393.db2.gz	CSXMCHKCOUIFRQ-QMMMGPOBSA-N	-1	0	279.321	1.949	40	0		CDABRM
CC(=O)c1cc(C(=O)[O-])c(=O)n(-c2ccccc2C)n1	ZINC000225965813	359635799	/nfs/dbraw/zinc/63/57/99/359635799.db2.gz	IQXBDTWTXHOPQE-UHFFFAOYSA-N	-1	0	272.260	1.442	40	0		CDABRM
Cn1cc([C@H]2N[C@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cn1	ZINC000575410983	364756495	/nfs/dbraw/zinc/75/64/95/364756495.db2.gz	VUMLUDMRDHGQIS-UONOGXRCSA-N	-1	0	296.330	1.590	40	0		CDABRM
O=C([O-])[C@H]1CC[C@@]2(C1)SCCCS2(=O)=O	ZINC000217906399	189712332	/nfs/dbraw/zinc/71/23/32/189712332.db2.gz	BVKGLKLPFMEBSW-IONNQARKSA-N	-1	0	250.341	1.119	40	0		CDABRM
CO[C@@H]1C(=O)N(c2ccccc2Cl)[C@@H]1C(=O)[O-]	ZINC000218277459	365258937	/nfs/dbraw/zinc/25/89/37/365258937.db2.gz	QNPDVSURVNJOPI-IUCAKERBSA-N	-1	0	255.657	1.155	40	0		CDABRM
COc1ccc(C[C@@H](NC(=O)OC(C)(C)C)C(=O)[O-])nc1	ZINC000016698155	366884242	/nfs/dbraw/zinc/88/42/42/366884242.db2.gz	UAQXYMNJNCIQAN-LLVKDONJSA-N	-1	0	296.323	1.611	40	0		CDABRM
COc1ccc(O)c(C(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C)c1	ZINC000263488737	370554211	/nfs/dbraw/zinc/55/42/11/370554211.db2.gz	IANYQNAREAYVLV-UWVGGRQHSA-N	-1	0	293.319	1.726	40	0		CDABRM
Cc1occc1S([O-])=CC(=O)N1C[C@H](C)O[C@@H](C)C1	ZINC000225563455	375164612	/nfs/dbraw/zinc/16/46/12/375164612.db2.gz	CVTUMPRCVQLRFO-ZPEMSAPTSA-N	-1	0	285.365	1.331	40	0		CDABRM
O=C([O-])C[C@H]1SC(=O)N(CCc2ccccc2)C1=O	ZINC000256055906	190005814	/nfs/dbraw/zinc/00/58/14/190005814.db2.gz	YSMAPUFPVLFWDV-SNVBAGLBSA-N	-1	0	279.317	1.768	40	0		CDABRM
O=C([O-])Cn1cc(NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)cn1	ZINC000402819793	412982860	/nfs/dbraw/zinc/98/28/60/412982860.db2.gz	NWJVXNOMZZNUSY-JFGNBEQYSA-N	-1	0	275.308	1.509	40	0		CDABRM
Cc1[nH]c(=O)c(C(=O)[O-])c(C)c1I	ZINC000096517590	390532622	/nfs/dbraw/zinc/53/26/22/390532622.db2.gz	ROORBZYKJGXHGJ-UHFFFAOYSA-N	-1	0	293.060	1.295	40	0		CDABRM
O=C([O-])c1ccn(-c2cc(N3CCCCCC3)ncn2)n1	ZINC000096517425	390533236	/nfs/dbraw/zinc/53/32/36/390533236.db2.gz	HYLJVWMMIBEQEF-UHFFFAOYSA-N	-1	0	287.323	1.741	40	0		CDABRM
CCS(=O)(=O)C1(c2nc(C(=O)[O-])cs2)CCC1	ZINC000096531970	390541924	/nfs/dbraw/zinc/54/19/24/390541924.db2.gz	WPEHHOCBVONIIV-UHFFFAOYSA-N	-1	0	275.351	1.655	40	0		CDABRM
O=S(=O)([O-])c1cncc(Cl)c1N1CCCCC1	ZINC000072210814	390618625	/nfs/dbraw/zinc/61/86/25/390618625.db2.gz	CQSLPOUEDUVHFM-UHFFFAOYSA-N	-1	0	276.745	1.972	40	0		CDABRM
COc1ccc2c(c1)c(O[C@H](C)C(=O)[O-])nn2C	ZINC000225774630	533305114	/nfs/dbraw/zinc/30/51/14/533305114.db2.gz	OEMGXLIPSRXGAG-SSDOTTSWSA-N	-1	0	250.254	1.434	40	0		CDABRM
CC(=O)Nc1ccc(O)c(C(=O)CCC(=O)[O-])c1	ZINC000034406819	391919985	/nfs/dbraw/zinc/91/99/85/391919985.db2.gz	PFGWKMQUMPPXDZ-UHFFFAOYSA-N	-1	0	251.238	1.398	40	0		CDABRM
CCOC(=O)c1ccc(NC(=O)Nc2nnn[n-]2)cc1	ZINC000006350484	170194836	/nfs/dbraw/zinc/19/48/36/170194836.db2.gz	WWUFAVDYMAMLHC-UHFFFAOYSA-N	-1	0	276.256	1.020	40	0		CDABRM
COCCNC(=S)c1ccc(OCC(=O)[O-])c(OC)c1	ZINC000009188153	170365488	/nfs/dbraw/zinc/36/54/88/170365488.db2.gz	GPOCVUIOMBBINY-UHFFFAOYSA-N	-1	0	299.348	1.070	40	0		CDABRM
Cc1ccc(F)c(NC(=O)[C@@H]2[C@H]3C=C[C@H](O3)[C@@H]2C(=O)[O-])c1	ZINC000017022560	170722138	/nfs/dbraw/zinc/72/21/38/170722138.db2.gz	YMOPOVATZPIQJF-XQHKEYJVSA-N	-1	0	291.278	1.727	40	0		CDABRM
COc1cc(C2=NO[C@H](C(=O)[O-])C2)cc(OC)c1OC	ZINC000020594112	171263252	/nfs/dbraw/zinc/26/32/52/171263252.db2.gz	GKTAYBRIPSZOSH-NSHDSACASA-N	-1	0	281.264	1.290	40	0		CDABRM
CC(C)(C)OC(=O)N1CC[C@H](n2cc(C(=O)[O-])cn2)C1	ZINC000072366192	176381197	/nfs/dbraw/zinc/38/11/97/176381197.db2.gz	QAEWMULSZLSBTP-JTQLQIEISA-N	-1	0	281.312	1.763	40	0		CDABRM
COC(=O)[C@]1(C(=O)[O-])C[C@@H]1c1ccccc1OC	ZINC000072406696	176397884	/nfs/dbraw/zinc/39/78/84/176397884.db2.gz	BOAVDWYZKSYJAB-NOZJJQNGSA-N	-1	0	250.250	1.427	40	0		CDABRM
CC[C@H]1CCc2ccccc2N1CC(=O)NCC(=O)[O-]	ZINC000262286520	288249007	/nfs/dbraw/zinc/24/90/07/288249007.db2.gz	XRHFBEOYXWDVKQ-LBPRGKRZSA-N	-1	0	276.336	1.419	40	0		CDABRM
CN(C)S(=O)(=O)c1cc(C(=O)[O-])cc2c1CCC2	ZINC000237100037	289266874	/nfs/dbraw/zinc/26/68/74/289266874.db2.gz	PUCIVVRRAMSHIY-UHFFFAOYSA-N	-1	0	269.322	1.124	40	0		CDABRM
CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)[O-])SC1	ZINC000225800214	333182578	/nfs/dbraw/zinc/18/25/78/333182578.db2.gz	IILRBGGJIHLPTL-JGVFFNPUSA-N	-1	0	261.343	1.860	40	0		CDABRM
Cc1nn(C)cc1-c1cc(C(=O)[O-])c2c(C)noc2n1	ZINC000036617505	518193753	/nfs/dbraw/zinc/19/37/53/518193753.db2.gz	RPKMKOCLGNVCMO-UHFFFAOYSA-N	-1	0	272.264	1.938	40	0		CDABRM
Cc1ccc(C[C@H]2SC[C@H](C(=O)[O-])NC2=O)cc1	ZINC000062712050	524688367	/nfs/dbraw/zinc/68/83/67/524688367.db2.gz	NKEIPURKFXEWBL-GHMZBOCLSA-N	-1	0	265.334	1.222	40	0		CDABRM
O=C([O-])[C@H]1CCCN(Cc2noc(C3CC3)n2)C1	ZINC000049337758	526322575	/nfs/dbraw/zinc/32/25/75/526322575.db2.gz	SCAQKXHEGVKZIP-VIFPVBQESA-N	-1	0	251.286	1.244	40	0		CDABRM
O=C([O-])[C@@H]1CC[C@H]2CN1C(=O)N2OCc1ccccc1	ZINC000098192875	1174625428	/nfs/dbraw/zinc/62/54/28/1174625428.db2.gz	UMHGLONVYIYIOU-RYUDHWBXSA-N	-1	0	276.292	1.471	40	0		CDABRM
O=C([O-])c1cccc(NCC[C@@H](O)C(F)(F)F)n1	ZINC000263381820	677872521	/nfs/dbraw/zinc/87/25/21/677872521.db2.gz	CQTRETGAARVCOH-SSDOTTSWSA-N	-1	0	264.203	1.505	40	0		CDABRM
Cc1cc(=O)c(C(=O)NC2(C(=O)[O-])CCCCCC2)c[nH]1	ZINC000235871293	678849030	/nfs/dbraw/zinc/84/90/30/678849030.db2.gz	ORQQWTCGEFLNEY-UHFFFAOYSA-N	-1	0	292.335	1.591	40	0		CDABRM
Cn1cc([C@@H]2C[C@@H](C(=O)[O-])CN(C(=O)C3(C)CC3)C2)cn1	ZINC000868454059	679376088	/nfs/dbraw/zinc/37/60/88/679376088.db2.gz	XLNAENTXGDOEGX-GHMZBOCLSA-N	-1	0	291.351	1.237	40	0		CDABRM
CC[C@@H](Sc1nnnn1-c1cccc(C)c1)C(=O)[O-]	ZINC000007871733	948770273	/nfs/dbraw/zinc/77/02/73/948770273.db2.gz	FSZLDWZLNIWFNJ-SNVBAGLBSA-N	-1	0	278.337	1.926	40	0		CDABRM
Cc1ccc(/C=C2/NC(=O)N(CC(=O)[O-])C2=O)s1	ZINC000408596034	230407416	/nfs/dbraw/zinc/40/74/16/230407416.db2.gz	YUTUVNNJDYLTSG-XBXARRHUSA-N	-1	0	266.278	1.034	40	0		CDABRM
CCN1C(=O)N[C@@H]2C[C@@]1(C)Oc1ccc(C(=O)[O-])cc12	ZINC000096530416	342166187	/nfs/dbraw/zinc/16/61/87/342166187.db2.gz	WBOBJACHLFUWDT-QMTHXVAHSA-N	-1	0	276.292	1.970	40	0		CDABRM
CCCCn1c(SCC(=O)[O-])nc2c1ncnc2N	ZINC000085390644	179047548	/nfs/dbraw/zinc/04/75/48/179047548.db2.gz	UBXFLRCZOOVRKW-UHFFFAOYSA-N	-1	0	281.341	1.385	40	0		CDABRM
COc1cc2c(cc1C[C@H]1SC(=O)[N-]C1=O)OCO2	ZINC000008114115	348733521	/nfs/dbraw/zinc/73/35/21/348733521.db2.gz	BFGAIFBTHZKKFO-SNVBAGLBSA-N	-1	0	281.289	1.318	40	0		CDABRM
O=C(Nc1cnccn1)c1c(=O)[nH]c2ccccc2c1[O-]	ZINC000170624624	304012369	/nfs/dbraw/zinc/01/23/69/304012369.db2.gz	HLYGZSCNHPGQFD-UHFFFAOYSA-N	-1	0	282.259	1.276	40	0		CDABRM
CO[N-]C(=O)C(=O)Nc1cc(F)ccc1Br	ZINC000134766635	187771025	/nfs/dbraw/zinc/77/10/25/187771025.db2.gz	UVFGJONSKAFSAV-UHFFFAOYSA-N	-1	0	291.076	1.204	40	0		CDABRM
COc1ccc(C[C@H](CC(=O)[O-])NC(C)=O)cc1	ZINC000001622452	355941624	/nfs/dbraw/zinc/94/16/24/355941624.db2.gz	ZJWTZHQSPGWTDN-LLVKDONJSA-N	-1	0	251.282	1.217	40	0		CDABRM
COc1ccc(/C=C2/NC(=O)[N-]C2=O)cc1Br	ZINC000000071201	355883367	/nfs/dbraw/zinc/88/33/67/355883367.db2.gz	CDRWPLGUTVESEU-VMPITWQZSA-N	-1	0	297.108	1.638	40	0		CDABRM
Cc1nc2ccccc2c(=O)n1[N-]C(=O)c1ccccn1	ZINC000001635924	355942965	/nfs/dbraw/zinc/94/29/65/355942965.db2.gz	RNYVKKOWKAVEAH-UHFFFAOYSA-N	-1	0	280.287	1.484	40	0		CDABRM
CCCCS(=O)(=O)[N-]C(=O)Nc1ccccc1	ZINC000001848634	355953895	/nfs/dbraw/zinc/95/38/95/355953895.db2.gz	WPHUEDNSMTZWSU-UHFFFAOYSA-N	-1	0	256.327	1.938	40	0		CDABRM
O=C([O-])[C@@H]1OCCN1C(=O)OCc1ccccc1	ZINC000012359350	356294846	/nfs/dbraw/zinc/29/48/46/356294846.db2.gz	VJXGRDRAOJIYHI-JTQLQIEISA-N	-1	0	251.238	1.066	40	0		CDABRM
CC[C@@H](C)NC(=O)COc1cc(C)ccc1C(=O)[O-]	ZINC000013034410	356336034	/nfs/dbraw/zinc/33/60/34/356336034.db2.gz	DEOVPZXGUULCDV-SNVBAGLBSA-N	-1	0	265.309	1.987	40	0		CDABRM
COc1ccc(S(=O)(=O)[N-]c2ccccc2O)cc1N	ZINC000017043724	356452606	/nfs/dbraw/zinc/45/26/06/356452606.db2.gz	JGFCCKWQVBCCLS-UHFFFAOYSA-N	-1	0	294.332	1.784	40	0		CDABRM
CN1CC[NH+]([C@H](Cc2cccc(Cl)c2)C(=O)[O-])CC1	ZINC000057590986	357361180	/nfs/dbraw/zinc/36/11/80/357361180.db2.gz	XMHREQBOBGVABC-CYBMUJFWSA-N	-1	0	282.771	1.583	40	0		CDABRM
CO[C@H]1CC[C@](NC(=O)OC(C)(C)C)(C(=O)[O-])C1	ZINC000199551179	358082824	/nfs/dbraw/zinc/08/28/24/358082824.db2.gz	QTVILWKSHUHYPB-QPUJVOFHSA-N	-1	0	259.302	1.533	40	0		CDABRM
O=C([O-])[C@H]1C[C@@]12c1ccccc1N(CC1CC1)C2=O	ZINC000096243470	358724952	/nfs/dbraw/zinc/72/49/52/358724952.db2.gz	ZDDGMDKINHMITI-IAQYHMDHSA-N	-1	0	257.289	1.786	40	0		CDABRM
Cc1cc(C)c(Cc2ncc(C(=O)[O-])c(=O)[nH]2)cc1C	ZINC000225009238	359544032	/nfs/dbraw/zinc/54/40/32/359544032.db2.gz	UEBYHDXBXXRRJU-UHFFFAOYSA-N	-1	0	272.304	1.984	40	0		CDABRM
C/C(CO)=C1/CC[C@]23CO[C@H](C2)[C@@](O)(C(=O)[O-])CC[C@@H]13	ZINC000031156139	359633202	/nfs/dbraw/zinc/63/32/02/359633202.db2.gz	QYINOGPWFQBOJX-XFDGYBJFSA-N	-1	0	282.336	1.090	40	0	biogenic,in-vitro	CDABRM
CC(C)(O)[C@@]1(O)[C@@H](O)C[C@@]2(C)CC=C(C(=O)[O-])CC[C@@H]21	ZINC000514288141	360124311	/nfs/dbraw/zinc/12/43/11/360124311.db2.gz	QUIVGWOGXNIYFU-AZHAFVHUSA-N	-1	0	284.352	1.070	40	0	biogenic,in-vitro	CDABRM
COC(=O)C1=C([O-])c2ccccc2CC[C@H]2COC(=O)[C@@H]12	ZINC000005248378	364826158	/nfs/dbraw/zinc/82/61/58/364826158.db2.gz	IBJPSMRMSTWFON-CYZMBNFOSA-N	-1	0	288.299	1.394	40	0		CDABRM
O=C([O-])[C@@]1(C(F)(F)F)CCN(C(=O)[C@@H]2CCCCO2)C1	ZINC000111239978	304163131	/nfs/dbraw/zinc/16/31/31/304163131.db2.gz	YWZBHRDLESGXKA-GZMMTYOYSA-N	-1	0	295.257	1.421	40	0		CDABRM
COc1ccccc1OC([O-])=NC(=O)C(F)(F)F	ZINC000003213108	375589829	/nfs/dbraw/zinc/58/98/29/375589829.db2.gz	HKHNJKVSMVQMPO-UHFFFAOYSA-N	-1	0	263.171	1.873	40	0		CDABRM
CCOC(=O)c1c(N)sc2c1C[C@@H](C(=O)[O-])C2	ZINC000217900330	375757296	/nfs/dbraw/zinc/75/72/96/375757296.db2.gz	WZKBNFLPROXZPT-RXMQYKEDSA-N	-1	0	255.295	1.306	40	0		CDABRM
O=C([O-])[C@H]1C[C@@H]1S(=O)(=O)c1ccc(Cl)cc1	ZINC000218004302	375775737	/nfs/dbraw/zinc/77/57/37/375775737.db2.gz	ULVYOCNOCGILRF-IUCAKERBSA-N	-1	0	260.698	1.587	40	0		CDABRM
O=C([O-])c1ccc(-n2ccc(=O)cc2)cc1C(=O)[O-]	ZINC000258024457	190038458	/nfs/dbraw/zinc/03/84/58/190038458.db2.gz	NTUOVEDJBXGBQU-UHFFFAOYSA-O	-1	0	260.225	1.065	40	0		CDABRM
Cc1ccc(OCc2nnc([N-]S(C)(=O)=O)s2)cc1	ZINC000041107549	379328311	/nfs/dbraw/zinc/32/83/11/379328311.db2.gz	IGASPDVFVLALSR-UHFFFAOYSA-N	-1	0	299.377	1.797	40	0		CDABRM
CCOc1ccc(-c2nnn(CCC(=O)[O-])n2)cc1OC	ZINC000000416894	169635259	/nfs/dbraw/zinc/63/52/59/169635259.db2.gz	LCFQHLVODPFRSY-UHFFFAOYSA-N	-1	0	292.295	1.222	40	0		CDABRM
C[C@@H]1CCCN(S(=O)(=O)c2ccsc2C(=O)[O-])C1	ZINC000015424060	296399698	/nfs/dbraw/zinc/39/96/98/296399698.db2.gz	AFERIANLEUMHED-MRVPVSSYSA-N	-1	0	289.378	1.867	40	0		CDABRM
O=C([O-])[C@H]1CCN(c2cc(C(F)(F)F)ncn2)C1	ZINC000096516856	390531464	/nfs/dbraw/zinc/53/14/64/390531464.db2.gz	NADDQDSAZNKBAR-LURJTMIESA-N	-1	0	261.203	1.406	40	0		CDABRM
Cc1nc(C2(S(C)(=O)=O)CC2)sc1C(=O)[O-]	ZINC000096531949	390541786	/nfs/dbraw/zinc/54/17/86/390541786.db2.gz	UWPYRTSKFIYBFV-UHFFFAOYSA-N	-1	0	261.324	1.183	40	0		CDABRM
O=C([O-])Cn1cnc(-c2cccc(Cl)c2)cc1=O	ZINC000096530981	390542758	/nfs/dbraw/zinc/54/27/58/390542758.db2.gz	RUHFKQQXJZNWKH-UHFFFAOYSA-N	-1	0	264.668	1.648	40	0		CDABRM
Cc1cc([N-]S(=O)(=O)c2ccc(N)cc2)sn1	ZINC000000002107	390595878	/nfs/dbraw/zinc/59/58/78/390595878.db2.gz	JVYKJZPZFIUYAB-UHFFFAOYSA-N	-1	0	269.351	1.835	40	0	in-man	CDABRM
Nc1cc(S(=O)(=O)[O-])cc(-c2ccccc2)c1O	ZINC000070461135	390606872	/nfs/dbraw/zinc/60/68/72/390606872.db2.gz	NOYWXYPTLDJORU-UHFFFAOYSA-N	-1	0	265.290	1.888	40	0		CDABRM
COCCOc1cc(C(=O)[O-])nn1-c1ccccc1	ZINC000072209294	390616484	/nfs/dbraw/zinc/61/64/84/390616484.db2.gz	QPVXSLSOPAFYCW-UHFFFAOYSA-N	-1	0	262.265	1.596	40	0		CDABRM
CCOC(=O)c1c(OC)cc(C(=O)[O-])cc1OC	ZINC000004787675	170017734	/nfs/dbraw/zinc/01/77/34/170017734.db2.gz	VZUQFEJRUITTHS-UHFFFAOYSA-N	-1	0	254.238	1.579	40	0		CDABRM
CS(=O)(=O)c1nc(Cl)c2nc(Cl)nc-2[n-]1	ZINC000006408201	170198973	/nfs/dbraw/zinc/19/89/73/170198973.db2.gz	ZXMUWVJURKZWDK-UHFFFAOYSA-N	-1	0	267.097	1.015	40	0		CDABRM
O=C([O-])[C@H]1[C@H]2C=C[C@H](CC2)[C@@H]1C(=O)NCc1ccncc1	ZINC000006714181	170231533	/nfs/dbraw/zinc/23/15/33/170231533.db2.gz	XKEZKORDMGWVRH-RFGFWPKPSA-N	-1	0	286.331	1.611	40	0		CDABRM
CCOc1cccc(/C=C/[N+](=O)[O-])c1OCC(=O)[O-]	ZINC000009235700	170367920	/nfs/dbraw/zinc/36/79/20/170367920.db2.gz	SCJKPSJOACENJS-VOTSOKGWSA-N	-1	0	267.237	1.796	40	0		CDABRM
CC(C)CC(=O)NC(=S)NCc1ccc(C(=O)[O-])cc1	ZINC000020151375	171037626	/nfs/dbraw/zinc/03/76/26/171037626.db2.gz	SRGDKHDWWGPRRR-UHFFFAOYSA-N	-1	0	294.376	1.922	40	0		CDABRM
C[C@@H]1CO[C@@H](C)CN1CCNc1ncccc1C(=O)[O-]	ZINC000662884594	413655754	/nfs/dbraw/zinc/65/57/54/413655754.db2.gz	WORWNBDWBPWOLA-MNOVXSKESA-N	-1	0	279.340	1.301	40	0		CDABRM
CCC[C@H](C)c1cc(=NC(=O)[C@@H](C)C(=O)[O-])[nH][nH]1	ZINC000574572504	295020719	/nfs/dbraw/zinc/02/07/19/295020719.db2.gz	XUCGQNYRESTRDQ-JGVFFNPUSA-N	-1	0	253.302	1.394	40	0		CDABRM
C[C@@H]1Oc2cc(Cl)ccc2N(CCC(=O)[O-])C1=O	ZINC000084802693	297652769	/nfs/dbraw/zinc/65/27/69/297652769.db2.gz	WGIJTOBDRXMBNU-ZETCQYMHSA-N	-1	0	269.684	1.929	40	0		CDABRM
Cc1cc2c(c(=O)n1CC(=O)[O-])C=C[C@H](C(C)C)O2	ZINC000257235499	301436106	/nfs/dbraw/zinc/43/61/06/301436106.db2.gz	GYDCJZWXOINDNO-LLVKDONJSA-N	-1	0	263.293	1.672	40	0		CDABRM
Cc1nc(C(=O)[O-])ccc1I	ZINC000071256525	302559068	/nfs/dbraw/zinc/55/90/68/302559068.db2.gz	DPYONZXOHOYLEJ-UHFFFAOYSA-N	-1	0	263.034	1.693	40	0		CDABRM
CC(C)C[C@]1(C)CC(=O)N(CCCC(=O)[O-])C1=O	ZINC000064876052	519423685	/nfs/dbraw/zinc/42/36/85/519423685.db2.gz	RTTIMNTUVAJGGV-CYBMUJFWSA-N	-1	0	255.314	1.663	40	0		CDABRM
Cn1c(SCC(=O)[O-])nnc1-c1c(F)cccc1F	ZINC000116937238	534707751	/nfs/dbraw/zinc/70/77/51/534707751.db2.gz	ZGBXFUJOEAQCDO-UHFFFAOYSA-N	-1	0	285.275	1.937	40	0		CDABRM
COc1ccc(CN2C[C@@H](C(=O)[O-])CCC2=O)cc1OC	ZINC000050919588	524040540	/nfs/dbraw/zinc/04/05/40/524040540.db2.gz	KDOAAUBTSIPSAW-NSHDSACASA-N	-1	0	293.319	1.527	40	0		CDABRM
C[C@H]1CC[C@H](CCC(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])O1	ZINC000237561586	524402914	/nfs/dbraw/zinc/40/29/14/524402914.db2.gz	NDBMWOOLDOPAMM-WHOHXGKFSA-N	-1	0	269.341	1.704	40	0		CDABRM
Cc1ccc(C[C@@H]2SC[C@H](C(=O)[O-])NC2=O)cc1C	ZINC000062712089	524668624	/nfs/dbraw/zinc/66/86/24/524668624.db2.gz	IZZHGKZKQSZYFV-NEPJUHHUSA-N	-1	0	279.361	1.531	40	0		CDABRM
C[C@@H]1C(=O)C[C@@H]2[C@H]3[C@@H](O)C[C@H](C(=O)[O-])[C@]21CC3(C)C	ZINC000248335172	682821102	/nfs/dbraw/zinc/82/11/02/682821102.db2.gz	MNWVNHAXLQLPLU-PMIVGMOYSA-N	-1	0	266.337	1.709	40	0	biogenic,in-vitro	CDABRM
O=C([N-]N1C(=O)CC2(CCCC2)C1=O)c1cccs1	ZINC000071924286	342146471	/nfs/dbraw/zinc/14/64/71/342146471.db2.gz	OSYCSIGSZOMWLF-UHFFFAOYSA-N	-1	0	278.333	1.712	40	0		CDABRM
O=C([O-])[C@@H]1CCN(c2cc(-c3ccccc3)[nH]n2)C1	ZINC000096517185	342165870	/nfs/dbraw/zinc/16/58/70/342165870.db2.gz	DWIOWKHGVYAFSD-LLVKDONJSA-N	-1	0	257.293	1.988	40	0		CDABRM
COc1cccc([C@H]2OC(=O)C[C@H]2C(=O)[O-])c1OC	ZINC000085394073	179048447	/nfs/dbraw/zinc/04/84/47/179048447.db2.gz	YETPCHIJGJYLFH-LDYMZIIASA-N	-1	0	266.249	1.393	40	0		CDABRM
C[C@@H](O)SC[C@@H](NC(=O)OC(C)(C)C)C(=O)[O-]	ZINC000584577587	346367409	/nfs/dbraw/zinc/36/74/09/346367409.db2.gz	JHRAIPMYFUCDOC-NKWVEPMBSA-N	-1	0	265.331	1.036	40	0		CDABRM
O=C([O-])[C@H](NC(=O)c1ccccc1)ON1CCCCC1	ZINC000001569067	355939883	/nfs/dbraw/zinc/93/98/83/355939883.db2.gz	QFEDOIIQCZRAAW-CYBMUJFWSA-N	-1	0	278.308	1.245	40	0		CDABRM
CC(C)C[C@H](NC(=O)C(C)(Cl)Cl)C(=O)[O-]	ZINC000001672179	355946465	/nfs/dbraw/zinc/94/64/65/355946465.db2.gz	NJGYGQFZAQSKNN-LURJTMIESA-N	-1	0	256.129	1.796	40	0		CDABRM
COC(=O)/C(=C\c1ccc(OC)cc1)CC(=O)[O-]	ZINC000001734789	355950959	/nfs/dbraw/zinc/95/09/59/355950959.db2.gz	JCZVRPGUXODGAO-YFHOEESVSA-N	-1	0	250.250	1.726	40	0		CDABRM
CC(=O)Oc1cc(S(=O)(=O)[O-])c2cc(N)ccc2c1N	ZINC000003844719	356009823	/nfs/dbraw/zinc/00/98/23/356009823.db2.gz	LXUGLPFBGOZRQO-UHFFFAOYSA-N	-1	0	296.304	1.176	40	0		CDABRM
COC(=O)[C@@]1(C)C[C@H](C(=O)[O-])[C@H](c2ccc(F)cc2)N1C	ZINC000008730142	356153552	/nfs/dbraw/zinc/15/35/52/356153552.db2.gz	CNASGDLXRTYKQU-SLEUVZQESA-N	-1	0	295.310	1.835	40	0		CDABRM
O=C([O-])[C@@H]1CC(c2ccc(Br)cc2)=NN1	ZINC000012651514	356316212	/nfs/dbraw/zinc/31/62/12/356316212.db2.gz	WQZBWDKFAAWVFZ-VIFPVBQESA-N	-1	0	269.098	1.600	40	0		CDABRM
COc1cc(OC)cc(C2=Nn3c(=S)[n-]nc3NN2)c1	ZINC000016983309	356450474	/nfs/dbraw/zinc/45/04/74/356450474.db2.gz	YYADUYCELRPFKC-UHFFFAOYSA-N	-1	0	292.324	1.098	40	0		CDABRM
CC(=O)N[C@H](CSCc1ccc(C)cc1)C(=O)[O-]	ZINC000016292492	356435664	/nfs/dbraw/zinc/43/56/64/356435664.db2.gz	GIZNISHGKBUYFW-GFCCVEGCSA-N	-1	0	267.350	1.818	40	0		CDABRM
O=C([O-])c1ccc(NC(=O)OCc2ccccc2)nn1	ZINC000042684442	357075906	/nfs/dbraw/zinc/07/59/06/357075906.db2.gz	KVFWTVOPDZLMAY-UHFFFAOYSA-N	-1	0	273.248	1.924	40	0		CDABRM
COCCc1nc(N)cc(Nc2ccc(C(=O)[O-])cc2)n1	ZINC000049467795	357216413	/nfs/dbraw/zinc/21/64/13/357216413.db2.gz	GLLXCODJIZQIGI-UHFFFAOYSA-N	-1	0	288.307	1.690	40	0		CDABRM
COc1ccccc1N1C(=O)C[C@H](SCC(=O)[O-])C1=O	ZINC000100855940	358836108	/nfs/dbraw/zinc/83/61/08/358836108.db2.gz	SWWBXFOJGYARJJ-JTQLQIEISA-N	-1	0	295.316	1.145	40	0		CDABRM
O=C([O-])C1=Nc2ncnn2[C@H](/C=C/c2ccccc2)C1	ZINC000102243663	358873696	/nfs/dbraw/zinc/87/36/96/358873696.db2.gz	IXMGNHULXBXBDU-XUIVZRPNSA-N	-1	0	268.276	1.927	40	0		CDABRM
O=C([O-])c1cnc(CC(=O)Nc2ccc(F)cc2)nc1	ZINC000217353306	358994966	/nfs/dbraw/zinc/99/49/66/358994966.db2.gz	GLXMCULKHFXPOU-UHFFFAOYSA-N	-1	0	275.239	1.495	40	0		CDABRM
CC[C@](CNC(=O)[C@H]1CCOC1)(C(=O)[O-])c1ccccc1	ZINC000262928947	359200524	/nfs/dbraw/zinc/20/05/24/359200524.db2.gz	GEWYMXHUPMHUKV-BLLLJJGKSA-N	-1	0	291.347	1.572	40	0		CDABRM
Cc1ccc(Cl)cc1-n1c(=O)cc(C(=O)[O-])[nH]c1=O	ZINC000222649639	359362484	/nfs/dbraw/zinc/36/24/84/359362484.db2.gz	PETKONSFXFHAGQ-UHFFFAOYSA-N	-1	0	280.667	1.186	40	0		CDABRM
CO[C@](C)(C(=O)Nc1ccc(OCC(=O)[O-])cc1)C1CC1	ZINC000225642982	359605545	/nfs/dbraw/zinc/60/55/45/359605545.db2.gz	LHQXEPYRKFCIOJ-HNNXBMFYSA-N	-1	0	293.319	1.904	40	0		CDABRM
Nc1c(-c2ccccc2)nc(Cl)c2c(=O)[n-][nH]c(=O)c12	ZINC000005117423	360208164	/nfs/dbraw/zinc/20/81/64/360208164.db2.gz	ABEDICJFYSFCHB-UHFFFAOYSA-N	-1	0	288.694	1.926	40	0		CDABRM
Cc1nn(C)c(Cl)c1/C=C/C(=O)NC[C@@H](C)C(=O)[O-]	ZINC000054310876	360494465	/nfs/dbraw/zinc/49/44/65/360494465.db2.gz	JXKCIFJVUGSROO-SMMXGFFBSA-N	-1	0	285.731	1.232	40	0		CDABRM
COC[C@]1(C(=O)[O-])C[C@H]1S(=O)(=O)c1ccc(C)cc1	ZINC000217992499	360648108	/nfs/dbraw/zinc/64/81/08/360648108.db2.gz	DVQIKIPZFVCAGG-DGCLKSJQSA-N	-1	0	284.333	1.258	40	0		CDABRM
CC(C)(C)OC(=O)N[C@H]1Cc2[nH]nc(C(=O)[O-])c2C1	ZINC000217917581	189712107	/nfs/dbraw/zinc/71/21/07/189712107.db2.gz	ZBRBYNTZZKSBOO-ZCFIWIBFSA-N	-1	0	267.285	1.100	40	0		CDABRM
O=C([O-])CCn1cc(NC2=NCCCCC2)cn1	ZINC000217814148	367258366	/nfs/dbraw/zinc/25/83/66/367258366.db2.gz	ONBANUDFMTXSEG-UHFFFAOYSA-N	-1	0	250.302	1.742	40	0		CDABRM
C[C@@H]1C(=O)C[C@@H]2[C@H]3CC[C@@H](C(=O)[O-])[C@]21C[C@]3(C)CO	ZINC000252679726	372285993	/nfs/dbraw/zinc/28/59/93/372285993.db2.gz	QIYQVTNAEPQSBX-KCJAEPBISA-N	-1	0	266.337	1.711	40	0	biogenic,in-vitro	CDABRM
CC(C)(C)OC(=O)N1[C@H](C(=O)[O-])COCC1(C)C	ZINC000217465847	375650909	/nfs/dbraw/zinc/65/09/09/375650909.db2.gz	WFYMRFYVQIWKOD-QMMMGPOBSA-N	-1	0	259.302	1.486	40	0		CDABRM
CC[C@H](C)C(=O)NCCc1n[nH]c(=S)n1C1CC1	ZINC000067079009	376804774	/nfs/dbraw/zinc/80/47/74/376804774.db2.gz	KIKXUKYUKZQRDH-QMMMGPOBSA-N	-1	0	268.386	1.980	40	0		CDABRM
COc1c2occc2c(S(=O)(=O)[O-])c2ccc(=O)oc12	ZINC000001593966	390139738	/nfs/dbraw/zinc/13/97/38/390139738.db2.gz	BAVIZULIKJVHFO-UHFFFAOYSA-N	-1	0	296.256	1.795	40	0		CDABRM
Cn1nc(C(=O)N2CC[C@H](C(=O)[O-])C2)c2ccccc21	ZINC000096517460	390533404	/nfs/dbraw/zinc/53/34/04/390533404.db2.gz	UGNGTZZYFNIAHF-VIFPVBQESA-N	-1	0	273.292	1.120	40	0		CDABRM
C[C@@H]1CCc2nnc(N3CCC[C@H](C(=O)[O-])C3)cc2C1	ZINC000096530187	390541700	/nfs/dbraw/zinc/54/17/00/390541700.db2.gz	LNFIFQHEMHZVCP-MNOVXSKESA-N	-1	0	275.352	1.902	40	0		CDABRM
CS(=O)(=O)C1(c2nc(C(=O)[O-])cs2)CCC1	ZINC000096531956	390541986	/nfs/dbraw/zinc/54/19/86/390541986.db2.gz	FFUQUENJYJHOJT-UHFFFAOYSA-N	-1	0	261.324	1.265	40	0		CDABRM
COc1cccc(-c2cc(=O)n(CC(=O)[O-])cn2)c1	ZINC000096530983	390542674	/nfs/dbraw/zinc/54/26/74/390542674.db2.gz	HZNVALBUMKUYOA-UHFFFAOYSA-N	-1	0	260.249	1.004	40	0		CDABRM
CCOC(=O)c1cc(=O)n(-c2ccccc2F)[n-]1	ZINC000045929878	391542033	/nfs/dbraw/zinc/54/20/33/391542033.db2.gz	HJDMEZMSPDPWMC-UHFFFAOYSA-N	-1	0	250.229	1.894	40	0		CDABRM
CCS(=O)(=O)[C@@H]1[C@H](C(=O)[O-])[C@H]1c1cccc(Cl)c1	ZINC000252516486	392798154	/nfs/dbraw/zinc/79/81/54/392798154.db2.gz	STHHUKPIHANDDI-MXWKQRLJSA-N	-1	0	288.752	1.941	40	0		CDABRM
CCOc1cccc(/C=C/C(=O)NCCC(=O)[O-])c1	ZINC000062715387	392802423	/nfs/dbraw/zinc/80/24/23/392802423.db2.gz	HDZKYPGEXADSRR-VOTSOKGWSA-N	-1	0	263.293	1.689	40	0		CDABRM
CCCN1C(=O)CCc2cc(OCC(=O)[O-])ccc21	ZINC000218784688	392977783	/nfs/dbraw/zinc/97/77/83/392977783.db2.gz	WPHGPIJMTRFJST-UHFFFAOYSA-N	-1	0	263.293	1.839	40	0		CDABRM
O=C([O-])[C@@H]1[C@@H](C(=O)NCc2ccc(F)cc2)[C@H]2CC[C@@H]1O2	ZINC000005094734	170065795	/nfs/dbraw/zinc/06/57/95/170065795.db2.gz	DQLLUVBHRLNJGL-VOAKCMCISA-N	-1	0	293.294	1.320	40	0		CDABRM
O=C([O-])CSc1n[nH]c(-c2ccccc2O)n1	ZINC000006513997	170208231	/nfs/dbraw/zinc/20/82/31/170208231.db2.gz	ORCNSSUJAAOUTO-UHFFFAOYSA-N	-1	0	251.267	1.354	40	0		CDABRM
COc1ccc([C@@H]2CC(=O)NC(C)=C2C(=O)[O-])c(OC)c1	ZINC000044563684	175207787	/nfs/dbraw/zinc/20/77/87/175207787.db2.gz	CAQWSAICPUXSEW-NSHDSACASA-N	-1	0	291.303	1.666	40	0		CDABRM
Cn1cnc(C(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)c1	ZINC000653328163	424432001	/nfs/dbraw/zinc/43/20/01/424432001.db2.gz	FHODRNQHSIGEKB-RYUDHWBXSA-N	-1	0	285.303	1.463	40	0		CDABRM
COc1ccc(NC(=O)[C@H](CC(=O)[O-])[C@H]2CCCO2)cc1	ZINC000005249238	295161485	/nfs/dbraw/zinc/16/14/85/295161485.db2.gz	OIUDQFMGCUOGOV-CHWSQXEVSA-N	-1	0	293.319	1.904	40	0		CDABRM
COc1ccc2c(c1)c(NC(C)=O)c(C(=O)[O-])n2C	ZINC000006857016	295276915	/nfs/dbraw/zinc/27/69/15/295276915.db2.gz	AFNIBNMXMLVJKH-UHFFFAOYSA-N	-1	0	262.265	1.844	40	0		CDABRM
COC[C@@](C)(CC(=O)[O-])NC(=O)c1ccsc1	ZINC000237199930	601298926	/nfs/dbraw/zinc/29/89/26/601298926.db2.gz	UNAGAGVLFBHUSX-LLVKDONJSA-N	-1	0	257.311	1.358	40	0		CDABRM
O=C([O-])CCC(=O)Nc1nc(C(F)(F)F)c[nH]1	ZINC000842683936	937071937	/nfs/dbraw/zinc/07/19/37/937071937.db2.gz	UDHOMAVWQJKCGS-UHFFFAOYSA-N	-1	0	251.164	1.232	40	0		CDABRM
COC[C@@]1(C(=O)[O-])CCCN1C(=O)[C@H]1Cc2ccccc21	ZINC000643849111	361931162	/nfs/dbraw/zinc/93/11/62/361931162.db2.gz	SVLNAXSTZHRTHI-XJKSGUPXSA-N	-1	0	289.331	1.419	40	0		CDABRM
C[C@H](NC(=O)c1ccc(F)cc1[O-])c1cnn(C)c1	ZINC000164075731	361996187	/nfs/dbraw/zinc/99/61/87/361996187.db2.gz	RLSVWQXUOWDGOW-QMMMGPOBSA-N	-1	0	263.272	1.756	40	0		CDABRM
CC[C@H](C(=O)OC(C)(C)C)n1cc(C(=O)[O-])cn1	ZINC000408715954	365727991	/nfs/dbraw/zinc/72/79/91/365727991.db2.gz	HDSQRYLJPZCQSX-SECBINFHSA-N	-1	0	254.286	1.874	40	0		CDABRM
C[C@@H]1[C@H](C(=O)[O-])[NH2+][C@H](c2ccc(Cl)cc2)[C@H]1C(=O)[O-]	ZINC000253603311	345230955	/nfs/dbraw/zinc/23/09/55/345230955.db2.gz	CWSJTEZWAJPIKN-BOWGKDCGSA-N	-1	0	283.711	1.774	40	0		CDABRM
O=C([O-])Cn1nnc2c1cccc2Br	ZINC000085385120	179046455	/nfs/dbraw/zinc/04/64/55/179046455.db2.gz	UVVCMQJREJNBPR-UHFFFAOYSA-N	-1	0	256.059	1.278	40	0		CDABRM
Cc1cccc(-n2nc(C(=O)[O-])c(N3CCOCC3)n2)c1	ZINC000256047979	350908285	/nfs/dbraw/zinc/90/82/85/350908285.db2.gz	PUILHOJKAHVUQB-UHFFFAOYSA-N	-1	0	288.307	1.111	40	0		CDABRM
O=C([O-])[C@H]1CCN(C(=O)c2n[nH]c3ccccc32)C1	ZINC000062117387	363002064	/nfs/dbraw/zinc/00/20/64/363002064.db2.gz	BBGXHYOVEXUWTC-QMMMGPOBSA-N	-1	0	259.265	1.110	40	0		CDABRM
O=P([O-])([O-])c1ccc(I)cc1	ZINC000001725594	355949508	/nfs/dbraw/zinc/94/95/08/355949508.db2.gz	JYYQBKVHXNUMJT-UHFFFAOYSA-N	-1	0	283.989	1.094	40	0		CDABRM
Cc1ccc(S(=O)(=O)[N-]c2ncc(C=O)cn2)cc1	ZINC000014608608	356084222	/nfs/dbraw/zinc/08/42/22/356084222.db2.gz	PKYOPERMPBYCNT-UHFFFAOYSA-N	-1	0	277.305	1.398	40	0		CDABRM
COc1ccc(CN2C(=O)CC[C@@H]2C(=O)[O-])c(OC)c1	ZINC000011727246	356277944	/nfs/dbraw/zinc/27/79/44/356277944.db2.gz	QNJLHZAJJQFNCE-LLVKDONJSA-N	-1	0	279.292	1.279	40	0		CDABRM
O=C([O-])[C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C(=O)Nc1nncs1	ZINC000015746533	356423570	/nfs/dbraw/zinc/42/35/70/356423570.db2.gz	ITKCCXPWRNSEHE-FKSUSPILSA-N	-1	0	267.310	1.224	40	0		CDABRM
COc1ccc(CC2C(=O)N=CN=C2[O-])cc1OC	ZINC000016227469	356434930	/nfs/dbraw/zinc/43/49/30/356434930.db2.gz	KKIQNQBNLGFBRU-UHFFFAOYSA-N	-1	0	262.265	1.084	40	0		CDABRM
C[C@H](Nc1ccccc1C(=O)N1CCOCC1)C(=O)[O-]	ZINC000034797521	356820520	/nfs/dbraw/zinc/82/05/20/356820520.db2.gz	QFZJTUDGIVNTLB-JTQLQIEISA-N	-1	0	278.308	1.044	40	0		CDABRM
O=C([O-])c1cc(=O)[nH]c(Cc2ccc(Cl)cc2)n1	ZINC000049470081	357217681	/nfs/dbraw/zinc/21/76/81/357217681.db2.gz	YBVDKAKFTMNYFD-UHFFFAOYSA-N	-1	0	264.668	1.712	40	0		CDABRM
Cc1cc2c(N3CCC[C@H](C(=O)[O-])C3)nccn2n1	ZINC000096516374	357522229	/nfs/dbraw/zinc/52/22/29/357522229.db2.gz	PQVIZGFPKDZRJN-JTQLQIEISA-N	-1	0	260.297	1.339	40	0		CDABRM
CCc1cc(-c2nnc(CCC(=O)[O-])o2)n(C)n1	ZINC000096298955	358731247	/nfs/dbraw/zinc/73/12/47/358731247.db2.gz	LNKAEPQITWDXGL-UHFFFAOYSA-N	-1	0	250.258	1.050	40	0		CDABRM
CSc1nccc(N2CCC[C@@H](C(=O)[O-])C2)n1	ZINC000072203491	359049445	/nfs/dbraw/zinc/04/94/45/359049445.db2.gz	HLPZXYBRXYJGJV-MRVPVSSYSA-N	-1	0	253.327	1.500	40	0		CDABRM
CCN(CC)C(=O)c1sc([N-]S(C)(=O)=O)nc1C	ZINC000225878358	359628005	/nfs/dbraw/zinc/62/80/05/359628005.db2.gz	WJXHXKASDIWEJV-UHFFFAOYSA-N	-1	0	291.398	1.305	40	0		CDABRM
CCCS(=O)(=O)N(CC)c1ccccc1C(=O)[O-]	ZINC000011804534	360322247	/nfs/dbraw/zinc/32/22/47/360322247.db2.gz	LKWFUCNFFORIRN-UHFFFAOYSA-N	-1	0	271.338	1.951	40	0		CDABRM
CC(C)O[C@@H]1C(=O)N(Cc2ccccc2)[C@H]1C(=O)[O-]	ZINC000218279380	365236015	/nfs/dbraw/zinc/23/60/15/365236015.db2.gz	UYLCZECCMKNUSM-NEPJUHHUSA-N	-1	0	263.293	1.276	40	0		CDABRM
COc1c(=O)[nH]c(C)c(Br)c1C(=O)[O-]	ZINC000218311491	365434649	/nfs/dbraw/zinc/43/46/49/365434649.db2.gz	UNPPUFHRWBRXTA-UHFFFAOYSA-N	-1	0	262.059	1.153	40	0		CDABRM
C[C@@H](NC(=O)[C@@H](C)Cc1ccccc1F)C(=O)[O-]	ZINC000225461907	189752625	/nfs/dbraw/zinc/75/26/25/189752625.db2.gz	WQSOCYHHAQRQIT-DTWKUNHWSA-N	-1	0	253.273	1.594	40	0		CDABRM
O=C([O-])[C@@H]1[C@@H](C(=O)N2CCCc3ccccc32)[C@H]2C=C[C@@H]1O2	ZINC000006341668	304155236	/nfs/dbraw/zinc/15/52/36/304155236.db2.gz	UGKVJBVINLMYGE-QPSCCSFWSA-N	-1	0	299.326	1.620	40	0		CDABRM
O=C([O-])[C@@H]1[C@@H]2C=C[C@@H](CC2)[C@@H]1C(=O)NCc1ccncc1	ZINC000222427283	304155686	/nfs/dbraw/zinc/15/56/86/304155686.db2.gz	XKEZKORDMGWVRH-RFQIPJPRSA-N	-1	0	286.331	1.611	40	0		CDABRM
C[C@@H]1C(=O)C[C@@H]2[C@H]3CC[C@H](C(=O)[O-])[C@]21C[C@]3(C)CO	ZINC000252679725	372286041	/nfs/dbraw/zinc/28/60/41/372286041.db2.gz	QIYQVTNAEPQSBX-HTQGEDBOSA-N	-1	0	266.337	1.711	40	0	biogenic,in-vitro	CDABRM
Cc1ccc(C)c(CS(=O)(=O)[N-]C(=O)[C@@H]2C[C@@H]2C)c1	ZINC000225412945	374325375	/nfs/dbraw/zinc/32/53/75/374325375.db2.gz	SHYQMOLRMJKPRW-WCQYABFASA-N	-1	0	281.377	1.905	40	0		CDABRM
O=C([O-])Cn1ccn2nc(-c3cccs3)cc2c1=O	ZINC000070459073	374663560	/nfs/dbraw/zinc/66/35/60/374663560.db2.gz	UVHVNFRBMVRDJH-UHFFFAOYSA-N	-1	0	275.289	1.309	40	0		CDABRM
O=C([O-])c1ccc(CC(=O)NC[C@H]2CCCC[C@@H]2O)cc1	ZINC000263330555	190067681	/nfs/dbraw/zinc/06/76/81/190067681.db2.gz	LXOKTWMMOUIEGN-KGLIPLIRSA-N	-1	0	291.347	1.595	40	0		CDABRM
O=C([O-])c1cccc(N2C(=O)[C@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2=O)c1	ZINC000004018754	304261137	/nfs/dbraw/zinc/26/11/37/304261137.db2.gz	HUYSBAJEPUUFGG-FQPOAREZSA-N	-1	0	285.299	1.920	40	0		CDABRM
COCc1cc(-n2cnc(C(=O)[O-])c2)nc(C2CC2)n1	ZINC000096517363	390532738	/nfs/dbraw/zinc/53/27/38/390532738.db2.gz	FBWOELKNCZYBSQ-UHFFFAOYSA-N	-1	0	274.280	1.384	40	0		CDABRM
CC[C@]1(C)N=C(c2ccc(F)cc2)C(=O)N1CC(=O)[O-]	ZINC000096516408	390534446	/nfs/dbraw/zinc/53/44/46/390534446.db2.gz	BPYDIWNYWURHCM-CQSZACIVSA-N	-1	0	278.283	1.668	40	0		CDABRM
COc1cccc(C2=NO[C@@](C)(C(=O)[O-])C2)c1OC	ZINC000071981054	390543542	/nfs/dbraw/zinc/54/35/42/390543542.db2.gz	IKCKROMTWLDABP-CYBMUJFWSA-N	-1	0	265.265	1.672	40	0		CDABRM
CC(=O)N[C@H](CC(=O)[O-])c1nc2ccccc2s1	ZINC000072207247	390616351	/nfs/dbraw/zinc/61/63/51/390616351.db2.gz	XEPLQTZMBQOACM-SECBINFHSA-N	-1	0	264.306	1.948	40	0		CDABRM
O=C([O-])c1nc(=O)c2c3c(sc2[nH]1)CCCC3	ZINC000001986021	304283717	/nfs/dbraw/zinc/28/37/17/304283717.db2.gz	OCURLZUMASZDPD-UHFFFAOYSA-N	-1	0	250.279	1.562	40	0		CDABRM
CCOc1cc(C[NH2+]CCC(=O)[O-])ccc1OCC(=O)[O-]	ZINC000062717043	391568275	/nfs/dbraw/zinc/56/82/75/391568275.db2.gz	JIUXNKGVGXTWMB-UHFFFAOYSA-N	-1	0	297.307	1.113	40	0		CDABRM
O=C([O-])CN1C(=O)N/C(=C/c2cccc(Cl)c2)C1=O	ZINC000209613019	392701576	/nfs/dbraw/zinc/70/15/76/392701576.db2.gz	XDQBZXJEAQXFNR-WEVVVXLNSA-N	-1	0	280.667	1.317	40	0		CDABRM
O=C([O-])[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)Nc1cccc(F)c1	ZINC000004197660	169942991	/nfs/dbraw/zinc/94/29/91/169942991.db2.gz	OASYZVWDOZKCAW-KXNHARMFSA-N	-1	0	279.267	1.642	40	0		CDABRM
O=C([O-])[C@@H]1[C@H](C(=O)Nc2nncs2)[C@@H]2CC[C@H]1C2	ZINC000005094731	170065602	/nfs/dbraw/zinc/06/56/02/170065602.db2.gz	ITKCCXPWRNSEHE-CWKFCGSDSA-N	-1	0	267.310	1.224	40	0		CDABRM
COc1ccc(NC(=O)[C@H](CC(=O)[O-])[C@@H]2CCCO2)cc1	ZINC000005249237	170079291	/nfs/dbraw/zinc/07/92/91/170079291.db2.gz	OIUDQFMGCUOGOV-OLZOCXBDSA-N	-1	0	293.319	1.904	40	0		CDABRM
O=C([O-])[C@H]1[C@@H]2C=C[C@@H](O2)[C@H]1C(=O)Nc1cccc(Cl)c1	ZINC000005344284	170088010	/nfs/dbraw/zinc/08/80/10/170088010.db2.gz	MUCYWRUWPNJXHN-KXNHARMFSA-N	-1	0	293.706	1.933	40	0		CDABRM
COc1cc(C2=NN=C(C(=O)[O-])C2)cc(OC)c1OC	ZINC000006732203	170235953	/nfs/dbraw/zinc/23/59/53/170235953.db2.gz	RVSUUZNWKCWBSV-UHFFFAOYSA-N	-1	0	278.264	1.346	40	0		CDABRM
O=C([O-])[C@H]1[C@@H](C(=O)Nc2cccc(F)c2)[C@H]2CC[C@@H]1O2	ZINC000013154243	170537602	/nfs/dbraw/zinc/53/76/02/170537602.db2.gz	OASYZVWDOZKCAW-NOOOWODRSA-N	-1	0	279.267	1.642	40	0		CDABRM
CC(=O)NC(=S)Nc1cc(C)c(O)c(C(=O)[O-])c1	ZINC000020151228	171037748	/nfs/dbraw/zinc/03/77/48/171037748.db2.gz	LAYNHTWJFJXBOI-UHFFFAOYSA-N	-1	0	268.294	1.232	40	0		CDABRM
O=C([O-])Cc1c[nH]c(=O)n(CCC2=CCCCC2)c1=O	ZINC000020156411	171039277	/nfs/dbraw/zinc/03/92/77/171039277.db2.gz	FCVDLPGVDVVCQA-UHFFFAOYSA-N	-1	0	278.308	1.054	40	0		CDABRM
Cn1c(CSc2ncccn2)nnc1SCC(=O)[O-]	ZINC000035313128	172122772	/nfs/dbraw/zinc/12/27/72/172122772.db2.gz	DEZMVNGFOWSWDL-UHFFFAOYSA-N	-1	0	297.365	1.074	40	0		CDABRM
Cc1cc(C(F)(F)F)n2nc(CC(=O)[O-])nc2n1	ZINC000035655485	172331586	/nfs/dbraw/zinc/33/15/86/172331586.db2.gz	BUPLAXUTXGWCLN-UHFFFAOYSA-N	-1	0	260.175	1.079	40	0		CDABRM
Cc1nn(C)c(C)c1C(=O)N1CCC[C@@H](CCC(=O)[O-])C1	ZINC000043589676	175073496	/nfs/dbraw/zinc/07/34/96/175073496.db2.gz	MJVGHLFEOSYHGU-LBPRGKRZSA-N	-1	0	293.367	1.754	40	0		CDABRM
COc1ccc(C(=O)N2CCC=C(C(=O)[O-])C2)cc1	ZINC000072226974	176343307	/nfs/dbraw/zinc/34/33/07/176343307.db2.gz	YIKTVRDJTWRWSP-UHFFFAOYSA-N	-1	0	261.277	1.552	40	0		CDABRM
CC(=O)N1CC(CCCc2ccncc2)(C(=O)[O-])C1	ZINC000072383150	176388471	/nfs/dbraw/zinc/38/84/71/176388471.db2.gz	ZHPFFRGOJWNAEH-UHFFFAOYSA-N	-1	0	262.309	1.337	40	0		CDABRM
CC(C)Oc1ccc([C@@H]2CNC(=O)[C@@H]2C(=O)[O-])cc1	ZINC000076359997	177001103	/nfs/dbraw/zinc/00/11/03/177001103.db2.gz	VAWSZHIXCAWMOQ-NWDGAFQWSA-N	-1	0	263.293	1.388	40	0		CDABRM
C[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]2)CC[C@H]1c1ccccc1	ZINC000076472115	177025407	/nfs/dbraw/zinc/02/54/07/177025407.db2.gz	RFZBITUGGHESPU-ZYHUDNBSSA-N	-1	0	286.335	1.776	40	0		CDABRM
C[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]2)CC[C@@H]1c1ccccc1	ZINC000076472113	296935645	/nfs/dbraw/zinc/93/56/45/296935645.db2.gz	RFZBITUGGHESPU-PWSUYJOCSA-N	-1	0	286.335	1.776	40	0		CDABRM
CSCC[C@@H]([NH2+]Cc1ccccc1C(=O)[O-])C(=O)[O-]	ZINC000062718094	295601921	/nfs/dbraw/zinc/60/19/21/295601921.db2.gz	XUMOJDFCRWFQDD-LLVKDONJSA-N	-1	0	283.349	1.681	40	0		CDABRM
CC(C)(C)OC(=O)N[C@@H](Cn1nccc1Cl)C(=O)[O-]	ZINC000228971790	518836089	/nfs/dbraw/zinc/83/60/89/518836089.db2.gz	SSJAVPBFQDDKNP-ZETCQYMHSA-N	-1	0	289.719	1.514	40	0		CDABRM
CN(C)c1cccc(-c2nnc(SCC(=O)[O-])n2C)c1	ZINC000116937206	522255946	/nfs/dbraw/zinc/25/59/46/522255946.db2.gz	PIGPUXHEBKRLIF-UHFFFAOYSA-N	-1	0	292.364	1.725	40	0		CDABRM
O=C([O-])CC[C@H]1CCCN(C(=O)c2ccc(F)cn2)C1	ZINC000228564872	692395268	/nfs/dbraw/zinc/39/52/68/692395268.db2.gz	OYXOSVXGDKOIQA-SNVBAGLBSA-N	-1	0	280.299	1.938	40	0		CDABRM
O=C([O-])c1nnn(Cc2ccccc2)c1Br	ZINC000225767176	230399599	/nfs/dbraw/zinc/39/95/99/230399599.db2.gz	AXHZLVQJMBJJQZ-UHFFFAOYSA-N	-1	0	282.097	1.787	40	0		CDABRM
O=C([O-])Cc1cnc(Cc2ccc(F)cc2)[nH]c1=O	ZINC000216634108	398205957	/nfs/dbraw/zinc/20/59/57/398205957.db2.gz	KOVBQBOYFBZXSM-UHFFFAOYSA-N	-1	0	262.240	1.127	40	0		CDABRM
C[C@@H](NC(=O)c1ccc(F)cc1[O-])c1cnn(C)c1	ZINC000164075855	361995679	/nfs/dbraw/zinc/99/56/79/361995679.db2.gz	RLSVWQXUOWDGOW-MRVPVSSYSA-N	-1	0	263.272	1.756	40	0		CDABRM
CC(C)C[C@@](C)(CC(=O)[O-])C(=O)N1CCS(=O)CC1	ZINC000601996720	344311531	/nfs/dbraw/zinc/31/15/31/344311531.db2.gz	RQJCXZQWNCFSKS-ZDUSSCGKSA-N	-1	0	289.397	1.104	40	0		CDABRM
O=C(Nc1ccc(Cl)cc1)C1=C([O-])COC1=O	ZINC000100336202	304001316	/nfs/dbraw/zinc/00/13/16/304001316.db2.gz	RSECCJNDAUWUJT-UHFFFAOYSA-N	-1	0	253.641	1.647	40	0		CDABRM
C[C@@H](Sc1nc([O-])cc(=O)[nH]1)C(=O)Nc1nccs1	ZINC000139108469	348742414	/nfs/dbraw/zinc/74/24/14/348742414.db2.gz	MPRBGKGRONKNIO-RXMQYKEDSA-N	-1	0	298.349	1.051	40	0		CDABRM
CC[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)[O-]	ZINC000028631703	482666812	/nfs/dbraw/zinc/66/68/12/482666812.db2.gz	OWJXXJTWCMKBCI-WCBMZHEXSA-N	-1	0	288.344	1.127	40	0		CDABRM
O=C([O-])[C@@H]1C[C@H]2c3ccccc3N[C@H]2[C@H]2CCC(=O)N21	ZINC000003847260	356010586	/nfs/dbraw/zinc/01/05/86/356010586.db2.gz	ZOJBHIDKMQCKNB-WSXWTOPLSA-N	-1	0	272.304	1.412	40	0		CDABRM
O=S(=O)([N-]c1ccccn1)c1cccc(O)c1	ZINC000019733709	356497662	/nfs/dbraw/zinc/49/76/62/356497662.db2.gz	PLLMASXONAHTNJ-UHFFFAOYSA-N	-1	0	250.279	1.588	40	0		CDABRM
COc1cccc(N2C(=O)S[C@@H](CC(=O)[O-])C2=O)c1	ZINC000036635207	356875599	/nfs/dbraw/zinc/87/55/99/356875599.db2.gz	FRCDBPKBDSYBEN-VIFPVBQESA-N	-1	0	281.289	1.738	40	0		CDABRM
Cc1ccc(NC(=O)[C@@H]2[C@@H](C(=O)[O-])[C@H]3CC[C@@H]2O3)cc1F	ZINC000016551555	357525110	/nfs/dbraw/zinc/52/51/10/357525110.db2.gz	TZFORGPZIAVOKJ-RNJOBUHISA-N	-1	0	293.294	1.951	40	0		CDABRM
Cc1ccc(C)c(Cc2ncc(C(=O)[O-])c(=O)[nH]2)c1	ZINC000084609474	358238987	/nfs/dbraw/zinc/23/89/87/358238987.db2.gz	UCLGEQBKNYWWRM-UHFFFAOYSA-N	-1	0	258.277	1.676	40	0		CDABRM
Cc1cc2ncc(C(=O)N[C@@H](C)[C@@H](C)C(=O)[O-])c(C)n2n1	ZINC000132539494	358568063	/nfs/dbraw/zinc/56/80/63/358568063.db2.gz	QAKPYAUKJPKHOG-BDAKNGLRSA-N	-1	0	290.323	1.185	40	0		CDABRM
Cc1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@H](O3)[C@@H]2C(=O)[O-])c(C)c1	ZINC000004143134	358570545	/nfs/dbraw/zinc/57/05/45/358570545.db2.gz	ZVVJKZOQIXYVMF-RQJABVFESA-N	-1	0	287.315	1.896	40	0		CDABRM
CCNS(=O)(=O)c1cc(C(=O)[O-])ccc1N1CCCC1	ZINC000217410762	359000451	/nfs/dbraw/zinc/00/04/51/359000451.db2.gz	KNCYTKRBFZAXOA-UHFFFAOYSA-N	-1	0	298.364	1.283	40	0		CDABRM
O=C([O-])[C@H]1CC(=O)O[C@H]1c1ccc2c(c1)OCO2	ZINC000039348936	359525849	/nfs/dbraw/zinc/52/58/49/359525849.db2.gz	IHGHHHLDVPOAER-CPCISQLKSA-N	-1	0	250.206	1.104	40	0		CDABRM
COc1ccc(C)cc1C[C@@H](C(=O)[O-])N1CCOCC1	ZINC000225148816	359552705	/nfs/dbraw/zinc/55/27/05/359552705.db2.gz	CYWHOTKRNGZBHY-ZDUSSCGKSA-N	-1	0	279.336	1.332	40	0		CDABRM
O=C([O-])c1cccc(NC(=O)CSCCO)c1	ZINC000058824463	359795623	/nfs/dbraw/zinc/79/56/23/359795623.db2.gz	ZBDOJLSCNZKCCZ-UHFFFAOYSA-N	-1	0	255.295	1.049	40	0		CDABRM
C[C@@H]1C(=O)CC[C@@H]1CC(=O)N=c1cc(C(F)(F)F)[n-][nH]1	ZINC000330107742	202615682	/nfs/dbraw/zinc/61/56/82/202615682.db2.gz	MOLWMEOKIJWEAC-NKWVEPMBSA-N	-1	0	289.257	1.794	40	0		CDABRM
CC(=O)Nc1cccc(OCc2ncc(C(=O)[O-])cn2)c1	ZINC000217379544	189709818	/nfs/dbraw/zinc/70/98/18/189709818.db2.gz	TYTRCMHCZUBTRB-UHFFFAOYSA-N	-1	0	287.275	1.712	40	0		CDABRM
O=C([O-])C(F)(F)[S@@](=O)c1nc2ccccc2[nH]1	ZINC000217576171	189710633	/nfs/dbraw/zinc/71/06/33/189710633.db2.gz	PEZDTGHTXPERDL-KRWDZBQOSA-N	-1	0	260.221	1.348	40	0		CDABRM
CCCCNS(=O)(=O)c1cc(C(=O)[O-])ccc1NC	ZINC000217703688	189711569	/nfs/dbraw/zinc/71/15/69/189711569.db2.gz	YOVLAAFOXJVJPY-UHFFFAOYSA-N	-1	0	286.353	1.505	40	0		CDABRM
COc1ccccc1-c1cc(=O)n2nc(C)[n-]c2n1	ZINC000010338626	365074613	/nfs/dbraw/zinc/07/46/13/365074613.db2.gz	APMGMJGQCVWHEM-UHFFFAOYSA-N	-1	0	256.265	1.402	40	0		CDABRM
O=C([O-])[C@@H]1[C@@H](C(=O)NC2CCCCCC2)[C@H]2C=C[C@@H]1O2	ZINC000005897392	304155224	/nfs/dbraw/zinc/15/52/24/304155224.db2.gz	HYCFRKTXICJVPV-VOAKCMCISA-N	-1	0	279.336	1.480	40	0		CDABRM
[NH3+][C@@H](CCCn1c(=O)c2ccccc2[n-]c1=S)C(=O)[O-]	ZINC000067172767	374395633	/nfs/dbraw/zinc/39/56/33/374395633.db2.gz	CVUOCTDWHRWPLN-VIFPVBQESA-N	-1	0	293.348	1.251	40	0		CDABRM
Cn1c2ccccc2nc1S(=O)(=O)C(F)(F)C(=O)[O-]	ZINC000217576071	375677914	/nfs/dbraw/zinc/67/79/14/375677914.db2.gz	NMDQLQXLARQQEH-UHFFFAOYSA-N	-1	0	290.247	1.024	40	0		CDABRM
CC(=O)N1CCC[C@@H](c2cnc(NCCC(=O)[O-])cn2)C1	ZINC000257234259	190017182	/nfs/dbraw/zinc/01/71/82/190017182.db2.gz	GSVALGAIACFCMH-LLVKDONJSA-N	-1	0	292.339	1.089	40	0		CDABRM
CC(=O)N(C)Cc1cn(-c2ccccc2C(=O)[O-])cn1	ZINC000257265909	190023038	/nfs/dbraw/zinc/02/30/38/190023038.db2.gz	MAWFAFOVENEAHS-UHFFFAOYSA-N	-1	0	273.292	1.549	40	0		CDABRM
CS(=O)(=O)[C@H]1[C@@H](c2ccc(F)cc2)[C@H]1C(=O)[O-]	ZINC000218395204	375827413	/nfs/dbraw/zinc/82/74/13/375827413.db2.gz	PZNYIXZVPPJWHX-AEJSXWLSSA-N	-1	0	258.270	1.037	40	0		CDABRM
O=C([O-])c1ccccc1C(=O)O[C@H]1C[C@H]2C[C@@H]1[C@H]1OC[C@@H]12	ZINC000104068105	304267491	/nfs/dbraw/zinc/26/74/91/304267491.db2.gz	PDOJCNQWPHFSOU-BCTPILQISA-N	-1	0	288.299	1.965	40	0		CDABRM
Cc1noc([C@@H](C)NS(=O)(=O)CC(C)C)c1C(=O)[O-]	ZINC000096297060	256792175	/nfs/dbraw/zinc/79/21/75/256792175.db2.gz	ZXEUEJIEIMBMJL-MRVPVSSYSA-N	-1	0	290.341	1.318	40	0	biogenic,in-vitro	CDABRM
Cc1nn(C)c(Cl)c1C(=O)C1=C([O-])CCCC1=O	ZINC000103619349	390436556	/nfs/dbraw/zinc/43/65/56/390436556.db2.gz	DDQTZVCTWQMUAP-UHFFFAOYSA-N	-1	0	268.700	1.503	40	0		CDABRM
O=C([O-])c1cnc(N2CCCC2)nc1-c1cccnc1	ZINC000096517135	390531812	/nfs/dbraw/zinc/53/18/12/390531812.db2.gz	BVVRETWARCAVCS-UHFFFAOYSA-N	-1	0	270.292	1.837	40	0		CDABRM
Cc1nc(-c2ccc(Cl)cc2)cc(=O)n1CC(=O)[O-]	ZINC000096531033	390540867	/nfs/dbraw/zinc/54/08/67/390540867.db2.gz	NRFDCQJTEQJUHK-UHFFFAOYSA-N	-1	0	278.695	1.957	40	0		CDABRM
CC[C@@H](C)[C@](C)(O)CNc1ncccc1C(=O)[O-]	ZINC000647450589	390960549	/nfs/dbraw/zinc/96/05/49/390960549.db2.gz	WAMZKSVBYXCTBL-NOZJJQNGSA-N	-1	0	252.314	1.989	40	0		CDABRM
CC[C@H](S[C@H](C(=O)[O-])c1ccccc1)C(N)=O	ZINC000001751565	169754770	/nfs/dbraw/zinc/75/47/70/169754770.db2.gz	KZJVLZNKMHIYCB-UWVGGRQHSA-N	-1	0	253.323	1.809	40	0		CDABRM
Cn1c(SCC(=O)[O-])nnc1-c1ccccn1	ZINC000005047432	170060817	/nfs/dbraw/zinc/06/08/17/170060817.db2.gz	XVFYYYPZJMYOPC-UHFFFAOYSA-N	-1	0	250.283	1.054	40	0		CDABRM
CCCNC(=O)c1ccccc1[N-]S(C)(=O)=O	ZINC000006361933	170195204	/nfs/dbraw/zinc/19/52/04/170195204.db2.gz	VVWAIWYHNZFDCP-UHFFFAOYSA-N	-1	0	256.327	1.198	40	0		CDABRM
O=S(=O)([N-]C1N=NC(=S)S1)C(F)(F)F	ZINC000006368769	170195385	/nfs/dbraw/zinc/19/53/85/170195385.db2.gz	PKSATONPCLKSTM-UHFFFAOYSA-N	-1	0	265.263	1.088	40	0		CDABRM
Cc1noc(C)c1S(=O)(=O)[N-]c1ccc(C(N)=O)cc1	ZINC000007055198	170264499	/nfs/dbraw/zinc/26/44/99/170264499.db2.gz	NABUAZMCUQAQKV-UHFFFAOYSA-N	-1	0	295.320	1.191	40	0		CDABRM
CCCNc1ccc(S(=O)(=O)NC)cc1C(=O)[O-]	ZINC000013277133	170541854	/nfs/dbraw/zinc/54/18/54/170541854.db2.gz	GQIZBEDRTJKTRF-UHFFFAOYSA-N	-1	0	272.326	1.115	40	0		CDABRM
Cc1ccc(OS(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])cc1	ZINC000020458555	171209027	/nfs/dbraw/zinc/20/90/27/171209027.db2.gz	PZJZUKCBWMEJKX-GFCCVEGCSA-N	-1	0	299.348	1.558	40	0		CDABRM
CCCOc1ccc(/C=C/C(=O)NCC(=O)[O-])cc1	ZINC000033439568	171798567	/nfs/dbraw/zinc/79/85/67/171798567.db2.gz	OPOKRVMXNFFIAT-VMPITWQZSA-N	-1	0	263.293	1.689	40	0		CDABRM
CCOC(=O)C1=NN(c2cccc(Cl)c2)[C@H](C(=O)[O-])C1	ZINC000071979399	176307924	/nfs/dbraw/zinc/30/79/24/176307924.db2.gz	YMURMBHZHWGERJ-NSHDSACASA-N	-1	0	296.710	1.922	40	0		CDABRM
CC(C)Sc1ccc(-n2cnc(C(=O)[O-])c2)nn1	ZINC000072233901	176344724	/nfs/dbraw/zinc/34/47/24/176344724.db2.gz	XGTDGVNVXGHLEN-UHFFFAOYSA-N	-1	0	264.310	1.861	40	0		CDABRM
COc1ccc(C(=O)N[C@H](C)[C@H](C)C(=O)[O-])c(F)c1	ZINC000228707589	262339523	/nfs/dbraw/zinc/33/95/23/262339523.db2.gz	QAOBQBZJRJKWBR-JGVFFNPUSA-N	-1	0	269.272	1.673	40	0		CDABRM
CCc1cccc(S(=O)(=O)N(CC(=O)[O-])C2CCC2)c1	ZINC000653495738	424092818	/nfs/dbraw/zinc/09/28/18/424092818.db2.gz	XFTPPDJYBXRZFL-UHFFFAOYSA-N	-1	0	297.376	1.877	40	0		CDABRM
CN1c2ccccc2C(C)(C)/C1=C/c1c([O-])c(=O)c1=O	ZINC000038955976	276992159	/nfs/dbraw/zinc/99/21/59/276992159.db2.gz	DCWYWHGRXREROR-WQLSENKSSA-N	-1	0	269.300	1.757	40	0		CDABRM
CC(C)=CC[C@]1(O)C(=O)c2ccccc2[C@]1(O)C(=O)[O-]	ZINC000001871624	278667105	/nfs/dbraw/zinc/66/71/05/278667105.db2.gz	LVYYPCAHSWYNEJ-GJZGRUSLSA-N	-1	0	276.288	1.243	40	0		CDABRM
Cn1cnc(C(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)c1	ZINC000236124479	303014538	/nfs/dbraw/zinc/01/45/38/303014538.db2.gz	JOMWKHJLYUMMEC-USWWRNFRSA-N	-1	0	277.324	1.278	40	0		CDABRM
COc1cc(O)c2c(c1)C(C(=O)[O-])=C(C)C[C@H](O)C2=O	ZINC001772591702	1159189222	/nfs/dbraw/zinc/18/92/22/1159189222.db2.gz	LSABOANGIGLHAG-JTQLQIEISA-N	-1	0	278.260	1.206	40	0		CDABRM
Cc1nn(C)cc1[C@H](C)NC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-]	ZINC000248010626	334293348	/nfs/dbraw/zinc/29/33/48/334293348.db2.gz	IUDUEXQDVXJUOH-MVWJERBFSA-N	-1	0	291.351	1.573	40	0		CDABRM
O=C([O-])Cn1ncc2c3ccc(F)cc3[nH]c2c1=O	ZINC000408712463	534511787	/nfs/dbraw/zinc/51/17/87/534511787.db2.gz	LGMCOHRDRLYVNU-UHFFFAOYSA-N	-1	0	261.212	1.102	40	0		CDABRM
CCc1c(C(=O)[O-])nnn1-c1cc(OC)ccc1OC	ZINC000062265841	523705704	/nfs/dbraw/zinc/70/57/04/523705704.db2.gz	NBUIOFATZODTGI-UHFFFAOYSA-N	-1	0	277.280	1.545	40	0		CDABRM
Cc1cnc2c(C(=O)N3CCC[C@@]3(C)C(=O)[O-])cnn2c1	ZINC000902107048	618564946	/nfs/dbraw/zinc/56/49/46/618564946.db2.gz	MLQWOPKPLNBCRI-AWEZNQCLSA-N	-1	0	288.307	1.117	40	0		CDABRM
O=C([O-])[C@H](C1CC1)n1nnc(-c2ccc3ncccc3c2)n1	ZINC001548451849	967502052	/nfs/dbraw/zinc/50/20/52/967502052.db2.gz	JPGJLXVVRWAIHG-ZDUSSCGKSA-N	-1	0	295.302	1.924	40	0		CDABRM
CN1C(=O)CC[C@@H](C(=O)[O-])[C@H]1c1cccc(F)c1	ZINC000070272339	1171654564	/nfs/dbraw/zinc/65/45/64/1171654564.db2.gz	UMLQXZLKUSJZPA-ZYHUDNBSSA-N	-1	0	251.257	1.820	40	0		CDABRM
O=C([O-])[C@@H]1[C@@H](C(=O)Nc2ccccc2F)[C@H]2C=C[C@@H]1O2	ZINC000004894133	230369288	/nfs/dbraw/zinc/36/92/88/230369288.db2.gz	XOOKKNOBOAZHCF-RHYQMDGZSA-N	-1	0	277.251	1.418	40	0		CDABRM
CO[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)[O-]	ZINC000034171362	344910450	/nfs/dbraw/zinc/91/04/50/344910450.db2.gz	QUMPTEMSGZOMGE-KOLCDFICSA-N	-1	0	267.281	1.401	40	0		CDABRM
O=C([O-])c1ccc([N+](=O)[O-])cc1C(=O)Nc1cccnc1	ZINC000006548200	348730561	/nfs/dbraw/zinc/73/05/61/348730561.db2.gz	HWXGNZQBTVKJMW-UHFFFAOYSA-N	-1	0	287.231	1.940	40	0		CDABRM
O=C1O[C@H]([C@H]2CO[C@@H](c3ccccc3)O2)C([O-])=C1O	ZINC000104275767	185951232	/nfs/dbraw/zinc/95/12/32/185951232.db2.gz	SWTGJCNCBUCXSS-XTWCZFFVSA-N	-1	0	264.233	1.354	40	0		CDABRM
CC(C)(C)OC(=O)[C@@H](N)c1ccccc1CC(=O)[O-]	ZINC000090694255	180026480	/nfs/dbraw/zinc/02/64/80/180026480.db2.gz	JPOGZIFVKDDCHN-LBPRGKRZSA-N	-1	0	265.309	1.655	40	0		CDABRM
C[C@H](NC(=O)[C@H]1C2CCC(CC2)[C@@H]1C(=O)[O-])[C@@H]1CCCO1	ZINC000013320400	299225704	/nfs/dbraw/zinc/22/57/04/299225704.db2.gz	AFIMWANBPBCXET-JRUDZLOGSA-N	-1	0	295.379	1.807	40	0		CDABRM
COC(=O)c1[nH]c(Br)c(C)c1C(=O)[O-]	ZINC000000402423	355910018	/nfs/dbraw/zinc/91/00/18/355910018.db2.gz	JNGDSVLWNFBSOY-UHFFFAOYSA-N	-1	0	262.059	1.570	40	0		CDABRM
COc1cccc(OCC(=O)N[C@@H](C(=O)[O-])C(C)C)c1	ZINC000003204734	355995970	/nfs/dbraw/zinc/99/59/70/355995970.db2.gz	NGQNSPKGCWRPFR-CYBMUJFWSA-N	-1	0	281.308	1.299	40	0		CDABRM
CN(C)c1ccc2cc(S(=O)(=O)[O-])cc(O)c2c1	ZINC000001648152	355944219	/nfs/dbraw/zinc/94/42/19/355944219.db2.gz	LRPIENHBUQIGPP-UHFFFAOYSA-N	-1	0	267.306	1.858	40	0		CDABRM
Cc1csc(NC(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)[O-])n1	ZINC000004946431	356046417	/nfs/dbraw/zinc/04/64/17/356046417.db2.gz	GLMCLYZDCCLYRF-XAVMHZPKSA-N	-1	0	282.321	1.268	40	0		CDABRM
CCc1ccc(/C=C2/NC(=O)N(CC(=O)[O-])C2=O)cc1	ZINC000408589662	356008991	/nfs/dbraw/zinc/00/89/91/356008991.db2.gz	FINHAJUFVMKZOO-YRNVUSSQSA-N	-1	0	274.276	1.226	40	0		CDABRM
O=C1[N-]C(=O)[C@H](Cc2nnc(-c3ccccc3)o2)S1	ZINC000012579945	356310450	/nfs/dbraw/zinc/31/04/50/356310450.db2.gz	BJQDXFAQGODLSI-QMMMGPOBSA-N	-1	0	275.289	1.631	40	0		CDABRM
COc1ccc(-n2[n-]c3[nH]c4c(c(=O)c3c2=O)CCC4)cc1	ZINC000017024238	357617438	/nfs/dbraw/zinc/61/74/38/357617438.db2.gz	NBFPBDBFPWFVKR-UHFFFAOYSA-N	-1	0	297.314	1.504	40	0		CDABRM
Cc1ccc(C(=O)Nc2nnc(CC(=O)[O-])s2)cc1	ZINC000036239159	357794354	/nfs/dbraw/zinc/79/43/54/357794354.db2.gz	GWQAJLWEMXNKBE-UHFFFAOYSA-N	-1	0	277.305	1.726	40	0		CDABRM
CCn1ncc(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])c1C	ZINC000036610967	358363923	/nfs/dbraw/zinc/36/39/23/358363923.db2.gz	XJLVUQDJOYMANH-URBCHYCLSA-N	-1	0	289.335	1.673	40	0		CDABRM
Cc1cc(C)cc(OCc2ncc(CC(=O)[O-])c(=O)[nH]2)c1	ZINC000217386542	358998203	/nfs/dbraw/zinc/99/82/03/358998203.db2.gz	LKCSTTYMQZLGQY-UHFFFAOYSA-N	-1	0	288.303	1.593	40	0		CDABRM
CC(C)(C)OC(=O)N1[C@@H]2CCC[C@H](O)[C@@H]2C[C@H]1C(=O)[O-]	ZINC000219774571	359122598	/nfs/dbraw/zinc/12/25/98/359122598.db2.gz	MEPVLLYCTBJKBQ-ZNSHCXBVSA-N	-1	0	285.340	1.610	40	0		CDABRM
O=C([O-])CNC(=O)/C=C/c1cccc(Br)c1	ZINC000033442049	359332661	/nfs/dbraw/zinc/33/26/61/359332661.db2.gz	KKFOHJOMADYSOW-SNAWJCMRSA-N	-1	0	284.109	1.663	40	0		CDABRM
COC(C)(C)C(=O)Nc1cccc(OCC(=O)[O-])c1	ZINC000225461401	359592136	/nfs/dbraw/zinc/59/21/36/359592136.db2.gz	JRPOLKCKILFCLA-UHFFFAOYSA-N	-1	0	267.281	1.514	40	0		CDABRM
CC(=O)c1c([O-])cc(C)n(-c2ccccc2O)c1=O	ZINC000016769692	366913953	/nfs/dbraw/zinc/91/39/53/366913953.db2.gz	NUWLDSUARLBGLT-UHFFFAOYSA-N	-1	0	259.261	1.760	40	0		CDABRM
CC[C@@](C)(OC)C(=O)Nc1ccc(OCC(=O)[O-])cc1	ZINC000225601242	367345986	/nfs/dbraw/zinc/34/59/86/367345986.db2.gz	APHQZAVMIWCZSH-CQSZACIVSA-N	-1	0	281.308	1.904	40	0		CDABRM
COCCNC(=O)[C@H]1CC[C@](C)(C(=O)[O-])C1(C)C	ZINC000006829061	370031763	/nfs/dbraw/zinc/03/17/63/370031763.db2.gz	LXUXXRVHGHNODS-NOZJJQNGSA-N	-1	0	257.330	1.276	40	0		CDABRM
Cc1cc([N-]S(=O)(=O)c2ccc(C)c(F)c2)n(C)n1	ZINC000066247816	374195028	/nfs/dbraw/zinc/19/50/28/374195028.db2.gz	LFUTWBXFDCYGLG-UHFFFAOYSA-N	-1	0	283.328	1.977	40	0		CDABRM
CCC(=O)[N-]S(=O)(=O)c1cc(C)c(C)cc1C	ZINC000225472676	374205371	/nfs/dbraw/zinc/20/53/71/374205371.db2.gz	GPKKAJWIXABQCC-UHFFFAOYSA-N	-1	0	255.339	1.827	40	0		CDABRM
O=C([O-])[C@H]1CCCN(C(=O)C(F)(F)Br)C1	ZINC000085397099	304181902	/nfs/dbraw/zinc/18/19/02/304181902.db2.gz	SZZYFNQNRCQFLP-YFKPBYRVSA-N	-1	0	286.072	1.297	40	0		CDABRM
O=C([O-])[C@H]1COc2ccc(Br)cc2C1=O	ZINC000101324999	304201311	/nfs/dbraw/zinc/20/13/11/304201311.db2.gz	MLWOYGMPCLJQGY-ZETCQYMHSA-N	-1	0	271.066	1.725	40	0		CDABRM
COc1ccccc1[C@H]1[C@@H](C(=O)[O-])CC(=O)N1C1CC1	ZINC000045922814	377157763	/nfs/dbraw/zinc/15/77/63/377157763.db2.gz	MNOSNVZQVKLBBU-FZMZJTMJSA-N	-1	0	275.304	1.832	40	0		CDABRM
O=C([O-])c1cnn(-c2ccccc2C(F)(F)F)n1	ZINC000089263450	304280260	/nfs/dbraw/zinc/28/02/60/304280260.db2.gz	HHPACLNOLHLXGH-UHFFFAOYSA-N	-1	0	257.171	1.984	40	0		CDABRM
O=C([O-])CC[NH2+]Cc1cn(CC(=O)[O-])c2ccccc12	ZINC000062717190	391060399	/nfs/dbraw/zinc/06/03/99/391060399.db2.gz	GDTUZKUXGYMNGN-UHFFFAOYSA-N	-1	0	276.292	1.290	40	0		CDABRM
CC(C)(C)C(=O)Nc1cc(C(=O)[O-])c(Cl)nn1	ZINC000026506924	391158586	/nfs/dbraw/zinc/15/85/86/391158586.db2.gz	JWJVIAZZAUTXAF-UHFFFAOYSA-N	-1	0	257.677	1.813	40	0		CDABRM
CC(C)C[C@@H]([NH2+]Cc1ccc(OCC(=O)[O-])cc1)C(=O)[O-]	ZINC000062716886	391565027	/nfs/dbraw/zinc/56/50/27/391565027.db2.gz	PXGJCSSGYWXGQH-CYBMUJFWSA-N	-1	0	295.335	1.739	40	0		CDABRM
CCS(=O)(=O)[C@@H]1[C@@H](C(=O)[O-])[C@H]1c1ccccc1	ZINC000252516138	392798279	/nfs/dbraw/zinc/79/82/79/392798279.db2.gz	QFZQFEKJMVWVJE-VWYCJHECSA-N	-1	0	254.307	1.288	40	0		CDABRM
O=C(C=C([O-])c1cccnc1)NC(=O)c1ccccc1	ZINC000001704683	169745923	/nfs/dbraw/zinc/74/59/23/169745923.db2.gz	BRORVFIZVABATH-UHFFFAOYSA-N	-1	0	268.272	1.611	40	0		CDABRM
CCOC(=O)C=Cc1c([O-])c2cccnc2[nH]c1=O	ZINC000006693704	170226717	/nfs/dbraw/zinc/22/67/17/170226717.db2.gz	VOALKJSSGCATMY-AATRIKPKSA-N	-1	0	260.249	1.205	40	0		CDABRM
COc1cccc2c1c(NC(C)=O)c(C(=O)[O-])n2C	ZINC000006857004	170250125	/nfs/dbraw/zinc/25/01/25/170250125.db2.gz	TZGXSCHTNGBABE-UHFFFAOYSA-N	-1	0	262.265	1.844	40	0		CDABRM
O=C([O-])[C@H](c1cccc(Cl)c1)N1CCOCC1	ZINC000016082875	170686733	/nfs/dbraw/zinc/68/67/33/170686733.db2.gz	GJZNWRAIZQBMNP-NSHDSACASA-N	-1	0	255.701	1.798	40	0		CDABRM
CCS[C@H]1CC(=O)N(c2cccc(C(=O)[O-])c2)C1=O	ZINC000016899535	170714247	/nfs/dbraw/zinc/71/42/47/170714247.db2.gz	DIEPBORUHQZDRX-JTQLQIEISA-N	-1	0	279.317	1.770	40	0		CDABRM
Cc1[nH]c(=S)n(Cc2ccccc2)c(=O)c1CC(=O)[O-]	ZINC000020156360	171039209	/nfs/dbraw/zinc/03/92/09/171039209.db2.gz	NQGYCGPWZADAOP-UHFFFAOYSA-N	-1	0	290.344	1.890	40	0		CDABRM
CCCS(=O)(=O)Nc1c(C)cccc1C(=O)[O-]	ZINC000022143583	171355864	/nfs/dbraw/zinc/35/58/64/171355864.db2.gz	YVZVWMZAVIKFGA-UHFFFAOYSA-N	-1	0	257.311	1.845	40	0		CDABRM
O=C([O-])COc1ccccc1I	ZINC000035453838	172206809	/nfs/dbraw/zinc/20/68/09/172206809.db2.gz	OXMKQZUBDBNJTE-UHFFFAOYSA-N	-1	0	278.045	1.755	40	0		CDABRM
O=C([O-])CCC(=O)CNC(=O)OCc1ccccc1	ZINC000044563743	175207539	/nfs/dbraw/zinc/20/75/39/175207539.db2.gz	GOBFUUKGAGSJCV-UHFFFAOYSA-N	-1	0	265.265	1.347	40	0		CDABRM
O=C([O-])/C=C/Cn1cc(I)cn1	ZINC000070677454	176001097	/nfs/dbraw/zinc/00/10/97/176001097.db2.gz	PCZIEQYPGGHMOX-OWOJBTEDSA-N	-1	0	278.049	1.129	40	0		CDABRM
O=C([O-])c1n[nH]c2c1CN(Cc1ccccc1)CC2	ZINC000072209776	176342955	/nfs/dbraw/zinc/34/29/55/176342955.db2.gz	QXZGDFSFMMQRNL-UHFFFAOYSA-N	-1	0	257.293	1.666	40	0		CDABRM
CC1=CC(=C2C(=O)[N-]C(=O)NC2=O)C=C(C(F)(F)F)O1	ZINC000001463397	276177827	/nfs/dbraw/zinc/17/78/27/276177827.db2.gz	QMYDXSKMMJARGU-UHFFFAOYSA-N	-1	0	288.181	1.029	40	0		CDABRM
CC(C)C[C@H](C(=O)[O-])N1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@@H]2C1=O	ZINC000013774150	279076746	/nfs/dbraw/zinc/07/67/46/279076746.db2.gz	DHQLZILRNNWMGY-LVEVGFFFSA-N	-1	0	277.320	1.293	40	0		CDABRM
CC(C)[C@H]1CCC2=C(C(=O)OC2)[C@H]1/C=C(\CO)C(=O)[O-]	ZINC000031161796	280363771	/nfs/dbraw/zinc/36/37/71/280363771.db2.gz	YWASZTJGPFRWMW-SRXIBPRUSA-N	-1	0	280.320	1.525	40	0	biogenic,in-vitro	CDABRM
Cc1cc(C)c(NC(=O)C[S@](=O)CC(=O)[O-])c(C)c1	ZINC000072389853	301186466	/nfs/dbraw/zinc/18/64/66/301186466.db2.gz	JQBXYTDVGKWBSA-LJQANCHMSA-N	-1	0	283.349	1.384	40	0		CDABRM
O=c1c(Br)n[n-]c2cc3c(cc21)OCO3	ZINC000062723747	526323781	/nfs/dbraw/zinc/32/37/81/526323781.db2.gz	HCIJAFFAJQEJDV-UHFFFAOYSA-N	-1	0	269.054	1.827	40	0		CDABRM
Cc1nn(C)c(C)c1C(=O)N1CCC(CCC(=O)[O-])CC1	ZINC000050922445	527607585	/nfs/dbraw/zinc/60/75/85/527607585.db2.gz	FJJSIBFABCGNSC-UHFFFAOYSA-N	-1	0	293.367	1.754	40	0		CDABRM
CCn1nc(C)cc1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-]	ZINC000032610701	1165724938	/nfs/dbraw/zinc/72/49/38/1165724938.db2.gz	YCBJBBDMSBBZJZ-MNOVXSKESA-N	-1	0	277.324	1.817	40	0		CDABRM
CC(C)[C@H](Sc1nc(N)nc2nc[nH]c21)C(=O)[O-]	ZINC000005977202	341998652	/nfs/dbraw/zinc/99/86/52/341998652.db2.gz	UDODMBXWDXHYDZ-LURJTMIESA-N	-1	0	267.314	1.136	40	0	in-vitro	CDABRM
Cn1cnc2c1[C@@H](C(=O)[O-])CN(Cc1nccs1)C2	ZINC000096067808	185085596	/nfs/dbraw/zinc/08/55/96/185085596.db2.gz	RTGGYZROQZLJNM-QMMMGPOBSA-N	-1	0	278.337	1.061	40	0		CDABRM
O=C([O-])c1nc2cc(C(=O)NC3CC3)c(Cl)cc2[nH]1	ZINC000203847699	343036729	/nfs/dbraw/zinc/03/67/29/343036729.db2.gz	SRWMEWABJDMXOG-UHFFFAOYSA-N	-1	0	279.683	1.807	40	0		CDABRM
O=C([O-])Cn1cc(Br)c(C(F)F)n1	ZINC000408716589	365728464	/nfs/dbraw/zinc/72/84/64/365728464.db2.gz	OODWCUBXHRIBLF-UHFFFAOYSA-N	-1	0	255.018	1.668	40	0		CDABRM
CCc1nn2c([n-]1)nc(-c1ccccc1C)cc2=O	ZINC000016989426	529747373	/nfs/dbraw/zinc/74/73/73/529747373.db2.gz	RMGYGEYUIBVAOX-UHFFFAOYSA-N	-1	0	254.293	1.955	40	0		CDABRM
O=C([O-])[C@H]1CC(=O)O[C@@H]1c1ccc(O)c(Cl)c1	ZINC000085393366	179048606	/nfs/dbraw/zinc/04/86/06/179048606.db2.gz	WHMWWFZRSMYFFA-QUBYGPBYSA-N	-1	0	256.641	1.734	40	0		CDABRM
C[C@H]1CCCCN1c1nsnc1OCC(=O)[O-]	ZINC000085394174	179049225	/nfs/dbraw/zinc/04/92/25/179049225.db2.gz	CIZIYUPWRYSAPG-ZETCQYMHSA-N	-1	0	257.315	1.380	40	0		CDABRM
CSc1nc2n(n1)[C@@H](c1cccnc1)CC(C(=O)[O-])=N2	ZINC000102335756	185774606	/nfs/dbraw/zinc/77/46/06/185774606.db2.gz	OIRAHCRKYNBDAN-SECBINFHSA-N	-1	0	289.320	1.378	40	0		CDABRM
CCCCCNC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)[O-]	ZINC000006042306	282674640	/nfs/dbraw/zinc/67/46/40/282674640.db2.gz	KDOOMMVINLZJMO-KXNHARMFSA-N	-1	0	251.326	1.816	40	0		CDABRM
COc1ccc(O)c(C(=O)N2CCC(CC(=O)[O-])CC2)c1	ZINC000110300663	186290677	/nfs/dbraw/zinc/29/06/77/186290677.db2.gz	AATHCBXNJGGAPL-UHFFFAOYSA-N	-1	0	293.319	1.728	40	0		CDABRM
O=C([O-])[C@H]1CCN(C(=O)c2cccc(Cn3ccnc3)c2)C1	ZINC000019746018	351347949	/nfs/dbraw/zinc/34/79/49/351347949.db2.gz	IJGNHSMYEKINAO-AWEZNQCLSA-N	-1	0	299.330	1.478	40	0		CDABRM
Cc1ccc(NC(=O)[C@H]2[C@@H](C(=O)[O-])[C@H]3C=C[C@@H]2O3)cc1C	ZINC000169304152	188656205	/nfs/dbraw/zinc/65/62/05/188656205.db2.gz	FTYPOSAFKRXDOQ-DGAVXFQQSA-N	-1	0	287.315	1.896	40	0		CDABRM
CCCN(CC(=O)[O-])S(=O)(=O)Cc1ccc(C)cc1	ZINC000262338548	283114096	/nfs/dbraw/zinc/11/40/96/283114096.db2.gz	ZSJPPTOSWZEUKZ-UHFFFAOYSA-N	-1	0	285.365	1.621	40	0		CDABRM
CN1C(=O)C=C([O-])N(C)[P@@]1(=O)Oc1ccccc1	ZINC000001563913	355940135	/nfs/dbraw/zinc/94/01/35/355940135.db2.gz	PNZQELYFDDUNEB-UHFFFAOYSA-N	-1	0	268.209	1.494	40	0		CDABRM
COCCNC(=S)Nc1ccc(C(=O)[O-])cc1O	ZINC000408586664	356006004	/nfs/dbraw/zinc/00/60/04/356006004.db2.gz	PODNVKZDFZHENA-UHFFFAOYSA-N	-1	0	270.310	1.023	40	0		CDABRM
C[C@H]1[C@@H](C(=O)[O-])[C@H](c2ccc(Cl)cc2)[NH2+][C@@H]1C(=O)[O-]	ZINC000004203149	356022099	/nfs/dbraw/zinc/02/20/99/356022099.db2.gz	CWSJTEZWAJPIKN-AOCCWBLSSA-N	-1	0	283.711	1.774	40	0		CDABRM
COC(=O)C=C(C)N[C@H](C(=O)[O-])C1=CCC=CC1	ZINC000100050216	358818666	/nfs/dbraw/zinc/81/86/66/358818666.db2.gz	KLSJALAGRWLJNT-LAUAKBEESA-N	-1	0	251.282	1.382	40	0		CDABRM
Cc1ccc(N2C(=O)C[C@@H](SCC(=O)[O-])C2=O)cc1C	ZINC000100855771	358835889	/nfs/dbraw/zinc/83/58/89/358835889.db2.gz	ADQKZHKCNBOOMS-LLVKDONJSA-N	-1	0	293.344	1.753	40	0		CDABRM
CSc1nc2n(n1)[C@H](c1ccccn1)CC(C(=O)[O-])=N2	ZINC000102335744	358875633	/nfs/dbraw/zinc/87/56/33/358875633.db2.gz	ICQJLJFWQSQJJS-VIFPVBQESA-N	-1	0	289.320	1.378	40	0		CDABRM
NC(=O)C(C(=O)C(=O)[O-])c1ccnc2ccccc21	ZINC000104056338	358944111	/nfs/dbraw/zinc/94/41/11/358944111.db2.gz	HLQDBOXQGNPZQM-KHPPLWFESA-N	-1	0	258.233	1.074	40	0		CDABRM
CC(=O)c1ccc(OCc2ncc(C(=O)[O-])cn2)cc1	ZINC000217380755	358997545	/nfs/dbraw/zinc/99/75/45/358997545.db2.gz	NEJCHIWRPBHGPU-UHFFFAOYSA-N	-1	0	272.260	1.956	40	0		CDABRM
Cn1cc([C@@H]2N[C@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cn1	ZINC000575410981	364756434	/nfs/dbraw/zinc/75/64/34/364756434.db2.gz	VUMLUDMRDHGQIS-KBPBESRZSA-N	-1	0	296.330	1.590	40	0		CDABRM
CCc1cccc(NC(=O)[C@H]2[C@@H](C(=O)[O-])[C@H]3C=C[C@@H]2O3)c1	ZINC000169619701	365043716	/nfs/dbraw/zinc/04/37/16/365043716.db2.gz	QZIMBOVHLJZHLU-DGAVXFQQSA-N	-1	0	287.315	1.842	40	0		CDABRM
O=C([O-])[C@@H]1[C@H]2C=C[C@]3(CN(c4ccc(F)cc4)C(=O)[C@H]13)O2	ZINC000100871439	304160504	/nfs/dbraw/zinc/16/05/04/304160504.db2.gz	FFNNGZCWWSPFHR-MCYUEQNJSA-N	-1	0	289.262	1.197	40	0		CDABRM
COC(=O)c1c([O-])c2ccsc2n(C(C)C)c1=O	ZINC000575623594	372075215	/nfs/dbraw/zinc/07/52/15/372075215.db2.gz	VLJLIALAMJDGPM-QMMMGPOBSA-N	-1	0	267.306	1.475	40	0		CDABRM
CCOc1cc(CO)c(Cl)cc1OCC(=O)[O-]	ZINC000095094784	374869510	/nfs/dbraw/zinc/86/95/10/374869510.db2.gz	QEZXWZDHIKHGDJ-UHFFFAOYSA-N	-1	0	260.673	1.694	40	0		CDABRM
CCS(=O)(=O)[C@@H]1[C@@H](c2ccccc2)[C@H]1C(=O)[O-]	ZINC000218028651	375779378	/nfs/dbraw/zinc/77/93/78/375779378.db2.gz	QFZQFEKJMVWVJE-HBNTYKKESA-N	-1	0	254.307	1.288	40	0		CDABRM
C[C@@H](Oc1ccc2nc3n(c(=O)c2c1)CCC3)C(=O)[O-]	ZINC000218787354	375896451	/nfs/dbraw/zinc/89/64/51/375896451.db2.gz	MPUDUBDHLJIAAU-MRVPVSSYSA-N	-1	0	274.276	1.195	40	0		CDABRM
CC[C@@H](NC(=O)c1c([O-])cc(F)cc1F)c1nnc(C)[nH]1	ZINC000081737848	177847872	/nfs/dbraw/zinc/84/78/72/177847872.db2.gz	WBZKHNQNNSWRSE-SECBINFHSA-N	-1	0	296.277	1.978	40	0		CDABRM
O=C([O-])[C@H]1CC(=O)N(c2cnn(CC3CCC3)c2)C1	ZINC000096528930	390539568	/nfs/dbraw/zinc/53/95/68/390539568.db2.gz	WNQPJTGJLFTMFJ-JTQLQIEISA-N	-1	0	263.297	1.121	40	0		CDABRM
C[C@@]12C=C[C@@H](O1)[C@H](C(=O)[O-])[C@@H]2C(=O)Nc1ccc(F)cc1	ZINC000409378481	390974095	/nfs/dbraw/zinc/97/40/95/390974095.db2.gz	PWSFMDWDJYMDGR-ZAZJYDDPSA-N	-1	0	291.278	1.809	40	0		CDABRM
O=C([O-])c1nnc2sc(-c3ccc(F)cc3)nn21	ZINC000057338988	304285017	/nfs/dbraw/zinc/28/50/17/304285017.db2.gz	UUPDLEYPTOQOIG-UHFFFAOYSA-N	-1	0	264.241	1.690	40	0		CDABRM
COc1cc([C@@H]2COC(=O)[C@@H]2C(=O)[O-])cc(OC)c1OC	ZINC000242687714	391944839	/nfs/dbraw/zinc/94/48/39/391944839.db2.gz	URRWGMJSIAKNBC-KWQFWETISA-N	-1	0	296.275	1.054	40	0		CDABRM
COC(=O)c1nc(=O)c2c3c(sc2[n-]1)CCCC3	ZINC000001516605	292036211	/nfs/dbraw/zinc/03/62/11/292036211.db2.gz	IRIVBQWHKQHWME-UHFFFAOYSA-N	-1	0	264.306	1.650	40	0		CDABRM
O=C([O-])[C@@H]1[C@@H](C(=O)N2CCc3ccccc32)[C@H]2C=C[C@@H]1O2	ZINC000005776385	170139668	/nfs/dbraw/zinc/13/96/68/170139668.db2.gz	QQBZWECDNHYQST-RFGFWPKPSA-N	-1	0	285.299	1.230	40	0		CDABRM
CCNS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1	ZINC000021950105	171339615	/nfs/dbraw/zinc/33/96/15/171339615.db2.gz	HWAKXAIIYRBOCH-UHFFFAOYSA-N	-1	0	263.702	1.336	40	0		CDABRM
O=C([O-])CNC(=O)CCc1ccc(Br)cc1	ZINC000071642557	176239010	/nfs/dbraw/zinc/23/90/10/176239010.db2.gz	ZZPYMGBSKOPTSH-UHFFFAOYSA-N	-1	0	286.125	1.583	40	0		CDABRM
O=C([N-]O[C@@H]1CCCCO1)c1n[nH]c(=O)c2ccccc21	ZINC000072059988	176311713	/nfs/dbraw/zinc/31/17/13/176311713.db2.gz	NIWSFZNWNMHCHD-LLVKDONJSA-N	-1	0	289.291	1.111	40	0		CDABRM
O=C1[N-]C(=O)/C(=C\c2ccc(O)c(Br)c2)N1	ZINC000100289280	280278384	/nfs/dbraw/zinc/27/83/84/280278384.db2.gz	XVZYUOXRDBSMPD-QPJJXVBHSA-N	-1	0	283.081	1.335	40	0		CDABRM
CC(C)c1ccc(/C=C2/NC(=O)N(CC(=O)[O-])C2=O)cc1	ZINC000408589775	280589966	/nfs/dbraw/zinc/58/99/66/280589966.db2.gz	FMEHOKXTOFGPFY-KPKJPENVSA-N	-1	0	288.303	1.787	40	0		CDABRM
Cc1cc(C(=O)N([C@H](C)C(=O)[O-])C2CC2)oc1C	ZINC000561736829	293101056	/nfs/dbraw/zinc/10/10/56/293101056.db2.gz	ZLYUYGFUKCZSIG-MRVPVSSYSA-N	-1	0	251.282	1.974	40	0		CDABRM
CCC[C@@H](C)c1cc(=NC(=O)[C@@H](C)C(=O)[O-])[nH][nH]1	ZINC000574572503	295020648	/nfs/dbraw/zinc/02/06/48/295020648.db2.gz	XUCGQNYRESTRDQ-HTQZYQBOSA-N	-1	0	253.302	1.394	40	0		CDABRM
C[C@H]1Oc2cc(Cl)ccc2N(CC(=O)[O-])C1=O	ZINC000084799091	300645944	/nfs/dbraw/zinc/64/59/44/300645944.db2.gz	WUADZRVGXNOBDL-ZCFIWIBFSA-N	-1	0	255.657	1.539	40	0		CDABRM
Cc1cc(C)n(C(=O)[C@H]2[C@@H](C(=O)[O-])[C@H]3CC[C@@H]2O3)n1	ZINC000016990711	301236012	/nfs/dbraw/zinc/23/60/12/301236012.db2.gz	AOFJPWBHGXBNTE-ZDCRXTMVSA-N	-1	0	264.281	1.018	40	0		CDABRM
CCc1cc(C(=O)N2CCC[C@H]2CC(=O)[O-])n(C)n1	ZINC000090125630	483195157	/nfs/dbraw/zinc/19/51/57/483195157.db2.gz	AXGAOUSMBUABEL-JTQLQIEISA-N	-1	0	265.313	1.062	40	0		CDABRM
O=C([O-])C(=O)c1ccc(OC(F)(F)F)c(F)c1	ZINC000095740248	185024451	/nfs/dbraw/zinc/02/44/51/185024451.db2.gz	MHWSWPCGARSJBU-UHFFFAOYSA-N	-1	0	252.119	1.992	40	0		CDABRM
C[C@@H](COC1(C)CN(C(=O)OC(C)(C)C)C1)C(=O)[O-]	ZINC000095943610	185036985	/nfs/dbraw/zinc/03/69/85/185036985.db2.gz	BWCQDMKQFNZNBI-VIFPVBQESA-N	-1	0	273.329	1.733	40	0		CDABRM
COC[C@]1(C(=O)[O-])CCCN1C(=O)CC[C@H]1CCCO1	ZINC000643849979	361936821	/nfs/dbraw/zinc/93/68/21/361936821.db2.gz	IWSKDSHNSBDGPU-RISCZKNCSA-N	-1	0	285.340	1.038	40	0		CDABRM
C[Si](C)(C)n1[nH][n-]c2c(=O)n(-c3ccccc3)c(=O)c1=2	ZINC000195770642	539094367	/nfs/dbraw/zinc/09/43/67/539094367.db2.gz	FAVFYPSADZQLKE-WDEREUQCSA-N	-1	0	288.383	1.815	40	0		CDABRM
O=C([O-])CN(CC1CC1)C(=O)[C@H]1COc2ccccc2O1	ZINC000036884122	539141422	/nfs/dbraw/zinc/14/14/22/539141422.db2.gz	YEOIUNFYYHFBMK-CYBMUJFWSA-N	-1	0	291.303	1.150	40	0		CDABRM
C[C@H](CC(=O)OC(C)(C)C)n1cc(C(=O)[O-])cn1	ZINC000408716714	365728929	/nfs/dbraw/zinc/72/89/29/365728929.db2.gz	QDSUGMQQYKUJRR-MRVPVSSYSA-N	-1	0	254.286	1.874	40	0		CDABRM
CCOc1cc([C@H]2OC(=O)C[C@@H]2C(=O)[O-])ccc1O	ZINC000085394158	179048451	/nfs/dbraw/zinc/04/84/51/179048451.db2.gz	IKDFVECMMFRLKW-QPUJVOFHSA-N	-1	0	266.249	1.480	40	0		CDABRM
CC(C)(C)OC(=O)c1nccc(CC(=O)[O-])c1N	ZINC000090694268	180025874	/nfs/dbraw/zinc/02/58/74/180025874.db2.gz	XCFCJRSFVHWONP-UHFFFAOYSA-N	-1	0	252.270	1.246	40	0		CDABRM
CC(=O)[C@@H](Cc1ccccc1)[N-]C(=O)C(F)(F)F	ZINC000001563850	355940150	/nfs/dbraw/zinc/94/01/50/355940150.db2.gz	ZFHNTQVDJNYPFS-SNVBAGLBSA-N	-1	0	259.227	1.865	40	0		CDABRM
O=S(=O)([O-])CCCCS(=O)(=O)c1ccccc1	ZINC000001666941	355945092	/nfs/dbraw/zinc/94/50/92/355945092.db2.gz	ATULUCPAXDVZDT-UHFFFAOYSA-N	-1	0	278.351	1.128	40	0		CDABRM
CC[C@H](C)NC(=O)COc1cc(C)ccc1C(=O)[O-]	ZINC000013034411	356336191	/nfs/dbraw/zinc/33/61/91/356336191.db2.gz	DEOVPZXGUULCDV-JTQLQIEISA-N	-1	0	265.309	1.987	40	0		CDABRM
CC[C@H](C)NC(=O)COc1ccccc1C(=O)[O-]	ZINC000013034427	356336342	/nfs/dbraw/zinc/33/63/42/356336342.db2.gz	MJIBYVJEGOWNFN-VIFPVBQESA-N	-1	0	251.282	1.678	40	0		CDABRM
Cc1nnc(S[C@H](C)C(=O)NC2CCCCC2)[n-]c1=O	ZINC000013566307	356348469	/nfs/dbraw/zinc/34/84/69/356348469.db2.gz	CTGMWYNJCGQVRZ-SECBINFHSA-N	-1	0	296.396	1.403	40	0		CDABRM
Cc1ccc(N2C(=O)C[C@H](SCC(=O)[O-])C2=O)c(C)c1	ZINC000018004985	356464413	/nfs/dbraw/zinc/46/44/13/356464413.db2.gz	BNICDGOKVORKFU-NSHDSACASA-N	-1	0	293.344	1.753	40	0		CDABRM
Nc1ccc2nn(-c3ccc(C(=O)[O-])cc3)nc2c1	ZINC000020156633	356528024	/nfs/dbraw/zinc/52/80/24/356528024.db2.gz	KVSYFGYZRGOBML-UHFFFAOYSA-N	-1	0	254.249	1.701	40	0		CDABRM
CC(C)(C)OC(=O)N[C@H]1CC[C@H](CC(=O)[O-])C1=O	ZINC000064219590	357521634	/nfs/dbraw/zinc/52/16/34/357521634.db2.gz	GQMNNPWVHIUYNM-SFYZADRCSA-N	-1	0	257.286	1.334	40	0		CDABRM
O=C([O-])[C@H]1[C@@H]2C=C[C@@H](CC2)[C@@H]1C(=O)NCc1cccnc1	ZINC000222429523	359341701	/nfs/dbraw/zinc/34/17/01/359341701.db2.gz	OHUIMECECYWTRW-CRWXNKLISA-N	-1	0	286.331	1.611	40	0		CDABRM
NN1C(=O)c2cccc3c(C(=O)[O-])ccc(c32)C1=O	ZINC000000284464	359431050	/nfs/dbraw/zinc/43/10/50/359431050.db2.gz	UQEVRZOHAWNWFM-UHFFFAOYSA-N	-1	0	256.217	1.008	40	0		CDABRM
Cc1ccc(F)cc1NC(=O)[C@@H]1[C@@H](C(=O)[O-])[C@H]2C=C[C@@H]1O2	ZINC000225786676	359616786	/nfs/dbraw/zinc/61/67/86/359616786.db2.gz	PDOYOFIPRBTXAS-RNJOBUHISA-N	-1	0	291.278	1.727	40	0		CDABRM
O=C([N-]S(=O)(=O)c1ccccc1)[C@@H]1CC[C@H]2C[C@H]2C1	ZINC000408504542	361504824	/nfs/dbraw/zinc/50/48/24/361504824.db2.gz	VFTKQLGXKCTWPJ-TUAOUCFPSA-N	-1	0	279.361	1.928	40	0		CDABRM
C[C@@H](CN(C(=O)c1cc(C2CC2)n[nH]1)C1CC1)C(=O)[O-]	ZINC000237468132	364039984	/nfs/dbraw/zinc/03/99/84/364039984.db2.gz	FWUMJYGJZHHROM-QMMMGPOBSA-N	-1	0	277.324	1.612	40	0		CDABRM
O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)NCCc1ccncc1	ZINC000000808159	364240766	/nfs/dbraw/zinc/24/07/66/364240766.db2.gz	WIFRIQKOEKPSMK-CHWSQXEVSA-N	-1	0	274.320	1.407	40	0		CDABRM
CC(C)O[C@@H]1C(=O)N(Cc2ccccc2)[C@@H]1C(=O)[O-]	ZINC000218279529	365236205	/nfs/dbraw/zinc/23/62/05/365236205.db2.gz	UYLCZECCMKNUSM-RYUDHWBXSA-N	-1	0	263.293	1.276	40	0		CDABRM
O=C([O-])[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)Nc1cccnc1	ZINC000003096438	304155756	/nfs/dbraw/zinc/15/57/56/304155756.db2.gz	MEGKOTWHALFPHX-BSJXLVFVSA-N	-1	0	258.277	1.543	40	0		CDABRM
CCOc1cccc(CN2C(=O)CC[C@@H]2C(=O)[O-])c1	ZINC000011727230	374460280	/nfs/dbraw/zinc/46/02/80/374460280.db2.gz	PJMPOCFLWLFNGO-GFCCVEGCSA-N	-1	0	263.293	1.661	40	0		CDABRM
CC(C)(C)OC(=O)N[C@@H](C(=O)[O-])C12CC(F)(C1)C2	ZINC000258830615	190038448	/nfs/dbraw/zinc/03/84/48/190038448.db2.gz	HSQJBHKVTZBYBG-PUVKNVPGSA-N	-1	0	259.277	1.857	40	0		CDABRM
Cc1cc(OCC(=O)[O-])ccc1NC(=O)[C@H]1CCCOC1	ZINC000262059965	190047955	/nfs/dbraw/zinc/04/79/55/190047955.db2.gz	GXTZRKLDZDOFQF-NSHDSACASA-N	-1	0	293.319	1.824	40	0		CDABRM
CN1c2cc(Br)ccc2[N-]S1(=O)=O	ZINC000141453449	377486753	/nfs/dbraw/zinc/48/67/53/377486753.db2.gz	ZCWOEEDQKXMJSG-UHFFFAOYSA-N	-1	0	263.116	1.556	40	0		CDABRM
O=c1[n-]c(Cl)ncc1I	ZINC000142639195	378729317	/nfs/dbraw/zinc/72/93/17/378729317.db2.gz	OEAPCAURHYRHQQ-UHFFFAOYSA-N	-1	0	256.430	1.440	40	0		CDABRM
COCCNC(=O)CC1(C(=O)[O-])CCCCCCC1	ZINC000072209747	390618976	/nfs/dbraw/zinc/61/89/76/390618976.db2.gz	UYMAJKIHPRUFMJ-UHFFFAOYSA-N	-1	0	271.357	1.954	40	0		CDABRM
Cc1cc(=O)n2[n-]cc(NC(=O)c3ccccc3)c2n1	ZINC000027562070	391525863	/nfs/dbraw/zinc/52/58/63/391525863.db2.gz	GSJGRBLMOZMOEO-UHFFFAOYSA-N	-1	0	268.276	1.583	40	0		CDABRM
CC(C)C[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)[O-]	ZINC000002045122	169771906	/nfs/dbraw/zinc/77/19/06/169771906.db2.gz	SXWRIQLFHIQDFV-GFCCVEGCSA-N	-1	0	285.365	1.605	40	0		CDABRM
Cc1[n-]n(-c2ccccc2)c(=O)c1C=C1N=C(C)OC1=O	ZINC000005396953	170094953	/nfs/dbraw/zinc/09/49/53/170094953.db2.gz	WVPXVMAXUAGYAT-OEMOTLHWSA-N	-1	0	283.287	1.884	40	0		CDABRM
CC(=O)c1ccc([O-])c(I)c1O	ZINC000006822334	170246438	/nfs/dbraw/zinc/24/64/38/170246438.db2.gz	JHTYTCIQMRHXMP-UHFFFAOYSA-N	-1	0	278.045	1.905	40	0		CDABRM
CC(C)OC(=O)c1ccc(N2C[C@H](C(=O)[O-])CC2=O)cc1	ZINC000007881349	170305995	/nfs/dbraw/zinc/30/59/95/170305995.db2.gz	SHBHVVPJKXHFNF-LLVKDONJSA-N	-1	0	291.303	1.689	40	0		CDABRM
O=C([O-])c1cccc(OCCCN2CCOCC2)c1	ZINC000008731494	170351379	/nfs/dbraw/zinc/35/13/79/170351379.db2.gz	ZTEIZSGNGNVWKM-UHFFFAOYSA-N	-1	0	265.309	1.486	40	0		CDABRM
COc1ccc(Cc2ncc(C(=O)[O-])c(=O)[nH]2)cc1OC	ZINC000020134329	171021788	/nfs/dbraw/zinc/02/17/88/171021788.db2.gz	MXQJKEOPUKVZDZ-UHFFFAOYSA-N	-1	0	290.275	1.076	40	0		CDABRM
CC1=C[C@@H](C)[C@H](C(=O)[O-])[C@@H](C(=O)N2CCN(C)CC2)C1	ZINC000101308501	412103650	/nfs/dbraw/zinc/10/36/50/412103650.db2.gz	WWKUJJPNJHOTEE-AGIUHOORSA-N	-1	0	280.368	1.064	40	0		CDABRM
Cc1nn(C)c(Cl)c1/C=C/C(=O)NC[C@H](C)C(=O)[O-]	ZINC000054310878	175557678	/nfs/dbraw/zinc/55/76/78/175557678.db2.gz	JXKCIFJVUGSROO-KPJROHGDSA-N	-1	0	285.731	1.232	40	0		CDABRM
CCOC(=O)C1=NN(c2cc(C)ccc2C)[C@@H](C(=O)[O-])C1	ZINC000071979324	176307829	/nfs/dbraw/zinc/30/78/29/176307829.db2.gz	YJLYZHWGSFHBOT-CYBMUJFWSA-N	-1	0	290.319	1.886	40	0		CDABRM
CC(C)(O)C1=CC[C@@]23CO[C@@H](C2)[C@](O)(C(=O)[O-])CC[C@H]13	ZINC000253374181	278637389	/nfs/dbraw/zinc/63/73/89/278637389.db2.gz	LKOCXGZSSYQSLN-PKIAMQTDSA-N	-1	0	282.336	1.088	40	0	biogenic,in-vitro	CDABRM
COc1ccc2cc(S(=O)(=O)[O-])ccc2c1N	ZINC000001577200	295278933	/nfs/dbraw/zinc/27/89/33/295278933.db2.gz	OXQJOAGKNHVOAI-UHFFFAOYSA-N	-1	0	253.279	1.677	40	0		CDABRM
Cc1cc2c(N3CCC(C(=O)[O-])CC3)nccn2n1	ZINC000096516373	301435094	/nfs/dbraw/zinc/43/50/94/301435094.db2.gz	MKRSTPICDCCVJQ-UHFFFAOYSA-N	-1	0	260.297	1.339	40	0		CDABRM
CN(C)c1nc(Br)c(C(=O)[O-])nc1Cl	ZINC000225748646	333182410	/nfs/dbraw/zinc/18/24/10/333182410.db2.gz	PDTRQBRKOKZCDB-UHFFFAOYSA-N	-1	0	280.509	1.657	40	0		CDABRM
COc1ccc(-c2nnc(SCC(=O)[O-])n2C)cc1F	ZINC000116937287	523261747	/nfs/dbraw/zinc/26/17/47/523261747.db2.gz	MCMILUIOBRPONR-UHFFFAOYSA-N	-1	0	297.311	1.807	40	0		CDABRM
O=C([O-])c1ccc([N+](=O)[O-])cc1C(=O)NCc1ccco1	ZINC000082251365	342556837	/nfs/dbraw/zinc/55/68/37/342556837.db2.gz	WYQOUTQUKPCMNH-UHFFFAOYSA-N	-1	0	290.231	1.816	40	0		CDABRM
COCc1nc(N2CCCCC2)ncc1C(=O)[O-]	ZINC000076494912	136493521	/nfs/dbraw/zinc/49/35/21/136493521.db2.gz	QHGHDHVTTDDGMW-UHFFFAOYSA-N	-1	0	251.286	1.312	40	0		CDABRM
COc1ccc(N=C2S[C@@H](C(=O)[O-])CC(=O)N2C)cc1	ZINC000000245895	346023220	/nfs/dbraw/zinc/02/32/20/346023220.db2.gz	SHHMYICJNAACAQ-SNVBAGLBSA-N	-1	0	294.332	1.731	40	0		CDABRM
O=C([O-])c1csc(CCNC(=O)C[C@H]2C=CCC2)n1	ZINC000090939858	180068423	/nfs/dbraw/zinc/06/84/23/180068423.db2.gz	JZZFNAPTUBENSK-VIFPVBQESA-N	-1	0	280.349	1.856	40	0		CDABRM
CC(=O)N[C@@H](CSc1ccc(F)cc1)C(=O)[O-]	ZINC000002540775	355974079	/nfs/dbraw/zinc/97/40/79/355974079.db2.gz	MMFMNCSNACXBFZ-JTQLQIEISA-N	-1	0	257.286	1.507	40	0	in-vitro	CDABRM
Nc1c(C(=O)[O-])cnn1-c1ncccc1C(F)(F)F	ZINC000016158434	356433261	/nfs/dbraw/zinc/43/32/61/356433261.db2.gz	WEEKUPDRONJNKX-UHFFFAOYSA-N	-1	0	272.186	1.567	40	0		CDABRM
Cc1nn(-c2ccccc2)c2[nH]c(=O)c(CCC(=O)[O-])nc12	ZINC000016266303	356435388	/nfs/dbraw/zinc/43/53/88/356435388.db2.gz	ANHTXYAWUOFLTJ-UHFFFAOYSA-N	-1	0	298.302	1.434	40	0		CDABRM
CCC(CC)(CNC(=O)c1ccc(C)[nH]c1=O)C(=O)[O-]	ZINC000164854274	363539859	/nfs/dbraw/zinc/53/98/59/363539859.db2.gz	HJKNZVADZXXBKI-UHFFFAOYSA-N	-1	0	280.324	1.304	40	0		CDABRM
Cc1ccccc1OCc1nc(C(=O)[O-])cc(=O)[nH]1	ZINC000049470115	357217157	/nfs/dbraw/zinc/21/71/57/357217157.db2.gz	AVVMTUDETWSGMO-UHFFFAOYSA-N	-1	0	260.249	1.356	40	0		CDABRM
CCc1ccc(OCc2ncc(C(=O)[O-])c(=O)[nH]2)cc1	ZINC000058038085	357374686	/nfs/dbraw/zinc/37/46/86/357374686.db2.gz	AXMDBTOHWSHLEL-UHFFFAOYSA-N	-1	0	274.276	1.610	40	0		CDABRM
CCn1ncc(N2CCC[C@@H](C(=O)[O-])C2)c(Cl)c1=O	ZINC000096516189	357522206	/nfs/dbraw/zinc/52/22/06/357522206.db2.gz	PIKJGWXJWHBVCG-MRVPVSSYSA-N	-1	0	285.731	1.218	40	0		CDABRM
O=C([O-])C[C@@H](CC(=O)N1CCC(O)CC1)c1ccccc1	ZINC000226750158	304073165	/nfs/dbraw/zinc/07/31/65/304073165.db2.gz	HAFZXOJVJLXYGM-CYBMUJFWSA-N	-1	0	291.347	1.618	40	0		CDABRM
CCc1ccccc1S(=O)(=O)NC[C@H](C(=O)[O-])C(C)C	ZINC000277286659	366387317	/nfs/dbraw/zinc/38/73/17/366387317.db2.gz	QKIRYAOFFNQCHZ-LBPRGKRZSA-N	-1	0	299.392	1.884	40	0		CDABRM
O=C([O-])[C@@H]1[C@@H](C(=O)NCCC2=CCCCC2)[C@H]2C=C[C@@H]1O2	ZINC000004197516	358575406	/nfs/dbraw/zinc/57/54/06/358575406.db2.gz	DHYQIKJQFFCKFX-RFGFWPKPSA-N	-1	0	291.347	1.647	40	0		CDABRM
Cn1ccc([C@H]2N[C@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)n1	ZINC000575410792	364762727	/nfs/dbraw/zinc/76/27/27/364762727.db2.gz	JGHGRTVWLWATPQ-DZGCQCFKSA-N	-1	0	296.330	1.590	40	0		CDABRM
CC1CCN(C(=O)CN2CCC[C@@]2(C)C(=O)[O-])CC1	ZINC000079488592	369852553	/nfs/dbraw/zinc/85/25/53/369852553.db2.gz	LCPFZBIGAKGZPD-AWEZNQCLSA-N	-1	0	268.357	1.184	40	0		CDABRM
Cc1cncc([C@H]2CCCN2C(=O)CCC(=O)[O-])n1	ZINC000257291172	190028086	/nfs/dbraw/zinc/02/80/86/190028086.db2.gz	QFYVFILMJOQLQP-LLVKDONJSA-N	-1	0	263.297	1.313	40	0		CDABRM
COc1cccc(COn2cccc(C(=O)[O-])c2=O)c1	ZINC000041670622	375842007	/nfs/dbraw/zinc/84/20/07/375842007.db2.gz	ZGTSUGUFXHNNFA-UHFFFAOYSA-N	-1	0	275.260	1.184	40	0		CDABRM
Cc1ccc(S(=O)(=O)[N-]c2cnc(N(C)C)nc2)cc1	ZINC000133969980	375872075	/nfs/dbraw/zinc/87/20/75/375872075.db2.gz	FPQOGKWWSFLHPJ-UHFFFAOYSA-N	-1	0	292.364	1.652	40	0		CDABRM
Cn1cc(OCc2ccc(F)cc2)c(=O)cc1C(=O)[O-]	ZINC000041127946	379336546	/nfs/dbraw/zinc/33/65/46/379336546.db2.gz	ZIZUYFKVNAPTAT-UHFFFAOYSA-N	-1	0	277.251	1.802	40	0		CDABRM
Cc1noc([C@@H](C)NC(=O)c2cccn2C)c1C(=O)[O-]	ZINC000096297026	256792110	/nfs/dbraw/zinc/79/21/10/256792110.db2.gz	NCEPPQXARALWRD-MRVPVSSYSA-N	-1	0	277.280	1.511	40	0	biogenic,in-vitro	CDABRM
C[C@H](c1cccc(F)c1)n1nccc(C(=O)[O-])c1=O	ZINC000095097651	184943235	/nfs/dbraw/zinc/94/32/35/184943235.db2.gz	LJTPAZFORBAQQM-MRVPVSSYSA-N	-1	0	262.240	1.690	40	0		CDABRM
CC(C)Nc1c(Br)cncc1S(=O)(=O)[O-]	ZINC000072210933	390617980	/nfs/dbraw/zinc/61/79/80/390617980.db2.gz	CMNSISVWEGDRQA-UHFFFAOYSA-N	-1	0	295.158	1.911	40	0		CDABRM
Cc1nnnn1[C@@H](Cc1ccc(Cl)cc1)C(=O)[O-]	ZINC000072221054	390622271	/nfs/dbraw/zinc/62/22/71/390622271.db2.gz	VSGISWVNOWJZML-JTQLQIEISA-N	-1	0	266.688	1.503	40	0		CDABRM
CCS(=O)(=O)[C@@H]1[C@@H](c2ccccc2)[C@]1(COC)C(=O)[O-]	ZINC000242425530	393064469	/nfs/dbraw/zinc/06/44/69/393064469.db2.gz	BNQDVPWQAXSPKA-BZPMIXESSA-N	-1	0	298.360	1.305	40	0		CDABRM
CCOc1cc(N2CCCC[C@H]2C(=O)[O-])ncn1	ZINC000079438844	286556069	/nfs/dbraw/zinc/55/60/69/286556069.db2.gz	SQFPKUCSHYYMOS-VIFPVBQESA-N	-1	0	251.286	1.319	40	0		CDABRM
COc1ccc(NC(=O)[C@H]2[C@H]3C=C[C@H](O3)[C@@H]2C(=O)[O-])cc1	ZINC000005042610	170059959	/nfs/dbraw/zinc/05/99/59/170059959.db2.gz	ZSIKAGWRGIBEAD-VOAKCMCISA-N	-1	0	289.287	1.288	40	0		CDABRM
C[C@@H](CCC[C@@H]1SC[C@H]2NC(=O)N[C@H]12)C(=O)[O-]	ZINC000005086394	170065288	/nfs/dbraw/zinc/06/52/88/170065288.db2.gz	UBBSLIBPXCFHDN-KZVJFYERSA-N	-1	0	258.343	1.043	40	0	in-vitro	CDABRM
O=C([O-])[C@H]1[C@@H]2C=C[C@@H](O2)[C@H]1C(=O)NC1CCCCCCC1	ZINC000005621490	170121074	/nfs/dbraw/zinc/12/10/74/170121074.db2.gz	OSULCULODZEJKV-RQJABVFESA-N	-1	0	293.363	1.870	40	0		CDABRM
O=C([O-])[C@@H]1[C@@H](C(=O)NC2CCCCCCC2)[C@H]2C=C[C@@H]1O2	ZINC000005621492	170121239	/nfs/dbraw/zinc/12/12/39/170121239.db2.gz	OSULCULODZEJKV-RFGFWPKPSA-N	-1	0	293.363	1.870	40	0		CDABRM
Cc1cc(C)cc(-n2c(=O)[nH]c(C)c(CC(=O)[O-])c2=O)c1	ZINC000020156480	171039167	/nfs/dbraw/zinc/03/91/67/171039167.db2.gz	VOBNLJMKLFAVNU-UHFFFAOYSA-N	-1	0	288.303	1.078	40	0		CDABRM
O=C([O-])CSc1n[nH]c(-c2ccc(F)cc2)n1	ZINC000020159412	171039857	/nfs/dbraw/zinc/03/98/57/171039857.db2.gz	CKWAFOPWVBJWQA-UHFFFAOYSA-N	-1	0	253.258	1.788	40	0		CDABRM
O=C([O-])[C@@H]1CC(=O)N(c2ccc(F)c(F)c2F)C1	ZINC000021953116	171340754	/nfs/dbraw/zinc/34/07/54/171340754.db2.gz	YLTZALNXOUIYJQ-RXMQYKEDSA-N	-1	0	259.183	1.541	40	0		CDABRM
Cc1nc(-c2ccccc2F)[nH]c(=O)c1CC(=O)[O-]	ZINC000022124152	171353755	/nfs/dbraw/zinc/35/37/55/171353755.db2.gz	NRRKRVFAAZQELX-UHFFFAOYSA-N	-1	0	262.240	1.512	40	0		CDABRM
O=C([O-])c1cc(=O)c(OCOCc2ccccc2)co1	ZINC000072202820	176341681	/nfs/dbraw/zinc/34/16/81/176341681.db2.gz	YKXDMHXGPRQOMJ-UHFFFAOYSA-N	-1	0	276.244	1.891	40	0		CDABRM
CC(C)(C)OC(=O)N1CC2(CO[C@@H]2CC(=O)[O-])C1	ZINC000306145895	278380693	/nfs/dbraw/zinc/38/06/93/278380693.db2.gz	UVWFHBRMKZMOKN-MRVPVSSYSA-N	-1	0	257.286	1.097	40	0		CDABRM
CC(C)(C)OC(=O)N1C[C@H](CC(=O)[O-])OCC1(C)C	ZINC000089211663	278417995	/nfs/dbraw/zinc/41/79/95/278417995.db2.gz	PJFDZRPZIHFHQV-VIFPVBQESA-N	-1	0	273.329	1.876	40	0		CDABRM
CC(C)C[C@H](NC(=O)c1ccccc1C(=O)[O-])C(N)=O	ZINC000005454157	279190944	/nfs/dbraw/zinc/19/09/44/279190944.db2.gz	RTGNRXDDOPPVDN-NSHDSACASA-N	-1	0	278.308	1.015	40	0		CDABRM
Cc1nc2n(n1)[C@@H]([C@H]1CC=CCC1)CC(C(=O)[O-])=N2	ZINC000102278447	302683995	/nfs/dbraw/zinc/68/39/95/302683995.db2.gz	SBJIMYFMZSFTHT-GXSJLCMTSA-N	-1	0	260.297	1.878	40	0		CDABRM
CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)[O-])SC1	ZINC000225800169	333182628	/nfs/dbraw/zinc/18/26/28/333182628.db2.gz	IILRBGGJIHLPTL-YUMQZZPRSA-N	-1	0	261.343	1.860	40	0		CDABRM
COc1cc2c(=O)ccn([C@@H](C)C(=O)[O-])c2cc1OC	ZINC000062718792	522987632	/nfs/dbraw/zinc/98/76/32/522987632.db2.gz	CEOCZHJXNZHTBJ-QMMMGPOBSA-N	-1	0	277.276	1.664	40	0		CDABRM
Cc1ccc(C[C@@H]2SC[C@@H](C(=O)[O-])NC2=O)cc1C	ZINC000062712082	524668464	/nfs/dbraw/zinc/66/84/64/524668464.db2.gz	IZZHGKZKQSZYFV-RYUDHWBXSA-N	-1	0	279.361	1.531	40	0		CDABRM
COC[C@@](C)(CC(=O)[O-])NC(=O)c1ccccc1Cl	ZINC000237199548	601296528	/nfs/dbraw/zinc/29/65/28/601296528.db2.gz	WBZGOWJGXVBNEF-CYBMUJFWSA-N	-1	0	285.727	1.950	40	0		CDABRM
O=C([O-])c1ccc2cc(I)[nH]c2n1	ZINC000238661106	1158448748	/nfs/dbraw/zinc/44/87/48/1158448748.db2.gz	FKHRCPLFCVOEHQ-UHFFFAOYSA-N	-1	0	288.044	1.866	40	0		CDABRM
CC(C)[C@H](NC(=O)OCc1ccc([N+](=O)[O-])cc1)C(=O)[O-]	ZINC000002567656	734138801	/nfs/dbraw/zinc/13/88/01/734138801.db2.gz	XXXLMCCEDSQNFW-NSHDSACASA-N	-1	0	296.279	1.930	40	0		CDABRM
COC[C@@H]1C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	ZINC000140039860	734777622	/nfs/dbraw/zinc/77/76/22/734777622.db2.gz	OHPUCEUCBHBIAW-RKDXNWHRSA-N	-1	0	259.302	1.343	40	0		CDABRM
CCn1cnc2c1[C@@H](C(=O)[O-])CN(Cc1ccco1)C2	ZINC000096067832	185085707	/nfs/dbraw/zinc/08/57/07/185085707.db2.gz	KSAUESQOHAVMLE-NSHDSACASA-N	-1	0	275.308	1.680	40	0		CDABRM
O=C([O-])[C@H]1CCCN(c2cc(-c3ccncc3)[nH]n2)C1	ZINC000096517188	342165887	/nfs/dbraw/zinc/16/58/87/342165887.db2.gz	LFSIWNGRXGRUBB-NSHDSACASA-N	-1	0	272.308	1.773	40	0		CDABRM
CO[C@@H]1CCCOC12CCN(C(=O)CCC(=O)[O-])CC2	ZINC000257207662	362576722	/nfs/dbraw/zinc/57/67/22/362576722.db2.gz	BIQVOXOFDBIHGA-LLVKDONJSA-N	-1	0	285.340	1.038	40	0		CDABRM
CC[C@@H](C(=O)[O-])c1ccc(COC(N)=O)c(O)c1	ZINC000263584365	345322469	/nfs/dbraw/zinc/32/24/69/345322469.db2.gz	RBPCELXFSRUMCJ-SECBINFHSA-N	-1	0	253.254	1.566	40	0		CDABRM
O=C([O-])[C@@H](CNC(=O)[C@@H]1CCCCO1)CC1CC1	ZINC000405442294	345449755	/nfs/dbraw/zinc/44/97/55/345449755.db2.gz	VVXGVOUZTJWQBE-MNOVXSKESA-N	-1	0	255.314	1.173	40	0		CDABRM
CCOc1cccc([C@H]2OC(=O)C[C@@H]2C(=O)[O-])c1	ZINC000085394587	179049261	/nfs/dbraw/zinc/04/92/61/179049261.db2.gz	MZQXXDVZFYRDML-CMPLNLGQSA-N	-1	0	250.250	1.774	40	0		CDABRM
O=C([O-])c1csc(CCNC(=O)C[C@@H]2C=CCC2)n1	ZINC000090939862	180067967	/nfs/dbraw/zinc/06/79/67/180067967.db2.gz	JZZFNAPTUBENSK-SECBINFHSA-N	-1	0	280.349	1.856	40	0		CDABRM
COCCn1cnc(-c2nc(C(=O)[O-])c3ccccn32)c1	ZINC000105577751	186065115	/nfs/dbraw/zinc/06/51/15/186065115.db2.gz	DJTYBEKBRABJTA-UHFFFAOYSA-N	-1	0	286.291	1.542	40	0		CDABRM
CCOC(=O)Cc1ccc(NC(=O)/C=C\C(=O)[O-])cc1	ZINC000034776403	355901539	/nfs/dbraw/zinc/90/15/39/355901539.db2.gz	IQKSODLSCVVIPX-FPLPWBNLSA-N	-1	0	277.276	1.372	40	0		CDABRM
CCCCNS(=O)(=O)c1cc(C(=O)[O-])ccc1F	ZINC000003019418	355992155	/nfs/dbraw/zinc/99/21/55/355992155.db2.gz	WACRLVJWHNQPAM-UHFFFAOYSA-N	-1	0	275.301	1.602	40	0		CDABRM
O=S(=O)([O-])[C@@H](O)c1ccc(Cl)cc1Cl	ZINC000001703043	355947873	/nfs/dbraw/zinc/94/78/73/355947873.db2.gz	NNXZYUFUJIGZHK-SSDOTTSWSA-N	-1	0	257.094	1.872	40	0		CDABRM
CC(=O)N[C@H](C(=O)[O-])[C@@H](C)c1c[nH]c2ccccc21	ZINC000001728130	355950001	/nfs/dbraw/zinc/95/00/01/355950001.db2.gz	BJZSSQKRXOYXCT-SDBXPKJASA-N	-1	0	260.293	1.861	40	0		CDABRM
CC[C@H](S[C@@H](C(=O)[O-])c1ccccc1)C(N)=O	ZINC000001751568	355950642	/nfs/dbraw/zinc/95/06/42/355950642.db2.gz	KZJVLZNKMHIYCB-VHSXEESVSA-N	-1	0	253.323	1.809	40	0		CDABRM
CCn1c(SCCC(=O)[O-])nnc1-c1cccnc1	ZINC000004163503	356021167	/nfs/dbraw/zinc/02/11/67/356021167.db2.gz	AXAMRWKKJRISCB-UHFFFAOYSA-N	-1	0	278.337	1.927	40	0		CDABRM
CNS(=O)(=O)c1ccc(NC(C)C)c(C(=O)[O-])c1	ZINC000013276573	356341227	/nfs/dbraw/zinc/34/12/27/356341227.db2.gz	SFMJREWFEWNPSX-UHFFFAOYSA-N	-1	0	272.326	1.113	40	0		CDABRM
CC(C)[C@@H]1CCC(CO)=C[C@@H]1/C=C(\CO)C(=O)[O-]	ZINC000015257885	356410787	/nfs/dbraw/zinc/41/07/87/356410787.db2.gz	SLVSUVFUFJKMCV-YPCNAFTDSA-N	-1	0	254.326	1.591	40	0	biogenic,in-vitro	CDABRM
O=C([O-])[C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C(=O)NC[C@@H]1CCCO1	ZINC000015746635	356423526	/nfs/dbraw/zinc/42/35/26/356423526.db2.gz	QZJPDCZBYMDOCY-KZZRWZIVSA-N	-1	0	267.325	1.029	40	0		CDABRM
Cc1ccc(OCc2ncc(C(=O)[O-])c(=O)[nH]2)c(C)c1	ZINC000058038164	357375037	/nfs/dbraw/zinc/37/50/37/357375037.db2.gz	SPWDAHVRCCSUAM-UHFFFAOYSA-N	-1	0	274.276	1.664	40	0		CDABRM
O=C([O-])[C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C(=O)NCc1ccccn1	ZINC000013147469	366450400	/nfs/dbraw/zinc/45/04/00/366450400.db2.gz	NOIMZFNDJUMGEK-JULQROHOSA-N	-1	0	274.320	1.445	40	0		CDABRM
Cc1csc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])n1	ZINC000004124258	358569509	/nfs/dbraw/zinc/56/95/09/358569509.db2.gz	XLLDXOLFVJYPTO-RGOKHQFPSA-N	-1	0	278.333	1.913	40	0		CDABRM
O=C([O-])c1cnc(CC(=O)Nc2ccccc2)nc1	ZINC000217353160	358995204	/nfs/dbraw/zinc/99/52/04/358995204.db2.gz	JIADFQUHADNHEB-UHFFFAOYSA-N	-1	0	257.249	1.356	40	0		CDABRM
C[C@H](Nc1ncc(C(=O)[O-])c(=O)[nH]1)c1ccccc1	ZINC000217674697	359019311	/nfs/dbraw/zinc/01/93/11/359019311.db2.gz	JNYJGUZIPLKXST-QMMMGPOBSA-N	-1	0	259.265	1.641	40	0		CDABRM
CCOc1ccc(/C=C/C(=O)N[C@H](C)C(=O)[O-])cc1OC	ZINC000033443940	359333710	/nfs/dbraw/zinc/33/37/10/359333710.db2.gz	MEDIINVMMHZZMQ-QEHWCHDUSA-N	-1	0	293.319	1.696	40	0		CDABRM
Cc1cccc(C)c1CS(=O)(=O)N1CC[C@H]1C(=O)[O-]	ZINC000296899905	200029107	/nfs/dbraw/zinc/02/91/07/200029107.db2.gz	JCSMVXHKSSNSCL-LBPRGKRZSA-N	-1	0	283.349	1.292	40	0		CDABRM
CC(C)(O)[C@]1(O)[C@@H](O)C[C@@]2(C)CC=C(C(=O)[O-])CC[C@@H]21	ZINC000514288144	360123798	/nfs/dbraw/zinc/12/37/98/360123798.db2.gz	QUIVGWOGXNIYFU-UOVKNHIHSA-N	-1	0	284.352	1.070	40	0	biogenic,in-vitro	CDABRM
O=C([O-])C1CCN(C(=O)NC2CCCCC2)CC1	ZINC000000412817	361715729	/nfs/dbraw/zinc/71/57/29/361715729.db2.gz	SSKQZRIWUQIBKW-UHFFFAOYSA-N	-1	0	254.330	1.825	40	0		CDABRM
Cc1cccc(C(=O)NCC2(C(=O)[O-])CCOCC2)n1	ZINC000165933291	364334582	/nfs/dbraw/zinc/33/45/82/364334582.db2.gz	YJVXHDZAUQRZBJ-UHFFFAOYSA-N	-1	0	278.308	1.001	40	0		CDABRM
CC(C)C[C@@H]([NH2+]Cc1ccccc1C(=O)[O-])C(=O)[O-]	ZINC000062718092	364839157	/nfs/dbraw/zinc/83/91/57/364839157.db2.gz	BEWDDYASMNPTPU-GFCCVEGCSA-N	-1	0	265.309	1.974	40	0		CDABRM
CO[C@H](C)C[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F	ZINC000287328795	369165279	/nfs/dbraw/zinc/16/52/79/369165279.db2.gz	KSUNZWLAWASIKI-ZCFIWIBFSA-N	-1	0	299.726	1.931	40	0		CDABRM
Cc1ccc(CC(=O)NCCc2ccc(C(=O)[O-])cc2)cn1	ZINC000225450696	374204216	/nfs/dbraw/zinc/20/42/16/374204216.db2.gz	PZOBVKTVWSAKKX-UHFFFAOYSA-N	-1	0	298.342	1.990	40	0		CDABRM
COc1cc(C)cc2c(=O)ccn([C@@H](C)C(=O)[O-])c12	ZINC000064874703	374240390	/nfs/dbraw/zinc/24/03/90/374240390.db2.gz	INXIVTGYLUQMFW-VIFPVBQESA-N	-1	0	261.277	1.964	40	0		CDABRM
Cc1ccc(C)c(CS(=O)(=O)[N-]C(=O)[C@H]2C[C@@H]2C)c1	ZINC000225412861	374326002	/nfs/dbraw/zinc/32/60/02/374326002.db2.gz	SHYQMOLRMJKPRW-AAEUAGOBSA-N	-1	0	281.377	1.905	40	0		CDABRM
O=C([O-])CNC(=O)c1cc(Br)c(Cl)o1	ZINC000095094148	374869308	/nfs/dbraw/zinc/86/93/08/374869308.db2.gz	SLCBOINCMYBYET-UHFFFAOYSA-N	-1	0	282.477	1.510	40	0		CDABRM
CSc1cccc(N2C(=O)N[C@@H](CCC(=O)[O-])C2=O)c1	ZINC000218712248	375783129	/nfs/dbraw/zinc/78/31/29/375783129.db2.gz	ZUIMZGJANXLPNY-JTQLQIEISA-N	-1	0	294.332	1.698	40	0		CDABRM
O=C([O-])c1cc(NC(=O)[C@H]2CC23CCOCC3)ccc1O	ZINC000633138233	378145238	/nfs/dbraw/zinc/14/52/38/378145238.db2.gz	GNRMNVMAPQYOJM-LLVKDONJSA-N	-1	0	291.303	1.846	40	0		CDABRM
O=C([O-])c1cnc(C2(c3ccccc3)CC2)[nH]c1=O	ZINC000062782074	304276781	/nfs/dbraw/zinc/27/67/81/304276781.db2.gz	CMKKPKYKTYMVEE-UHFFFAOYSA-N	-1	0	256.261	1.548	40	0		CDABRM
CCOC(=O)[C@]1(Br)[C@@H](C(=O)[O-])[C@H]2C=C[C@@H]1C2	ZINC000005460453	390162791	/nfs/dbraw/zinc/16/27/91/390162791.db2.gz	XABGVKLVLNKKAU-PRKAOEEVSA-N	-1	0	289.125	1.590	40	0		CDABRM
Cc1c([O-])[nH]c(=S)n(-c2ccc(F)cc2)c1=O	ZINC000100306999	390448503	/nfs/dbraw/zinc/44/85/03/390448503.db2.gz	RBKMRNSBGIVWAL-UHFFFAOYSA-N	-1	0	252.270	1.674	40	0		CDABRM
O=C([O-])c1nnn(Cc2cccc(F)c2)c1Cl	ZINC000072220892	390622181	/nfs/dbraw/zinc/62/21/81/390622181.db2.gz	XEBSJIRXORGFHR-UHFFFAOYSA-N	-1	0	255.636	1.817	40	0		CDABRM
O=C([O-])[C@@H]1CCCN1C(=O)Cc1c[nH]c2ccccc12	ZINC000011890783	390915893	/nfs/dbraw/zinc/91/58/93/390915893.db2.gz	STGVBTJKCSSKNP-ZDUSSCGKSA-N	-1	0	272.304	1.786	40	0	in-vitro	CDABRM
O=C([O-])c1ccc(C(=O)N2CC[C@H]3CCC[C@H]32)nc1	ZINC000378757140	393305373	/nfs/dbraw/zinc/30/53/73/393305373.db2.gz	YQCRULMDDDSEHG-BXKDBHETSA-N	-1	0	260.293	1.794	40	0		CDABRM
O=C([O-])CSc1cc(N2CCCCC2)ncn1	ZINC000073667985	134444278	/nfs/dbraw/zinc/44/42/78/134444278.db2.gz	JVEBHAXWKMLUSA-UHFFFAOYSA-N	-1	0	253.327	1.644	40	0		CDABRM
CCC(=O)Nc1ccc(NC(=O)[C@H](C)C(=O)[O-])cc1	ZINC000229348650	140200834	/nfs/dbraw/zinc/20/08/34/140200834.db2.gz	JTPNNVBNSIJBST-QMMMGPOBSA-N	-1	0	264.281	1.694	40	0		CDABRM
CC[C@](C)(NC(=O)c1cccc(C[S@](C)=O)c1)C(=O)[O-]	ZINC000262076392	149011250	/nfs/dbraw/zinc/01/12/50/149011250.db2.gz	DOXRRLJFIDNKRK-XOBRGWDASA-N	-1	0	297.376	1.548	40	0		CDABRM
CCc1ccc(S(=O)(=O)N[C@@H](C)C(=O)[O-])cc1	ZINC000005471413	170102338	/nfs/dbraw/zinc/10/23/38/170102338.db2.gz	NBFSHENYNSDBPC-QMMMGPOBSA-N	-1	0	257.311	1.000	40	0		CDABRM
COc1cc2cccnc2c([N-]S(C)(=O)=O)c1	ZINC000008778891	170355744	/nfs/dbraw/zinc/35/57/44/170355744.db2.gz	OUPXOFRFEUUSDR-UHFFFAOYSA-N	-1	0	252.295	1.615	40	0		CDABRM
COc1cccc(-c2nc(C)c(CC(=O)[O-])c(=O)[nH]2)c1	ZINC000022124160	171354003	/nfs/dbraw/zinc/35/40/03/171354003.db2.gz	ANGIPWQMCDQJAV-UHFFFAOYSA-N	-1	0	274.276	1.381	40	0		CDABRM
Cc1noc(C[N-]S(=O)(=O)c2ccc(Cl)s2)n1	ZINC000044455365	175176655	/nfs/dbraw/zinc/17/66/55/175176655.db2.gz	KGCQPQNEGWIWPH-UHFFFAOYSA-N	-1	0	293.757	1.571	40	0		CDABRM
COc1ccc([C@H]2CC(=O)NC(C)=C2C(=O)[O-])cc1	ZINC000044563706	175207474	/nfs/dbraw/zinc/20/74/74/175207474.db2.gz	WFQNCIMKHZOHGA-LLVKDONJSA-N	-1	0	261.277	1.657	40	0		CDABRM
CC(=O)N[C@H](Cc1ccc(OC(C)(C)C)cc1)C(=O)[O-]	ZINC000071630263	176236262	/nfs/dbraw/zinc/23/62/62/176236262.db2.gz	JLNUTWJSFBIAAS-CYBMUJFWSA-N	-1	0	279.336	1.996	40	0		CDABRM
CCn1cc(-c2ccnc3c2c(C(=O)[O-])nn3C)c(C)n1	ZINC000072339608	176371399	/nfs/dbraw/zinc/37/13/99/176371399.db2.gz	CQFFDSKVWNWSLR-UHFFFAOYSA-N	-1	0	285.307	1.858	40	0		CDABRM
COc1cc(I)cc(C(=O)[O-])c1O	ZINC000044199178	294992736	/nfs/dbraw/zinc/99/27/36/294992736.db2.gz	CVPJHTGFRWRYOM-UHFFFAOYSA-N	-1	0	294.044	1.704	40	0		CDABRM
Cc1noc(-c2ccnc(-n3ncc(C(=O)[O-])c3C)c2)n1	ZINC000072221295	302834332	/nfs/dbraw/zinc/83/43/32/302834332.db2.gz	XOKGNEQQEMIFGO-UHFFFAOYSA-N	-1	0	285.263	1.632	40	0		CDABRM
O=C([O-])CCN1C(=O)S/C(=C\c2ccco2)C1=O	ZINC000033558956	534492408	/nfs/dbraw/zinc/49/24/08/534492408.db2.gz	QUJTTWVBEHBTJF-VURMDHGXSA-N	-1	0	267.262	1.791	40	0		CDABRM
Cc1cccc(C[C@H]2SC[C@@H](C(=O)[O-])NC2=O)c1	ZINC000062712067	524470294	/nfs/dbraw/zinc/47/02/94/524470294.db2.gz	XXXXFLVQVMJCGD-WDEREUQCSA-N	-1	0	265.334	1.222	40	0		CDABRM
Cc1ccc(C[C@@H]2SC[C@H](C(=O)[O-])NC2=O)cc1	ZINC000062712053	524667485	/nfs/dbraw/zinc/66/74/85/524667485.db2.gz	NKEIPURKFXEWBL-MNOVXSKESA-N	-1	0	265.334	1.222	40	0		CDABRM
Cc1cc(C(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)[nH]n1	ZINC000262490381	600265795	/nfs/dbraw/zinc/26/57/95/600265795.db2.gz	WKAGLDKCHIWOFD-VIFPVBQESA-N	-1	0	263.297	1.045	40	0		CDABRM
O=c1[nH]c(=S)[n-]c2c(Br)cccc12	ZINC000166586815	1181111283	/nfs/dbraw/zinc/11/12/83/1181111283.db2.gz	VLJDHVXBKWJTRP-UHFFFAOYSA-N	-1	0	257.112	1.974	40	0		CDABRM
CCOC(=O)c1nnc(COc2cccc(F)c2)[n-]1	ZINC000085385942	179046209	/nfs/dbraw/zinc/04/62/09/179046209.db2.gz	YPTNVKOOWNVBJG-UHFFFAOYSA-N	-1	0	265.244	1.700	40	0		CDABRM
CNS(=O)(=O)c1cc(C(=O)[O-])ccc1NC(C)(C)C	ZINC000217405777	290788300	/nfs/dbraw/zinc/78/83/00/290788300.db2.gz	OYTRTPQINHJYOF-UHFFFAOYSA-N	-1	0	286.353	1.503	40	0		CDABRM
O=S(=O)([N-]c1ncc(Cl)cn1)c1ccccc1	ZINC000001592000	355941214	/nfs/dbraw/zinc/94/12/14/355941214.db2.gz	FNOACBIVJAPUHB-UHFFFAOYSA-N	-1	0	269.713	1.931	40	0		CDABRM
CCC[C@@](C)(NS(=O)(=O)c1ccccc1)C(=O)[O-]	ZINC000002048389	355959514	/nfs/dbraw/zinc/95/95/14/355959514.db2.gz	LGFHTCKAFBNCNV-GFCCVEGCSA-N	-1	0	271.338	1.608	40	0		CDABRM
COc1cc(/C=C2\NC(=O)[N-]C2=O)ccc1OC(C)C	ZINC000015012693	356404004	/nfs/dbraw/zinc/40/40/04/356404004.db2.gz	DJVQMSTYOOFMAY-POHAHGRESA-N	-1	0	276.292	1.663	40	0		CDABRM
CCn1cc(C2=Nc3ccccc3S(=O)(=O)[N-]2)cn1	ZINC000019524887	356489822	/nfs/dbraw/zinc/48/98/22/356489822.db2.gz	XFOHBFXJQGRDRD-UHFFFAOYSA-N	-1	0	276.321	1.273	40	0		CDABRM
O=C1[N-]C(=O)/C(=C/c2ccc(Br)o2)N1	ZINC000032109636	356774245	/nfs/dbraw/zinc/77/42/45/356774245.db2.gz	VIBHKRDRSODZGZ-HYXAFXHYSA-N	-1	0	257.043	1.222	40	0		CDABRM
NS(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)[O-])c1	ZINC000037309283	356905468	/nfs/dbraw/zinc/90/54/68/356905468.db2.gz	JBCZTTYROHVFMJ-UHFFFAOYSA-N	-1	0	284.337	1.023	40	0		CDABRM
COc1ccc(-c2nc(N)cc(SCC(=O)[O-])n2)cc1	ZINC000049470049	357216893	/nfs/dbraw/zinc/21/68/93/357216893.db2.gz	SFRRXVLCBCGXGJ-UHFFFAOYSA-N	-1	0	291.332	1.911	40	0		CDABRM
O=C([O-])C1CCN(c2nccn3nc(C4CC4)cc23)CC1	ZINC000096516385	357522103	/nfs/dbraw/zinc/52/21/03/357522103.db2.gz	AYVHBHOKNCYSOV-UHFFFAOYSA-N	-1	0	286.335	1.908	40	0		CDABRM
CCCCc1ccc(-n2c(=O)cc(C(=O)[O-])[nH]c2=O)cc1	ZINC000222651089	359362765	/nfs/dbraw/zinc/36/27/65/359362765.db2.gz	TWSHJGPZBJCBQI-UHFFFAOYSA-N	-1	0	288.303	1.567	40	0		CDABRM
O=C([O-])CCc1cnc(COc2ccc(F)cc2)[nH]c1=O	ZINC000223443095	359426551	/nfs/dbraw/zinc/42/65/51/359426551.db2.gz	WWDIZLWYHMCATC-UHFFFAOYSA-N	-1	0	292.266	1.505	40	0		CDABRM
O=C([O-])[C@@H]1CCCN(C(=O)C(F)(F)Br)C1	ZINC000085397103	304108077	/nfs/dbraw/zinc/10/80/77/304108077.db2.gz	SZZYFNQNRCQFLP-RXMQYKEDSA-N	-1	0	286.072	1.297	40	0		CDABRM
Cc1nc(CC(=O)Nc2ccccc2)ncc1C(=O)[O-]	ZINC000217354362	189708880	/nfs/dbraw/zinc/70/88/80/189708880.db2.gz	BRMWXRNAYKLPII-UHFFFAOYSA-N	-1	0	271.276	1.664	40	0		CDABRM
COc1ccc(-c2nnc(SC)[n-]c2=O)cc1OC	ZINC000016777503	366915501	/nfs/dbraw/zinc/91/55/01/366915501.db2.gz	OLPIQPVGQAWSSH-UHFFFAOYSA-N	-1	0	279.321	1.983	40	0		CDABRM
Cn1c(SCC(=O)[O-])nnc1-c1cccnc1	ZINC000004294287	367326736	/nfs/dbraw/zinc/32/67/36/367326736.db2.gz	RGXPXKGFVWWNQN-UHFFFAOYSA-N	-1	0	250.283	1.054	40	0		CDABRM
Cn1c2ccc(Cl)cc2nc1[C@@H](O)CC(=O)[O-]	ZINC000064874424	374240227	/nfs/dbraw/zinc/24/02/27/374240227.db2.gz	HMQRYFLHIXKSTI-VIFPVBQESA-N	-1	0	254.673	1.735	40	0		CDABRM
O=C([O-])Cn1cc(NCc2ccc(F)s2)cn1	ZINC000256052644	190004624	/nfs/dbraw/zinc/00/46/24/190004624.db2.gz	ODHXUSRMKYQGMX-UHFFFAOYSA-N	-1	0	255.274	1.780	40	0		CDABRM
O=C([O-])c1ccc(Cl)c(N2C(=O)CCC2=O)c1	ZINC000005567741	304244622	/nfs/dbraw/zinc/24/46/22/304244622.db2.gz	ANJSUNXKVYEWLH-UHFFFAOYSA-N	-1	0	253.641	1.692	40	0		CDABRM
O=C1[N-]C(=O)/C(=C\c2cc3c(cc2Cl)OCO3)N1	ZINC000059224515	296356602	/nfs/dbraw/zinc/35/66/02/296356602.db2.gz	HNDLQUAWRBWDAO-LREOWRDNSA-N	-1	0	266.640	1.249	40	0		CDABRM
O=C(NCCn1cccc1)c1c([O-])cc(F)cc1F	ZINC000081784024	177859337	/nfs/dbraw/zinc/85/93/37/177859337.db2.gz	UORQHRKTPJEFBJ-UHFFFAOYSA-N	-1	0	266.247	1.902	40	0		CDABRM
CC(C)COc1[nH]nc(C(=O)[O-])c1Br	ZINC000096509300	390529397	/nfs/dbraw/zinc/52/93/97/390529397.db2.gz	GJFVSSOWTZSFEG-UHFFFAOYSA-N	-1	0	263.091	1.905	40	0		CDABRM
C[C@H]1CCc2nnc(N3CC[C@H](C(=O)[O-])C3)cc2C1	ZINC000096530193	390541932	/nfs/dbraw/zinc/54/19/32/390541932.db2.gz	GLVGYDKGLBRXHY-UWVGGRQHSA-N	-1	0	261.325	1.512	40	0		CDABRM
O=C([O-])c1cc(C2CC2)nc(N2CCC(O)CC2)n1	ZINC000072220971	390622324	/nfs/dbraw/zinc/62/23/24/390622324.db2.gz	DXKXHVLLEHTBGL-UHFFFAOYSA-N	-1	0	263.297	1.013	40	0		CDABRM
O=C([O-])CCC[NH2+]Cc1ccccc1OCC(=O)[O-]	ZINC000062716867	391565069	/nfs/dbraw/zinc/56/50/69/391565069.db2.gz	SZKQQKWSPLURMT-UHFFFAOYSA-N	-1	0	267.281	1.104	40	0		CDABRM
Cc1ccc(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])c(F)c1	ZINC000261677949	131161455	/nfs/dbraw/zinc/16/14/55/131161455.db2.gz	LJZCFBNARHATNF-QMMMGPOBSA-N	-1	0	275.301	1.228	40	0		CDABRM
Cc1cnc([C@H](NC(=O)c2ccccc2)C(=O)[O-])c(C)n1	ZINC000096508950	393188511	/nfs/dbraw/zinc/18/85/11/393188511.db2.gz	UPPCDPIZPJWWSR-ZDUSSCGKSA-N	-1	0	285.303	1.649	40	0		CDABRM
C[C@H]1CCCN(C(=O)Cc2ccc(O)cc2)[C@H]1C(=O)[O-]	ZINC000235635390	140236972	/nfs/dbraw/zinc/23/69/72/140236972.db2.gz	RRONQWLTAOVUJS-IINYFYTJSA-N	-1	0	277.320	1.646	40	0		CDABRM
CCO[C@@H]1COCC[C@@H]1Nc1cccc(C(=O)[O-])n1	ZINC000263387187	286226653	/nfs/dbraw/zinc/22/66/53/286226653.db2.gz	FEVRITMPTSCOHW-GXSJLCMTSA-N	-1	0	266.297	1.386	40	0		CDABRM
O=C([O-])[C@@H]1[C@@H](C(=O)Nc2ccc(F)cc2)[C@H]2C=C[C@@H]1O2	ZINC000005042619	170059682	/nfs/dbraw/zinc/05/96/82/170059682.db2.gz	HFFOVZSEJHRHBK-RHYQMDGZSA-N	-1	0	277.251	1.418	40	0		CDABRM
COCC(=O)Nc1ccccc1S[C@H](C)C(=O)[O-]	ZINC000008732943	170351746	/nfs/dbraw/zinc/35/17/46/170351746.db2.gz	AEASJJPAKHBMQW-MRVPVSSYSA-N	-1	0	269.322	1.837	40	0		CDABRM
Cn1cc(C(=O)NC2CCCCC2)c(C(=O)[O-])n1	ZINC000020319484	171148432	/nfs/dbraw/zinc/14/84/32/171148432.db2.gz	ALZCLWDEOGBGOE-UHFFFAOYSA-N	-1	0	251.286	1.181	40	0		CDABRM
CCCCNS(=O)(=O)c1cc(C(=O)[O-])ccc1C	ZINC000020547885	171245585	/nfs/dbraw/zinc/24/55/85/171245585.db2.gz	BEOYGQSTOBTDEO-UHFFFAOYSA-N	-1	0	271.338	1.772	40	0		CDABRM
O=C([O-])[C@@H]1CCn2c(C(=O)c3ccc(O)cc3)ccc21	ZINC000021981231	171344317	/nfs/dbraw/zinc/34/43/17/171344317.db2.gz	PIQMOWBWPFGZMW-LLVKDONJSA-N	-1	0	271.272	1.997	40	0	world	CDABRM
C[C@@H]1CN(C(=O)N[C@@H](C(=O)[O-])c2ccccc2)C[C@H](C)O1	ZINC000040530877	174317088	/nfs/dbraw/zinc/31/70/88/174317088.db2.gz	RNILUWUPUFKNBN-NTZNESFSSA-N	-1	0	292.335	1.631	40	0		CDABRM
CC(=O)N1CCC(c2cccc(CCC(=O)[O-])n2)CC1	ZINC000072344307	176373142	/nfs/dbraw/zinc/37/31/42/176373142.db2.gz	LURKHJGIFXZLKK-UHFFFAOYSA-N	-1	0	276.336	1.825	40	0		CDABRM
CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)CC(=O)[O-]	ZINC000095951390	278386232	/nfs/dbraw/zinc/38/62/32/278386232.db2.gz	QYLQYMUSHYOMKP-SECBINFHSA-N	-1	0	271.313	1.820	40	0		CDABRM
CC(C)(C)OC(=O)N[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)[O-]	ZINC000032098931	278441134	/nfs/dbraw/zinc/44/11/34/278441134.db2.gz	ZPMJBHUNSHDFPT-QCLAVDOMSA-N	-1	0	253.298	1.786	40	0		CDABRM
C[C@H]1CN(C(=O)c2n[nH]c(=O)[n-]2)CC[C@H]1c1ccccc1	ZINC000076472116	300208349	/nfs/dbraw/zinc/20/83/49/300208349.db2.gz	RFZBITUGGHESPU-CMPLNLGQSA-N	-1	0	286.335	1.776	40	0		CDABRM
O=C([O-])C[C@H]1CCCCN1C(=O)Cc1cscn1	ZINC000257737022	482750299	/nfs/dbraw/zinc/75/02/99/482750299.db2.gz	XHTDJMNXYGJENX-SNVBAGLBSA-N	-1	0	268.338	1.541	40	0		CDABRM
COc1ccc2c(c1OC)C(=O)O[C@@H]2SCC(=O)[O-]	ZINC000218710269	537023680	/nfs/dbraw/zinc/02/36/80/537023680.db2.gz	UEDBBHPVRFGUJG-GFCCVEGCSA-N	-1	0	284.289	1.691	40	0		CDABRM
NS(=O)(=O)c1cc(C(=O)[O-])cc(C(F)(F)F)c1	ZINC000146141934	617371850	/nfs/dbraw/zinc/37/18/50/617371850.db2.gz	RAEAVXRWTCNJOT-UHFFFAOYSA-N	-1	0	269.200	1.051	40	0		CDABRM
Cn1ccc(C(=O)[N-]S(=O)(=O)c2ccccc2Cl)c1	ZINC000004179509	741846058	/nfs/dbraw/zinc/84/60/58/741846058.db2.gz	FDRRNSWHRILVOS-UHFFFAOYSA-N	-1	0	298.751	1.797	40	0		CDABRM
O=C([O-])[C@H](Cc1ccccc1)NC(=O)CCCCCO	ZINC000247380416	362107886	/nfs/dbraw/zinc/10/78/86/362107886.db2.gz	JCDXWOVJOYGIHS-ZDUSSCGKSA-N	-1	0	279.336	1.351	40	0		CDABRM
CCOC(=O)c1c(SCC)[n-]n2c1nc(C)cc2=O	ZINC000103584506	346367968	/nfs/dbraw/zinc/36/79/68/346367968.db2.gz	ZGDLURDOEPUKPD-UHFFFAOYSA-N	-1	0	281.337	1.620	40	0		CDABRM
O=C([O-])COCCNC(=O)OCc1ccccc1	ZINC000086433551	179293151	/nfs/dbraw/zinc/29/31/51/179293151.db2.gz	MBFFUILDSABICM-UHFFFAOYSA-N	-1	0	253.254	1.014	40	0		CDABRM
Cn1cnc2c1[C@H](C(=O)[O-])N(C(=O)c1ccccc1)CC2	ZINC000106793472	186136318	/nfs/dbraw/zinc/13/63/18/186136318.db2.gz	MCVWSQNEEJFVKE-CYBMUJFWSA-N	-1	0	285.303	1.244	40	0		CDABRM
O=C([O-])[C@H](c1ccccc1)[C@H](O)[C@@]1(O)CC=CCC1	ZINC000001593093	355940879	/nfs/dbraw/zinc/94/08/79/355940879.db2.gz	UOBIHZJUWDKZDT-VNHYZAJKSA-N	-1	0	262.305	1.687	40	0		CDABRM
COc1ccc(NC(=O)CSCCC(=O)[O-])cc1	ZINC000016740005	356446404	/nfs/dbraw/zinc/44/64/04/356446404.db2.gz	HVGDWLLFDXYDBA-UHFFFAOYSA-N	-1	0	269.322	1.842	40	0		CDABRM
CCC[C@H](NS(=O)(=O)c1ccc(CC)s1)C(=O)[O-]	ZINC000042520850	357071395	/nfs/dbraw/zinc/07/13/95/357071395.db2.gz	WVQUFXIXHQMQOK-VIFPVBQESA-N	-1	0	291.394	1.842	40	0		CDABRM
Cc1cccc(C[C@@H](C(=O)[O-])N2CCOCC2)c1C	ZINC000057550758	357360293	/nfs/dbraw/zinc/36/02/93/357360293.db2.gz	LNXNPKSKOCLKLB-AWEZNQCLSA-N	-1	0	263.337	1.631	40	0		CDABRM
COc1ccc(CNC(=O)N(C)C)cc1C(=O)[O-]	ZINC000098174993	358815806	/nfs/dbraw/zinc/81/58/06/358815806.db2.gz	UXMUSZYBMJQMRN-UHFFFAOYSA-N	-1	0	252.270	1.165	40	0		CDABRM
Cc1cc([O-])n(Cc2ccccc2)c(=O)c1C(N)=O	ZINC000100927514	358838028	/nfs/dbraw/zinc/83/80/28/358838028.db2.gz	HVLHKQSHWCCHNT-UHFFFAOYSA-N	-1	0	258.277	1.010	40	0		CDABRM
CCOc1ccc(/C=C/C(=O)N[C@H](C)C(=O)[O-])cc1	ZINC000033439567	359333012	/nfs/dbraw/zinc/33/30/12/359333012.db2.gz	CXNYFMFPWKSBEF-OLKPEBQYSA-N	-1	0	263.293	1.688	40	0		CDABRM
Nc1ccc(N2CCN(c3ccccn3)CC2)c(C(=O)[O-])c1	ZINC000315111723	360446202	/nfs/dbraw/zinc/44/62/02/360446202.db2.gz	QIUHYWVPGODXEW-UHFFFAOYSA-N	-1	0	298.346	1.689	40	0		CDABRM
Cn1ccc(S(=O)(=O)[N-][C@@](C)(C2CC2)C(F)(F)F)n1	ZINC000330013577	202581439	/nfs/dbraw/zinc/58/14/39/202581439.db2.gz	ADHWVEGSMZMWLS-VIFPVBQESA-N	-1	0	297.302	1.429	40	0		CDABRM
COc1cc(Cl)c(/C=C2/NC(=O)[N-]C2=O)cc1OC	ZINC000000033925	364100655	/nfs/dbraw/zinc/10/06/55/364100655.db2.gz	LGUINOKTQAPBQI-FPYGCLRLSA-N	-1	0	282.683	1.538	40	0		CDABRM
Cn1ccc([C@@H]2N[C@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)n1	ZINC000575410801	364762443	/nfs/dbraw/zinc/76/24/43/364762443.db2.gz	JGHGRTVWLWATPQ-ZFWWWQNUSA-N	-1	0	296.330	1.590	40	0		CDABRM
CC(C)CNc1ccc(C(=O)[O-])cc1S(N)(=O)=O	ZINC000217402567	189709681	/nfs/dbraw/zinc/70/96/81/189709681.db2.gz	OOCNWJMHYLGNRO-UHFFFAOYSA-N	-1	0	272.326	1.100	40	0		CDABRM
O=C([O-])COC[C@H]1CCN(C(=O)OCc2ccccc2)C1	ZINC000002577459	367127166	/nfs/dbraw/zinc/12/71/66/367127166.db2.gz	VTEBJTVNWAXFDQ-ZDUSSCGKSA-N	-1	0	293.319	1.746	40	0		CDABRM
O=C([O-])CSc1nnc(-c2ccccc2O)o1	ZINC000004130302	367170489	/nfs/dbraw/zinc/17/04/89/367170489.db2.gz	FMPDOXPGYJCROP-UHFFFAOYSA-N	-1	0	252.251	1.619	40	0		CDABRM
O=C([O-])[C@H]1CC[C@H](c2nc3cnccc3c(=O)[nH]2)S1	ZINC000256053016	374397840	/nfs/dbraw/zinc/39/78/40/374397840.db2.gz	PQXQDAKKDYHYJN-RKDXNWHRSA-N	-1	0	277.305	1.752	40	0		CDABRM
COC(=O)c1cc(C(=O)[O-])nn1CCC(F)(F)F	ZINC000408717846	541964694	/nfs/dbraw/zinc/96/46/94/541964694.db2.gz	XQDLIARZXIFKFA-UHFFFAOYSA-N	-1	0	266.175	1.320	40	0		CDABRM
CN(CCn1cccc(C(=O)[O-])c1=O)c1ccccc1	ZINC000257221380	190014614	/nfs/dbraw/zinc/01/46/14/190014614.db2.gz	DOUJOFTWGXKFHJ-UHFFFAOYSA-N	-1	0	272.304	1.683	40	0		CDABRM
Cc1cc(-n2cc(C(=O)[O-])nn2)c2ccccc2n1	ZINC000218790156	375896574	/nfs/dbraw/zinc/89/65/74/375896574.db2.gz	WNTFZHIIHRJKFQ-UHFFFAOYSA-N	-1	0	254.249	1.822	40	0		CDABRM
O=C([O-])[C@H]1Cc2[nH]cnc2[C@@H](c2ccccc2F)N1	ZINC000005819127	304205761	/nfs/dbraw/zinc/20/57/61/304205761.db2.gz	KAYJYJAACIEUHJ-GHMZBOCLSA-N	-1	0	261.256	1.237	40	0		CDABRM
O=C([O-])c1cn(-c2cc3c(nn2)CCCCC3)cn1	ZINC000096517343	390533325	/nfs/dbraw/zinc/53/33/25/390533325.db2.gz	IWESUVDMSNICSJ-UHFFFAOYSA-N	-1	0	258.281	1.629	40	0		CDABRM
Cc1cccc(-c2cc(=O)n(CC(=O)[O-])c(C)n2)c1	ZINC000096531040	390540530	/nfs/dbraw/zinc/54/05/30/390540530.db2.gz	MPMFLWBYKDRWBD-UHFFFAOYSA-N	-1	0	258.277	1.612	40	0		CDABRM
COC[C@H](C)C(=O)Nc1ccc(C)c(C(=O)[O-])c1	ZINC000237234555	131016659	/nfs/dbraw/zinc/01/66/59/131016659.db2.gz	BRVVDMMYRGMAPN-VIFPVBQESA-N	-1	0	251.282	1.914	40	0		CDABRM
O=C([O-])c1ccc(S(=O)(=O)C(F)(F)F)c(Cl)n1	ZINC000242495799	393183687	/nfs/dbraw/zinc/18/36/87/393183687.db2.gz	GQOHAMJIPDLGBC-UHFFFAOYSA-N	-1	0	289.618	1.727	40	0		CDABRM
CCOc1cc(N2CCC[C@H](C(=O)[O-])C2)nc(SC)n1	ZINC000083321076	135016958	/nfs/dbraw/zinc/01/69/58/135016958.db2.gz	QKLPQRUHHSVEHA-VIFPVBQESA-N	-1	0	297.380	1.898	40	0		CDABRM
CCOc1cccc(-c2nnc(SCC(=O)[O-])n2N)c1	ZINC000016755967	170711506	/nfs/dbraw/zinc/71/15/06/170711506.db2.gz	ZXVJSDUJQTYOPY-UHFFFAOYSA-N	-1	0	294.336	1.234	40	0		CDABRM
C[C@@H]1CCC[C@H](C)N1C(=O)[C@H]1[C@@H](C(=O)[O-])[C@H]2CC[C@@H]1O2	ZINC000017008580	170720523	/nfs/dbraw/zinc/72/05/23/170720523.db2.gz	CDRATGVLFXMROI-QYKGAGETSA-N	-1	0	281.352	1.654	40	0		CDABRM
CCn1c(C)ccc(-c2noc(CCC(=O)[O-])n2)c1=O	ZINC000022121578	171353938	/nfs/dbraw/zinc/35/39/38/171353938.db2.gz	URDXOBZDYJCULM-UHFFFAOYSA-N	-1	0	277.280	1.244	40	0		CDABRM
C[C@H](O)/C=C/[C@H]1OC(=O)C[C@@H]1Nc1ccc(C(=O)[O-])cc1	ZINC000031158873	171632571	/nfs/dbraw/zinc/63/25/71/171632571.db2.gz	IZSWILLJDXDGDJ-UCFOWRPCSA-N	-1	0	291.303	1.418	40	0	biogenic,in-vitro	CDABRM
C[C@H](NC(=O)/C=C\c1ccc(Cl)cc1)C(=O)[O-]	ZINC000033435457	171796870	/nfs/dbraw/zinc/79/68/70/171796870.db2.gz	AXXDRUBCKJYEBA-NZGHECTNSA-N	-1	0	253.685	1.943	40	0		CDABRM
COc1ccccc1Cn1cccc(C(=O)[O-])c1=O	ZINC000038540226	174146147	/nfs/dbraw/zinc/14/61/47/174146147.db2.gz	IAAZIARBDNDIMG-UHFFFAOYSA-N	-1	0	259.261	1.603	40	0		CDABRM
CS(=O)(=O)N1CCC(C(=O)[O-])(c2ccccc2)CC1	ZINC000041440803	174553392	/nfs/dbraw/zinc/55/33/92/174553392.db2.gz	FCJDIJQSFOHDSE-UHFFFAOYSA-N	-1	0	283.349	1.064	40	0		CDABRM
COc1ccc([C@H]2[C@@H](C(=O)[O-])CC(=O)N2C2CC2)cc1	ZINC000045922854	175386972	/nfs/dbraw/zinc/38/69/72/175386972.db2.gz	IKVZZFZSCXRLKT-JSGCOSHPSA-N	-1	0	275.304	1.832	40	0		CDABRM
O=C([O-])[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)Nc1nccs1	ZINC000071793221	176263873	/nfs/dbraw/zinc/26/38/73/176263873.db2.gz	SUGSIWBFIBIQDM-KZVJFYERSA-N	-1	0	264.306	1.605	40	0		CDABRM
Cc1nn(C)c2nc3ccccc3c(NCC(=O)[O-])c12	ZINC000005678716	302791063	/nfs/dbraw/zinc/79/10/63/302791063.db2.gz	YUVPJIFRQXENBA-UHFFFAOYSA-N	-1	0	270.292	1.926	40	0		CDABRM
O=C([O-])NC[C@@H](O)c1cccc(Br)c1	ZINC000521825114	333210690	/nfs/dbraw/zinc/21/06/90/333210690.db2.gz	ILZHKLZRVVIQEM-MRVPVSSYSA-N	-1	0	260.087	1.750	40	0		CDABRM
O=C([O-])[C@H]1CCN(C(=O)CCn2ccnc2)c2ccccc21	ZINC000388715320	482769151	/nfs/dbraw/zinc/76/91/51/482769151.db2.gz	YZYXOTGNLXGRTR-ZDUSSCGKSA-N	-1	0	299.330	1.878	40	0		CDABRM
O=C([O-])c1c(Br)cnn1CC(F)(F)F	ZINC000408715113	534541094	/nfs/dbraw/zinc/54/10/94/534541094.db2.gz	REEODLLOJVOOFZ-UHFFFAOYSA-N	-1	0	273.008	1.906	40	0		CDABRM
Cc1cc(Cl)cc(C(=O)NC[C@](C)(O)C(=O)[O-])c1	ZINC000157502630	524856968	/nfs/dbraw/zinc/85/69/68/524856968.db2.gz	YTKKFCOCMSHBEI-LBPRGKRZSA-N	-1	0	271.700	1.214	40	0		CDABRM
Cc1nn(C)c(C)c1CNC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-]	ZINC000032610724	631833707	/nfs/dbraw/zinc/83/37/07/631833707.db2.gz	ZGMPFRUTWZKQIV-NEPJUHHUSA-N	-1	0	293.367	1.544	40	0		CDABRM
C/C=C/[C@H](O)[C@@H]1OC(=O)C[C@H]1Nc1ccc(C(=O)[O-])cc1	ZINC000067910607	745587918	/nfs/dbraw/zinc/58/79/18/745587918.db2.gz	BYCOQXVBFQHWPL-LMOZYKKSSA-N	-1	0	291.303	1.418	40	0	biogenic,in-vitro	CDABRM
Cc1ccc(S(=O)(=O)NC2CC(C(=O)[O-])C2)c(F)c1	ZINC000693395811	976618954	/nfs/dbraw/zinc/61/89/54/976618954.db2.gz	VYAVRRYLWIBKNP-UHFFFAOYSA-N	-1	0	287.312	1.276	40	0		CDABRM
CN1C(=O)N[C@H]2C[C@]1(C)Oc1ccc(C(=O)[O-])cc12	ZINC000096530409	342166169	/nfs/dbraw/zinc/16/61/69/342166169.db2.gz	VLEQFASRERUBHE-ZANVPECISA-N	-1	0	262.265	1.580	40	0		CDABRM
COC[C@@]1(C(=O)[O-])CCCN1C(=O)[C@@H]1Cc2ccccc21	ZINC000643849110	361931251	/nfs/dbraw/zinc/93/12/51/361931251.db2.gz	SVLNAXSTZHRTHI-CZUORRHYSA-N	-1	0	289.331	1.419	40	0		CDABRM
COc1ccc([C@@H]2OC(=O)C[C@H]2C(=O)[O-])cc1OC	ZINC000085394799	179049029	/nfs/dbraw/zinc/04/90/29/179049029.db2.gz	AOQFQFPZJVXXBO-PELKAZGASA-N	-1	0	266.249	1.393	40	0		CDABRM
O=C(C=C1SC(=O)NC1=O)Nc1ccccc1[S-]	ZINC000002552144	355974413	/nfs/dbraw/zinc/97/44/13/355974413.db2.gz	MLXTUFAXCFNIDQ-YVMONPNESA-N	-1	0	280.330	1.781	40	0		CDABRM
O=C([O-])CN1C(=O)N/C(=C/c2c(F)cccc2Cl)C1=O	ZINC000408593057	356016278	/nfs/dbraw/zinc/01/62/78/356016278.db2.gz	OOTBIDIXIMERAX-RUDMXATFSA-N	-1	0	298.657	1.456	40	0		CDABRM
COc1cccc(-c2nnc(SCC(=O)[O-])n2C)c1	ZINC000004476127	356360409	/nfs/dbraw/zinc/36/04/09/356360409.db2.gz	UUUSRBICUYQLPK-UHFFFAOYSA-N	-1	0	279.321	1.667	40	0		CDABRM
C[C@@H]1CCCN(C(=O)CC[C@H]2CCCO2)[C@@H]1C(=O)[O-]	ZINC000235303600	140234227	/nfs/dbraw/zinc/23/42/27/140234227.db2.gz	DBSZVZHUMDMSIN-WZRBSPASSA-N	-1	0	269.341	1.657	40	0		CDABRM
CNc1ccc(C(=O)[O-])cc1S(=O)(=O)NC(C)C	ZINC000036720857	356878764	/nfs/dbraw/zinc/87/87/64/356878764.db2.gz	JPYHLQADCCHLMT-UHFFFAOYSA-N	-1	0	272.326	1.113	40	0		CDABRM
CCOc1ccc(C[C@H](C(=O)[O-])N2CCOCC2)cc1	ZINC000041433996	357036310	/nfs/dbraw/zinc/03/63/10/357036310.db2.gz	OFSWRDJWUOWUSM-CQSZACIVSA-N	-1	0	279.336	1.413	40	0		CDABRM
CCOc1cc(-c2ncc(C(=O)[O-])c(=O)[nH]2)ccc1OC	ZINC000058037975	357375081	/nfs/dbraw/zinc/37/50/81/357375081.db2.gz	AJYKDQNZZUTQAA-UHFFFAOYSA-N	-1	0	290.275	1.542	40	0		CDABRM
C[Si](C)(C)n1[nH][n-]c2c(=O)n(-c3ccccc3)c(=O)c1=2	ZINC000195770643	358325927	/nfs/dbraw/zinc/32/59/27/358325927.db2.gz	FAVFYPSADZQLKE-QWRGUYRKSA-N	-1	0	288.383	1.815	40	0		CDABRM
C[C@H](NS(=O)(=O)c1sccc1Cl)C(=O)[O-]	ZINC000263288144	359254174	/nfs/dbraw/zinc/25/41/74/359254174.db2.gz	ZROULSRNAUAAHR-BYPYZUCNSA-N	-1	0	269.731	1.153	40	0		CDABRM
CC(C)C(=O)NC(=S)Nc1ccc(OCC(=O)[O-])cc1	ZINC000226358540	360695754	/nfs/dbraw/zinc/69/57/54/360695754.db2.gz	VPDREVQAHXONDD-UHFFFAOYSA-N	-1	0	296.348	1.619	40	0		CDABRM
CCC1(S(=O)(=O)[N-]C(=O)[C@@H]2CCC[C@H](OC)C2)CC1	ZINC000408502070	361469097	/nfs/dbraw/zinc/46/90/97/361469097.db2.gz	YYJPCMCAWSYCCX-MNOVXSKESA-N	-1	0	289.397	1.580	40	0		CDABRM
O=C([O-])[C@@H]1CCCN(c2cc3c(nn2)CCCC3)C1	ZINC000096516121	304110515	/nfs/dbraw/zinc/11/05/15/304110515.db2.gz	RJQQGVVPOGIUFR-LLVKDONJSA-N	-1	0	261.325	1.656	40	0		CDABRM
CS(=O)(=O)[C@@H]1[C@@H](c2cccc(F)c2)[C@H]1C(=O)[O-]	ZINC000218398276	367196749	/nfs/dbraw/zinc/19/67/49/367196749.db2.gz	DVWHMBXHYSUMKD-IVZWLZJFSA-N	-1	0	258.270	1.037	40	0		CDABRM
O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCCCC2)N1C1CC1	ZINC000630676280	369681458	/nfs/dbraw/zinc/68/14/58/369681458.db2.gz	WBANOFBRHNQDRM-NEPJUHHUSA-N	-1	0	266.341	1.079	40	0		CDABRM
O=C([O-])[C@H](NC(=O)c1cncc(F)c1)c1ccccc1	ZINC000134076878	304173465	/nfs/dbraw/zinc/17/34/65/304173465.db2.gz	FQVKMYFIDGFWND-GFCCVEGCSA-N	-1	0	274.251	1.776	40	0		CDABRM
CC(C)CN(CC(=O)[O-])C(=O)Cc1ccc(F)cc1	ZINC000057555178	375529113	/nfs/dbraw/zinc/52/91/13/375529113.db2.gz	BPMXJAXTLWRNTP-UHFFFAOYSA-N	-1	0	267.300	1.937	40	0		CDABRM
CCOc1cc(CN2C(=O)CC[C@H]2C(=O)[O-])ccc1OC	ZINC000062709455	256724468	/nfs/dbraw/zinc/72/44/68/256724468.db2.gz	TVECKJMVXXQAEP-NSHDSACASA-N	-1	0	293.319	1.670	40	0		CDABRM
CC(C)(C)c1ccc(S(=O)(=O)CC(=O)[O-])cc1	ZINC000001712047	390140581	/nfs/dbraw/zinc/14/05/81/390140581.db2.gz	ACTDBYUMAHCONF-UHFFFAOYSA-N	-1	0	256.323	1.842	40	0		CDABRM
O=C([O-])[C@H]1CCN(c2ccc(=O)n(-c3ccccc3)n2)C1	ZINC000096517261	390531804	/nfs/dbraw/zinc/53/18/04/390531804.db2.gz	GMWCYACAHNJIMO-NSHDSACASA-N	-1	0	285.303	1.143	40	0		CDABRM
COc1ccc2c(c1)c(O[C@@H](C)C(=O)[O-])nn2C	ZINC000225774611	533305730	/nfs/dbraw/zinc/30/57/30/533305730.db2.gz	OEMGXLIPSRXGAG-ZETCQYMHSA-N	-1	0	250.254	1.434	40	0		CDABRM
CCN1c2cc(C(=O)[O-])ccc2CCS1(=O)=O	ZINC000096517036	285471741	/nfs/dbraw/zinc/47/17/41/285471741.db2.gz	KUDGCBRWEOETFS-UHFFFAOYSA-N	-1	0	255.295	1.097	40	0		CDABRM
O=C([O-])c1ccc(CC(=O)NC[C@H]2CCCC[C@H]2O)cc1	ZINC000263330557	131290244	/nfs/dbraw/zinc/29/02/44/131290244.db2.gz	LXOKTWMMOUIEGN-ZIAGYGMSSA-N	-1	0	291.347	1.595	40	0		CDABRM
Cc1ccc([C@@H]2[C@H](C(=O)[O-])[C@H]2S(C)(=O)=O)cc1	ZINC000252516424	392798236	/nfs/dbraw/zinc/79/82/36/392798236.db2.gz	SKRNMGRKTHUUCP-VWYCJHECSA-N	-1	0	254.307	1.206	40	0		CDABRM
Cc1c2c(nn1-c1ccc(Cl)cc1)c(=O)[n-][nH]c2=O	ZINC000096306043	393174822	/nfs/dbraw/zinc/17/48/22/393174822.db2.gz	KDXLCPWNVVMTGE-UHFFFAOYSA-N	-1	0	276.683	1.776	40	0		CDABRM
CCOC(=O)C[C@@]1(C)N[C@@H](C(=O)[O-])C(C)(C)S1	ZINC000001707336	285783502	/nfs/dbraw/zinc/78/35/02/285783502.db2.gz	MZUPUIOJKDNYMB-KWQFWETISA-N	-1	0	261.343	1.224	40	0		CDABRM
CCO[C@@H](C)C(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1	ZINC000262445206	286189380	/nfs/dbraw/zinc/18/93/80/286189380.db2.gz	ONZYXKKOJBUXDX-UWVGGRQHSA-N	-1	0	255.314	1.125	40	0		CDABRM
O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)NCc1ccccc1F	ZINC000006730492	170235146	/nfs/dbraw/zinc/23/51/46/170235146.db2.gz	ZCWNOFNGHFABLS-QOBDMFJFSA-N	-1	0	289.306	1.965	40	0		CDABRM
CCOc1ccc(CN2C[C@@H](C(=O)[O-])CC2=O)cc1	ZINC000008016548	170313631	/nfs/dbraw/zinc/31/36/31/170313631.db2.gz	FYNGTYQDXVLGLR-NSHDSACASA-N	-1	0	263.293	1.518	40	0		CDABRM
CCc1nn([C@H](C)C(=O)[O-])c(=O)c2cc3sccc3n21	ZINC000012115286	170469534	/nfs/dbraw/zinc/46/95/34/170469534.db2.gz	GUMJWRTWKNYXAJ-SSDOTTSWSA-N	-1	0	291.332	1.919	40	0		CDABRM
CC1=C(C(=O)[O-])[C@H](c2ccc(F)c(F)c2)CC(=O)N1	ZINC000044563696	175207430	/nfs/dbraw/zinc/20/74/30/175207430.db2.gz	NSMRVZQSTBZQAY-QMMMGPOBSA-N	-1	0	267.231	1.927	40	0		CDABRM
Cc1cc(NC(=O)c2ccnn2C)ccc1C(=O)[O-]	ZINC000044750064	175244810	/nfs/dbraw/zinc/24/48/10/175244810.db2.gz	KMEYLXSEMOKDOH-UHFFFAOYSA-N	-1	0	259.265	1.679	40	0		CDABRM
CC(C)c1noc(-c2cccn3c(CC(=O)[O-])nnc23)n1	ZINC000072221301	176343405	/nfs/dbraw/zinc/34/34/05/176343405.db2.gz	UJVUYJYXEITRGS-UHFFFAOYSA-N	-1	0	287.279	1.530	40	0		CDABRM
O=C([O-])CN1C=Nc2sc3c(c2[C@@H]1O)CCCC3	ZINC000096372315	264790982	/nfs/dbraw/zinc/79/09/82/264790982.db2.gz	ZHMYKMURBADOHT-LBPRGKRZSA-N	-1	0	266.322	1.678	40	0		CDABRM
CC(=O)N[C@@H](Cc1cc(C)c(O)c(C)c1)C(=O)[O-]	ZINC000001713865	278140812	/nfs/dbraw/zinc/14/08/12/278140812.db2.gz	YJPOHZIDVHPMSD-NSHDSACASA-N	-1	0	251.282	1.141	40	0		CDABRM
C[C@H]1CC[C@H]2C(C)(C)C[C@@](C)(CO)[C@]2(O)[C@@H]1C(=O)[O-]	ZINC000077257433	300076003	/nfs/dbraw/zinc/07/60/03/300076003.db2.gz	CAKZQSFFOAEEET-UQXKVLDMSA-N	-1	0	270.369	1.893	40	0	biogenic,in-vitro	CDABRM
O=c1c2nnc3ccnn3c2ccn1-c1ccccc1[S-]	ZINC000040163916	304816841	/nfs/dbraw/zinc/81/68/41/304816841.db2.gz	UUZIJQYNQUISCQ-UHFFFAOYSA-N	-1	0	295.327	1.717	40	0		CDABRM
CC(C)(C)OC(=O)N1C[C@@H]2COC[C@H](C1)C2C(=O)[O-]	ZINC000212688491	1160698226	/nfs/dbraw/zinc/69/82/26/1160698226.db2.gz	VRWXODJRSXSVOM-ULKQDVFKSA-N	-1	0	271.313	1.201	40	0		CDABRM
COC[C@](C)(CC(=O)[O-])NC(=O)[C@H]1CC=CCC1	ZINC000237094275	601290754	/nfs/dbraw/zinc/29/07/54/601290754.db2.gz	MPRVIFDSOPKWLF-GWCFXTLKSA-N	-1	0	255.314	1.339	40	0		CDABRM
COC(=O)N[C@H](C(=O)[O-])C12CC(C(F)(F)F)(C1)C2	ZINC000144324844	1177913669	/nfs/dbraw/zinc/91/36/69/1177913669.db2.gz	XZNSODXWWKJGPJ-RORPDPNFSA-N	-1	0	267.203	1.528	40	0		CDABRM
CC(C)(C)OC(=O)N1CC/C(=C\C(=O)[O-])[C@H](F)C1	ZINC000584905807	342139668	/nfs/dbraw/zinc/13/96/68/342139668.db2.gz	BWDJUXZJRYQAES-BNICOGTQSA-N	-1	0	259.277	1.976	40	0		CDABRM
COC(=O)c1c(F)cccc1[N-]S(=O)(=O)c1cn[nH]c1	ZINC000171750852	362109157	/nfs/dbraw/zinc/10/91/57/362109157.db2.gz	VZZQCMDJJLEKIJ-UHFFFAOYSA-N	-1	0	299.283	1.136	40	0		CDABRM
O=C([O-])c1ccc(OCCNC(=O)C2CCOCC2)cc1	ZINC000537482885	282361926	/nfs/dbraw/zinc/36/19/26/282361926.db2.gz	VTMBAVSBSVPFJA-UHFFFAOYSA-N	-1	0	293.319	1.306	40	0		CDABRM
CCCc1nc(CNS(=O)(=O)c2ccc(C)cc2)no1	ZINC000033714544	348738254	/nfs/dbraw/zinc/73/82/54/348738254.db2.gz	NAZKSPVCUOQJCW-UHFFFAOYSA-N	-1	0	295.364	1.809	40	0		CDABRM
COc1cc(Cn2cc(C(=O)[O-])nn2)cc(OC)c1OC	ZINC000256050402	350908907	/nfs/dbraw/zinc/90/89/07/350908907.db2.gz	DWEUSGJDHNJNFA-UHFFFAOYSA-N	-1	0	293.279	1.050	40	0		CDABRM
O=C1NCCC[C@@H]1N=c1nc(C2CCCC2)[n-]s1	ZINC000333839021	363183203	/nfs/dbraw/zinc/18/32/03/363183203.db2.gz	KUXQLAKNADKQDJ-VIFPVBQESA-N	-1	0	266.370	1.308	40	0		CDABRM
COc1cc(OC)nc(N2CCC[C@@H](CC(=O)[O-])C2)n1	ZINC000159744254	363270009	/nfs/dbraw/zinc/27/00/09/363270009.db2.gz	FFLXKRJMCFGQKT-VIFPVBQESA-N	-1	0	281.312	1.185	40	0		CDABRM
O=C([O-])C1(C(=O)NC(=O)Nc2ccccc2)CCCC1	ZINC000001752246	355950892	/nfs/dbraw/zinc/95/08/92/355950892.db2.gz	AJIJJRWZZWRHIA-UHFFFAOYSA-N	-1	0	276.292	1.980	40	0		CDABRM
O=C([O-])[C@@H]1[C@H](C(=O)NC[C@H]2CCCO2)[C@@H]2CC[C@H]1C2	ZINC000004179810	356021288	/nfs/dbraw/zinc/02/12/88/356021288.db2.gz	QZJPDCZBYMDOCY-ROHXPCBUSA-N	-1	0	267.325	1.029	40	0		CDABRM
O=c1nc(-c2ccccc2)oc2cc([O-])oc(=O)c12	ZINC000006344816	356073691	/nfs/dbraw/zinc/07/36/91/356073691.db2.gz	IAEQQSOMGGPKBV-UHFFFAOYSA-N	-1	0	257.201	1.514	40	0		CDABRM
CCc1nn([C@H](C)C(=O)[O-])c(=O)c2cc3ccsc3n21	ZINC000012114264	356287948	/nfs/dbraw/zinc/28/79/48/356287948.db2.gz	ARPITJJILXSBMU-SSDOTTSWSA-N	-1	0	291.332	1.919	40	0		CDABRM
CCOC(=O)CCOCCCCOCCC(=O)[O-]	ZINC000012650771	356316235	/nfs/dbraw/zinc/31/62/35/356316235.db2.gz	VCDLMNWBMVNGAK-UHFFFAOYSA-N	-1	0	262.302	1.228	40	0		CDABRM
CC[C@@H](C)Nc1ccc(S(N)(=O)=O)cc1C(=O)[O-]	ZINC000013276750	356341542	/nfs/dbraw/zinc/34/15/42/356341542.db2.gz	RSICNKVVEASNJR-SSDOTTSWSA-N	-1	0	272.326	1.243	40	0		CDABRM
C[C@]1(C(=O)[O-])CSC(c2ccc(O)cc2O)=N1	ZINC000013645794	356351623	/nfs/dbraw/zinc/35/16/23/356351623.db2.gz	OEUUFNIKLCFNLN-LLVKDONJSA-N	-1	0	253.279	1.435	40	0	in-man	CDABRM
Nc1ncc(C(=O)c2cc(Br)ccc2[O-])cn1	ZINC000032501276	356780872	/nfs/dbraw/zinc/78/08/72/356780872.db2.gz	YOGUUSWQENWHBI-UHFFFAOYSA-N	-1	0	294.108	1.758	40	0		CDABRM
CC(=O)Nc1nnc(S(=O)(=O)[N-]c2ccccc2)s1	ZINC000036182755	356864830	/nfs/dbraw/zinc/86/48/30/356864830.db2.gz	HPWAGKKIZZIGRT-UHFFFAOYSA-N	-1	0	298.349	1.297	40	0		CDABRM
Cc1ccc(C[C@H](C(=O)[O-])[NH+]2CCN(C)CC2)cc1Cl	ZINC000057626283	357362159	/nfs/dbraw/zinc/36/21/59/357362159.db2.gz	YRDCMXRLQHRPKB-CQSZACIVSA-N	-1	0	296.798	1.892	40	0		CDABRM
O=C([O-])CNC(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F	ZINC000134434594	304068940	/nfs/dbraw/zinc/06/89/40/304068940.db2.gz	RPXHKMVKRJKFIF-RQJHMYQMSA-N	-1	0	253.220	1.556	40	0		CDABRM
Cc1nc(-n2ncc(C(=O)[O-])n2)c(Cl)cc1Cl	ZINC000089262171	358399867	/nfs/dbraw/zinc/39/98/67/358399867.db2.gz	CCQQHMIHNWTVAO-UHFFFAOYSA-N	-1	0	273.079	1.976	40	0		CDABRM
C[C@@H](NS(=O)(=O)Cc1ccc(C(F)F)cc1)C(=O)[O-]	ZINC000263091317	359227962	/nfs/dbraw/zinc/22/79/62/359227962.db2.gz	DSJWXWIFUHEXQV-SSDOTTSWSA-N	-1	0	293.291	1.517	40	0		CDABRM
CC[C@H](C)NC(=O)c1sc([N-]S(C)(=O)=O)nc1C	ZINC000225876897	359627590	/nfs/dbraw/zinc/62/75/90/359627590.db2.gz	NXZAFSBICHJDLO-LURJTMIESA-N	-1	0	291.398	1.351	40	0		CDABRM
CCC(=O)N(c1ccccc1O)[C@H]1CCS(=O)(=O)C1	ZINC000217386719	360208369	/nfs/dbraw/zinc/20/83/69/360208369.db2.gz	RZUIJXRUQVXYJW-JTQLQIEISA-N	-1	0	283.349	1.322	40	0		CDABRM
C[C@@]12C=C[C@@H](O1)[C@@H](C(=O)[O-])[C@H]2C(=O)NCc1ccccc1	ZINC000409379897	364075117	/nfs/dbraw/zinc/07/51/17/364075117.db2.gz	BCRNPJSVSXFVRU-FOCJUVANSA-N	-1	0	287.315	1.347	40	0		CDABRM
CCc1ccccc1NC(=O)[C@@H]1[C@@H](C(=O)[O-])[C@H]2C=C[C@@H]1O2	ZINC000169296918	365035326	/nfs/dbraw/zinc/03/53/26/365035326.db2.gz	CGXAEUHVOGPLNT-CRWXNKLISA-N	-1	0	287.315	1.842	40	0		CDABRM
C[C@@H](C(=O)[O-])n1nc2cccc(Br)c2n1	ZINC000218252637	365118078	/nfs/dbraw/zinc/11/80/78/365118078.db2.gz	KVOSRQIYDGLYNE-YFKPBYRVSA-N	-1	0	270.086	1.839	40	0		CDABRM
COCc1c(C(=O)[O-])nnn1Cc1ccc(F)cc1	ZINC000062279732	374138935	/nfs/dbraw/zinc/13/89/35/374138935.db2.gz	SJJKAWLSYCWWFQ-UHFFFAOYSA-N	-1	0	265.244	1.310	40	0		CDABRM
CCS(=O)(=O)C(C)=C([O-])c1ccc(OC)cc1	ZINC000081907219	374562584	/nfs/dbraw/zinc/56/25/84/374562584.db2.gz	KMACMTLBWLWLIE-SECBINFHSA-N	-1	0	256.323	1.701	40	0		CDABRM
Cc1ccc(C(=O)C[C@H]([NH2+]CCC(=O)[O-])C(=O)[O-])cc1	ZINC000012651551	375020588	/nfs/dbraw/zinc/02/05/88/375020588.db2.gz	DGZDFDAVEQPSED-NSHDSACASA-N	-1	0	279.292	1.085	40	0		CDABRM
CC[C@H](NCc1cnc(SC)nc1)[P@@](=O)([O-])O	ZINC000218772925	375878713	/nfs/dbraw/zinc/87/87/13/375878713.db2.gz	LALNDOFEBCQDEM-MRVPVSSYSA-N	-1	0	277.286	1.202	40	0		CDABRM
O=C([O-])[C@H]1COC2(CCCCC2)N1C(=O)c1ccncc1	ZINC000071979768	304199190	/nfs/dbraw/zinc/19/91/90/304199190.db2.gz	WYQYUNMPMCDEPL-GFCCVEGCSA-N	-1	0	290.319	1.668	40	0		CDABRM
O=C([O-])c1cccn(OCc2ccccc2F)c1=O	ZINC000041670716	377689491	/nfs/dbraw/zinc/68/94/91/377689491.db2.gz	JXFXKZFDGOKNHQ-UHFFFAOYSA-N	-1	0	263.224	1.314	40	0		CDABRM
CCCc1noc(C2CCN(C(=O)CCC(=O)[O-])CC2)n1	ZINC000041123551	379333384	/nfs/dbraw/zinc/33/33/84/379333384.db2.gz	OUODKFTUYQGPGB-UHFFFAOYSA-N	-1	0	295.339	1.593	40	0		CDABRM
Nc1nc(C2CCCC2)c(Br)c(=O)[n-]1	ZINC000016939694	390221539	/nfs/dbraw/zinc/22/15/39/390221539.db2.gz	JLKDCBDQHNYSPK-UHFFFAOYSA-N	-1	0	258.119	1.772	40	0		CDABRM
O=C([O-])[C@H]1Cc2[nH]cnc2[C@@H](c2ccc(F)cc2F)N1	ZINC000005066873	391722552	/nfs/dbraw/zinc/72/25/52/391722552.db2.gz	ULACLSPXYNHYDS-GHMZBOCLSA-N	-1	0	279.246	1.376	40	0		CDABRM
CCc1ccccc1NC(=O)[C@@H]1[C@H]2C=C[C@H](O2)[C@@H]1C(=O)[O-]	ZINC000004990534	170050499	/nfs/dbraw/zinc/05/04/99/170050499.db2.gz	CGXAEUHVOGPLNT-RQJABVFESA-N	-1	0	287.315	1.842	40	0		CDABRM
O=C([O-])[C@H]1[C@H]2C=C[C@H](CC2)[C@@H]1C(=O)NCc1ccccn1	ZINC000006715727	170232057	/nfs/dbraw/zinc/23/20/57/170232057.db2.gz	PHPVKNRANYSRPG-XWUBHJNHSA-N	-1	0	286.331	1.611	40	0		CDABRM
CC(C)(C)OC(=O)N[C@H](c1cccc(F)c1)[C@@H](O)C(=O)[O-]	ZINC000008700590	170346881	/nfs/dbraw/zinc/34/68/81/170346881.db2.gz	LOILSZBYEOKFTC-GHMZBOCLSA-N	-1	0	299.298	1.837	40	0		CDABRM
COc1ccc(-n2c(=O)c(C(=O)[O-])c[nH]c2=S)cc1	ZINC000020156303	171039025	/nfs/dbraw/zinc/03/90/25/171039025.db2.gz	JTLFMROJENKHNR-UHFFFAOYSA-N	-1	0	278.289	1.602	40	0		CDABRM
CC[C@H](C(=O)[O-])N(C)C(=O)Cc1csc(C)n1	ZINC000044615576	175218049	/nfs/dbraw/zinc/21/80/49/175218049.db2.gz	XHOTWLHJTJOIER-SECBINFHSA-N	-1	0	256.327	1.316	40	0		CDABRM
Cc1cc(C)n(CC(=O)N(CC(=O)[O-])CC(C)C)n1	ZINC000062742323	175673753	/nfs/dbraw/zinc/67/37/53/175673753.db2.gz	XYUAWKPORFYJDR-UHFFFAOYSA-N	-1	0	267.329	1.069	40	0		CDABRM
Cn1ccc(CN2CC[C@H](C(=O)[O-])c3ccccc32)n1	ZINC000211853196	323573610	/nfs/dbraw/zinc/57/36/10/323573610.db2.gz	PDJRUYSTRUDZIP-ZDUSSCGKSA-N	-1	0	271.320	1.999	40	0		CDABRM
Cc1ccc(CN2Cc3ncn(C)c3[C@@H](C(=O)[O-])C2)s1	ZINC000096067810	185085573	/nfs/dbraw/zinc/08/55/73/185085573.db2.gz	MKSNHNFGUSQFNX-NSHDSACASA-N	-1	0	291.376	1.974	40	0		CDABRM
Cc1nn(C)c(C)c1C(=O)Nc1nc(CC(=O)[O-])cs1	ZINC000020215781	539123434	/nfs/dbraw/zinc/12/34/34/539123434.db2.gz	YXCUVNRLSQLTAF-UHFFFAOYSA-N	-1	0	294.336	1.373	40	0		CDABRM
O=C([O-])[C@H]1CCCN(c2nc3ccccc3[nH]c2=O)C1	ZINC000096516227	136520915	/nfs/dbraw/zinc/52/09/15/136520915.db2.gz	RNXUFKXAIUIKQG-VIFPVBQESA-N	-1	0	273.292	1.224	40	0		CDABRM
C[C@@H](O)SC[C@H](NC(=O)OCc1ccccc1)C(=O)[O-]	ZINC000584577597	346367399	/nfs/dbraw/zinc/36/73/99/346367399.db2.gz	MXGBSFISTWXCDB-ONGXEEELSA-N	-1	0	299.348	1.438	40	0		CDABRM
COc1cc2c([O-])cc(=O)[nH]c2c(OC)c1OC	ZINC000257197747	350954236	/nfs/dbraw/zinc/95/42/36/350954236.db2.gz	IKHZXMFWBZYOSD-UHFFFAOYSA-N	-1	0	251.238	1.672	40	0		CDABRM
C[C@]1(CBr)[C@@H](C(N)=O)CC[C@]1(C)C(=O)[O-]	ZINC000308702467	538203590	/nfs/dbraw/zinc/20/35/90/538203590.db2.gz	GDVKTHPEYJKGGD-DRTBCBBWSA-N	-1	0	278.146	1.374	40	0		CDABRM
COc1ccc([C@H]2CCC(=O)C[C@@]2(O)C(=O)[O-])cc1	ZINC000001644699	355944165	/nfs/dbraw/zinc/94/41/65/355944165.db2.gz	OHGKIELKQXELNR-OCCSQVGLSA-N	-1	0	264.277	1.348	40	0		CDABRM
CC[C@](S[C@@H](C)C(N)=O)(C(=O)[O-])c1ccccc1	ZINC000001752259	355950408	/nfs/dbraw/zinc/95/04/08/355950408.db2.gz	JVIWVXBCVDQBOQ-TVQRCGJNSA-N	-1	0	267.350	1.984	40	0		CDABRM
O=C1c2cccc3cccc(c23)[C@]1(O)S(=O)(=O)[O-]	ZINC000004769174	356043602	/nfs/dbraw/zinc/04/36/02/356043602.db2.gz	XTXICASOHNRPJO-LBPRGKRZSA-N	-1	0	264.258	1.069	40	0		CDABRM
CC(C)C[C@@H](C(=O)[O-])N1C(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O	ZINC000002565399	356086784	/nfs/dbraw/zinc/08/67/84/356086784.db2.gz	DHQLZILRNNWMGY-KZZRWZIVSA-N	-1	0	277.320	1.293	40	0		CDABRM
O=c1[n-]n([C@@H]2CCCOC2)c(=O)c2c1CCCC2	ZINC000634621479	356585387	/nfs/dbraw/zinc/58/53/87/356585387.db2.gz	HZLOQJVCOFQCFF-SECBINFHSA-N	-1	0	250.298	1.179	40	0		CDABRM
COc1cc(N2CCC(C(=O)[O-])CC2)nc(SC)n1	ZINC000079439537	356996315	/nfs/dbraw/zinc/99/63/15/356996315.db2.gz	ALJAYURNOFIOEV-UHFFFAOYSA-N	-1	0	283.353	1.508	40	0		CDABRM
Nc1cc(SCC(=O)[O-])nc(-c2ccccc2)n1	ZINC000049469973	357217654	/nfs/dbraw/zinc/21/76/54/357217654.db2.gz	JQEQMGITAGBIKJ-UHFFFAOYSA-N	-1	0	261.306	1.903	40	0		CDABRM
C[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)Nc2nn[nH]n2)c1	ZINC000060380408	357441259	/nfs/dbraw/zinc/44/12/59/357441259.db2.gz	HNAZLCCQDIBTCQ-XVKPBYJWSA-N	-1	0	286.295	1.047	40	0		CDABRM
Cc1nc2c(c(N3CC[C@H](C(=O)[O-])C3)n1)CCCC2	ZINC000096516895	357522179	/nfs/dbraw/zinc/52/21/79/357522179.db2.gz	IIPMTIWAJSHGKK-JTQLQIEISA-N	-1	0	261.325	1.575	40	0		CDABRM
CC[NH+]1CCN(CCCOc2ccccc2C(=O)[O-])CC1	ZINC000019798148	358143073	/nfs/dbraw/zinc/14/30/73/358143073.db2.gz	AIHUQFJEOZNOFU-UHFFFAOYSA-N	-1	0	292.379	1.791	40	0		CDABRM
CCn1cnc2c1[C@@H](C(=O)[O-])CN(C(=O)c1ccoc1)C2	ZINC000096067842	358707799	/nfs/dbraw/zinc/70/77/99/358707799.db2.gz	BWXYDYOJJFEDIW-JTQLQIEISA-N	-1	0	289.291	1.320	40	0		CDABRM
COC(=O)[C@H]1C([O-])=C(C(C)=O)C(=O)C[C@@H]1c1ccccc1	ZINC000101140813	358840656	/nfs/dbraw/zinc/84/06/56/358840656.db2.gz	WOEWRLOEFTXBAJ-KWCYVHTRSA-N	-1	0	288.299	1.307	40	0		CDABRM
O=C1O[C@H]([C@H]2CO[C@H](c3ccccc3)O2)C([O-])=C1O	ZINC000104275771	358954057	/nfs/dbraw/zinc/95/40/57/358954057.db2.gz	SWTGJCNCBUCXSS-DYLAAIIWSA-N	-1	0	264.233	1.354	40	0		CDABRM
CCc1ccc(OCc2ncc(CC(=O)[O-])c(=O)[nH]2)cc1	ZINC000217386631	358997973	/nfs/dbraw/zinc/99/79/73/358997973.db2.gz	BGXIKERAXBSQGC-UHFFFAOYSA-N	-1	0	288.303	1.538	40	0		CDABRM
CC(C)(C)OC(=O)N[C@]1(C(=O)[O-])C[C@@H]1C(F)(F)F	ZINC000043642234	359072437	/nfs/dbraw/zinc/07/24/37/359072437.db2.gz	KJGSUQDOMSXKIH-SSDLBLMSSA-N	-1	0	269.219	1.917	40	0		CDABRM
C[C@@H]1CC[C@@H]2C(C)(C)C[C@](C)(CO)[C@@]2(O)[C@H]1C(=O)[O-]	ZINC000247854348	359139175	/nfs/dbraw/zinc/13/91/75/359139175.db2.gz	CAKZQSFFOAEEET-XBIAIPMCSA-N	-1	0	270.369	1.893	40	0	biogenic,in-vitro	CDABRM
Cc1nc([N-]S(C)(=O)=O)sc1C(=O)NCC(C)C	ZINC000225876857	359627646	/nfs/dbraw/zinc/62/76/46/359627646.db2.gz	VCQXLXZCXYMQDB-UHFFFAOYSA-N	-1	0	291.398	1.209	40	0		CDABRM
CCN1C(=O)C(=Cc2ccccc2C(=O)[O-])NC1=S	ZINC000012411883	360161464	/nfs/dbraw/zinc/16/14/64/360161464.db2.gz	KGOKVFBCWUMRLT-JXMROGBWSA-N	-1	0	276.317	1.874	40	0		CDABRM
Cn1nccc1C(=O)Nc1ccccc1CC(=O)[O-]	ZINC000053200322	361206932	/nfs/dbraw/zinc/20/69/32/361206932.db2.gz	WPJCUYREGNMZFM-UHFFFAOYSA-N	-1	0	259.265	1.300	40	0		CDABRM
CC(C)C[C@H](NC(=O)c1cccc(Cl)n1)C(=O)[O-]	ZINC000051067663	364998476	/nfs/dbraw/zinc/99/84/76/364998476.db2.gz	NMBSATORGVRKMB-VIFPVBQESA-N	-1	0	270.716	1.964	40	0		CDABRM
Cc1cc(C(=O)[O-])c(=O)n(Cc2ccc(Cl)cc2)n1	ZINC000225961557	189768217	/nfs/dbraw/zinc/76/82/17/189768217.db2.gz	GXAFITCXQGNOMY-UHFFFAOYSA-N	-1	0	278.695	1.952	40	0		CDABRM
O=C([O-])[C@@H]1[C@@H](C(=O)Nc2ccc3c(c2)CCC3)[C@H]2C=C[C@@H]1O2	ZINC000006741577	304155143	/nfs/dbraw/zinc/15/51/43/304155143.db2.gz	MDZGXPLSYJJQDG-QPSCCSFWSA-N	-1	0	299.326	1.768	40	0		CDABRM
O=C([O-])[C@H](CC(=O)c1ccc(F)cc1)N1CCOCC1	ZINC000256028221	190002249	/nfs/dbraw/zinc/00/22/49/190002249.db2.gz	ZBALCCWELRWJFK-LBPRGKRZSA-N	-1	0	281.283	1.184	40	0		CDABRM
O=C([O-])C(F)(F)[S@](=O)c1nc2ccccc2[nH]1	ZINC000217576248	375678611	/nfs/dbraw/zinc/67/86/11/375678611.db2.gz	PEZDTGHTXPERDL-QGZVFWFLSA-N	-1	0	260.221	1.348	40	0		CDABRM
CCN(C)c1ccc(N2C[C@H](C(=O)[O-])CC2=O)cc1	ZINC000070461209	377035753	/nfs/dbraw/zinc/03/57/53/377035753.db2.gz	YQEYMRMFVVEHMS-SNVBAGLBSA-N	-1	0	262.309	1.580	40	0		CDABRM
O=C([O-])CSc1n[nH]c(COc2ccccc2)n1	ZINC000026473255	256783863	/nfs/dbraw/zinc/78/38/63/256783863.db2.gz	LQRZDFTVEYAYOQ-UHFFFAOYSA-N	-1	0	265.294	1.560	40	0		CDABRM
COC(=O)[C@H]1C[C@H](C(=O)[O-])[C@H](c2ccc(F)cc2)N1C	ZINC000034785160	390404920	/nfs/dbraw/zinc/40/49/20/390404920.db2.gz	OKKOTOAANUPPHY-TUAOUCFPSA-N	-1	0	281.283	1.445	40	0		CDABRM
Cc1nc2c(c(=O)n1Cc1cccc(C(=O)[O-])c1)CCC2	ZINC000096531068	390540481	/nfs/dbraw/zinc/54/04/81/390540481.db2.gz	VZCXYNLIOZCHLE-UHFFFAOYSA-N	-1	0	284.315	1.787	40	0		CDABRM
CN(C)c1c(Br)cncc1S(=O)(=O)[O-]	ZINC000072210936	390618393	/nfs/dbraw/zinc/61/83/93/390618393.db2.gz	CPXUJAMOIWWKNJ-UHFFFAOYSA-N	-1	0	281.131	1.157	40	0		CDABRM
CC[C@H](C)[C@@](C)(O)CNc1ncccc1C(=O)[O-]	ZINC000647450592	390960543	/nfs/dbraw/zinc/96/05/43/390960543.db2.gz	WAMZKSVBYXCTBL-ZANVPECISA-N	-1	0	252.314	1.989	40	0		CDABRM
O=C([O-])C1=NN(Cc2ccccc2F)C(=O)CC1	ZINC000036771746	391638251	/nfs/dbraw/zinc/63/82/51/391638251.db2.gz	CTCXFEXQKKLKCV-UHFFFAOYSA-N	-1	0	250.229	1.389	40	0		CDABRM
COC[C@H](C)C(=O)Nc1ccc(C(=O)[O-])c(C)c1	ZINC000237234484	131016696	/nfs/dbraw/zinc/01/66/96/131016696.db2.gz	WTPKEECVQQIVRD-VIFPVBQESA-N	-1	0	251.282	1.914	40	0		CDABRM
C[C@@H]1CC[C@H]2C(C)(C)C[C@@](C)(CO)[C@]2(O)[C@@H]1C(=O)[O-]	ZINC000077257431	296748021	/nfs/dbraw/zinc/74/80/21/296748021.db2.gz	CAKZQSFFOAEEET-YRRINSJYSA-N	-1	0	270.369	1.893	40	0	biogenic,in-vitro	CDABRM
O=C([O-])[C@H](CO)NC(=O)Nc1ccc(Cl)c(Cl)c1	ZINC000005568172	170114680	/nfs/dbraw/zinc/11/46/80/170114680.db2.gz	YYHJTISWLXIGKZ-QMMMGPOBSA-N	-1	0	293.106	1.560	40	0		CDABRM
O=C([O-])[C@H]1[C@@H]2C=C[C@@H](O2)[C@H]1C(=O)NCc1cccs1	ZINC000006726054	170232926	/nfs/dbraw/zinc/23/29/26/170232926.db2.gz	QYLRKLRVQQRJDU-YTWAJWBKSA-N	-1	0	279.317	1.019	40	0		CDABRM
CC1=C(C(=O)[O-])Sc2nnc(Cc3ccccc3)n2N1	ZINC000011729766	170434377	/nfs/dbraw/zinc/43/43/77/170434377.db2.gz	ZYOHXAJALNJWGS-NSHDSACASA-N	-1	0	288.332	1.652	40	0		CDABRM
COc1ccc(NC2=C[C@@](C)(C(=O)[O-])OC2=O)cc1	ZINC000005121254	260017203	/nfs/dbraw/zinc/01/72/03/260017203.db2.gz	DXPPYSXVFNEBBV-ZDUSSCGKSA-N	-1	0	263.249	1.391	40	0		CDABRM
CC(C)(C)OC(=O)N1CCC[C@H](c2nnn[n-]2)C1	ZINC000034219001	277186850	/nfs/dbraw/zinc/18/68/50/277186850.db2.gz	IJGIPCAPKVENLU-QMMMGPOBSA-N	-1	0	253.306	1.314	40	0		CDABRM
CC1(C)CC(=O)c2cnc([N-]S(C)(=O)=O)nc2C1	ZINC000013636350	280898838	/nfs/dbraw/zinc/89/88/38/280898838.db2.gz	LEQJCZUJTOBDLQ-UHFFFAOYSA-N	-1	0	269.326	1.003	40	0		CDABRM
COc1cc2[nH]c(C(=O)[O-])c(NC(C)=O)c2cc1OC	ZINC000006857006	295028697	/nfs/dbraw/zinc/02/86/97/295028697.db2.gz	HHZPABZKGWQUNM-UHFFFAOYSA-N	-1	0	278.264	1.842	40	0		CDABRM
COc1ccc(OC)c2c(=O)c(Br)n[n-]c12	ZINC000225741158	295184723	/nfs/dbraw/zinc/18/47/23/295184723.db2.gz	PABSZHGVEZPHHB-UHFFFAOYSA-N	-1	0	285.097	1.703	40	0		CDABRM
COc1cccc([C@@H]2OC(=O)C[C@@H]2C(=O)[O-])c1OC	ZINC000085394090	295320566	/nfs/dbraw/zinc/32/05/66/295320566.db2.gz	YETPCHIJGJYLFH-KWQFWETISA-N	-1	0	266.249	1.393	40	0		CDABRM
Cc1cc(C)nc(-n2[n-]c3[nH]c(C)c(C)c(=O)c3c2=O)n1	ZINC000005452493	301260359	/nfs/dbraw/zinc/26/03/59/301260359.db2.gz	DWDOBLBQKDVYSQ-UHFFFAOYSA-N	-1	0	285.307	1.031	40	0		CDABRM
O=C([O-])CCN(Cc1ccccc1)C(=O)[C@H]1CCCOC1	ZINC000678973589	483238038	/nfs/dbraw/zinc/23/80/38/483238038.db2.gz	HBTPILZVVQVGBF-AWEZNQCLSA-N	-1	0	291.347	1.917	40	0		CDABRM
O=C([O-])[C@@H]1CS[C@@H](Cc2cccc(F)c2)C(=O)N1	ZINC000062712222	526289061	/nfs/dbraw/zinc/28/90/61/526289061.db2.gz	FHDRMGXAVGKUPH-UWVGGRQHSA-N	-1	0	269.297	1.053	40	0		CDABRM
COc1ccccc1COc1c[nH]c(C(=O)[O-])cc1=O	ZINC000096299152	1174562719	/nfs/dbraw/zinc/56/27/19/1174562719.db2.gz	UZXVUMRGKHSCTF-UHFFFAOYSA-N	-1	0	275.260	1.661	40	0		CDABRM
COC(=O)[C@@H]1CC[C@H](C(=O)[O-])N1Cc1ccccc1	ZINC000034161202	343397625	/nfs/dbraw/zinc/39/76/25/343397625.db2.gz	PPRLCASKVDQSEK-NEPJUHHUSA-N	-1	0	263.293	1.277	40	0		CDABRM
C[C@@H]1CC[C@@H]2C(C(=O)[O-])=C[C@]3(O)[C@H](O)C(C)(C)C[C@@]123	ZINC000604381336	344886525	/nfs/dbraw/zinc/88/65/25/344886525.db2.gz	JNCGMAOIGAQWEQ-RQUBUIJKSA-N	-1	0	266.337	1.565	40	0	biogenic,in-vitro	CDABRM
Cc1ccccc1-n1cccc1/C=C1/NC(=O)[N-]C1=O	ZINC000001100338	346028957	/nfs/dbraw/zinc/02/89/57/346028957.db2.gz	WOZQPOGHZCJKMD-FMIVXFBMSA-N	-1	0	267.288	1.966	40	0		CDABRM
COc1ccc(S(=O)(=O)[N-]C(=O)c2ccccc2)cc1	ZINC000002024530	355958519	/nfs/dbraw/zinc/95/85/19/355958519.db2.gz	HQQRJMKXWGUJCG-UHFFFAOYSA-N	-1	0	291.328	1.814	40	0		CDABRM
C[C@]12C=C[C@H](O1)[C@H]1C(=O)N(c3cccc(C(=O)[O-])c3)C(=O)[C@@H]12	ZINC000004697736	356040476	/nfs/dbraw/zinc/04/04/76/356040476.db2.gz	FLJJAJJARNCUPA-XSUJLISDSA-N	-1	0	299.282	1.218	40	0		CDABRM
CCCNc1ccc(C(=O)[O-])cc1S(=O)(=O)NC	ZINC000036720847	356878675	/nfs/dbraw/zinc/87/86/75/356878675.db2.gz	NKPSMCSSKZPENP-UHFFFAOYSA-N	-1	0	272.326	1.115	40	0		CDABRM
Nc1n[nH]c(SCc2ccc(C(=O)[O-])cc2)n1	ZINC000041063011	357020599	/nfs/dbraw/zinc/02/05/99/357020599.db2.gz	PPFONNOVAJFUSA-UHFFFAOYSA-N	-1	0	250.283	1.377	40	0		CDABRM
O=C([O-])c1cnc(Cc2ccccc2)nc1N1CCOCC1	ZINC000049469344	357217225	/nfs/dbraw/zinc/21/72/25/357217225.db2.gz	HJDKRKCSOFXWGV-UHFFFAOYSA-N	-1	0	299.330	1.602	40	0		CDABRM
O=C([O-])CCn1nnc(-c2cccc(Cl)c2)n1	ZINC000077435068	357433447	/nfs/dbraw/zinc/43/34/47/357433447.db2.gz	QAQITBIQKRSCCF-UHFFFAOYSA-N	-1	0	252.661	1.468	40	0		CDABRM
CC(C)(C)OC(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1=O	ZINC000064219591	357521316	/nfs/dbraw/zinc/52/13/16/357521316.db2.gz	GQMNNPWVHIUYNM-YUMQZZPRSA-N	-1	0	257.286	1.334	40	0		CDABRM
O=C([O-])[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C(=O)NCc1cccnc1	ZINC000013320671	366454695	/nfs/dbraw/zinc/45/46/95/366454695.db2.gz	JSZGNPPTEGDQCN-RNJOBUHISA-N	-1	0	274.320	1.445	40	0		CDABRM
C[C@H]1CCCN(Cc2cc(C(N)=O)cs2)[C@@H]1C(=O)[O-]	ZINC000263044853	359218138	/nfs/dbraw/zinc/21/81/38/359218138.db2.gz	JNUXPYORQGHCAK-KWQFWETISA-N	-1	0	282.365	1.532	40	0		CDABRM
Cc1ccc(-n2c(=O)cc(C(=O)[O-])[nH]c2=O)cc1Cl	ZINC000222649717	359362012	/nfs/dbraw/zinc/36/20/12/359362012.db2.gz	AFYPGTHWFZSVGV-UHFFFAOYSA-N	-1	0	280.667	1.186	40	0		CDABRM
CC(C)(C)OC(=O)N1CC[C@@H](COCC(=O)[O-])C1	ZINC000026896635	359453924	/nfs/dbraw/zinc/45/39/24/359453924.db2.gz	MKNGUSJNWDTJDV-SECBINFHSA-N	-1	0	259.302	1.345	40	0		CDABRM
Cc1cccc(C)c1C[C@@H](C(=O)[O-])N1CCOCC1	ZINC000225141909	359552012	/nfs/dbraw/zinc/55/20/12/359552012.db2.gz	GKVGWWZSUQDNIS-AWEZNQCLSA-N	-1	0	263.337	1.631	40	0		CDABRM
C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1[C@@H](C(=O)[O-])[C@H]2C=C[C@@H]1O2	ZINC000225704494	359609460	/nfs/dbraw/zinc/60/94/60/359609460.db2.gz	RMGIGDUVERBGPU-KIHUBXBXSA-N	-1	0	299.326	1.618	40	0		CDABRM
O=C([O-])C[C@H]1CSc2nc(-c3ccco3)cc(=O)n21	ZINC000085397263	304087373	/nfs/dbraw/zinc/08/73/73/304087373.db2.gz	BOEOPVPOIALPNA-ZETCQYMHSA-N	-1	0	278.289	1.625	40	0		CDABRM
O=C([O-])[C@@H]1CC(=O)N(c2cc(Cl)ccc2O)C1	ZINC000004480380	360551339	/nfs/dbraw/zinc/55/13/39/360551339.db2.gz	NVFYUYGMHYBHTI-ZCFIWIBFSA-N	-1	0	255.657	1.483	40	0		CDABRM
CC(C)n1cc(Br)c2[n-][nH]c(=N)c2c1=O	ZINC000575422449	364839332	/nfs/dbraw/zinc/83/93/32/364839332.db2.gz	GFMNFEPUIIZGOI-UHFFFAOYSA-N	-1	0	271.118	1.481	40	0		CDABRM
COc1ccccc1NC(=O)[C@H]1[C@@H](C(=O)[O-])[C@H]2C=C[C@@H]1O2	ZINC000169299434	365036138	/nfs/dbraw/zinc/03/61/38/365036138.db2.gz	RXUSSKXDZAVMFJ-LOWDOPEQSA-N	-1	0	289.287	1.288	40	0		CDABRM
CC(=O)c1cc(C(=O)[O-])c(=O)n(-c2ccc(Cl)cc2)n1	ZINC000225966132	189768144	/nfs/dbraw/zinc/76/81/44/189768144.db2.gz	KISDWFKTANENCO-UHFFFAOYSA-N	-1	0	292.678	1.787	40	0		CDABRM
CC(C)C[C@]1(C)OC[C@@H]([C@@H]2OC(=O)C(O)=C2[O-])O1	ZINC000253563154	370226407	/nfs/dbraw/zinc/22/64/07/370226407.db2.gz	FCMBQTJMQJMBOC-VIRWGQHYSA-N	-1	0	258.270	1.417	40	0		CDABRM
O=C([O-])[C@H]1CCCN1c1nn2cnnc2c2ccccc21	ZINC000053943713	304188782	/nfs/dbraw/zinc/18/87/82/304188782.db2.gz	GREQCWOZJIAEHL-LLVKDONJSA-N	-1	0	283.291	1.331	40	0		CDABRM
O=C([O-])C1=Cc2ccccc2O[C@]1(O)C(F)(F)F	ZINC000217808446	375738827	/nfs/dbraw/zinc/73/88/27/375738827.db2.gz	KPOICNLYQATMDD-JTQLQIEISA-N	-1	0	260.167	1.798	40	0		CDABRM
O=C([O-])[C@H]1C[C@H]1S(=O)(=O)c1ccc(Cl)cc1	ZINC000218004461	375776824	/nfs/dbraw/zinc/77/68/24/375776824.db2.gz	ULVYOCNOCGILRF-DTWKUNHWSA-N	-1	0	260.698	1.587	40	0		CDABRM
Cc1c(Cl)cccc1C(=O)NC[C@](C)(O)C(=O)[O-]	ZINC000219558873	391057691	/nfs/dbraw/zinc/05/76/91/391057691.db2.gz	SXLZXGGWGZENSD-LBPRGKRZSA-N	-1	0	271.700	1.214	40	0		CDABRM
C[C@H](Oc1ccc2c(c1)[C@@H]1CCO[C@@H]1O2)C(=O)[O-]	ZINC000242498665	393195924	/nfs/dbraw/zinc/19/59/24/393195924.db2.gz	HMZHPDRSJJCXBS-DXVIDONBSA-N	-1	0	250.250	1.761	40	0		CDABRM
O=C([O-])C[C@@H]1CCCN1C(=O)c1cnn2ccccc12	ZINC000231893077	140219621	/nfs/dbraw/zinc/21/96/21/140219621.db2.gz	NBXJNWGMLDUHQJ-JTQLQIEISA-N	-1	0	273.292	1.414	40	0		CDABRM
CCc1nnc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])s1	ZINC000005318740	170085619	/nfs/dbraw/zinc/08/56/19/170085619.db2.gz	LEJGNWYTMKHNJO-KDDQHCCQSA-N	-1	0	293.348	1.562	40	0		CDABRM
NC(=O)C[C@H](SC(=S)C1=C(N)CCC1)C(=O)[O-]	ZINC000005575268	170115475	/nfs/dbraw/zinc/11/54/75/170115475.db2.gz	YQARZTRIYXLMCM-FSPLSTOPSA-N	-1	0	274.367	1.195	40	0		CDABRM
Cc1cc([N-]S(=O)(=O)c2ccccc2)nc(C)n1	ZINC000006368698	170195615	/nfs/dbraw/zinc/19/56/15/170195615.db2.gz	KCOVASABLTVILA-UHFFFAOYSA-N	-1	0	263.322	1.894	40	0		CDABRM
COc1ccc(OCC(=O)[O-])c2c1CC[C@H](C)C2=O	ZINC000006481309	170204148	/nfs/dbraw/zinc/20/41/48/170204148.db2.gz	GMXSBODIWUQWRV-QMMMGPOBSA-N	-1	0	264.277	1.924	40	0		CDABRM
COc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])c1	ZINC000022229543	171380027	/nfs/dbraw/zinc/38/00/27/171380027.db2.gz	MGWPFDINNFUSCI-LLVKDONJSA-N	-1	0	299.348	1.241	40	0		CDABRM
O=C([O-])[C@@H]1C[C@@H](O)[C@H](Nc2ccc(C(F)(F)F)nn2)C1	ZINC000662898062	413675350	/nfs/dbraw/zinc/67/53/50/413675350.db2.gz	RFROXGLFKHHPMC-RRKCRQDMSA-N	-1	0	291.229	1.131	40	0		CDABRM
COc1ccc([C@@H]2[C@H](C(=O)[O-])CC(=O)N2C2CC2)cc1	ZINC000045922844	175386912	/nfs/dbraw/zinc/38/69/12/175386912.db2.gz	IKVZZFZSCXRLKT-TZMCWYRMSA-N	-1	0	275.304	1.832	40	0		CDABRM
CCOC(=O)C1=NN(c2cccc(C)c2)[C@H](C(=O)[O-])C1	ZINC000071979295	176307896	/nfs/dbraw/zinc/30/78/96/176307896.db2.gz	OVDDHRDWNAPRTP-LBPRGKRZSA-N	-1	0	276.292	1.577	40	0		CDABRM
CC(=O)N1CCC[C@]1(CCCc1ccccn1)C(=O)[O-]	ZINC000072343768	176372251	/nfs/dbraw/zinc/37/22/51/176372251.db2.gz	ZPXXCWZJPDVFMG-OAHLLOKOSA-N	-1	0	276.336	1.870	40	0		CDABRM
CC(C)Oc1ccc([C@@H]2CNC(=O)[C@H]2C(=O)[O-])cc1	ZINC000076360006	177001234	/nfs/dbraw/zinc/00/12/34/177001234.db2.gz	VAWSZHIXCAWMOQ-RYUDHWBXSA-N	-1	0	263.293	1.388	40	0		CDABRM
CC(=O)O[C@@H]1CCC(=O)[C@@H]2[C@@H](C(=O)[O-])CCC[C@H]12	ZINC000004990477	278220461	/nfs/dbraw/zinc/22/04/61/278220461.db2.gz	XJAOIOPKJIPADH-DMWPJOQESA-N	-1	0	254.282	1.398	40	0		CDABRM
CC(C)C[C@H](C(=O)[O-])N1C(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O	ZINC000169618374	279076703	/nfs/dbraw/zinc/07/67/03/279076703.db2.gz	DHQLZILRNNWMGY-ROHXPCBUSA-N	-1	0	277.320	1.293	40	0		CDABRM
O=C([O-])CCNC(=O)/C=C\c1ccc(Cl)cc1	ZINC000062714386	279195451	/nfs/dbraw/zinc/19/54/51/279195451.db2.gz	DLBXXSNQOMVGDQ-UTCJRWHESA-N	-1	0	253.685	1.944	40	0		CDABRM
COc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])c1	ZINC000022229545	295102491	/nfs/dbraw/zinc/10/24/91/295102491.db2.gz	MGWPFDINNFUSCI-NSHDSACASA-N	-1	0	299.348	1.241	40	0		CDABRM
Cc1cccc(C)c1N1C(=O)C[C@H](SCC(=O)[O-])C1=O	ZINC000016899691	301970866	/nfs/dbraw/zinc/97/08/66/301970866.db2.gz	AEXKNUJYAJQNNR-JTQLQIEISA-N	-1	0	293.344	1.753	40	0		CDABRM
CC1=NC(=O)C(Cc2ccc(C(=O)[O-])o2)C(=O)N1	ZINC000012653878	302612707	/nfs/dbraw/zinc/61/27/07/302612707.db2.gz	NGKIWQYASAVSFD-UHFFFAOYSA-N	-1	0	250.210	1.078	40	0		CDABRM
C/C(CO)=C1/CC[C@@]23CO[C@@H](C2)[C@@](O)(C(=O)[O-])CC[C@H]13	ZINC000253375788	518476231	/nfs/dbraw/zinc/47/62/31/518476231.db2.gz	QYINOGPWFQBOJX-GLLHKURVSA-N	-1	0	282.336	1.090	40	0	biogenic,in-vitro	CDABRM
Cc1ccccc1C[C@H]1SC[C@H](C(=O)[O-])NC1=O	ZINC000062712038	525200333	/nfs/dbraw/zinc/20/03/33/525200333.db2.gz	WHABKYFHFFJAEK-GHMZBOCLSA-N	-1	0	265.334	1.222	40	0		CDABRM
CCc1ccc([C@H]2[C@@H](S(C)(=O)=O)[C@@H]2C(=O)[O-])cc1	ZINC000218368721	536195036	/nfs/dbraw/zinc/19/50/36/536195036.db2.gz	MJYNCRFVIOEMOU-IJLUTSLNSA-N	-1	0	268.334	1.460	40	0		CDABRM
CN1C(=O)CO[C@@H](C(=O)[O-])[C@@H]1c1ccc(Cl)cc1	ZINC000070274380	1171656613	/nfs/dbraw/zinc/65/66/13/1171656613.db2.gz	CHLQKLCCRRCNGW-WDEREUQCSA-N	-1	0	269.684	1.323	40	0		CDABRM
O=C([O-])C1CCN(C(=O)C2[C@@H]3CCCC[C@H]23)CC1	ZINC000096479452	230380007	/nfs/dbraw/zinc/38/00/07/230380007.db2.gz	OJSZVEDVWXZBAN-FOSCPWQOSA-N	-1	0	251.326	1.746	40	0		CDABRM
CC[C@H](NC(=O)c1c([O-])cc(F)cc1F)c1nnc(C)[nH]1	ZINC000081737845	362213004	/nfs/dbraw/zinc/21/30/04/362213004.db2.gz	WBZKHNQNNSWRSE-VIFPVBQESA-N	-1	0	296.277	1.978	40	0		CDABRM
COc1cc([C@H]2OC(=O)C[C@@H]2C(=O)[O-])cc(OC)c1OC	ZINC000085394913	179049204	/nfs/dbraw/zinc/04/92/04/179049204.db2.gz	HNYDFNDVZVSIKI-QPUJVOFHSA-N	-1	0	296.275	1.401	40	0		CDABRM
CCC1(S(=O)(=O)[N-]C(=O)[C@@H]2CCC[C@@H](OC)C2)CC1	ZINC000408502069	282528483	/nfs/dbraw/zinc/52/84/83/282528483.db2.gz	YYJPCMCAWSYCCX-GHMZBOCLSA-N	-1	0	289.397	1.580	40	0		CDABRM
COC(=O)C=C(Nc1ccccc1C(=O)[O-])C(=O)OC	ZINC000100388056	290850125	/nfs/dbraw/zinc/85/01/25/290850125.db2.gz	BOEXTIYAFRLSPZ-JXMROGBWSA-N	-1	0	279.248	1.027	40	0		CDABRM
CC(C)(O[P@@H](=O)[O-])C(=O)OCc1ccccc1	ZINC000116494556	351096064	/nfs/dbraw/zinc/09/60/64/351096064.db2.gz	HMAQQIRFNDTPLB-UHFFFAOYSA-N	-1	0	258.210	1.907	40	0		CDABRM
CCOC(=O)c1[nH]c(CC(=O)[O-])c(C(=O)OCC)c1C	ZINC000001593374	355941127	/nfs/dbraw/zinc/94/11/27/355941127.db2.gz	UAEBYKFYSRQSQX-UHFFFAOYSA-N	-1	0	283.280	1.304	40	0		CDABRM
NC(=O)SCC(=O)Nc1ccc(CC(=O)[O-])cc1	ZINC000001667095	355944886	/nfs/dbraw/zinc/94/48/86/355944886.db2.gz	URDSUSQMKXUXTD-UHFFFAOYSA-N	-1	0	268.294	1.064	40	0		CDABRM
COc1cc(Cl)c(CC(=O)C(=O)[O-])cc1OC	ZINC000001870677	355953461	/nfs/dbraw/zinc/95/34/61/355953461.db2.gz	GUOWAVAGNAIJQD-UHFFFAOYSA-N	-1	0	258.657	1.553	40	0		CDABRM
CC(C)NC(=O)COc1ccc(C(=O)[O-])cc1Cl	ZINC000013034327	356336126	/nfs/dbraw/zinc/33/61/26/356336126.db2.gz	OUTVWHYCCWBGRY-UHFFFAOYSA-N	-1	0	271.700	1.942	40	0		CDABRM
O=C([O-])c1ccc2c(c1)[nH]c(=O)n(Cc1ccco1)c2=O	ZINC000070460570	356895523	/nfs/dbraw/zinc/89/55/23/356895523.db2.gz	FKLHMLMKUFMIEU-UHFFFAOYSA-N	-1	0	286.243	1.029	40	0		CDABRM
Nc1c(O)cc(I)cc1C(=O)[O-]	ZINC000148051287	356972586	/nfs/dbraw/zinc/97/25/86/356972586.db2.gz	NGWSBZUPJSJILW-UHFFFAOYSA-N	-1	0	279.033	1.277	40	0		CDABRM
CCSc1ncc(C(=O)[O-])c(N2CCCC2)n1	ZINC000049469064	357217677	/nfs/dbraw/zinc/21/76/77/357217677.db2.gz	YNGNIVVWHVNMNG-UHFFFAOYSA-N	-1	0	253.327	1.887	40	0		CDABRM
Cc1ccccc1OCc1ncc(CCC(=O)[O-])c(=O)[nH]1	ZINC000223442615	359426663	/nfs/dbraw/zinc/42/66/63/359426663.db2.gz	KFPPVURCCQLKGF-UHFFFAOYSA-N	-1	0	288.303	1.675	40	0		CDABRM
Cc1ncoc1C(=O)NCCc1nc(C(=O)[O-])cs1	ZINC000159386241	359482311	/nfs/dbraw/zinc/48/23/11/359482311.db2.gz	KAMHVVOVJBRIFO-UHFFFAOYSA-N	-1	0	281.293	1.110	40	0		CDABRM
COC(C)(C)C(=O)Nc1cc(C(=O)[O-])ccc1F	ZINC000225472265	359592911	/nfs/dbraw/zinc/59/29/11/359592911.db2.gz	PCYJHOWIUXASSZ-UHFFFAOYSA-N	-1	0	255.245	1.887	40	0		CDABRM
CN1C(=S)S[C@H](Cc2ccccc2C(=O)[O-])[C@H]1O	ZINC000225392450	360579765	/nfs/dbraw/zinc/57/97/65/360579765.db2.gz	ILEONQHFMCXRTP-NXEZZACHSA-N	-1	0	283.374	1.578	40	0		CDABRM
O=C([O-])CNC(=O)c1cccc(Br)c1Cl	ZINC000160385208	364956297	/nfs/dbraw/zinc/95/62/97/364956297.db2.gz	OZTUXFZYAYLFSO-UHFFFAOYSA-N	-1	0	292.516	1.917	40	0		CDABRM
CO[C@H]1C(=O)N(c2ccc(Cl)cc2)[C@@H]1C(=O)[O-]	ZINC000218277936	365260954	/nfs/dbraw/zinc/26/09/54/365260954.db2.gz	PTXDKQFQKITKRH-DTWKUNHWSA-N	-1	0	255.657	1.155	40	0		CDABRM
O=C([O-])c1cn(-c2ccc(Cl)cc2)ncc1=O	ZINC000226073452	189769151	/nfs/dbraw/zinc/76/91/51/189769151.db2.gz	RKSYMRSXGXEBLB-UHFFFAOYSA-N	-1	0	250.641	1.584	40	0		CDABRM
CN(C(=O)c1c([O-])cccc1F)[C@H]1CCCCNC1=O	ZINC000225395245	374284094	/nfs/dbraw/zinc/28/40/94/374284094.db2.gz	IODOBUQIFOSADR-JTQLQIEISA-N	-1	0	280.299	1.272	40	0		CDABRM
CN(Cc1nnn[n-]1)C(=O)CC(C)(C)c1ccccc1	ZINC000078914740	374739818	/nfs/dbraw/zinc/73/98/18/374739818.db2.gz	SCSDXLPSHIDYQC-UHFFFAOYSA-N	-1	0	273.340	1.526	40	0		CDABRM
CNc1cc([C@H]2CCCN2C(=O)CCC(=O)[O-])nc(C)n1	ZINC000257206809	190011493	/nfs/dbraw/zinc/01/14/93/190011493.db2.gz	BEYRKXPEZXZJKL-LLVKDONJSA-N	-1	0	292.339	1.355	40	0		CDABRM
COc1cc(OC)c2c(=O)cc(CCC(=O)[O-])oc2c1	ZINC000031168280	375754098	/nfs/dbraw/zinc/75/40/98/375754098.db2.gz	AKJIPZYHXYQVJT-UHFFFAOYSA-N	-1	0	278.260	1.827	40	0	biogenic,in-vitro	CDABRM
CS(=O)(=O)[C@@H]1[C@@H](c2ccc(Cl)cc2)[C@H]1C(=O)[O-]	ZINC000218354562	375817858	/nfs/dbraw/zinc/81/78/58/375817858.db2.gz	NPOQREJGMUQCHA-IVZWLZJFSA-N	-1	0	274.725	1.551	40	0		CDABRM
O=C([O-])c1ccc(N2CC[C@@H](N3CCOCC3)C2)s1	ZINC000079052331	304247081	/nfs/dbraw/zinc/24/70/81/304247081.db2.gz	IAEMKPZEZKTRTJ-SNVBAGLBSA-N	-1	0	282.365	1.357	40	0		CDABRM
O=C([O-])Cn1cc(COc2ccc(Cl)cc2)nn1	ZINC000072220833	390622143	/nfs/dbraw/zinc/62/21/43/390622143.db2.gz	IIICKLITWMCIMV-UHFFFAOYSA-N	-1	0	267.672	1.595	40	0		CDABRM
COc1ccc(/C=C/C(=O)NCCC(=O)[O-])c(OC)c1	ZINC000062714789	391022027	/nfs/dbraw/zinc/02/20/27/391022027.db2.gz	GCJJXFAYFHOMKC-GQCTYLIASA-N	-1	0	279.292	1.308	40	0		CDABRM
C[C@@H]([NH2+]Cc1cc(Cl)ccc1OCC(=O)[O-])C(=O)[O-]	ZINC000062717151	391060307	/nfs/dbraw/zinc/06/03/07/391060307.db2.gz	XPUCMMZPSOQMQU-SSDOTTSWSA-N	-1	0	287.699	1.366	40	0		CDABRM
O=C([O-])c1nnn(-c2ccccc2)c1C(F)(F)F	ZINC000045891920	304285304	/nfs/dbraw/zinc/28/53/04/304285304.db2.gz	IAMLWIIYRLEEKN-UHFFFAOYSA-N	-1	0	257.171	1.984	40	0		CDABRM
CS(=O)(=O)[C@@H]1[C@@H](C(=O)[O-])[C@H]1c1cccc(Cl)c1	ZINC000242574972	391196957	/nfs/dbraw/zinc/19/69/57/391196957.db2.gz	NMSBOUCCONIQTC-UTLUCORTSA-N	-1	0	274.725	1.551	40	0		CDABRM
CO[C@H]1C(=O)N(c2ccccc2Cl)[C@@H]1C(=O)[O-]	ZINC000218277423	130767530	/nfs/dbraw/zinc/76/75/30/130767530.db2.gz	QNPDVSURVNJOPI-DTWKUNHWSA-N	-1	0	255.657	1.155	40	0		CDABRM
CC(C)[C@H]([NH2+]Cc1cccc(OCC(=O)[O-])c1)C(=O)[O-]	ZINC000062717099	392803797	/nfs/dbraw/zinc/80/37/97/392803797.db2.gz	YQISOYGXVWDLIF-ZDUSSCGKSA-N	-1	0	281.308	1.349	40	0		CDABRM
O=c1[n-]cnc(Cl)c1I	ZINC000074942561	296594846	/nfs/dbraw/zinc/59/48/46/296594846.db2.gz	FVUCFWQMHIUOHD-UHFFFAOYSA-N	-1	0	256.430	1.440	40	0		CDABRM
CSc1ccc(/C=C2/NC(=O)N(CC(=O)[O-])C2=O)cc1	ZINC000005018767	170056321	/nfs/dbraw/zinc/05/63/21/170056321.db2.gz	CLCSWPBEPWKCGE-UXBLZVDNSA-N	-1	0	292.316	1.386	40	0		CDABRM
CSc1ccc([C@@H]2N[C@@H](C(=O)[O-])Cc3[nH]cnc32)cc1	ZINC000005817984	170143523	/nfs/dbraw/zinc/14/35/23/170143523.db2.gz	TXRSYOLHAWNWCC-NEPJUHHUSA-N	-1	0	289.360	1.820	40	0		CDABRM
COCC(=O)Nc1ccccc1S[C@@H](C)C(=O)[O-]	ZINC000008732942	170351584	/nfs/dbraw/zinc/35/15/84/170351584.db2.gz	AEASJJPAKHBMQW-QMMMGPOBSA-N	-1	0	269.322	1.837	40	0		CDABRM
COc1ccc(OC)c(CN2C(=O)CC[C@@H]2C(=O)[O-])c1	ZINC000011727244	170433634	/nfs/dbraw/zinc/43/36/34/170433634.db2.gz	IABWRLOCUWCRCK-LLVKDONJSA-N	-1	0	279.292	1.279	40	0		CDABRM
CC[C@@H](C(=O)[O-])N(C)C(=O)Cc1csc(C)n1	ZINC000044615573	175218189	/nfs/dbraw/zinc/21/81/89/175218189.db2.gz	XHOTWLHJTJOIER-VIFPVBQESA-N	-1	0	256.327	1.316	40	0		CDABRM
Cc1cccc(NC(=O)Cc2noc(CCC(=O)[O-])n2)c1	ZINC000078400990	177337840	/nfs/dbraw/zinc/33/78/40/177337840.db2.gz	IGFBVJAIWKVGLJ-UHFFFAOYSA-N	-1	0	289.291	1.576	40	0		CDABRM
CC[C@H](C)N(CC(=O)[O-])C(=O)c1noc2c1CCCC2	ZINC000225495395	287583542	/nfs/dbraw/zinc/58/35/42/287583542.db2.gz	PZFXGJTVZMJXTP-VIFPVBQESA-N	-1	0	280.324	1.879	40	0		CDABRM
O=C([O-])[C@H](Cc1ccncc1)NC(=O)CC1CCOCC1	ZINC000655599143	424154215	/nfs/dbraw/zinc/15/42/15/424154215.db2.gz	KOTZYYQEHZZDDX-ZDUSSCGKSA-N	-1	0	292.335	1.010	40	0		CDABRM
CC[C@H]1CCCCN1C(=O)[C@@H]1[C@@H](C(=O)[O-])[C@H]2CC[C@@H]1O2	ZINC000017008602	288193729	/nfs/dbraw/zinc/19/37/29/288193729.db2.gz	FTIPGQBYOQOVSG-WJTVCTBASA-N	-1	0	281.352	1.656	40	0		CDABRM
CS(=O)(=O)c1ccc(-c2conc2C(=O)[O-])cc1	ZINC000064864572	295555603	/nfs/dbraw/zinc/55/56/03/295555603.db2.gz	OWZAZKYJXYYTOV-UHFFFAOYSA-N	-1	0	267.262	1.443	40	0		CDABRM
N=c1[n-]nc(-c2cc3n(n2)[C@H](C(F)(F)F)CCN3)s1	ZINC000408717472	303233689	/nfs/dbraw/zinc/23/36/89/303233689.db2.gz	BOXWKTXKPNAZIQ-YFKPBYRVSA-N	-1	0	290.274	1.733	40	0		CDABRM
Nc1nn(-c2ccc(Br)cc2)nc1C(=O)[O-]	ZINC000089263449	303506544	/nfs/dbraw/zinc/50/65/44/303506544.db2.gz	DBNWPTGTIAFVSG-UHFFFAOYSA-N	-1	0	283.085	1.310	40	0		CDABRM
O=C([O-])NC[C@@H](O)c1ccccc1Br	ZINC000521825116	333210649	/nfs/dbraw/zinc/21/06/49/333210649.db2.gz	KZKBNXIZTYJYKH-MRVPVSSYSA-N	-1	0	260.087	1.750	40	0		CDABRM
COC(=O)[N-]S(=O)(=O)c1ccc(Br)cc1	ZINC000231534433	482990696	/nfs/dbraw/zinc/99/06/96/482990696.db2.gz	ZADVPRIQZLGRGP-UHFFFAOYSA-N	-1	0	294.126	1.494	40	0		CDABRM
CCOc1ccc([C@@H]2[C@@H](C(=O)[O-])CC(=O)N2C)cc1	ZINC000062702226	521247510	/nfs/dbraw/zinc/24/75/10/521247510.db2.gz	BXCYRQZYCQGEEB-WCQYABFASA-N	-1	0	263.293	1.689	40	0		CDABRM
O=C([O-])[C@@H]1CS[C@@H](Cc2ccc(F)c(F)c2)C(=O)N1	ZINC000062712324	526288689	/nfs/dbraw/zinc/28/86/89/526288689.db2.gz	LQKHGTVMZZNSIK-UWVGGRQHSA-N	-1	0	287.287	1.192	40	0		CDABRM
O=C([O-])CN(C(=O)[C@H]1CC1(Cl)Cl)C1CCOCC1	ZINC000238104513	600957202	/nfs/dbraw/zinc/95/72/02/600957202.db2.gz	JEGYMTSVKPRLQF-MRVPVSSYSA-N	-1	0	296.150	1.272	40	0		CDABRM
CCc1[nH]ccc1C(=O)N[C@]1(CC(=O)[O-])CCCOC1	ZINC000909693581	628643635	/nfs/dbraw/zinc/64/36/35/628643635.db2.gz	RFEGVXKYLVXRLX-AWEZNQCLSA-N	-1	0	280.324	1.331	40	0		CDABRM
CC(C)(C)OC(=O)N1CC/C(=C\C(=O)[O-])[C@@H](F)C1	ZINC000584905808	342139759	/nfs/dbraw/zinc/13/97/59/342139759.db2.gz	BWDJUXZJRYQAES-ORZBULNSSA-N	-1	0	259.277	1.976	40	0		CDABRM
C[C@@H]1CC[C@H](C(=O)[O-])[C@@H](C)N1Cc1nnn(C(C)(C)C)n1	ZINC000685938889	539043241	/nfs/dbraw/zinc/04/32/41/539043241.db2.gz	YNTUUSUQYSZUJC-MXWKQRLJSA-N	-1	0	295.387	1.502	40	0		CDABRM
CCOc1ccc([C@@H]2OC(=O)C[C@H]2C(=O)[O-])cc1	ZINC000085394637	179049049	/nfs/dbraw/zinc/04/90/49/179049049.db2.gz	VOUCGEWFTYYPNM-PWSUYJOCSA-N	-1	0	250.250	1.774	40	0		CDABRM
Cc1nn(-c2ccc3c(c2)OCCO3)c(C)c1CC(=O)[O-]	ZINC000085398087	179050302	/nfs/dbraw/zinc/05/03/02/179050302.db2.gz	UBIQXBWELZPXSG-UHFFFAOYSA-N	-1	0	288.303	1.887	40	0		CDABRM
CC(C)(O)CN(C(=O)c1c([O-])cccc1F)C1CC1	ZINC000275160814	365945665	/nfs/dbraw/zinc/94/56/65/365945665.db2.gz	XYYCMGAPSZBYDX-UHFFFAOYSA-N	-1	0	267.300	1.907	40	0		CDABRM
C[C@@H](C(=O)[O-])n1nnc(-c2ccccc2Cl)n1	ZINC000164828978	348743423	/nfs/dbraw/zinc/74/34/23/348743423.db2.gz	GGZRPKFIESISAW-LURJTMIESA-N	-1	0	252.661	1.639	40	0		CDABRM
CCCC[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)[O-]	ZINC000002701246	358498216	/nfs/dbraw/zinc/49/82/16/358498216.db2.gz	MUUBLAGHAQPZCI-SNVBAGLBSA-N	-1	0	289.328	1.747	40	0		CDABRM
COc1ccc(Br)cc1/C=C1\NC(=O)[N-]C1=O	ZINC000005360892	356052539	/nfs/dbraw/zinc/05/25/39/356052539.db2.gz	XSBWWJSWDPSSRP-YVMONPNESA-N	-1	0	297.108	1.638	40	0		CDABRM
COC(=O)C1=C([O-])c2c(OC)ccc(OC)c2CC1	ZINC000006404094	356074128	/nfs/dbraw/zinc/07/41/28/356074128.db2.gz	HFQHUHXPGVUQIB-VIFPVBQESA-N	-1	0	264.277	1.622	40	0		CDABRM
O=C([O-])CCCn1cnc2sc3c(c2c1=O)CCC3	ZINC000008391947	304051806	/nfs/dbraw/zinc/05/18/06/304051806.db2.gz	CRPWBVXEFJUSBD-UHFFFAOYSA-N	-1	0	278.333	1.812	40	0		CDABRM
Cc1nn(CC(=O)[O-])c(=O)c2cc3sccc3n21	ZINC000012115222	356288115	/nfs/dbraw/zinc/28/81/15/356288115.db2.gz	LSGJRXOQHVQOLR-UHFFFAOYSA-N	-1	0	263.278	1.104	40	0		CDABRM
CCSCC[C@@H](Nc1ncnc2nc[nH]c21)C(=O)[O-]	ZINC000017299780	356457914	/nfs/dbraw/zinc/45/79/14/356457914.db2.gz	NDSHFPKXDZUGAP-SSDOTTSWSA-N	-1	0	281.341	1.361	40	0		CDABRM
C[C@@H](C(=O)N1CCC(CC(=O)[O-])CC1)n1ccnc1	ZINC000019746067	356499303	/nfs/dbraw/zinc/49/93/03/356499303.db2.gz	HXBQAVQLKQVXQJ-JTQLQIEISA-N	-1	0	265.313	1.157	40	0		CDABRM
C[C@@]1(C(=O)[O-])CSC(c2ccc(O)cc2O)=N1	ZINC000034279612	356811675	/nfs/dbraw/zinc/81/16/75/356811675.db2.gz	OEUUFNIKLCFNLN-NSHDSACASA-N	-1	0	253.279	1.435	40	0		CDABRM
CC1(C)[C@@H]2CC[C@@]1(C)C(=O)N(CCC(=O)[O-])C2=O	ZINC000003111346	358514577	/nfs/dbraw/zinc/51/45/77/358514577.db2.gz	ICQJEIKVPLFPAA-OQPBUACISA-N	-1	0	253.298	1.272	40	0		CDABRM
Cc1noc(C)c1CC(=O)N1CC[C@@](C)(C(=O)[O-])C1	ZINC000062914003	358635719	/nfs/dbraw/zinc/63/57/19/358635719.db2.gz	SEAYIAGWVRLBNR-CYBMUJFWSA-N	-1	0	266.297	1.157	40	0		CDABRM
CC(C)[C@@H](N[C@@H]1CC(c2ccco2)=NN1)C(=O)[O-]	ZINC000005633427	358720475	/nfs/dbraw/zinc/72/04/75/358720475.db2.gz	ICFOLRWGJBTDQK-WDEREUQCSA-N	-1	0	251.286	1.002	40	0		CDABRM
CCCSc1nnc([N-]S(C)(=O)=O)s1	ZINC000222711031	359367394	/nfs/dbraw/zinc/36/73/94/359367394.db2.gz	NUQPURHHOXKPBQ-UHFFFAOYSA-N	-1	0	253.374	1.412	40	0		CDABRM
O=C([O-])Cn1ncc2c3ccc(Cl)cc3[nH]c2c1=O	ZINC000408712430	304091453	/nfs/dbraw/zinc/09/14/53/304091453.db2.gz	BLJDKJVIYLDSRW-UHFFFAOYSA-N	-1	0	277.667	1.616	40	0		CDABRM
C[C@H](CNC(=O)c1cccc(Br)c1)C(=O)[O-]	ZINC000054309585	360452214	/nfs/dbraw/zinc/45/22/14/360452214.db2.gz	KTOHHULFELNMRI-SSDOTTSWSA-N	-1	0	286.125	1.900	40	0		CDABRM
Cc1ccc(S(=O)(=O)[N-]c2nc(C)cc(NN)n2)cc1	ZINC000000270459	361656286	/nfs/dbraw/zinc/65/62/86/361656286.db2.gz	DYHHNDZNQXGJSI-UHFFFAOYSA-N	-1	0	293.352	1.180	40	0		CDABRM
Cc1cccc(C(=O)NCC2(C(=O)[O-])CCOCC2)c1C	ZINC000165923438	364333992	/nfs/dbraw/zinc/33/39/92/364333992.db2.gz	NOJPVRWRCWPLJS-UHFFFAOYSA-N	-1	0	291.347	1.915	40	0		CDABRM
CS(=O)(=O)c1ccc(OCC(=O)[O-])c(Cl)c1	ZINC000218304313	365420537	/nfs/dbraw/zinc/42/05/37/365420537.db2.gz	RJKFVSWBBGBWPO-UHFFFAOYSA-N	-1	0	264.686	1.207	40	0		CDABRM
CCCCCOC1CN(C(=O)N=c2[n-]nc(C)s2)C1	ZINC000331774537	204146408	/nfs/dbraw/zinc/14/64/08/204146408.db2.gz	MJVHJCSAXDXIAT-UHFFFAOYSA-N	-1	0	284.385	1.691	40	0		CDABRM
Cc1cccc(CC(=O)N2CCC[C@@H](C(=O)[O-])C2)c1	ZINC000049475265	373236451	/nfs/dbraw/zinc/23/64/51/373236451.db2.gz	JBMYXCLSTWGEMQ-CYBMUJFWSA-N	-1	0	261.321	1.861	40	0		CDABRM
CC(C)C[C@@]1(C)CC(=O)N(CCCC(=O)[O-])C1=O	ZINC000064876054	374240261	/nfs/dbraw/zinc/24/02/61/374240261.db2.gz	RTTIMNTUVAJGGV-ZDUSSCGKSA-N	-1	0	255.314	1.663	40	0		CDABRM
Cc1cc(C(=O)N(C[C@@H](C)C(=O)[O-])C2CC2)no1	ZINC000225484770	374496167	/nfs/dbraw/zinc/49/61/67/374496167.db2.gz	YFMAPSCNQATKLC-SSDOTTSWSA-N	-1	0	252.270	1.308	40	0		CDABRM
Cc1nccc([C@@H]2CCCN2C(=O)CCC(=O)[O-])n1	ZINC000257269045	190024033	/nfs/dbraw/zinc/02/40/33/190024033.db2.gz	MOILXBBMHCRXCP-NSHDSACASA-N	-1	0	263.297	1.313	40	0		CDABRM
Cc1ccc([C@H]2[C@H](C(=O)[O-])[C@@H]2S(C)(=O)=O)cc1	ZINC000218337820	375816275	/nfs/dbraw/zinc/81/62/75/375816275.db2.gz	SKRNMGRKTHUUCP-GARJFASQSA-N	-1	0	254.307	1.206	40	0		CDABRM
O=Cc1ccc2c(c1)C[C@@H](CSCC(=O)[O-])O2	ZINC000218744050	375831531	/nfs/dbraw/zinc/83/15/31/375831531.db2.gz	KOBWEVCTFBDNCV-JTQLQIEISA-N	-1	0	252.291	1.620	40	0		CDABRM
O=C([O-])[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)N1CCCCCC1	ZINC000135977769	304209794	/nfs/dbraw/zinc/20/97/94/304209794.db2.gz	BCXDAYVGRBLLJD-RNJOBUHISA-N	-1	0	263.337	1.912	40	0		CDABRM
COc1ccc2[nH]cc(C[C@@H](NC(C)=O)C(=O)[O-])c2c1	ZINC000001580371	390138988	/nfs/dbraw/zinc/13/89/88/390138988.db2.gz	IJODSTPSSWJSBC-CYBMUJFWSA-N	-1	0	276.292	1.308	40	0		CDABRM
COc1cc(C(=O)[O-])cc(I)c1O	ZINC000002558121	390143190	/nfs/dbraw/zinc/14/31/90/390143190.db2.gz	HAOSLIWMPLNZEB-UHFFFAOYSA-N	-1	0	294.044	1.704	40	0		CDABRM
Cc1nc(C2CC2)nc(N2CC[C@@H](C(=O)[O-])C2)c1C	ZINC000096516984	390532083	/nfs/dbraw/zinc/53/20/83/390532083.db2.gz	ZJORLYCBNFEYHL-LLVKDONJSA-N	-1	0	261.325	1.882	40	0		CDABRM
Cc1noc(-c2cnc(C)nc2-n2ccc(C(=O)[O-])n2)n1	ZINC000096517424	390532934	/nfs/dbraw/zinc/53/29/34/390532934.db2.gz	GWEFFUJMJAZSHY-UHFFFAOYSA-N	-1	0	286.251	1.027	40	0		CDABRM
Cc1nc2ccccc2c(N2CC[C@H](C(=O)[O-])C2)n1	ZINC000096516012	390533209	/nfs/dbraw/zinc/53/32/09/390533209.db2.gz	UQPGOWIPDHBOSM-JTQLQIEISA-N	-1	0	257.293	1.849	40	0		CDABRM
CCN(CC)c1nc2ccccc2n(CC(=O)[O-])c1=O	ZINC000096516229	390533762	/nfs/dbraw/zinc/53/37/62/390533762.db2.gz	BBFOWGVFVMZTBP-UHFFFAOYSA-N	-1	0	275.308	1.327	40	0		CDABRM
O=C([O-])[C@@H]1CN[C@@H](c2cc3c(cc2Cl)OCO3)S1	ZINC000408976484	390971220	/nfs/dbraw/zinc/97/12/20/390971220.db2.gz	FSXLKURSWFYHNN-VHSXEESVSA-N	-1	0	287.724	1.857	40	0		CDABRM
O=C([O-])C1(S(=O)(=O)c2cccs2)CCOCC1	ZINC000217932140	130764716	/nfs/dbraw/zinc/76/47/16/130764716.db2.gz	UVUDXILXSIOUCC-UHFFFAOYSA-N	-1	0	276.335	1.156	40	0		CDABRM
C[C@H](C(=O)[O-])n1nc2cccc(Br)c2n1	ZINC000218252585	130768053	/nfs/dbraw/zinc/76/80/53/130768053.db2.gz	KVOSRQIYDGLYNE-RXMQYKEDSA-N	-1	0	270.086	1.839	40	0		CDABRM
CC(=O)c1c(=O)oc2ccccc2c1NCC(=O)[O-]	ZINC000062716627	392802518	/nfs/dbraw/zinc/80/25/18/392802518.db2.gz	PUDTVCIJENIFIZ-UHFFFAOYSA-N	-1	0	261.233	1.492	40	0		CDABRM
Cc1noc(C)c1C(=O)N[C@H](C(=O)[O-])c1ccsc1	ZINC000522015700	393147387	/nfs/dbraw/zinc/14/73/87/393147387.db2.gz	ZUEDHHQJCIFFIK-JTQLQIEISA-N	-1	0	280.305	1.909	40	0		CDABRM
O=C([O-])CN1C(=O)N/C(=C/c2ccccc2Cl)C1=O	ZINC000004998001	170052337	/nfs/dbraw/zinc/05/23/37/170052337.db2.gz	UVWKZLBFIVODQX-WEVVVXLNSA-N	-1	0	280.667	1.317	40	0		CDABRM
Cc1nn([C@H](C)C(=O)[O-])c(=O)c2cc3sccc3n21	ZINC000005135046	170069773	/nfs/dbraw/zinc/06/97/73/170069773.db2.gz	HXYGUSXENSIFHP-ZCFIWIBFSA-N	-1	0	277.305	1.665	40	0		CDABRM
CC(C)(C)Nc1nc(=O)c(Cc2ccccc2)n[n-]1	ZINC000005154554	170071076	/nfs/dbraw/zinc/07/10/76/170071076.db2.gz	CUYQNUPRHZWLLV-UHFFFAOYSA-N	-1	0	258.325	1.966	40	0		CDABRM
Cc1ccc(C)n1N(CC(=O)[O-])C(=O)c1cccnc1	ZINC000008729218	170350344	/nfs/dbraw/zinc/35/03/44/170350344.db2.gz	RVFFDOLAIAASGN-UHFFFAOYSA-N	-1	0	273.292	1.363	40	0		CDABRM
CCCCCn1c(=O)c(CC(=O)[O-])c[nH]c1=S	ZINC000020156354	171039176	/nfs/dbraw/zinc/03/91/76/171039176.db2.gz	PJNPEHHTAAMZJP-UHFFFAOYSA-N	-1	0	256.327	1.723	40	0		CDABRM
CCCNS(=O)(=O)c1ccc(C)c(C(=O)[O-])c1	ZINC000021949141	171338863	/nfs/dbraw/zinc/33/88/63/171338863.db2.gz	IIDQMALXDCUREA-UHFFFAOYSA-N	-1	0	257.311	1.382	40	0		CDABRM
CC(C)c1ccc(O)c(N2C[C@H](C(=O)[O-])CC2=O)c1	ZINC000045953721	175389047	/nfs/dbraw/zinc/38/90/47/175389047.db2.gz	NWRJHKUKSDBKHN-SNVBAGLBSA-N	-1	0	263.293	1.953	40	0		CDABRM
CO[N-]C(=O)Cc1csc(Nc2cc(C)ccn2)n1	ZINC000049029651	175459714	/nfs/dbraw/zinc/45/97/14/175459714.db2.gz	BPGHDXGDIDVVIC-UHFFFAOYSA-N	-1	0	278.337	1.810	40	0		CDABRM
CC(C)(C)OC(=O)[C@@H](C(=O)[O-])c1ccc(N)cc1	ZINC000071186790	176060369	/nfs/dbraw/zinc/06/03/69/176060369.db2.gz	DBJSSLLPAQXMFN-SNVBAGLBSA-N	-1	0	251.282	1.779	40	0		CDABRM
Cc1nonc1Cn1cc(C(=O)[O-])c(=O)c2ccccc21	ZINC000071196937	176076516	/nfs/dbraw/zinc/07/65/16/176076516.db2.gz	WOJTYVPMUKVSCL-UHFFFAOYSA-N	-1	0	285.259	1.439	40	0		CDABRM
CC[C@H](C)N(CC(=O)[O-])S(=O)(=O)c1cnc(C)s1	ZINC000218180603	287585918	/nfs/dbraw/zinc/58/59/18/287585918.db2.gz	GWXRJODGQSTJNZ-ZETCQYMHSA-N	-1	0	292.382	1.325	40	0		CDABRM
CC(C)(C)Nc1ccc(C(=O)[O-])cc1S(N)(=O)=O	ZINC000217402864	278370769	/nfs/dbraw/zinc/37/07/69/278370769.db2.gz	OVCSYEZYUTWXOR-UHFFFAOYSA-N	-1	0	272.326	1.243	40	0		CDABRM
CC(C)(C)OC(=O)N1CC2(COC2)[C@](F)(C(=O)[O-])C1	ZINC000238855835	278380705	/nfs/dbraw/zinc/38/07/05/278380705.db2.gz	SXHOZQXPJZPADE-GFCCVEGCSA-N	-1	0	275.276	1.047	40	0		CDABRM
Cc1ccc(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])nc1	ZINC000003893945	301644166	/nfs/dbraw/zinc/64/41/66/301644166.db2.gz	POQFWZQVJCRNQJ-URBCHYCLSA-N	-1	0	272.304	1.851	40	0		CDABRM
Cn1nccc1-c1ccnc2c1c(C(=O)[O-])nn2C	ZINC000072339583	303062864	/nfs/dbraw/zinc/06/28/64/303062864.db2.gz	ACWRUSOEOYIBKB-UHFFFAOYSA-N	-1	0	257.253	1.067	40	0		CDABRM
CCCCc1nc(CN2CCCC[C@H]2C(=O)[O-])no1	ZINC000158418904	323213001	/nfs/dbraw/zinc/21/30/01/323213001.db2.gz	HEURCSXXYNUTFY-JTQLQIEISA-N	-1	0	267.329	1.851	40	0		CDABRM
Cc1ccc(C[C@H]2SC[C@@H](C(=O)[O-])NC2=O)cc1	ZINC000062712044	524686972	/nfs/dbraw/zinc/68/69/72/524686972.db2.gz	NKEIPURKFXEWBL-WDEREUQCSA-N	-1	0	265.334	1.222	40	0		CDABRM
CC[C@@H](C)NC(=O)c1c([O-])c2ccccc2n(C)c1=O	ZINC000005907254	1164616700	/nfs/dbraw/zinc/61/67/00/1164616700.db2.gz	APYVYMOGYBIEQU-SECBINFHSA-N	-1	0	274.320	1.772	40	0		CDABRM
CCCCC(=O)NNC(=O)CC[C@H](CC)C(=O)[O-]	ZINC000026808056	1165705082	/nfs/dbraw/zinc/70/50/82/1165705082.db2.gz	ITLLMYSJYIHBFL-VIFPVBQESA-N	-1	0	258.318	1.215	40	0		CDABRM
CCOc1ccccc1[C@H]1OC(=O)C[C@@H]1C(=O)[O-]	ZINC000085394558	179049098	/nfs/dbraw/zinc/04/90/98/179049098.db2.gz	FFVOOPRAODNBTF-JOYOIKCWSA-N	-1	0	250.250	1.774	40	0		CDABRM
O=C([O-])[C@H]1CN(C(=O)OCc2ccccc2)CCC1=O	ZINC000090693657	180026401	/nfs/dbraw/zinc/02/64/01/180026401.db2.gz	QGBXHUMXBHMBKL-NSHDSACASA-N	-1	0	277.276	1.299	40	0		CDABRM
Cc1ccccc1-n1nc(C(=O)[O-])c(N2CCOCC2)n1	ZINC000256046529	350908234	/nfs/dbraw/zinc/90/82/34/350908234.db2.gz	GLCMMXUIENNFGD-UHFFFAOYSA-N	-1	0	288.307	1.111	40	0		CDABRM
CCN(CC)c1nn(-c2ccc(F)cc2)nc1C(=O)[O-]	ZINC000256049141	350908880	/nfs/dbraw/zinc/90/88/80/350908880.db2.gz	YJWMNRPLGVFCOX-UHFFFAOYSA-N	-1	0	278.287	1.951	40	0		CDABRM
CC(=O)N[C@@H](C(=O)[O-])[C@H](C)SCc1ccccc1	ZINC000001868661	355953544	/nfs/dbraw/zinc/95/35/44/355953544.db2.gz	XXPFZRAVDWYRES-JOYOIKCWSA-N	-1	0	267.350	1.898	40	0		CDABRM
O=C([O-])[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)Nc1cccnc1	ZINC000003634259	356008030	/nfs/dbraw/zinc/00/80/30/356008030.db2.gz	MEGKOTWHALFPHX-QCMRWSPLSA-N	-1	0	258.277	1.543	40	0		CDABRM
CSc1nccnc1CN(CC(=O)[O-])C(C)C	ZINC000079435928	356996609	/nfs/dbraw/zinc/99/66/09/356996609.db2.gz	FZURJRSGWNXGDH-UHFFFAOYSA-N	-1	0	255.343	1.494	40	0		CDABRM
Cc1cc(Cl)nc(N2CCC[C@H](C(=O)[O-])C2)n1	ZINC000072203173	357827361	/nfs/dbraw/zinc/82/73/61/357827361.db2.gz	AFSSGKHHXOANJP-QMMMGPOBSA-N	-1	0	255.705	1.739	40	0		CDABRM
CC(=O)c1cccc(OCc2ncc(C(=O)[O-])cn2)c1	ZINC000217380321	358997269	/nfs/dbraw/zinc/99/72/69/358997269.db2.gz	LJEKPDQDZWYDHC-UHFFFAOYSA-N	-1	0	272.260	1.956	40	0		CDABRM
CCOc1cccc(/C=C/C(=O)N[C@@H](C)C(=O)[O-])c1	ZINC000033439569	359332506	/nfs/dbraw/zinc/33/25/06/359332506.db2.gz	JHMTXFWQNDUQJV-JARNTUPDSA-N	-1	0	263.293	1.688	40	0		CDABRM
C[C@@]12C=C[C@@H](O1)[C@H](C(=O)[O-])[C@H]2C(=O)NCc1ccccc1	ZINC000409379896	364074547	/nfs/dbraw/zinc/07/45/47/364074547.db2.gz	BCRNPJSVSXFVRU-DVZHBHJUSA-N	-1	0	287.315	1.347	40	0		CDABRM
O=C1NC(=O)/C(=C\c2cc(Cl)c([O-])c(Cl)c2)N1	ZINC000000033927	364099391	/nfs/dbraw/zinc/09/93/91/364099391.db2.gz	DYQIDSLOYMBYIF-XVNBXDOJSA-N	-1	0	273.075	1.879	40	0		CDABRM
Cc1ocnc1C(=O)NCCc1cccc(C(=O)[O-])c1	ZINC000225553359	189757444	/nfs/dbraw/zinc/75/74/44/189757444.db2.gz	DFCMINZPUFRGTK-UHFFFAOYSA-N	-1	0	274.276	1.654	40	0		CDABRM
CCN(c1ccc(CC(=O)[O-])cc1)S(C)(=O)=O	ZINC000226106172	189769754	/nfs/dbraw/zinc/76/97/54/189769754.db2.gz	YZEGKYGXPTUTKY-UHFFFAOYSA-N	-1	0	257.311	1.100	40	0		CDABRM
Cc1noc2nc(-c3cnn(C)c3)cc(C(=O)[O-])c12	ZINC000012396705	372354583	/nfs/dbraw/zinc/35/45/83/372354583.db2.gz	CVKHSAKULHCPKT-UHFFFAOYSA-N	-1	0	258.237	1.630	40	0		CDABRM
O=C([O-])[C@H]1[C@@H](C(=O)N2CCCc3ccccc32)[C@H]2C=C[C@@H]1O2	ZINC000226546418	304209501	/nfs/dbraw/zinc/20/95/01/304209501.db2.gz	UGKVJBVINLMYGE-CBBWQLFWSA-N	-1	0	299.326	1.620	40	0		CDABRM
CCCn1nc([C@H](C)C(=O)[O-])c2ccccc2c1=O	ZINC000072209272	390616404	/nfs/dbraw/zinc/61/64/04/390616404.db2.gz	SUVKXRPVSBBBQK-VIFPVBQESA-N	-1	0	260.293	1.995	40	0		CDABRM
CCCS(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000011891164	390915880	/nfs/dbraw/zinc/91/58/80/390915880.db2.gz	QCQKUGHOSHIHHF-NSHDSACASA-N	-1	0	271.338	1.012	40	0		CDABRM
O=C([O-])c1nn(-c2ccccc2)c2c1CS(=O)(=O)CC2	ZINC000070453444	304284676	/nfs/dbraw/zinc/28/46/76/304284676.db2.gz	KXQCJCHNVOXGPH-UHFFFAOYSA-N	-1	0	292.316	1.041	40	0		CDABRM
Cn1nc(C(=O)[O-])c(I)c1C1CC1	ZINC000051330847	391856079	/nfs/dbraw/zinc/85/60/79/391856079.db2.gz	WVQHTRYPAFSSHG-UHFFFAOYSA-N	-1	0	292.076	1.600	40	0		CDABRM
CS(=O)(=O)[C@H]1[C@@H](c2cccc(F)c2)[C@H]1C(=O)[O-]	ZINC000218398183	130768288	/nfs/dbraw/zinc/76/82/88/130768288.db2.gz	DVWHMBXHYSUMKD-AEJSXWLSSA-N	-1	0	258.270	1.037	40	0		CDABRM
O=C([O-])c1ccc(CNC(=O)c2cc(C3CC3)n[nH]2)o1	ZINC000262114402	131191650	/nfs/dbraw/zinc/19/16/50/131191650.db2.gz	HNWOBYVRILIHME-UHFFFAOYSA-N	-1	0	275.264	1.508	40	0		CDABRM
C[C@H](C(=O)[O-])N(C(=O)Cc1ccc(O)cc1)C1CC1	ZINC000262126706	149023522	/nfs/dbraw/zinc/02/35/22/149023522.db2.gz	KHQGWTRIZBJESE-SECBINFHSA-N	-1	0	263.293	1.399	40	0		CDABRM
CCC[C@@H](Sc1ncnc2[nH]cnc21)C(=O)[O-]	ZINC000001703042	169745630	/nfs/dbraw/zinc/74/56/30/169745630.db2.gz	SBELOHFXFJMKRB-ZCFIWIBFSA-N	-1	0	252.299	1.698	40	0		CDABRM
O=C([O-])[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)NCCc1ccccc1	ZINC000005094739	170065913	/nfs/dbraw/zinc/06/59/13/170065913.db2.gz	QNMKUAYWBNBHJI-RQJABVFESA-N	-1	0	289.331	1.224	40	0		CDABRM
COc1ccc(NC(=O)[C@@H](CC(=O)[O-])[C@H]2CCCO2)cc1	ZINC000005249236	170079110	/nfs/dbraw/zinc/07/91/10/170079110.db2.gz	OIUDQFMGCUOGOV-QWHCGFSZSA-N	-1	0	293.319	1.904	40	0		CDABRM
Nc1ccccc1C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000005616775	170120225	/nfs/dbraw/zinc/12/02/25/170120225.db2.gz	CDGIMWSYQRLCDM-AWEZNQCLSA-N	-1	0	284.315	1.695	40	0		CDABRM
O=C([O-])[C@H]1Cc2[nH]cnc2[C@H](c2cccc(F)c2)N1	ZINC000005818941	170143630	/nfs/dbraw/zinc/14/36/30/170143630.db2.gz	HGUJPIVNFSBYCA-MNOVXSKESA-N	-1	0	261.256	1.237	40	0		CDABRM
CCOC(=O)Cc1ccc(NC(=O)CCC(=O)[O-])cc1	ZINC000008732317	170351521	/nfs/dbraw/zinc/35/15/21/170351521.db2.gz	JEYSPTPLBPCJPR-UHFFFAOYSA-N	-1	0	279.292	1.596	40	0		CDABRM
CC(=O)N[C@H](Cc1cc(F)c(F)c(F)c1)C(=O)[O-]	ZINC000016696790	170709655	/nfs/dbraw/zinc/70/96/55/170709655.db2.gz	MJBCGFLRYSZAPQ-SECBINFHSA-N	-1	0	261.199	1.236	40	0		CDABRM
CC(C)(C)c1ccc(C(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])cc1	ZINC000021969341	171344253	/nfs/dbraw/zinc/34/42/53/171344253.db2.gz	WFXBCSPJGADDFD-OLZOCXBDSA-N	-1	0	291.347	1.644	40	0		CDABRM
CCOC(=O)c1nnc2c(Cl)[n-]c(Cl)nc1-2	ZINC000035269884	172092312	/nfs/dbraw/zinc/09/23/12/172092312.db2.gz	XCTJYEKMWZSXFV-UHFFFAOYSA-N	-1	0	261.068	1.836	40	0		CDABRM
COC(=O)C(=Cc1ccc(C(=O)[O-])cc1)C(=O)OC	ZINC000035585978	172285045	/nfs/dbraw/zinc/28/50/45/172285045.db2.gz	JWKJSBDSLYKWPL-UHFFFAOYSA-N	-1	0	264.233	1.114	40	0		CDABRM
CC[C@@H]1CN(C(=O)c2ccccc2C(=O)[O-])CCO1	ZINC000036769558	172688739	/nfs/dbraw/zinc/68/87/39/172688739.db2.gz	TVKUYBLMXIGJGR-SNVBAGLBSA-N	-1	0	263.293	1.636	40	0		CDABRM
O=C([O-])[C@H]1CC(=O)N(c2ccccc2OC(F)F)C1	ZINC000037328044	173128611	/nfs/dbraw/zinc/12/86/11/173128611.db2.gz	ZRWYMPIDEGENGO-ZETCQYMHSA-N	-1	0	271.219	1.726	40	0		CDABRM
COc1cc(-c2ncn(CC(=O)[O-])n2)cc(OC)c1OC	ZINC000071649378	176240734	/nfs/dbraw/zinc/24/07/34/176240734.db2.gz	AQDXEJXKLOBFBJ-UHFFFAOYSA-N	-1	0	293.279	1.056	40	0		CDABRM
CC(=O)N1CCCC[C@@H]1c1cc(CCC(=O)[O-])nc(C)n1	ZINC000072363405	176377295	/nfs/dbraw/zinc/37/72/95/176377295.db2.gz	MQLLXGJUXYKIDH-CQSZACIVSA-N	-1	0	291.351	1.876	40	0		CDABRM
Cc1cc(N(C)C)nc([C@@]2(C)CCCN2CC(=O)[O-])n1	ZINC000072388350	176393531	/nfs/dbraw/zinc/39/35/31/176393531.db2.gz	APRRKGSKVJDWMQ-CQSZACIVSA-N	-1	0	278.356	1.247	40	0		CDABRM
Cn1nc(-c2ccccc2Cl)cc(C(=O)[O-])c1=O	ZINC000077064362	177177692	/nfs/dbraw/zinc/17/76/92/177177692.db2.gz	YMXVZMOUYFVRQI-UHFFFAOYSA-N	-1	0	264.668	1.799	40	0		CDABRM
CCc1ccccc1S(=O)(=O)N(CC(=O)[O-])C1CCC1	ZINC000653495318	424086850	/nfs/dbraw/zinc/08/68/50/424086850.db2.gz	GQRODGFOALQEIQ-UHFFFAOYSA-N	-1	0	297.376	1.877	40	0		CDABRM
CC(C)C[C@@H](NC(=O)c1ccccc1C(=O)[O-])C(N)=O	ZINC000001710424	279000568	/nfs/dbraw/zinc/00/05/68/279000568.db2.gz	RTGNRXDDOPPVDN-LLVKDONJSA-N	-1	0	278.308	1.015	40	0		CDABRM
CCc1ccc(CS(=O)(=O)N(C)[C@@H](C)C(=O)[O-])cc1	ZINC000262384386	288538506	/nfs/dbraw/zinc/53/85/06/288538506.db2.gz	HLZJDTPCFLATLJ-JTQLQIEISA-N	-1	0	285.365	1.484	40	0		CDABRM
COc1ccc2c(c1)C[C@@]1(CCC(=O)[C@H](C(=O)[O-])C1)C2=O	ZINC000003851978	295261873	/nfs/dbraw/zinc/26/18/73/295261873.db2.gz	GZDUYUVOVVAPFU-MLGOLLRUSA-N	-1	0	288.299	1.874	40	0		CDABRM
Cc1cc(C(=O)[O-])n2ncc(Br)c2n1	ZINC000036615732	301157285	/nfs/dbraw/zinc/15/72/85/301157285.db2.gz	HRLCHBDFJLSACQ-UHFFFAOYSA-N	-1	0	256.059	1.498	40	0		CDABRM
CCCCc1nc(CN2CCCC[C@@H]2C(=O)[O-])no1	ZINC000158418761	323212985	/nfs/dbraw/zinc/21/29/85/323212985.db2.gz	HEURCSXXYNUTFY-SNVBAGLBSA-N	-1	0	267.329	1.851	40	0		CDABRM
O=C([O-])CCC[C@H]([NH2+]Cc1ccccc1)C(=O)[O-]	ZINC000083328179	333208360	/nfs/dbraw/zinc/20/83/60/333208360.db2.gz	COYMONSXTWFHAZ-NSHDSACASA-N	-1	0	251.282	1.484	40	0		CDABRM
Cc1cccc(C[C@@H]2SC[C@@H](C(=O)[O-])NC2=O)c1	ZINC000062712069	524468449	/nfs/dbraw/zinc/46/84/49/524468449.db2.gz	XXXXFLVQVMJCGD-QWRGUYRKSA-N	-1	0	265.334	1.222	40	0		CDABRM
O=C([O-])[C@H]1CS[C@@H](Cc2ccc(Cl)cc2)C(=O)N1	ZINC000062712125	526333043	/nfs/dbraw/zinc/33/30/43/526333043.db2.gz	IGMGSHIQVNTTMM-ZJUUUORDSA-N	-1	0	285.752	1.567	40	0		CDABRM
COc1ccc(C=CC(=O)[O-])cc1NC(=S)NC(C)=O	ZINC000226356840	536594593	/nfs/dbraw/zinc/59/45/93/536594593.db2.gz	OSKQYKLGOQLIBX-GQCTYLIASA-N	-1	0	294.332	1.626	40	0		CDABRM
CCC1=NS(=O)(=O)N(Cc2ccccc2)C=C1C(=O)[O-]	ZINC000096031997	185067273	/nfs/dbraw/zinc/06/72/73/185067273.db2.gz	MWLIOAGSGRDHBP-UHFFFAOYSA-N	-1	0	294.332	1.567	40	0		CDABRM
O=C([O-])CN(CC1CC1)C(=O)Cc1ccsc1	ZINC000036884947	539141520	/nfs/dbraw/zinc/14/15/20/539141520.db2.gz	WLQQYHSDFCCEEW-UHFFFAOYSA-N	-1	0	253.323	1.614	40	0		CDABRM
CSc1nnc(C)n1[N-]C(=S)NC(=O)C(C)(C)C	ZINC000006320448	342307728	/nfs/dbraw/zinc/30/77/28/342307728.db2.gz	VFCFAIDNDYGDBI-UHFFFAOYSA-N	-1	0	287.414	1.299	40	0		CDABRM
CCOc1ccc([C@@H]2OC(=O)C[C@@H]2C(=O)[O-])cc1	ZINC000085394643	179048974	/nfs/dbraw/zinc/04/89/74/179048974.db2.gz	VOUCGEWFTYYPNM-JQWIXIFHSA-N	-1	0	250.250	1.774	40	0		CDABRM
Cc1cccc(-n2nc(C(=O)[O-])c(N3CCCC3)n2)c1	ZINC000256048849	350908853	/nfs/dbraw/zinc/90/88/53/350908853.db2.gz	WQKDTWNHDRIWKI-UHFFFAOYSA-N	-1	0	272.308	1.874	40	0		CDABRM
O=C([O-])[C@H]1CCCCN1C(=O)CCc1cscn1	ZINC000136473594	187880335	/nfs/dbraw/zinc/88/03/35/187880335.db2.gz	PAHZVAHSXRZHPQ-SNVBAGLBSA-N	-1	0	268.338	1.541	40	0		CDABRM
O=C([O-])C1CCN(c2cc3c(nn2)CCCC3)CC1	ZINC000096516119	304041932	/nfs/dbraw/zinc/04/19/32/304041932.db2.gz	BTMRUOAREYCZPP-UHFFFAOYSA-N	-1	0	261.325	1.656	40	0		CDABRM
CCOC(=O)c1cc(Cl)ccc1[N-]S(C)(=O)=O	ZINC000001655446	355945214	/nfs/dbraw/zinc/94/52/14/355945214.db2.gz	JTPHRBYAWFJCGS-UHFFFAOYSA-N	-1	0	277.729	1.888	40	0		CDABRM
COc1ccc(C(=O)NC(=S)SCC(=O)[O-])cc1	ZINC000002445619	355969943	/nfs/dbraw/zinc/96/99/43/355969943.db2.gz	WARCZIWXLQDMGZ-UHFFFAOYSA-N	-1	0	285.346	1.528	40	0		CDABRM
C/C(CO)=C1/CC[C@@]23CO[C@@H](C2)[C@](O)(C(=O)[O-])CC[C@@H]13	ZINC000229937682	356318642	/nfs/dbraw/zinc/31/86/42/356318642.db2.gz	QYINOGPWFQBOJX-ZEMRCBGISA-N	-1	0	282.336	1.090	40	0	biogenic,in-vitro	CDABRM
COc1cccc(-c2nc(CC(=O)[O-])cc(=O)[nH]2)c1	ZINC000058037074	357374602	/nfs/dbraw/zinc/37/46/02/357374602.db2.gz	ILNARUWPWNWGAM-UHFFFAOYSA-N	-1	0	260.249	1.073	40	0		CDABRM
CC[C@@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1CC1(Cl)Cl	ZINC000181969230	357394566	/nfs/dbraw/zinc/39/45/66/357394566.db2.gz	OFRWJWBXWYFFMB-RITPCOANSA-N	-1	0	274.169	1.425	40	0		CDABRM
CN1CC[NH+](CCCOc2ccc(C(=O)[O-])cc2)CC1	ZINC000019798117	358143081	/nfs/dbraw/zinc/14/30/81/358143081.db2.gz	RZANIGBOIBLQJO-UHFFFAOYSA-N	-1	0	278.352	1.401	40	0		CDABRM
CCn1c2ccccc2c([O-])c(C(=O)CC(C)=O)c1=O	ZINC000101408836	358845168	/nfs/dbraw/zinc/84/51/68/358845168.db2.gz	WZROFGGCRJLJFW-UHFFFAOYSA-N	-1	0	273.288	1.889	40	0		CDABRM
O=C([O-])c1cnc(COc2ccc(F)cc2Cl)[nH]c1=O	ZINC000217383646	358997284	/nfs/dbraw/zinc/99/72/84/358997284.db2.gz	PLBCDGVQJYSVIT-UHFFFAOYSA-N	-1	0	298.657	1.840	40	0		CDABRM
CC(C)(O)[C@]1(O)[C@H](O)C[C@@]2(C)CC=C(C(=O)[O-])CC[C@@H]21	ZINC000514288143	360123770	/nfs/dbraw/zinc/12/37/70/360123770.db2.gz	QUIVGWOGXNIYFU-RBDSIQFVSA-N	-1	0	284.352	1.070	40	0	biogenic,in-vitro	CDABRM
[NH3+][C@@H](CCSCc1ccccc1)P(=O)([O-])[O-]	ZINC000006575164	364865515	/nfs/dbraw/zinc/86/55/15/364865515.db2.gz	AAOSGFZMVDFXOX-SNVBAGLBSA-N	-1	0	261.283	1.772	40	0		CDABRM
C[C@@H](NC(=O)[C@@H]1C2CCC(CC2)[C@@H]1C(=O)[O-])[C@@H]1CCCO1	ZINC000006726296	296095061	/nfs/dbraw/zinc/09/50/61/296095061.db2.gz	AFIMWANBPBCXET-OVJHGDHESA-N	-1	0	295.379	1.807	40	0		CDABRM
Nc1nccnc1C(=O)NC[C@H](C(=O)[O-])C1CCCCC1	ZINC000630265323	368604265	/nfs/dbraw/zinc/60/42/65/368604265.db2.gz	NRCRHDUVSJRVRM-JTQLQIEISA-N	-1	0	292.339	1.070	40	0		CDABRM
O=C([O-])c1cccn(-c2ccc3c(c2)OCCO3)c1=O	ZINC000049866649	370524038	/nfs/dbraw/zinc/52/40/38/370524038.db2.gz	VNNHSDCEKIZNAO-UHFFFAOYSA-N	-1	0	273.244	1.307	40	0		CDABRM
COCCNC(=S)Nc1ccc(CC(=O)[O-])cc1	ZINC000013813526	541910764	/nfs/dbraw/zinc/91/07/64/541910764.db2.gz	RLJZTLOCPIJJPK-UHFFFAOYSA-N	-1	0	268.338	1.247	40	0		CDABRM
O=C([O-])[C@H]1C[C@@H]1C(=O)NC1(c2ccccc2)CCC1	ZINC000225457595	374437357	/nfs/dbraw/zinc/43/73/57/374437357.db2.gz	CLDCQOAJGWQHCB-RYUDHWBXSA-N	-1	0	259.305	1.903	40	0		CDABRM
O=C1NCCC1=C([O-])c1ccc(Br)cc1	ZINC000002527314	375191611	/nfs/dbraw/zinc/19/16/11/375191611.db2.gz	QXZJMPTUCLHTNU-SECBINFHSA-N	-1	0	268.110	1.768	40	0		CDABRM
CSCC[C@H](C(=O)[O-])n1c(C)c(C(C)=O)[nH]c1=O	ZINC000256027928	190002080	/nfs/dbraw/zinc/00/20/80/190002080.db2.gz	KCJDRHHLIFTBIJ-MRVPVSSYSA-N	-1	0	272.326	1.066	40	0		CDABRM
O=C([O-])CN1C(=O)C(F)(F)c2cc(Cl)ccc21	ZINC000217482576	375655535	/nfs/dbraw/zinc/65/55/35/375655535.db2.gz	JZIVSZDATNNSJF-UHFFFAOYSA-N	-1	0	261.611	1.863	40	0		CDABRM
O=C([O-])[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)NC1CCCCC1	ZINC000004614571	304210675	/nfs/dbraw/zinc/21/06/75/304210675.db2.gz	ZAWJFWINTRTJRS-KXNHARMFSA-N	-1	0	267.325	1.314	40	0		CDABRM
O=C([O-])c1cc(=O)n(-c2ccc(Br)cc2)[nH]1	ZINC000100690957	304220442	/nfs/dbraw/zinc/22/04/42/304220442.db2.gz	VRHKIFGQOVHSQC-UHFFFAOYSA-N	-1	0	283.081	1.626	40	0		CDABRM
O=C([O-])c1cnn(-c2ccccc2Br)n1	ZINC000020246486	304280034	/nfs/dbraw/zinc/28/00/34/304280034.db2.gz	YRRODKKABPJSGF-UHFFFAOYSA-N	-1	0	268.070	1.728	40	0		CDABRM
C[C@@]12C=C[C@@H](O1)[C@@H](C(=O)[O-])[C@H]2C(=O)Nc1ccc(F)cc1	ZINC000409378479	390974066	/nfs/dbraw/zinc/97/40/66/390974066.db2.gz	PWSFMDWDJYMDGR-FJJYHAOUSA-N	-1	0	291.278	1.809	40	0		CDABRM
CCOc1cccc(C[NH2+][C@@H](C)C(=O)[O-])c1OCC(=O)[O-]	ZINC000062716990	391566754	/nfs/dbraw/zinc/56/67/54/391566754.db2.gz	JYAQKYAFYZAGHS-VIFPVBQESA-N	-1	0	297.307	1.111	40	0		CDABRM
CCS(=O)(=O)[C@H]1[C@@H](c2ccccc2)[C@H]1C(=O)[O-]	ZINC000218028575	130765344	/nfs/dbraw/zinc/76/53/44/130765344.db2.gz	QFZQFEKJMVWVJE-AXFHLTTASA-N	-1	0	254.307	1.288	40	0		CDABRM
COC[C@@H](C)C(=O)Nc1ccc(C(=O)[O-])c(C)c1	ZINC000237159304	131009306	/nfs/dbraw/zinc/00/93/06/131009306.db2.gz	WTPKEECVQQIVRD-SECBINFHSA-N	-1	0	251.282	1.914	40	0		CDABRM
CCS(=O)(=O)[C@@H]1[C@H](C(=O)[O-])[C@H]1c1ccccc1	ZINC000252516137	392798130	/nfs/dbraw/zinc/79/81/30/392798130.db2.gz	QFZQFEKJMVWVJE-MXWKQRLJSA-N	-1	0	254.307	1.288	40	0		CDABRM
CCc1ccc([C@@H]2[C@@H](C(=O)[O-])[C@H]2S(=O)(=O)CC)cc1	ZINC000242498514	393195876	/nfs/dbraw/zinc/19/58/76/393195876.db2.gz	HJURKDHJIUTJKE-UPJWGTAASA-N	-1	0	282.361	1.850	40	0		CDABRM
COC1(CC(=O)N2CCC[C@H]2CC(=O)[O-])CCC1	ZINC000234576515	292104502	/nfs/dbraw/zinc/10/45/02/292104502.db2.gz	PXVXSEDZHGFLCP-JTQLQIEISA-N	-1	0	255.314	1.411	40	0		CDABRM
CCOC(=O)C[C@@]1(C)N[C@H](C(=O)[O-])C(C)(C)S1	ZINC000001707338	285783727	/nfs/dbraw/zinc/78/37/27/285783727.db2.gz	MZUPUIOJKDNYMB-KCJUWKMLSA-N	-1	0	261.343	1.224	40	0		CDABRM
CCCCNC(=S)[N-]S(=O)(=O)c1ccccc1C	ZINC000005419855	170097166	/nfs/dbraw/zinc/09/71/66/170097166.db2.gz	RIJFTBUPOSZXQG-UHFFFAOYSA-N	-1	0	286.422	1.948	40	0		CDABRM
CC(C)c1ncc(C(=O)N2CCC(CC(=O)[O-])CC2)cn1	ZINC000019746058	170851883	/nfs/dbraw/zinc/85/18/83/170851883.db2.gz	ZPNIILQARTXICR-UHFFFAOYSA-N	-1	0	291.351	1.927	40	0		CDABRM
O=C([O-])Cc1ccc(NC(=O)c2cccnc2)cc1	ZINC000020143456	171029127	/nfs/dbraw/zinc/02/91/27/171029127.db2.gz	KSUNCUOFSAZAGI-UHFFFAOYSA-N	-1	0	256.261	1.961	40	0		CDABRM
COc1ccc(-c2nc(SCC(=O)[O-])n[nH]2)cc1OC	ZINC000020159430	171040044	/nfs/dbraw/zinc/04/00/44/171040044.db2.gz	DUKDYHSDWFGASJ-UHFFFAOYSA-N	-1	0	295.320	1.666	40	0		CDABRM
Cc1ccc(S(=O)(=O)[N-]c2nccs2)cc1C(N)=O	ZINC000073635016	176480111	/nfs/dbraw/zinc/48/01/11/176480111.db2.gz	ZUIWLNRYYKYKHI-UHFFFAOYSA-N	-1	0	297.361	1.351	40	0		CDABRM
COc1cccc(-c2noc([N-][C@@H]3CCN(C)C3=O)n2)c1	ZINC000078295766	177331084	/nfs/dbraw/zinc/33/10/84/177331084.db2.gz	WSLACANUJJNORU-LLVKDONJSA-N	-1	0	288.307	1.388	40	0		CDABRM
COC(=O)c1cc(C(=O)OCc2ccccc2)n[n-]1	ZINC000228982486	260322566	/nfs/dbraw/zinc/32/25/66/260322566.db2.gz	IGIULYFGUNOFPG-UHFFFAOYSA-N	-1	0	260.249	1.553	40	0		CDABRM
Cn1cnc(C(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)c1	ZINC000653328164	424430798	/nfs/dbraw/zinc/43/07/98/424430798.db2.gz	FHODRNQHSIGEKB-VXGBXAGGSA-N	-1	0	285.303	1.463	40	0		CDABRM
C[C@]1(C(=O)[O-])CCCN1Cc1ncn(-c2ccccc2)n1	ZINC000652480529	424479750	/nfs/dbraw/zinc/47/97/50/424479750.db2.gz	IGGIZOGBVCMZEN-OAHLLOKOSA-N	-1	0	286.335	1.706	40	0		CDABRM
CC(=O)N1CC[C@@H]2[C@H](C1)CCCCN2C(=O)CCC(=O)[O-]	ZINC000257206264	278053024	/nfs/dbraw/zinc/05/30/24/278053024.db2.gz	BCQIKBQBMPAMFU-QWHCGFSZSA-N	-1	0	296.367	1.101	40	0		CDABRM
CC(C)(C)OC(=O)N1CC2(C1)OC[C@H]2CC(=O)[O-]	ZINC000306145711	278380379	/nfs/dbraw/zinc/38/03/79/278380379.db2.gz	OHRXLVRTNYFMIQ-MRVPVSSYSA-N	-1	0	257.286	1.097	40	0		CDABRM
CC1=C[C@@H](C)[C@@H](C(=O)[O-])[C@H](C(=O)N2CCN(C)CC2)C1	ZINC000004151556	281690014	/nfs/dbraw/zinc/69/00/14/281690014.db2.gz	WWKUJJPNJHOTEE-JHJVBQTASA-N	-1	0	280.368	1.064	40	0		CDABRM
COc1ccc(-c2c(N)nc(=S)[nH]c2C(=O)[O-])cc1	ZINC000005550209	295046380	/nfs/dbraw/zinc/04/63/80/295046380.db2.gz	OZZDHYTZMXDASP-UHFFFAOYSA-N	-1	0	277.305	1.721	40	0		CDABRM
CN(Cc1ncc[nH]1)c1cc(C(C)(C)C)nc(C(=O)[O-])n1	ZINC000582608732	325008702	/nfs/dbraw/zinc/00/87/02/325008702.db2.gz	BHMPLMQMWZKUIR-UHFFFAOYSA-N	-1	0	289.339	1.832	40	0		CDABRM
CCn1cc(/C=C2/NC(=O)[N-]C2=O)c2ccccc21	ZINC000059232977	523303825	/nfs/dbraw/zinc/30/38/25/523303825.db2.gz	XLUDJLGQKISLCL-YRNVUSSQSA-N	-1	0	255.277	1.842	40	0		CDABRM
C[C@@]1(C(=O)[O-])CC(c2cnc(N3CCCCC3)nc2)=NO1	ZINC000226084564	1161390028	/nfs/dbraw/zinc/39/00/28/1161390028.db2.gz	RAZHHWHZECOXQJ-AWEZNQCLSA-N	-1	0	290.323	1.435	40	0		CDABRM
CCOC(=O)[C@H](CCc1ccccc1)NC(C)C(=O)[O-]	ZINC001560407523	960943591	/nfs/dbraw/zinc/94/35/91/960943591.db2.gz	KRKOJAUTTBAIQR-ZDUSSCGKSA-N	-1	0	278.328	1.777	40	0		CDABRM
CCCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)CC(=O)[O-]	ZINC000147592875	342483807	/nfs/dbraw/zinc/48/38/07/342483807.db2.gz	SXJYRMZSGGQNDY-ZJUUUORDSA-N	-1	0	275.345	1.906	40	0		CDABRM
CCn1nc(-c2cccs2)cc(C(=O)[O-])c1=O	ZINC000082459391	178034946	/nfs/dbraw/zinc/03/49/46/178034946.db2.gz	MYVRWWWYHYQUAD-UHFFFAOYSA-N	-1	0	250.279	1.690	40	0		CDABRM
CC(C)C[C@H](C(=O)[O-])N1CCC(C)(C)S(=O)(=O)CC1	ZINC000629488145	362095308	/nfs/dbraw/zinc/09/53/08/362095308.db2.gz	IIGSFSBLWQSDEB-LLVKDONJSA-N	-1	0	291.413	1.385	40	0		CDABRM
COP(=O)(OC)C(CC(=O)[O-])P(=O)(OC)OC	ZINC000220099646	342448057	/nfs/dbraw/zinc/44/80/57/342448057.db2.gz	YXZCIPQTTGVZET-UHFFFAOYSA-N	-1	0	290.145	1.759	40	0		CDABRM
O=C1C[C@@H]([P@@](=O)([O-])[C@@H](O)c2ccccc2)CO1	ZINC000001250652	362429831	/nfs/dbraw/zinc/42/98/31/362429831.db2.gz	SWWKCGCWCPUTRO-MWLCHTKSSA-N	-1	0	256.194	1.263	40	0		CDABRM
Cn1nc(C(=O)[O-])c2ncc(Br)cc21	ZINC000222097001	344848790	/nfs/dbraw/zinc/84/87/90/344848790.db2.gz	BOWXMISFIVXLBU-UHFFFAOYSA-N	-1	0	256.059	1.429	40	0		CDABRM
COC(CN(CCC(=O)[O-])C(=O)OC(C)(C)C)OC	ZINC000582468932	346223713	/nfs/dbraw/zinc/22/37/13/346223713.db2.gz	GMVZOTPXZMMNFX-UHFFFAOYSA-N	-1	0	277.317	1.317	40	0		CDABRM
Nc1c(C(=O)[O-])cnn1-c1ccccc1Br	ZINC000015021054	303491861	/nfs/dbraw/zinc/49/18/61/303491861.db2.gz	QXISVFVHSSKDQA-UHFFFAOYSA-N	-1	0	282.097	1.915	40	0		CDABRM
CSc1nc2c(c(=O)[nH][n-]c2=O)n1Cc1ccccc1	ZINC000001704395	355948863	/nfs/dbraw/zinc/94/88/63/355948863.db2.gz	VBXHDINWUQCYGN-UHFFFAOYSA-N	-1	0	288.332	1.183	40	0		CDABRM
C[C@H](C(=O)[O-])N(C)C(=O)c1cnc2ccccc2n1	ZINC000017020774	356451990	/nfs/dbraw/zinc/45/19/90/356451990.db2.gz	QZTGAMKKSOLPRY-MRVPVSSYSA-N	-1	0	259.265	1.175	40	0		CDABRM
COc1cc(OC)nc([N-]S(=O)(=O)c2ccccc2)n1	ZINC000016215079	356434100	/nfs/dbraw/zinc/43/41/00/356434100.db2.gz	REPYIWODFNJVJV-UHFFFAOYSA-N	-1	0	295.320	1.295	40	0		CDABRM
Cc1ccc2c(c1)C(=O)C(c1c[nH]c(=O)nn1)C(=O)N2	ZINC000018178287	356469492	/nfs/dbraw/zinc/46/94/92/356469492.db2.gz	DRJWMQHFKFQSJE-UHFFFAOYSA-N	-1	0	270.248	1.100	40	0		CDABRM
Cc1nc(C2CC2)cc(N2CCC(C(=O)[O-])CC2)n1	ZINC000096516877	357522212	/nfs/dbraw/zinc/52/22/12/357522212.db2.gz	YNDJWXDUSIAUPH-UHFFFAOYSA-N	-1	0	261.325	1.963	40	0		CDABRM
Cc1cccc(NC(=O)CSc2nc([O-])cc(=O)[nH]2)c1	ZINC000013881332	366500387	/nfs/dbraw/zinc/50/03/87/366500387.db2.gz	HBIYZSISUGHUFA-UHFFFAOYSA-N	-1	0	291.332	1.515	40	0		CDABRM
O=c1ccc(=O)n(-c2ccc(OC(F)(F)F)cc2)[n-]1	ZINC000039319961	359521278	/nfs/dbraw/zinc/52/12/78/359521278.db2.gz	HVEUSSNFBHZHGF-UHFFFAOYSA-N	-1	0	272.182	1.837	40	0		CDABRM
COC(C)(C)C(=O)Nc1ccc(OCC(=O)[O-])cc1	ZINC000225598830	359601903	/nfs/dbraw/zinc/60/19/03/359601903.db2.gz	RBBQKJSLDNXHJI-UHFFFAOYSA-N	-1	0	267.281	1.514	40	0		CDABRM
CCOC(=O)[C@H]1CCCN(C(=O)[C@@H]2[C@H](C(=O)[O-])C2(C)C)C1	ZINC000034926403	360543652	/nfs/dbraw/zinc/54/36/52/360543652.db2.gz	YHQVBIYAMICIEJ-GARJFASQSA-N	-1	0	297.351	1.145	40	0		CDABRM
O=C([O-])[C@@H]1CC(=O)O[C@@H]1c1ccc(O)c(Cl)c1	ZINC000085393356	304098202	/nfs/dbraw/zinc/09/82/02/304098202.db2.gz	WHMWWFZRSMYFFA-LHLIQPBNSA-N	-1	0	256.641	1.734	40	0		CDABRM
C[C@H](CN(C(=O)c1cc(C2CC2)n[nH]1)C1CC1)C(=O)[O-]	ZINC000237377927	361378337	/nfs/dbraw/zinc/37/83/37/361378337.db2.gz	FWUMJYGJZHHROM-MRVPVSSYSA-N	-1	0	277.324	1.612	40	0		CDABRM
COCCOc1cc(C(=O)[O-])n(-c2ccccc2)n1	ZINC000218292643	365363507	/nfs/dbraw/zinc/36/35/07/365363507.db2.gz	XLILLLAUHSCBLU-UHFFFAOYSA-N	-1	0	262.265	1.596	40	0		CDABRM
C[C@@H](C[P@@](=O)([O-])[C@@H]([NH3+])c1ccccc1)C(=O)[O-]	ZINC000012886890	373200193	/nfs/dbraw/zinc/20/01/93/373200193.db2.gz	GEUNIZYETRAGHZ-WCBMZHEXSA-N	-1	0	257.226	1.635	40	0		CDABRM
O=C([O-])[C@@H](CC(=O)c1ccc(F)cc1)N1CCOCC1	ZINC000256028220	190002225	/nfs/dbraw/zinc/00/22/25/190002225.db2.gz	ZBALCCWELRWJFK-GFCCVEGCSA-N	-1	0	281.283	1.184	40	0		CDABRM
COC[C@]1(C(=O)[O-])[C@H](c2ccc(C)cc2)[C@@H]1S(C)(=O)=O	ZINC000218372283	375820600	/nfs/dbraw/zinc/82/06/00/375820600.db2.gz	JMQCFGHSOQXXMD-DYEKYZERSA-N	-1	0	298.360	1.223	40	0		CDABRM
COCCN1C(=O)CCc2cc(OCCC(=O)[O-])ccc21	ZINC000218786268	375895540	/nfs/dbraw/zinc/89/55/40/375895540.db2.gz	DTAPOLULYPLRDI-UHFFFAOYSA-N	-1	0	293.319	1.466	40	0		CDABRM
O=C([O-])c1ccc(N2CCN3C(=O)CC[C@@H]3C2)s1	ZINC000168604859	304246731	/nfs/dbraw/zinc/24/67/31/304246731.db2.gz	YFUWKOMJBNVPAG-MRVPVSSYSA-N	-1	0	266.322	1.257	40	0		CDABRM
COc1ccc([C@H]2COC(=O)[C@H]2C(=O)[O-])cc1OC	ZINC000242592443	256698845	/nfs/dbraw/zinc/69/88/45/256698845.db2.gz	OUQWZIPKUAMFEX-LDYMZIIASA-N	-1	0	266.249	1.045	40	0		CDABRM
Cc1nc(I)ccc1C(=O)[O-]	ZINC000072219672	256707769	/nfs/dbraw/zinc/70/77/69/256707769.db2.gz	DXDWNBNLZTUNLR-UHFFFAOYSA-N	-1	0	263.034	1.693	40	0		CDABRM
CSc1nn2c([n-]1)nc(Cc1ccccc1)cc2=O	ZINC000014164047	391204733	/nfs/dbraw/zinc/20/47/33/391204733.db2.gz	WDAOELYESUMGEM-UHFFFAOYSA-N	-1	0	272.333	1.730	40	0		CDABRM
O=S(=O)([N-]c1nncs1)c1ccc(Cl)cc1	ZINC000005392765	170093980	/nfs/dbraw/zinc/09/39/80/170093980.db2.gz	ZKVUPXIROHKFOO-UHFFFAOYSA-N	-1	0	275.742	1.992	40	0		CDABRM
CC[C@H](C)NS(=O)(=O)c1cc(C(=O)[O-])ccc1F	ZINC000008029982	170315193	/nfs/dbraw/zinc/31/51/93/170315193.db2.gz	IQJPFYACNKSIGH-ZETCQYMHSA-N	-1	0	275.301	1.601	40	0		CDABRM
COc1ccc(OCc2nnc(CCC(=O)[O-])o2)cc1	ZINC000019780333	170861794	/nfs/dbraw/zinc/86/17/94/170861794.db2.gz	PDJIQTZUXFZSTE-UHFFFAOYSA-N	-1	0	278.264	1.674	40	0		CDABRM
O=C([O-])c1cnc(COc2ccccc2Cl)[nH]c1=O	ZINC000020134283	171021702	/nfs/dbraw/zinc/02/17/02/171021702.db2.gz	DSWRHDFDTFDODS-UHFFFAOYSA-N	-1	0	280.667	1.701	40	0		CDABRM
O=C([O-])CN1C(=O)[C@@H]2[C@H]3C[C@@H](c4ccccc4)[C@H](C3)[C@H]2C1=O	ZINC000040451236	174265751	/nfs/dbraw/zinc/26/57/51/174265751.db2.gz	YOQALDVKHNGWCA-JQPXUNLUSA-N	-1	0	299.326	1.496	40	0		CDABRM
COc1ccc([C@H]2[C@H](C(=O)[O-])CC(=O)N2C2CC2)cc1	ZINC000045922847	175387017	/nfs/dbraw/zinc/38/70/17/175387017.db2.gz	IKVZZFZSCXRLKT-OCCSQVGLSA-N	-1	0	275.304	1.832	40	0		CDABRM
COc1ccccc1OCc1noc(CCC(=O)[O-])n1	ZINC000078400903	177337523	/nfs/dbraw/zinc/33/75/23/177337523.db2.gz	BXIRHCGUVXIUMD-UHFFFAOYSA-N	-1	0	278.264	1.674	40	0		CDABRM
C[C@H](C[C@@H]1NCc2ccccc2N1)n1[n-]c(=O)ccc1=O	ZINC000409202485	261148289	/nfs/dbraw/zinc/14/82/89/261148289.db2.gz	SUEAHWBBGNSXPD-ZWNOBZJWSA-N	-1	0	286.335	1.441	40	0		CDABRM
O=C1[N-]C(=O)C2(CCCC2)C(=O)N1c1ccccc1	ZINC000001752258	280278706	/nfs/dbraw/zinc/27/87/06/280278706.db2.gz	UDMFULAVIAWHCY-UHFFFAOYSA-N	-1	0	258.277	1.830	40	0		CDABRM
Cc1cc(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])nn1C	ZINC000006400237	301361190	/nfs/dbraw/zinc/36/11/90/301361190.db2.gz	TZNUZBSBXWBGFB-QCZKYFFMSA-N	-1	0	275.308	1.190	40	0		CDABRM
Nc1nc(Br)c(C(=O)[O-])nc1Cl	ZINC000225748538	333182447	/nfs/dbraw/zinc/18/24/47/333182447.db2.gz	JKNNBRIEKGNNBL-UHFFFAOYSA-N	-1	0	252.455	1.173	40	0		CDABRM
CCc1cc(C(=O)N2CCC[C@@H]2CC(=O)[O-])n(C)n1	ZINC000090125628	483194822	/nfs/dbraw/zinc/19/48/22/483194822.db2.gz	AXGAOUSMBUABEL-SNVBAGLBSA-N	-1	0	265.313	1.062	40	0		CDABRM
COc1cc2c(=O)ccn([C@H](C)C(=O)[O-])c2cc1OC	ZINC000062718794	522988280	/nfs/dbraw/zinc/98/82/80/522988280.db2.gz	CEOCZHJXNZHTBJ-MRVPVSSYSA-N	-1	0	277.276	1.664	40	0		CDABRM
O=C([O-])[C@H]1CS[C@@H](Cc2ccc(F)cc2F)C(=O)N1	ZINC000062712318	526333148	/nfs/dbraw/zinc/33/31/48/526333148.db2.gz	VFNNZEFSYFJOHX-ZJUUUORDSA-N	-1	0	287.287	1.192	40	0		CDABRM
O=C([O-])[C@H]([NH2+]CCO)c1ccc(Br)cc1	ZINC000070453688	361972064	/nfs/dbraw/zinc/97/20/64/361972064.db2.gz	CKQOROJVNXDCJP-SECBINFHSA-N	-1	0	274.114	1.157	40	0		CDABRM
CCN(C[C@H]1CCCO1)C(=O)N=c1ncn(C(C)(C)C)[n-]1	ZINC000329762168	362045844	/nfs/dbraw/zinc/04/58/44/362045844.db2.gz	SGYLZVRUWJRDAG-LLVKDONJSA-N	-1	0	295.387	1.488	40	0		CDABRM
C[C@H](C(=O)[O-])n1nnc(-c2ccccc2Cl)n1	ZINC000164829093	348743356	/nfs/dbraw/zinc/74/33/56/348743356.db2.gz	GGZRPKFIESISAW-ZCFIWIBFSA-N	-1	0	252.661	1.639	40	0		CDABRM
O=C([O-])c1nn(-c2ncccc2Cl)nc1Cl	ZINC000089261776	179762066	/nfs/dbraw/zinc/76/20/66/179762066.db2.gz	BAUYCGDNUZOSDT-UHFFFAOYSA-N	-1	0	259.052	1.667	40	0		CDABRM
COC(=O)c1cc(NC(=O)/C=C\C(=O)[O-])ccc1Cl	ZINC000034776406	355901069	/nfs/dbraw/zinc/90/10/69/355901069.db2.gz	YODZUOSTBKQKDX-PLNGDYQASA-N	-1	0	283.667	1.706	40	0		CDABRM
CCN(CC)c1ccc(S(=O)(=O)[N-]C(=O)OC)cc1	ZINC000001711414	355948615	/nfs/dbraw/zinc/94/86/15/355948615.db2.gz	SZOSHJOLMAXKDI-UHFFFAOYSA-N	-1	0	286.353	1.578	40	0		CDABRM
CC[C@@H](S[C@@H](C(=O)[O-])c1ccccc1)C(N)=O	ZINC000001751570	355950845	/nfs/dbraw/zinc/95/08/45/355950845.db2.gz	KZJVLZNKMHIYCB-NXEZZACHSA-N	-1	0	253.323	1.809	40	0		CDABRM
Nc1cccc(C[C@H](NC(=O)c2ccccc2)C(=O)[O-])c1	ZINC000001759513	355951537	/nfs/dbraw/zinc/95/15/37/355951537.db2.gz	JZMITVRTVKWWPD-AWEZNQCLSA-N	-1	0	284.315	1.695	40	0		CDABRM
O=C([O-])[C@@H](Cc1ccccc1F)N1CCOCC1	ZINC000041323065	357030979	/nfs/dbraw/zinc/03/09/79/357030979.db2.gz	CYAXPRIBXDRJHS-GFCCVEGCSA-N	-1	0	253.273	1.154	40	0		CDABRM
C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)Nc2nn[nH]n2)c1	ZINC000060380407	357441452	/nfs/dbraw/zinc/44/14/52/357441452.db2.gz	HNAZLCCQDIBTCQ-XCBNKYQSSA-N	-1	0	286.295	1.047	40	0		CDABRM
O=C([O-])C[C@@H]1CSc2nc(-c3ccco3)cc(=O)n21	ZINC000085397264	304080836	/nfs/dbraw/zinc/08/08/36/304080836.db2.gz	BOEOPVPOIALPNA-SSDOTTSWSA-N	-1	0	278.289	1.625	40	0		CDABRM
C[C@@H]1CC[C@@H]2C(C)(C)C[C@](C)(CO)[C@]2(O)[C@H]1C(=O)[O-]	ZINC000247854344	359139052	/nfs/dbraw/zinc/13/90/52/359139052.db2.gz	CAKZQSFFOAEEET-KAILVDNBSA-N	-1	0	270.369	1.893	40	0	biogenic,in-vitro	CDABRM
CN(CCCC(=O)[O-])S(=O)(=O)c1ccc(Cl)cc1	ZINC000032151082	359193767	/nfs/dbraw/zinc/19/37/67/359193767.db2.gz	PTIOOFODYMNSPT-UHFFFAOYSA-N	-1	0	291.756	1.825	40	0		CDABRM
COc1cccc(-c2ncc(CCC(=O)[O-])c(=O)[nH]2)c1	ZINC000223446664	359426585	/nfs/dbraw/zinc/42/65/85/359426585.db2.gz	PWQXQBRISTVAGW-UHFFFAOYSA-N	-1	0	274.276	1.463	40	0		CDABRM
CCO[C@@H](Cc1ccc(OC)cc1OC)C(=O)[O-]	ZINC000225113701	359550782	/nfs/dbraw/zinc/55/07/82/359550782.db2.gz	GQSVKYPUNJVCAO-LBPRGKRZSA-N	-1	0	254.282	1.736	40	0		CDABRM
O=C([O-])[C@H]1[C@@H](C(=O)Nc2cc(F)ccc2F)[C@H]2C=C[C@@H]1O2	ZINC000225785846	359617141	/nfs/dbraw/zinc/61/71/41/359617141.db2.gz	DVCPSCSBTRQRNT-NOOOWODRSA-N	-1	0	295.241	1.558	40	0		CDABRM
CCC(=O)NC(=S)Nc1ccc(OCC(=O)[O-])cc1	ZINC000226358549	360695962	/nfs/dbraw/zinc/69/59/62/360695962.db2.gz	ITFPNFJYTOWNEO-UHFFFAOYSA-N	-1	0	282.321	1.373	40	0		CDABRM
O=C([O-])[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)NCc1ccccc1F	ZINC000101780089	364451007	/nfs/dbraw/zinc/45/10/07/364451007.db2.gz	ZCWNOFNGHFABLS-DJBIQUGXSA-N	-1	0	289.306	1.965	40	0		CDABRM
CCCCCCNC(=O)[C@H]1[C@@H](C(=O)[O-])[C@H]2C=C[C@@H]1O2	ZINC000169619746	365043362	/nfs/dbraw/zinc/04/33/62/365043362.db2.gz	OINRSMJUULIMHA-QCNOEVLYSA-N	-1	0	267.325	1.337	40	0		CDABRM
CC[C@@H](C)Nc1ccc(C(=O)[O-])cc1S(N)(=O)=O	ZINC000217402673	189709938	/nfs/dbraw/zinc/70/99/38/189709938.db2.gz	BSMRRZSFBUOYOP-SSDOTTSWSA-N	-1	0	272.326	1.243	40	0		CDABRM
O=C([O-])[C@@H]1Cc2[nH]cnc2[C@@H](c2cccc(F)c2)N1	ZINC000005818935	304151060	/nfs/dbraw/zinc/15/10/60/304151060.db2.gz	HGUJPIVNFSBYCA-WDEREUQCSA-N	-1	0	261.256	1.237	40	0		CDABRM
COc1ccc(NC(=O)[C@H](C)[C@@H]2SC(=O)[N-]C2=O)cc1	ZINC000002699286	373468392	/nfs/dbraw/zinc/46/83/92/373468392.db2.gz	LCQOMMOWSZQIAE-XCBNKYQSSA-N	-1	0	294.332	1.621	40	0		CDABRM
Cc1nn(CC(=O)N2CCC[C@@H](C(=O)[O-])C2)c(C)c1Cl	ZINC000225445856	374408573	/nfs/dbraw/zinc/40/85/73/374408573.db2.gz	JYRJCLUSHJWLBH-SNVBAGLBSA-N	-1	0	299.758	1.477	40	0		CDABRM
O=C([O-])CN1N=C(c2ccc3c(c2)CCCC3)[C@H]2C[C@H]2C1=O	ZINC000217834823	375746383	/nfs/dbraw/zinc/74/63/83/375746383.db2.gz	WNGDAHLDSPHDDO-UONOGXRCSA-N	-1	0	298.342	1.832	40	0		CDABRM
O=C([O-])[C@@H]1CC[C@@]2(C1)SCCCS2(=O)=O	ZINC000217906321	375759720	/nfs/dbraw/zinc/75/97/20/375759720.db2.gz	BVKGLKLPFMEBSW-VXNVDRBHSA-N	-1	0	250.341	1.119	40	0		CDABRM
Cc1n[nH]c(C)c1CCCn1cc(C(=O)[O-])ccc1=O	ZINC000257341275	190036747	/nfs/dbraw/zinc/03/67/47/190036747.db2.gz	ZJQBOIKTOGIZIS-UHFFFAOYSA-N	-1	0	275.308	1.519	40	0		CDABRM
CC(C)S(=O)(=O)c1ccc(OCC(=O)[O-])c(Cl)c1	ZINC000218304424	379631163	/nfs/dbraw/zinc/63/11/63/379631163.db2.gz	CBKPFBILTCWZKW-UHFFFAOYSA-N	-1	0	292.740	1.986	40	0		CDABRM
CN(C)C(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1	ZINC000000240097	169583869	/nfs/dbraw/zinc/58/38/69/169583869.db2.gz	UAWSKHZYESMLTQ-UHFFFAOYSA-N	-1	0	262.718	1.300	40	0		CDABRM
CCCOc1ccc(C(=O)[O-])cc1NS(C)(=O)=O	ZINC000169875162	292868153	/nfs/dbraw/zinc/86/81/53/292868153.db2.gz	WSFRPHVNJUASDI-UHFFFAOYSA-N	-1	0	273.310	1.545	40	0		CDABRM
O=C([O-])c1cn(-c2nccnc2N2CCCCCC2)cn1	ZINC000096517385	390533034	/nfs/dbraw/zinc/53/30/34/390533034.db2.gz	MFLKLATZUOZMOI-UHFFFAOYSA-N	-1	0	287.323	1.741	40	0		CDABRM
CC[C@@H](C)n1cc(N2C[C@@H](C(=O)[O-])CC2=O)cn1	ZINC000096528889	390539494	/nfs/dbraw/zinc/53/94/94/390539494.db2.gz	OBRXCGVVDQNAJW-BDAKNGLRSA-N	-1	0	251.286	1.292	40	0		CDABRM
Cc1ccc(F)cc1NC(=O)[C@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)[O-]	ZINC000006741701	170237773	/nfs/dbraw/zinc/23/77/73/170237773.db2.gz	KBTYMRLQHKKWIC-VOAKCMCISA-N	-1	0	293.294	1.951	40	0		CDABRM
CCCc1nnc(C)n1-c1cccc(OCC(=O)[O-])c1	ZINC000019927132	170930105	/nfs/dbraw/zinc/93/01/05/170930105.db2.gz	WELIYUMLQJNRNE-UHFFFAOYSA-N	-1	0	275.308	1.992	40	0		CDABRM
CCC(=O)NC(=S)Nc1ccc(C(=O)[O-])cc1C	ZINC000020151244	171037784	/nfs/dbraw/zinc/03/77/84/171037784.db2.gz	LYHNFINFEAKIEN-UHFFFAOYSA-N	-1	0	266.322	1.916	40	0		CDABRM
C[C@@H]1[C@@H](C)CCC[C@@H]1NC(=O)c1c(C(=O)[O-])cnn1C	ZINC000020616600	171267863	/nfs/dbraw/zinc/26/78/63/171267863.db2.gz	VZVKQYMCUYAOAN-NGZCFLSTSA-N	-1	0	279.340	1.673	40	0		CDABRM
CCNS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl	ZINC000021949069	171338861	/nfs/dbraw/zinc/33/88/61/171338861.db2.gz	ULRSRNUETUKNPL-UHFFFAOYSA-N	-1	0	263.702	1.336	40	0		CDABRM
CC[C@@H](C(=O)[O-])c1ccc(N2C(=O)C=CC2=O)cc1	ZINC000044563776	175207294	/nfs/dbraw/zinc/20/72/94/175207294.db2.gz	JTXKSTIGCAWIEQ-LLVKDONJSA-N	-1	0	259.261	1.694	40	0		CDABRM
O=C([O-])[C@H]1CC(=O)N(c2ccccc2N2CCCC2)C1	ZINC000045958751	175389593	/nfs/dbraw/zinc/38/95/93/175389593.db2.gz	NZWRBQSXQUHAHV-NSHDSACASA-N	-1	0	274.320	1.724	40	0		CDABRM
CCc1ccc([C@@H]2N[C@H](C(=O)[O-])Cc3[nH]cnc32)cc1	ZINC000071610061	176231403	/nfs/dbraw/zinc/23/14/03/176231403.db2.gz	DZEOXLDQCGPCEA-STQMWFEESA-N	-1	0	271.320	1.660	40	0		CDABRM
COc1cc(-c2n[nH]cc2C(=O)[O-])cc(OC)c1OC	ZINC000071980896	176307636	/nfs/dbraw/zinc/30/76/36/176307636.db2.gz	MHTFGUJVFNBPDN-UHFFFAOYSA-N	-1	0	278.264	1.801	40	0		CDABRM
CC(=O)N1CCC[C@@H](c2cnc(CCC(=O)[O-])cn2)C1	ZINC000072344513	176373133	/nfs/dbraw/zinc/37/31/33/176373133.db2.gz	KUQLXFUUIBATBC-LLVKDONJSA-N	-1	0	277.324	1.220	40	0		CDABRM
CC(=O)CC([O-])=CC(O)(C(F)(F)F)C(F)(F)F	ZINC000100075353	277933172	/nfs/dbraw/zinc/93/31/72/277933172.db2.gz	GFJDOGDBHNOIOK-UHFFFAOYSA-N	-1	0	266.137	1.780	40	0		CDABRM
CCn1nnc(C)c1/C=C/c1cc(C(=O)[O-])ncn1	ZINC000583125769	325111093	/nfs/dbraw/zinc/11/10/93/325111093.db2.gz	ZLDGRSMOLWKMLU-SNAWJCMRSA-N	-1	0	259.269	1.265	40	0		CDABRM
CC(=O)c1ccc(-c2nnc(SCC(=O)[O-])n2C)cc1	ZINC000228925763	570372938	/nfs/dbraw/zinc/37/29/38/570372938.db2.gz	QNAVDESKTFVQAP-UHFFFAOYSA-N	-1	0	291.332	1.861	40	0		CDABRM
CCCn1c2ccccc2nc(CCC(=O)[O-])c1=O	ZINC000011729748	1165530728	/nfs/dbraw/zinc/53/07/28/1165530728.db2.gz	DMQKHWXSGORFFF-UHFFFAOYSA-N	-1	0	260.293	1.824	40	0		CDABRM
O=C([O-])[C@H]1CCCN1C(=O)Cc1cc(F)ccc1F	ZINC000082574709	178114970	/nfs/dbraw/zinc/11/49/70/178114970.db2.gz	NWECKAGQELUQDH-LLVKDONJSA-N	-1	0	269.247	1.583	40	0		CDABRM
CCOc1cccc(C=C(C#N)C#N)c1OCC(=O)[O-]	ZINC000006965058	342342330	/nfs/dbraw/zinc/34/23/30/342342330.db2.gz	AGTFDWUAHHRWHU-UHFFFAOYSA-N	-1	0	272.260	1.979	40	0		CDABRM
CCOC(=O)c1cc(C(=O)[O-])nn1CCC(F)(F)F	ZINC000408717461	365730217	/nfs/dbraw/zinc/73/02/17/365730217.db2.gz	AZVXAWSSQSJVDY-UHFFFAOYSA-N	-1	0	280.202	1.710	40	0		CDABRM
COc1ccc(N=C2S[C@H](C(=O)[O-])CC(=O)N2C)cc1	ZINC000000245887	346023258	/nfs/dbraw/zinc/02/32/58/346023258.db2.gz	SHHMYICJNAACAQ-JTQLQIEISA-N	-1	0	294.332	1.731	40	0		CDABRM
O=C([O-])[C@@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1F	ZINC000107259055	186165152	/nfs/dbraw/zinc/16/51/52/186165152.db2.gz	JQGKTZMTJXSICS-MNOVXSKESA-N	-1	0	267.256	1.678	40	0		CDABRM
Cc1cc(C)n([N-]C(=O)c2ccccc2F)c(=O)c1	ZINC000002790948	358502079	/nfs/dbraw/zinc/50/20/79/358502079.db2.gz	PJEYKDBZIGLGNF-UHFFFAOYSA-N	-1	0	260.268	1.988	40	0		CDABRM
O=C([O-])CC[C@@H]1C(=O)NC(=O)C[C@H]1c1ccccc1	ZINC000001870395	304058459	/nfs/dbraw/zinc/05/84/59/304058459.db2.gz	CPZCCPZAXBNZAE-QWRGUYRKSA-N	-1	0	261.277	1.298	40	0		CDABRM
COc1ccc(C[C@@H](C(=O)[O-])N2CCOCC2)cc1	ZINC000041380478	357033599	/nfs/dbraw/zinc/03/35/99/357033599.db2.gz	IIVRZJHDCOWUBR-ZDUSSCGKSA-N	-1	0	265.309	1.023	40	0		CDABRM
Cc1ccc(Cl)cc1-n1c(=O)[nH]cc(C(=O)[O-])c1=O	ZINC000078401832	358036942	/nfs/dbraw/zinc/03/69/42/358036942.db2.gz	HFJFTBREVRWQID-UHFFFAOYSA-N	-1	0	280.667	1.186	40	0		CDABRM
CNc1ccc(-c2nnc(SCC(=O)[O-])n2C)cc1	ZINC000228979059	358107093	/nfs/dbraw/zinc/10/70/93/358107093.db2.gz	QEITVCLPIPNHNW-UHFFFAOYSA-N	-1	0	278.337	1.701	40	0		CDABRM
COc1cc(NC(=O)c2cnco2)c(C(=O)[O-])cc1OC	ZINC000217689006	359020022	/nfs/dbraw/zinc/02/00/22/359020022.db2.gz	ICXRQCOJDHIJSS-UHFFFAOYSA-N	-1	0	292.247	1.642	40	0		CDABRM
O=C([O-])c1cnc(CN2CCc3ccccc3C2)nc1	ZINC000217344146	358994358	/nfs/dbraw/zinc/99/43/58/358994358.db2.gz	LFHMZAAQGBMQFB-UHFFFAOYSA-N	-1	0	269.304	1.733	40	0		CDABRM
O=C([O-])c1cnc(COc2ccc(F)cc2F)[nH]c1=O	ZINC000217383350	358996868	/nfs/dbraw/zinc/99/68/68/358996868.db2.gz	ZAQQYTGJNWVQLP-UHFFFAOYSA-N	-1	0	282.202	1.325	40	0		CDABRM
CC(C)(C)OC(=O)N[C@]1(C(=O)[O-])C[C@H]1c1c[nH]cn1	ZINC000242649324	364074114	/nfs/dbraw/zinc/07/41/14/364074114.db2.gz	SBAYJNKQEYXXMD-JVXZTZIISA-N	-1	0	267.285	1.245	40	0		CDABRM
O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)NCCc1ccncc1	ZINC000000808160	364240732	/nfs/dbraw/zinc/24/07/32/364240732.db2.gz	WIFRIQKOEKPSMK-STQMWFEESA-N	-1	0	274.320	1.407	40	0		CDABRM
O=C([O-])[C@@H](Cc1ccccc1)NC(=O)c1cnco1	ZINC000217685571	189711336	/nfs/dbraw/zinc/71/13/36/189711336.db2.gz	WPZZZSNMPDYYQX-SNVBAGLBSA-N	-1	0	260.249	1.100	40	0		CDABRM
Cc1nn(C)cc1-c1ccnc2c1c(C(=O)[O-])nn2C	ZINC000072339605	367347615	/nfs/dbraw/zinc/34/76/15/367347615.db2.gz	SZGKOGDDNJXZJD-UHFFFAOYSA-N	-1	0	271.280	1.375	40	0		CDABRM
COc1cccc(-n2nc(C(C)=O)cc(C(=O)[O-])c2=O)c1	ZINC000225966572	189768046	/nfs/dbraw/zinc/76/80/46/189768046.db2.gz	BEMLNSDAIDFSJZ-UHFFFAOYSA-N	-1	0	288.259	1.142	40	0		CDABRM
COCCNC(=O)[C@@H]1CC[C@](C)(C(=O)[O-])C1(C)C	ZINC000006829032	370032296	/nfs/dbraw/zinc/03/22/96/370032296.db2.gz	LXUXXRVHGHNODS-TVQRCGJNSA-N	-1	0	257.330	1.276	40	0		CDABRM
CCCCCCC1=C(C)C(=O)N([C@H](CO)C(=O)[O-])C1=O	ZINC000253394146	373684062	/nfs/dbraw/zinc/68/40/62/373684062.db2.gz	ALMUAEYFHNUOHB-LLVKDONJSA-N	-1	0	283.324	1.088	40	0	biogenic,in-vitro	CDABRM
O=C([O-])c1cnn2c1OC[C@H](OCc1ccccc1)C2	ZINC000256052795	374397259	/nfs/dbraw/zinc/39/72/59/374397259.db2.gz	OSDGQVPCPIEJJB-LLVKDONJSA-N	-1	0	274.276	1.559	40	0		CDABRM
CC(C)(C)c1ncc(CNC(C)(C)[P@@](=O)([O-])O)cn1	ZINC000218773259	375894554	/nfs/dbraw/zinc/89/45/54/375894554.db2.gz	AHBSJHXHCMQFHM-UHFFFAOYSA-N	-1	0	287.300	1.778	40	0		CDABRM
O=C([O-])[C@@H](c1ccc(F)cc1)N1CCS(=O)CC1	ZINC000572048232	377683925	/nfs/dbraw/zinc/68/39/25/377683925.db2.gz	IVHXLDWKOSUUDT-LLVKDONJSA-N	-1	0	271.313	1.016	40	0		CDABRM
CO[C@H](C)CS(=O)(=O)Nc1ccc(F)c(C(=O)[O-])c1	ZINC000278604418	194063967	/nfs/dbraw/zinc/06/39/67/194063967.db2.gz	LHXDDCMESJFHBH-SSDOTTSWSA-N	-1	0	291.300	1.301	40	0		CDABRM
CC(=O)NC(=S)Nc1ccc(C(=O)[O-])c(Cl)c1	ZINC000009140544	184533239	/nfs/dbraw/zinc/53/32/39/184533239.db2.gz	XAEKALMCIIOXEM-UHFFFAOYSA-N	-1	0	272.713	1.871	40	0		CDABRM
O=C([O-])CN1C(=O)S/C(=C/c2ccco2)C1=O	ZINC000001238326	169692433	/nfs/dbraw/zinc/69/24/33/169692433.db2.gz	GNXDWQGWAKJKGC-QPJJXVBHSA-N	-1	0	253.235	1.401	40	0		CDABRM
CCS(=O)(=O)[C@@H]1[C@H](C(=O)[O-])[C@H]1c1ccc(C)cc1	ZINC000242728111	391944867	/nfs/dbraw/zinc/94/48/67/391944867.db2.gz	YTNBYGLMXBSEAY-UTUOFQBUSA-N	-1	0	268.334	1.596	40	0		CDABRM
CN(CC(=O)[O-])S(=O)(=O)c1ccc(C(F)F)cc1	ZINC000262304224	131209795	/nfs/dbraw/zinc/20/97/95/131209795.db2.gz	LSBZCMNLORIWKY-UHFFFAOYSA-N	-1	0	279.264	1.329	40	0		CDABRM
C[C@@H]1CCCN(C(=O)Cc2ccc(O)cc2)[C@H]1C(=O)[O-]	ZINC000235313971	140234696	/nfs/dbraw/zinc/23/46/96/140234696.db2.gz	RRONQWLTAOVUJS-QMTHXVAHSA-N	-1	0	277.320	1.646	40	0		CDABRM
O=C([O-])CN1C(=O)N/C(=C/c2c[nH]c3ccccc23)C1=O	ZINC000004998002	170052087	/nfs/dbraw/zinc/05/20/87/170052087.db2.gz	AFBHJLSTUJIRCV-VZUCSPMQSA-N	-1	0	285.259	1.145	40	0		CDABRM
C[C@H](CCC[C@H]1SC[C@H]2NC(=O)N[C@H]12)C(=O)[O-]	ZINC000005086393	170065477	/nfs/dbraw/zinc/06/54/77/170065477.db2.gz	UBBSLIBPXCFHDN-BGZDPUMWSA-N	-1	0	258.343	1.043	40	0	in-vitro	CDABRM
O=C([O-])[C@@H]1[C@@H](C(=O)Nc2ccc(Cl)cc2)[C@H]2C=C[C@@H]1O2	ZINC000005344474	170087630	/nfs/dbraw/zinc/08/76/30/170087630.db2.gz	ONILNZAYAKHDQE-RHYQMDGZSA-N	-1	0	293.706	1.933	40	0		CDABRM
CCCCCCOCCOCCOCCOCC(=O)[O-]	ZINC000005418133	170096969	/nfs/dbraw/zinc/09/69/69/170096969.db2.gz	CZCCHIDOMPOGLB-UHFFFAOYSA-N	-1	0	292.372	1.718	40	0		CDABRM
CCOc1ccc(CN2C[C@H](C(=O)[O-])CC2=O)cc1	ZINC000008016539	170313412	/nfs/dbraw/zinc/31/34/12/170313412.db2.gz	FYNGTYQDXVLGLR-LLVKDONJSA-N	-1	0	263.293	1.518	40	0		CDABRM
Cc1ccc(-c2nc(C)c(CC(=O)[O-])c(=O)[nH]2)cc1C	ZINC000022124148	171353842	/nfs/dbraw/zinc/35/38/42/171353842.db2.gz	DESLTAVVWXZCKI-UHFFFAOYSA-N	-1	0	272.304	1.989	40	0		CDABRM
C[C@@H]1CN(CCNc2ncccc2C(=O)[O-])[C@H](C)CO1	ZINC000662884593	413653275	/nfs/dbraw/zinc/65/32/75/413653275.db2.gz	WORWNBDWBPWOLA-GHMZBOCLSA-N	-1	0	279.340	1.301	40	0		CDABRM
O=C([O-])COc1ccc2nc3n(c(=O)c2c1)CCCC3	ZINC000041127939	174490250	/nfs/dbraw/zinc/49/02/50/174490250.db2.gz	UCMJFZBXBCJJKV-UHFFFAOYSA-N	-1	0	274.276	1.196	40	0		CDABRM
CO[N-]C(=O)[C@@H](C)Oc1ccccc1Br	ZINC000078998732	177414067	/nfs/dbraw/zinc/41/40/67/177414067.db2.gz	NZDBPVGPJYNJAJ-SSDOTTSWSA-N	-1	0	274.114	1.894	40	0		CDABRM
CC(C)(C)OC(=O)[C@@H](N)Cc1ccc(C(=O)[O-])cc1	ZINC000071863621	278445628	/nfs/dbraw/zinc/44/56/28/278445628.db2.gz	CWURYJUXJKXNGE-NSHDSACASA-N	-1	0	265.309	1.596	40	0		CDABRM
CN1C(=O)CO[C@H](C(=O)[O-])[C@H]1c1ccc(Cl)cc1	ZINC000062702263	289816348	/nfs/dbraw/zinc/81/63/48/289816348.db2.gz	CHLQKLCCRRCNGW-MNOVXSKESA-N	-1	0	269.684	1.323	40	0		CDABRM
O=C1O[C@@H]([C@H]2COC3(CCCCC3)O2)C([O-])=C1O	ZINC000100024689	304695067	/nfs/dbraw/zinc/69/50/67/304695067.db2.gz	SKQBFUVTZXIHLB-XCBNKYQSSA-N	-1	0	256.254	1.315	40	0		CDABRM
Cc1c(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])cnn1C	ZINC000036610954	300979096	/nfs/dbraw/zinc/97/90/96/300979096.db2.gz	AEWHKOIZLDCEAA-DMWPJOQESA-N	-1	0	275.308	1.190	40	0		CDABRM
Cc1cc(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])no1	ZINC000003906528	301361195	/nfs/dbraw/zinc/36/11/95/301361195.db2.gz	LFMZHKZTQKZRET-IFFSRLJSSA-N	-1	0	262.265	1.444	40	0		CDABRM
Cc1cnc(N2CCCC[C@@H]2C(=O)[O-])nc1Cl	ZINC000072203049	302348320	/nfs/dbraw/zinc/34/83/20/302348320.db2.gz	UITHREIUENPVIT-MRVPVSSYSA-N	-1	0	255.705	1.882	40	0		CDABRM
Cn1ncc2c1CCC[C@H]2NC(=O)c1ccccc1C(=O)[O-]	ZINC000072242495	303057831	/nfs/dbraw/zinc/05/78/31/303057831.db2.gz	VHVGUIUARJDAFF-CYBMUJFWSA-N	-1	0	299.330	1.926	40	0		CDABRM
O=C([O-])Cn1ccc(NC(=O)c2ccnc(C3CC3)c2)n1	ZINC000663145171	482465414	/nfs/dbraw/zinc/46/54/14/482465414.db2.gz	OFZDYROJPWKUGN-UHFFFAOYSA-N	-1	0	286.291	1.492	40	0		CDABRM
Cc1ccc(C[C@@H]2SC[C@@H](C(=O)[O-])NC2=O)cc1	ZINC000062712047	524668052	/nfs/dbraw/zinc/66/80/52/524668052.db2.gz	NKEIPURKFXEWBL-QWRGUYRKSA-N	-1	0	265.334	1.222	40	0		CDABRM
O=C([O-])c1ccc(OC[C@@H](O)Cn2ccnc2)cc1	ZINC000027755820	1165707451	/nfs/dbraw/zinc/70/74/51/1165707451.db2.gz	ARCZEYWDJRNYOJ-NSHDSACASA-N	-1	0	262.265	1.021	40	0		CDABRM
Cn1cnc2c1[C@H](C(=O)[O-])CN(Cc1nccs1)C2	ZINC000096067807	185085568	/nfs/dbraw/zinc/08/55/68/185085568.db2.gz	RTGGYZROQZLJNM-MRVPVSSYSA-N	-1	0	278.337	1.061	40	0		CDABRM
CC(=O)Nc1ccc(NC=C2SC([O-])=NC2=O)cc1	ZINC000584906288	342111878	/nfs/dbraw/zinc/11/18/78/342111878.db2.gz	SPUYBLAGXCOEQK-POHAHGRESA-N	-1	0	277.305	1.881	40	0		CDABRM
Cc1cccc(S(=O)(=O)NC2(C(=O)[O-])CC2)c1F	ZINC000282888604	362172244	/nfs/dbraw/zinc/17/22/44/362172244.db2.gz	QLKKTBPWYZXZQG-UHFFFAOYSA-N	-1	0	273.285	1.030	40	0		CDABRM
COc1cc([C@@H]2OC(=O)C[C@H]2C(=O)[O-])cc(OC)c1OC	ZINC000085394905	179049135	/nfs/dbraw/zinc/04/91/35/179049135.db2.gz	HNYDFNDVZVSIKI-PELKAZGASA-N	-1	0	296.275	1.401	40	0		CDABRM
COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])N1[C@@H](C)c1ccccc1	ZINC000027986586	348738256	/nfs/dbraw/zinc/73/82/56/348738256.db2.gz	KHBVCUMHRGKYLE-DRZSPHRISA-N	-1	0	277.320	1.838	40	0		CDABRM
S=C([S-])OCC[NH2+]CCOC(=S)[S-]	ZINC000001593105	355940670	/nfs/dbraw/zinc/94/06/70/355940670.db2.gz	KLJGPNMHZDGOPV-UHFFFAOYSA-N	-1	0	257.427	1.039	40	0		CDABRM
O=C([O-])[C@H](CC(=O)c1ccc(Cl)cc1)N1CCOCC1	ZINC000003207445	355996190	/nfs/dbraw/zinc/99/61/90/355996190.db2.gz	FPXCVLARBMPLMQ-LBPRGKRZSA-N	-1	0	297.738	1.698	40	0		CDABRM
Cc1ccc(S(=O)(=O)NC2(C(=O)[O-])CCCC2)cc1	ZINC000001665204	355945573	/nfs/dbraw/zinc/94/55/73/355945573.db2.gz	QCYDFWDFWBMJDB-UHFFFAOYSA-N	-1	0	283.349	1.671	40	0		CDABRM
C[C@@H](NC(=O)CCC(=O)[O-])c1ccc2c(c1)OCO2	ZINC000032610149	356312223	/nfs/dbraw/zinc/31/22/23/356312223.db2.gz	AJRNSBBBYZDMKA-MRVPVSSYSA-N	-1	0	265.265	1.457	40	0		CDABRM
COc1cc(C(=O)[O-])ccc1OCC(=O)N1CCCC1	ZINC000013419638	356346079	/nfs/dbraw/zinc/34/60/79/356346079.db2.gz	SSJVNZSEQIXNAL-UHFFFAOYSA-N	-1	0	279.292	1.395	40	0		CDABRM
O=C([O-])CC[C@H]1C(=O)NC(=O)C[C@@H]1c1ccccc1	ZINC000001870397	304061670	/nfs/dbraw/zinc/06/16/70/304061670.db2.gz	CPZCCPZAXBNZAE-GHMZBOCLSA-N	-1	0	261.277	1.298	40	0		CDABRM
Cc1scc(C(=O)[N-]S(=O)(=O)[C@@H]2CCOC2)c1C	ZINC000408271530	358831282	/nfs/dbraw/zinc/83/12/82/358831282.db2.gz	XPNGCMYALHUAGY-SECBINFHSA-N	-1	0	289.378	1.213	40	0		CDABRM
Cn1cnc(-c2cccc(NC(=O)c3ncccc3[O-])c2)n1	ZINC000166058805	358934446	/nfs/dbraw/zinc/93/44/46/358934446.db2.gz	XVMYAVGIOSUZHY-UHFFFAOYSA-N	-1	0	295.302	1.835	40	0		CDABRM
CO[C@H]1C(=O)N(c2cccc(Cl)c2)[C@H]1C(=O)[O-]	ZINC000218277538	367261039	/nfs/dbraw/zinc/26/10/39/367261039.db2.gz	IYXCOHKBEBNXBW-RKDXNWHRSA-N	-1	0	255.657	1.155	40	0		CDABRM
O=C([O-])[C@@H]1COC2(CCCCC2)N1C(=O)c1ccco1	ZINC000071979709	304134138	/nfs/dbraw/zinc/13/41/38/304134138.db2.gz	FDPMHPNRYFSXHQ-JTQLQIEISA-N	-1	0	279.292	1.866	40	0		CDABRM
O=C([O-])[C@H]1CCCCN1C(=O)C(F)(F)Br	ZINC000085397111	304176751	/nfs/dbraw/zinc/17/67/51/304176751.db2.gz	USKHXENJBFMALN-RXMQYKEDSA-N	-1	0	286.072	1.440	40	0		CDABRM
Nc1ccc(-c2ccc(O)cc2)cc1S(=O)(=O)[O-]	ZINC000255190167	374266402	/nfs/dbraw/zinc/26/64/02/374266402.db2.gz	VJSGSJKRHJRJFZ-UHFFFAOYSA-N	-1	0	265.290	1.888	40	0		CDABRM
COc1cc(C)cc2c(=O)ccn([C@H](C)C(=O)[O-])c12	ZINC000064874704	374240922	/nfs/dbraw/zinc/24/09/22/374240922.db2.gz	INXIVTGYLUQMFW-SECBINFHSA-N	-1	0	261.277	1.964	40	0		CDABRM
CC(C)(C)NS(=O)(=O)c1ccc(O)c(C(=O)[O-])c1	ZINC000013196805	374658515	/nfs/dbraw/zinc/65/85/15/374658515.db2.gz	YXAYIFFZPIUVDQ-UHFFFAOYSA-N	-1	0	273.310	1.167	40	0		CDABRM
COC(=O)c1cccc(NC(=O)C[C@@H](C)CC(=O)[O-])c1	ZINC000026807865	376378536	/nfs/dbraw/zinc/37/85/36/376378536.db2.gz	BQLKHUJMHQTQFN-SECBINFHSA-N	-1	0	279.292	1.913	40	0		CDABRM
O=C([O-])c1n[nH]c(OC(F)F)c1Br	ZINC000096509304	390529507	/nfs/dbraw/zinc/52/95/07/390529507.db2.gz	BHLHLDAOJOZGRB-UHFFFAOYSA-N	-1	0	256.990	1.472	40	0		CDABRM
CC[C@@H](Oc1cccc(CS(C)(=O)=O)c1)C(=O)[O-]	ZINC000096509676	390530849	/nfs/dbraw/zinc/53/08/49/390530849.db2.gz	CUCJNESGKATOEW-LLVKDONJSA-N	-1	0	272.322	1.473	40	0		CDABRM
O=C([O-])CCn1ccn2nc3c(c2c1=O)CCCCC3	ZINC000096516337	390534411	/nfs/dbraw/zinc/53/44/11/390534411.db2.gz	KJUXHBPSSXWRBK-UHFFFAOYSA-N	-1	0	275.308	1.240	40	0		CDABRM
Cc1ccc([C@H]2N[C@H](C(=O)[O-])Cc3[nH]cnc32)c(C)c1	ZINC000005066923	391722659	/nfs/dbraw/zinc/72/26/59/391722659.db2.gz	BOJXSBWQQAVNHJ-QWHCGFSZSA-N	-1	0	271.320	1.715	40	0		CDABRM
O=C([O-])c1ccc(CC(=O)NC[C@@H]2CCCC[C@@H]2O)cc1	ZINC000263330554	131290051	/nfs/dbraw/zinc/29/00/51/131290051.db2.gz	LXOKTWMMOUIEGN-KBPBESRZSA-N	-1	0	291.347	1.595	40	0		CDABRM
CCS(=O)(=O)[C@@H]1[C@@H](C(=O)[O-])[C@H]1c1ccc2c(c1)OCO2	ZINC000242437281	393070551	/nfs/dbraw/zinc/07/05/51/393070551.db2.gz	BWAUREVUHNCFCV-WOPDTQHZSA-N	-1	0	298.316	1.017	40	0		CDABRM
CC(=O)Nc1cc(C(=O)[O-])cc(NC(C)=O)c1C	ZINC000001687560	169742761	/nfs/dbraw/zinc/74/27/61/169742761.db2.gz	ZXAUYBGQWXDAOO-UHFFFAOYSA-N	-1	0	250.254	1.610	40	0		CDABRM
O=C([O-])c1ccccc1C(=O)NCc1ccccn1	ZINC000001764005	169756241	/nfs/dbraw/zinc/75/62/41/169756241.db2.gz	ZOKKWZQOWIPQKT-UHFFFAOYSA-N	-1	0	256.261	1.710	40	0		CDABRM
COC(=O)C1=C([O-])c2c(C)c(C)sc2N(C)C(=O)C1	ZINC000002034944	169770217	/nfs/dbraw/zinc/77/02/17/169770217.db2.gz	HHODKKGHCMWNKK-QMMMGPOBSA-N	-1	0	281.333	1.703	40	0		CDABRM
CC(C)[C@@H](C(=O)[O-])N(C)C(=O)c1cnc2ccccc2n1	ZINC000005457054	170101063	/nfs/dbraw/zinc/10/10/63/170101063.db2.gz	IDFSTOUGEUIEBE-ZDUSSCGKSA-N	-1	0	287.319	1.811	40	0		CDABRM
O=C([O-])[C@H]1[C@@H]2C=C[C@@H](O2)[C@H]1C(=O)NCc1ccc(F)cc1	ZINC000006332607	170192683	/nfs/dbraw/zinc/19/26/83/170192683.db2.gz	DYQAYSRMGPIASW-XQHKEYJVSA-N	-1	0	291.278	1.096	40	0		CDABRM
O=C1CC[C@H](c2n[n-]c(=S)n2-c2ccccc2)N1	ZINC000008436422	170336391	/nfs/dbraw/zinc/33/63/91/170336391.db2.gz	UVZGIPRWEXCZEW-SECBINFHSA-N	-1	0	260.322	1.881	40	0		CDABRM
O=C([O-])Cc1c[nH]c(=S)n(CCc2ccccc2)c1=O	ZINC000020156324	171038842	/nfs/dbraw/zinc/03/88/42/171038842.db2.gz	OEEWBEJXXDXHPL-UHFFFAOYSA-N	-1	0	290.344	1.776	40	0		CDABRM
CC[C@H](C)[C@@H](NC(=O)Cc1ccccc1F)C(=O)[O-]	ZINC000022223532	171379623	/nfs/dbraw/zinc/37/96/23/171379623.db2.gz	LRYDSOCWTGIMHR-TVQRCGJNSA-N	-1	0	267.300	1.984	40	0		CDABRM
CCN(C[C@@H](O)CS(=O)(=O)[O-])c1cc(C)cc(C)c1	ZINC000033995594	171828795	/nfs/dbraw/zinc/82/87/95/171828795.db2.gz	CDGBQMHYFARRCC-CYBMUJFWSA-N	-1	0	287.381	1.378	40	0		CDABRM
CCOC(=O)c1cccc(NC(=O)/C=C\C(=O)[O-])c1	ZINC000034772758	171866112	/nfs/dbraw/zinc/86/61/12/171866112.db2.gz	SVJJGCXTLUWQTA-SREVYHEPSA-N	-1	0	263.249	1.443	40	0		CDABRM
Nc1cccc(C(=O)Nc2ccc(O)c(C(=O)[O-])c2)c1	ZINC000040469934	174278144	/nfs/dbraw/zinc/27/81/44/174278144.db2.gz	SAFBFWZCKAXMHW-UHFFFAOYSA-N	-1	0	272.260	1.925	40	0		CDABRM
CC(C)n1ncc(I)c1C(=O)[O-]	ZINC000072339299	176371465	/nfs/dbraw/zinc/37/14/65/176371465.db2.gz	LOYFTWJICSUEDW-UHFFFAOYSA-N	-1	0	280.065	1.767	40	0		CDABRM
Cc1n[nH]cc1C(=O)N1CCC(CC(=O)[O-])CC1	ZINC000072354402	176374600	/nfs/dbraw/zinc/37/46/00/176374600.db2.gz	BNSCOGWSKDOOOL-UHFFFAOYSA-N	-1	0	251.286	1.045	40	0		CDABRM
Cc1cc(S(=O)(=O)[N-]c2nnc[nH]2)c(C)cc1Cl	ZINC000072414448	176399120	/nfs/dbraw/zinc/39/91/20/176399120.db2.gz	MFQYDOOMALPFCK-UHFFFAOYSA-N	-1	0	286.744	1.876	40	0		CDABRM
C[C@]12C=C[C@H](O1)[C@@H]1C(=O)N(c3ccc(C(=O)[O-])cc3)C(=O)[C@@H]12	ZINC000000432475	300856765	/nfs/dbraw/zinc/85/67/65/300856765.db2.gz	JTGVFHJDSDWBNF-PVTKRXDGSA-N	-1	0	299.282	1.218	40	0		CDABRM
Cc1cc(-c2c([O-])c3ccccc3n(C)c2=O)n[nH]1	ZINC000104815879	301033944	/nfs/dbraw/zinc/03/39/44/301033944.db2.gz	AUANONTXMHOQSJ-UHFFFAOYSA-N	-1	0	255.277	1.943	40	0		CDABRM
CCN(CC(F)F)S(=O)(=O)c1ccc(C(=O)[O-])nc1	ZINC000569481207	316791613	/nfs/dbraw/zinc/79/16/13/316791613.db2.gz	ADRZFRHNTFKDET-UHFFFAOYSA-N	-1	0	294.279	1.056	40	0		CDABRM
O=C([O-])c1ccnn(-c2ccccc2Cl)c1=O	ZINC000225790753	333182429	/nfs/dbraw/zinc/18/24/29/333182429.db2.gz	XGJBEHFCEQAACW-UHFFFAOYSA-N	-1	0	250.641	1.584	40	0		CDABRM
O=C([O-])[C@@H]1CS[C@H](Cc2cccc(F)c2)C(=O)N1	ZINC000062712219	526288965	/nfs/dbraw/zinc/28/89/65/526288965.db2.gz	FHDRMGXAVGKUPH-VHSXEESVSA-N	-1	0	269.297	1.053	40	0		CDABRM
CC(=O)CCC/C=C/[C@@H]1C[C@H](O)C[C@H]1[C@@H](O)/C=C/C(=O)[O-]	ZINC000252507077	824822961	/nfs/dbraw/zinc/82/29/61/824822961.db2.gz	XOBLMJHTXIQOHS-TZUSGGHRSA-N	-1	0	296.363	1.691	40	0	biogenic,in-vitro	CDABRM
CCn1nc(C)cc1C(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1	ZINC000405339297	539087748	/nfs/dbraw/zinc/08/77/48/539087748.db2.gz	LXKRSHZQPJNGHF-LLVKDONJSA-N	-1	0	291.351	1.538	40	0		CDABRM
CCN1C(=O)N[C@H]2C[C@]1(C)Oc1ccc(C(=O)[O-])cc12	ZINC000096530413	342166146	/nfs/dbraw/zinc/16/61/46/342166146.db2.gz	WBOBJACHLFUWDT-HZMBPMFUSA-N	-1	0	276.292	1.970	40	0		CDABRM
O=C([O-])CONC(=O)c1nc2ccccc2s1	ZINC000230828102	345087804	/nfs/dbraw/zinc/08/78/04/345087804.db2.gz	VAVBIMBNKDMDRV-UHFFFAOYSA-N	-1	0	252.251	1.042	40	0		CDABRM
CCOC(=O)C[C@]1(C)N[C@H](C(=O)[O-])C(C)(C)S1	ZINC000001707339	355948569	/nfs/dbraw/zinc/94/85/69/355948569.db2.gz	MZUPUIOJKDNYMB-LDYMZIIASA-N	-1	0	261.343	1.224	40	0		CDABRM
CC(=O)O[C@H](C(=O)N[C@@H](C(=O)[O-])C(C)C)c1ccccc1	ZINC000001707419	355948930	/nfs/dbraw/zinc/94/89/30/355948930.db2.gz	WBASBTDYIIRCIK-OLZOCXBDSA-N	-1	0	293.319	1.516	40	0		CDABRM
COC(=O)[C@@]1(C)C[C@H](C(=O)[O-])[C@H](c2cccc(F)c2)N1C	ZINC000008730146	356153806	/nfs/dbraw/zinc/15/38/06/356153806.db2.gz	XMOABZRGKMLBAQ-SLEUVZQESA-N	-1	0	295.310	1.835	40	0		CDABRM
CC(C)CNS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1	ZINC000013075867	356336666	/nfs/dbraw/zinc/33/66/66/356336666.db2.gz	PHDJSRRMLUZUAC-UHFFFAOYSA-N	-1	0	275.301	1.458	40	0		CDABRM
O=C([O-])CS[C@H]1CC(=O)N(c2ccccc2F)C1=O	ZINC000016899859	356448750	/nfs/dbraw/zinc/44/87/50/356448750.db2.gz	PIPUMQQNTYTHIB-VIFPVBQESA-N	-1	0	283.280	1.275	40	0		CDABRM
Cc1cc(SCC(=O)N2CCCC2)[nH]c(=S)n1	ZINC000016283646	356435592	/nfs/dbraw/zinc/43/55/92/356435592.db2.gz	BZDFCYWGIANLLF-UHFFFAOYSA-N	-1	0	269.395	1.788	40	0		CDABRM
Cc1ccc(C)c([C@@H]2N[C@@H](C(=O)[O-])Cc3[nH]cnc32)c1	ZINC000096300026	358731508	/nfs/dbraw/zinc/73/15/08/358731508.db2.gz	GIMWETWRDANASG-OLZOCXBDSA-N	-1	0	271.320	1.715	40	0		CDABRM
CC[C@@H](C)NS(=O)(=O)c1ccc(NC)c(C(=O)[O-])c1	ZINC000098141557	358814652	/nfs/dbraw/zinc/81/46/52/358814652.db2.gz	ROMQVVQGEDLUIG-MRVPVSSYSA-N	-1	0	286.353	1.503	40	0		CDABRM
COc1cc(N2N=C(C(=O)[O-])CC2=O)c(OC)cc1Cl	ZINC000217713214	359022275	/nfs/dbraw/zinc/02/22/75/359022275.db2.gz	XOUUYPFUEKUJEQ-UHFFFAOYSA-N	-1	0	298.682	1.947	40	0		CDABRM
CC[C@H](C)NC(=O)c1c(O)nc2ccc(C)cn2c1=O	ZINC000226821850	364089105	/nfs/dbraw/zinc/08/91/05/364089105.db2.gz	LJQGCKNMBNEUND-VIFPVBQESA-N	-1	0	275.308	1.237	40	0		CDABRM
Cc1nonc1[N-]S(=O)(=O)c1ccc(F)cc1C	ZINC000137265612	364544464	/nfs/dbraw/zinc/54/44/64/364544464.db2.gz	YIBCUEMYQBCCKU-UHFFFAOYSA-N	-1	0	271.273	1.626	40	0		CDABRM
CCCCn1cc(Br)c2[n-][nH]c(=N)c2c1=O	ZINC000575422472	364838865	/nfs/dbraw/zinc/83/88/65/364838865.db2.gz	HCIHICQPGXMQJH-UHFFFAOYSA-N	-1	0	285.145	1.700	40	0		CDABRM
O=C([O-])C1CCN(C(=O)c2cnn(-c3ccccc3)c2)CC1	ZINC000225008014	189743201	/nfs/dbraw/zinc/74/32/01/189743201.db2.gz	YSHWHYIVAXMQPX-UHFFFAOYSA-N	-1	0	299.330	1.809	40	0		CDABRM
COc1ccc(-c2nn3c(n[n-]c3=S)[nH]c2=O)cc1	ZINC000027546516	373749720	/nfs/dbraw/zinc/74/97/20/373749720.db2.gz	VZMTZJKAMTWLHO-UHFFFAOYSA-N	-1	0	275.293	1.189	40	0		CDABRM
Cn1nccc1C(=O)N[C@@H](CC(=O)[O-])c1cccs1	ZINC000225450753	374427659	/nfs/dbraw/zinc/42/76/59/374427659.db2.gz	ULUOUWUXXOTBQA-QMMMGPOBSA-N	-1	0	279.321	1.427	40	0		CDABRM
Cn1nccc1C(=O)N[C@H](CC(=O)[O-])c1cccs1	ZINC000225450785	374428064	/nfs/dbraw/zinc/42/80/64/374428064.db2.gz	ULUOUWUXXOTBQA-MRVPVSSYSA-N	-1	0	279.321	1.427	40	0		CDABRM
O=C([O-])C1CN(c2cncc(Cc3ccccc3)n2)C1	ZINC000257198029	190009932	/nfs/dbraw/zinc/00/99/32/190009932.db2.gz	QREOUFQKTJNYPU-UHFFFAOYSA-N	-1	0	269.304	1.588	40	0		CDABRM
O=C([O-])CN1N=C(c2ccc3c(c2)CCC3)[C@@H]2C[C@@H]2C1=O	ZINC000217834218	375746198	/nfs/dbraw/zinc/74/61/98/375746198.db2.gz	TXCIPFWPKPYAGI-OLZOCXBDSA-N	-1	0	284.315	1.442	40	0		CDABRM
O=C(NC[C@H]1CCCO1)c1cnc2ccccc2c1O	ZINC000003927294	375814916	/nfs/dbraw/zinc/81/49/16/375814916.db2.gz	QRVAABUOQNSSAE-SNVBAGLBSA-N	-1	0	272.304	1.437	40	0		CDABRM
CCn1ncc(S(=O)(=O)[N-]c2ccccc2O)c1F	ZINC000252502581	377291251	/nfs/dbraw/zinc/29/12/51/377291251.db2.gz	URBVSCIEQXIZBH-UHFFFAOYSA-N	-1	0	285.300	1.549	40	0		CDABRM
NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cn2)cc1	ZINC000069675820	378517933	/nfs/dbraw/zinc/51/79/33/378517933.db2.gz	ZXSVPRNUBBWYEL-UHFFFAOYSA-N	-1	0	295.295	1.120	40	0		CDABRM
O=C([O-])c1cccc(CNC(=O)c2ccnc(C3CC3)n2)c1	ZINC000344435858	379678640	/nfs/dbraw/zinc/67/86/40/379678640.db2.gz	CQBQSUBRGFXQKI-UHFFFAOYSA-N	-1	0	297.314	1.982	40	0		CDABRM
O=C([O-])c1cnc(NC2CCCCCC2)[nH]c1=O	ZINC000217674042	304278124	/nfs/dbraw/zinc/27/81/24/304278124.db2.gz	SFGJMQMWFUFIDJ-UHFFFAOYSA-N	-1	0	251.286	1.603	40	0		CDABRM
CC(C)[C@@H](Sc1nc(N)nc2nc[nH]c21)C(=O)[O-]	ZINC000008582220	390182790	/nfs/dbraw/zinc/18/27/90/390182790.db2.gz	UDODMBXWDXHYDZ-ZCFIWIBFSA-N	-1	0	267.314	1.136	40	0	in-vitro	CDABRM
O=C([O-])[C@H]1CCN(c2cc3c(nn2)CCCCC3)C1	ZINC000096516138	390534722	/nfs/dbraw/zinc/53/47/22/390534722.db2.gz	KIOQXTXPGFMETJ-NSHDSACASA-N	-1	0	261.325	1.656	40	0		CDABRM
CC(C)(C)Cn1cc(N2C[C@H](C(=O)[O-])CC2=O)cn1	ZINC000096528897	390539875	/nfs/dbraw/zinc/53/98/75/390539875.db2.gz	ZVGRUQACYIEZGB-SECBINFHSA-N	-1	0	265.313	1.367	40	0		CDABRM
O=C([O-])[C@H]1Cc2[nH]cnc2[C@H](c2ccc(F)cc2F)N1	ZINC000005066877	391723057	/nfs/dbraw/zinc/72/30/57/391723057.db2.gz	ULACLSPXYNHYDS-MNOVXSKESA-N	-1	0	279.246	1.376	40	0		CDABRM
Cc1nc(C(C)(C)NC(=O)c2ccc(C(=O)[O-])cc2)no1	ZINC000262335505	131212911	/nfs/dbraw/zinc/21/29/11/131212911.db2.gz	VXZIWJDJWHZAOJ-UHFFFAOYSA-N	-1	0	289.291	1.741	40	0		CDABRM
CC(C)[C@@H]([NH2+]Cc1ccccc1OCC(=O)[O-])C(=O)[O-]	ZINC000062716869	392802249	/nfs/dbraw/zinc/80/22/49/392802249.db2.gz	HICQQXDTSXBBMP-CYBMUJFWSA-N	-1	0	281.308	1.349	40	0		CDABRM
Cc1[nH]c(=O)n(CCC2=CCCCC2)c(=O)c1CC(=O)[O-]	ZINC000020156465	171039223	/nfs/dbraw/zinc/03/92/23/171039223.db2.gz	YIAWJIVITYHCTB-UHFFFAOYSA-N	-1	0	292.335	1.363	40	0		CDABRM
CC(C)CNc1ccc(S(N)(=O)=O)cc1C(=O)[O-]	ZINC000037302288	173108395	/nfs/dbraw/zinc/10/83/95/173108395.db2.gz	GFTBNSPRHDXQJG-UHFFFAOYSA-N	-1	0	272.326	1.100	40	0		CDABRM
C=Cc1ccc(CSc2n[nH]c(=O)[n-]c2=O)cc1	ZINC000071405399	176156011	/nfs/dbraw/zinc/15/60/11/176156011.db2.gz	JXAXOBUAZYMYOQ-UHFFFAOYSA-N	-1	0	261.306	1.806	40	0		CDABRM
O=S(=O)([N-]c1cccc[n+]1[O-])c1ccccc1	ZINC000005485448	304767239	/nfs/dbraw/zinc/76/72/39/304767239.db2.gz	MEHZLGGQJKOUFF-UHFFFAOYSA-N	-1	0	250.279	1.121	40	0		CDABRM
Cc1cc(C(=O)[O-])c(=O)n(Cc2cccc(F)c2)n1	ZINC000225791631	333182381	/nfs/dbraw/zinc/18/23/81/333182381.db2.gz	RNAGZKIHPSHCRE-UHFFFAOYSA-N	-1	0	262.240	1.437	40	0		CDABRM
C[C@H](CC(=O)[O-])NC(=O)c1nn(C)c2ccccc21	ZINC000231892390	482699782	/nfs/dbraw/zinc/69/97/82/482699782.db2.gz	NDLYSWCQNJTVGD-MRVPVSSYSA-N	-1	0	261.281	1.166	40	0		CDABRM
CC(C)C(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1	ZINC000263011550	519477861	/nfs/dbraw/zinc/47/78/61/519477861.db2.gz	XFRWMJQWMOAOJE-QWHCGFSZSA-N	-1	0	261.321	1.969	40	0		CDABRM
CCn1nc(C)cc1C(=O)N(CCC(=O)[O-])C(C)C	ZINC000090122888	538430822	/nfs/dbraw/zinc/43/08/22/538430822.db2.gz	MPGQTKMRHQEEAX-UHFFFAOYSA-N	-1	0	267.329	1.537	40	0		CDABRM
Cc1cc(C)c(CC(=O)Nc2c[nH]nc2C(=O)[O-])s1	ZINC000902226420	624575048	/nfs/dbraw/zinc/57/50/48/624575048.db2.gz	KIFSHIKVLGEUFB-UHFFFAOYSA-N	-1	0	279.321	1.967	40	0		CDABRM
CCOC1(CC(=O)[O-])CN(C(=O)OC(C)(C)C)C1	ZINC000225689498	1161488430	/nfs/dbraw/zinc/48/84/30/1161488430.db2.gz	QFKXCSJAIPUGDL-UHFFFAOYSA-N	-1	0	259.302	1.487	40	0		CDABRM
Cc1nn(C)c(C)c1CNC(=O)[C@@H]1CCCC[C@H]1C(=O)[O-]	ZINC000032610726	1165725987	/nfs/dbraw/zinc/72/59/87/1165725987.db2.gz	ZGMPFRUTWZKQIV-VXGBXAGGSA-N	-1	0	293.367	1.544	40	0		CDABRM
CC(C)(C)OC(=O)NCc1cncc(N)c1C(=O)[O-]	ZINC000095768960	185028340	/nfs/dbraw/zinc/02/83/40/185028340.db2.gz	GRLCCRWEJDICMG-UHFFFAOYSA-N	-1	0	267.285	1.387	40	0		CDABRM
O=C([O-])[C@H]1CCC(=O)N1Cc1ccc(OC(F)F)cc1	ZINC000096031987	185067730	/nfs/dbraw/zinc/06/77/30/185067730.db2.gz	AGEVEQHGIARMMX-SNVBAGLBSA-N	-1	0	285.246	1.864	40	0		CDABRM
Cn1ccc(S(=O)(=O)[N-][C@](C)(C2CC2)C(F)(F)F)n1	ZINC000330013576	362120616	/nfs/dbraw/zinc/12/06/16/362120616.db2.gz	ADHWVEGSMZMWLS-SECBINFHSA-N	-1	0	297.302	1.429	40	0		CDABRM
CCCCn1c(S[C@H](C)C(=O)[O-])nc2c1ncnc2N	ZINC000085390649	179047607	/nfs/dbraw/zinc/04/76/07/179047607.db2.gz	YRNFYJJEDAXQHQ-SSDOTTSWSA-N	-1	0	295.368	1.774	40	0		CDABRM
CNc1nn(-c2ccc(Cl)cc2)nc1C(=O)[O-]	ZINC000256048386	350908855	/nfs/dbraw/zinc/90/88/55/350908855.db2.gz	SRAINKVMCUDVJQ-UHFFFAOYSA-N	-1	0	252.661	1.661	40	0		CDABRM
C[C@](O)(C(=O)[O-])c1c(F)c(F)c(F)c(F)c1F	ZINC000075866496	356356741	/nfs/dbraw/zinc/35/67/41/356356741.db2.gz	WUZCIOPGQKBZLG-SECBINFHSA-N	-1	0	256.126	1.674	40	0		CDABRM
O=C([O-])[C@@H]1[C@@H](C(=O)Nc2ccccc2)[C@H]2CC[C@@H]1O2	ZINC000016953039	356449256	/nfs/dbraw/zinc/44/92/56/356449256.db2.gz	MFUCMTIVYRQXAH-RHYQMDGZSA-N	-1	0	261.277	1.503	40	0		CDABRM
CCS(=O)(=O)N1c2ccc(C(=O)[O-])cc2C[C@H]1C	ZINC000034776362	356819876	/nfs/dbraw/zinc/81/98/76/356819876.db2.gz	YNCVMQYSSZNZBU-MRVPVSSYSA-N	-1	0	269.322	1.486	40	0		CDABRM
Cc1cc(N2CCC[C@H](C(=O)[O-])C2)nc(C2CC2)n1	ZINC000096516937	357522070	/nfs/dbraw/zinc/52/20/70/357522070.db2.gz	KNRUJCYINFCDIT-NSHDSACASA-N	-1	0	261.325	1.963	40	0		CDABRM
C[C@@H]1CC[C@@H]2C(C)(C)C[C@@](C)(CO)[C@]2(O)[C@@H]1C(=O)[O-]	ZINC000077257427	358015527	/nfs/dbraw/zinc/01/55/27/358015527.db2.gz	CAKZQSFFOAEEET-HFLGISGGSA-N	-1	0	270.369	1.893	40	0	biogenic,in-vitro	CDABRM
CCCCNC(=O)CSC1=NC(=O)C(C(C)C)C([O-])=N1	ZINC000013453703	366468598	/nfs/dbraw/zinc/46/85/98/366468598.db2.gz	FYQYBBOIYNXAMY-UHFFFAOYSA-N	-1	0	299.396	1.607	40	0		CDABRM
O=c1[n-]c(C(F)(F)F)nc2c1nnn2Cc1ccccc1	ZINC000013471088	366469893	/nfs/dbraw/zinc/46/98/93/366469893.db2.gz	KKNDKUMPPJBEQT-UHFFFAOYSA-N	-1	0	295.224	1.994	40	0		CDABRM
O=C([O-])CS[C@@H]1CC(=O)N(c2ccccc2F)C1=O	ZINC000100855987	358836093	/nfs/dbraw/zinc/83/60/93/358836093.db2.gz	PIPUMQQNTYTHIB-SECBINFHSA-N	-1	0	283.280	1.275	40	0		CDABRM
CCCNS(=O)(=O)c1cc(C(=O)[O-])ccc1NC	ZINC000217701774	359020932	/nfs/dbraw/zinc/02/09/32/359020932.db2.gz	BLLGFFCWYWILRF-UHFFFAOYSA-N	-1	0	272.326	1.115	40	0		CDABRM
CCOc1cccc([C@@H]2OC(=O)C[C@@H]2C(=O)[O-])c1	ZINC000085394589	359069944	/nfs/dbraw/zinc/06/99/44/359069944.db2.gz	MZQXXDVZFYRDML-JQWIXIFHSA-N	-1	0	250.250	1.774	40	0		CDABRM
CC(C)CSc1nnc([N-]S(C)(=O)=O)s1	ZINC000222599437	359357666	/nfs/dbraw/zinc/35/76/66/359357666.db2.gz	YRPSCQDQYFNVCH-UHFFFAOYSA-N	-1	0	267.401	1.658	40	0		CDABRM
COC(=O)Cc1c(C)nc(C(Cl)(Cl)Cl)[n-]c1=O	ZINC000225011930	359543995	/nfs/dbraw/zinc/54/39/95/359543995.db2.gz	VQMDPHAYWRGKSF-UHFFFAOYSA-N	-1	0	299.541	1.621	40	0		CDABRM
Cc1ncc(C(=O)N[C@@H](CC(C)C)C(=O)[O-])s1	ZINC000178019259	189086538	/nfs/dbraw/zinc/08/65/38/189086538.db2.gz	PEQFJNMTXLTHEL-QMMMGPOBSA-N	-1	0	256.327	1.681	40	0		CDABRM
O=C([O-])[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)NCc1ccccn1	ZINC000138955991	304155383	/nfs/dbraw/zinc/15/53/83/304155383.db2.gz	XQNAZWMFMIRORX-JULQROHOSA-N	-1	0	272.304	1.221	40	0		CDABRM
CCC(CC)(CNC(=O)c1ccnn1C)C(=O)[O-]	ZINC000137636445	371211686	/nfs/dbraw/zinc/21/16/86/371211686.db2.gz	NSKILYORWZKBTJ-UHFFFAOYSA-N	-1	0	253.302	1.041	40	0		CDABRM
O=C([O-])[C@H]1C2CCC(CC2)[C@@H]1C(=O)N[C@@H]1CCSC1=O	ZINC000017024284	304174284	/nfs/dbraw/zinc/17/42/84/304174284.db2.gz	SBGCWHCFBZJHPT-QIBXXNMASA-N	-1	0	297.376	1.272	40	0		CDABRM
O=C([O-])CNC(=O)[C@H]1C[C@H]1c1ccc(F)cc1F	ZINC000225456900	374434391	/nfs/dbraw/zinc/43/43/91/374434391.db2.gz	RPQXTRWDRLOWAS-IUCAKERBSA-N	-1	0	255.220	1.269	40	0		CDABRM
COc1ccc(-c2cc3c(=O)n(CC(=O)[O-])ccn3n2)cc1	ZINC000070459058	374664484	/nfs/dbraw/zinc/66/44/84/374664484.db2.gz	MRPFWWCNYUWZCW-UHFFFAOYSA-N	-1	0	299.286	1.256	40	0		CDABRM
CO[N-]C(=O)[C@H](C)Oc1ccccc1Br	ZINC000078998725	374753331	/nfs/dbraw/zinc/75/33/31/374753331.db2.gz	NZDBPVGPJYNJAJ-ZETCQYMHSA-N	-1	0	274.114	1.894	40	0		CDABRM
CCn1ccc(C(=O)N2CCC[C@@](C)(C(=O)[O-])C2)n1	ZINC000257292806	190027454	/nfs/dbraw/zinc/02/74/54/190027454.db2.gz	QNAIIHYPOKBYDM-CYBMUJFWSA-N	-1	0	265.313	1.230	40	0		CDABRM
CN1C(=O)CC[C@@H](C(=O)[O-])[C@H]1c1ccc(F)cc1	ZINC000070272573	377046669	/nfs/dbraw/zinc/04/66/69/377046669.db2.gz	RRNIXCZCEGERKE-ZYHUDNBSSA-N	-1	0	251.257	1.820	40	0		CDABRM
CCN(CC)c1ccc(N2C[C@H](C(=O)[O-])CC2=O)cc1	ZINC000057326523	377771633	/nfs/dbraw/zinc/77/16/33/377771633.db2.gz	TVIKBCRNMFEWKL-LLVKDONJSA-N	-1	0	276.336	1.970	40	0		CDABRM
Cc1cc(C)n(C[C@@H](NC(=O)OC(C)(C)C)C(=O)[O-])n1	ZINC000002530203	377880774	/nfs/dbraw/zinc/88/07/74/377880774.db2.gz	FKUWTBLRKYQJPN-SNVBAGLBSA-N	-1	0	283.328	1.478	40	0		CDABRM
O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@@H]1C(=O)Nc1ccncc1	ZINC000005332435	304211083	/nfs/dbraw/zinc/21/10/83/304211083.db2.gz	KAPJBKOPZKERBF-QCZKYFFMSA-N	-1	0	258.277	1.543	40	0		CDABRM
O=C([O-])c1ccccc1C[N@H+]1CCC[C@H](C(=O)[O-])C1	ZINC000005022973	304269461	/nfs/dbraw/zinc/26/94/61/304269461.db2.gz	QZSWXOMWULLHQN-NSHDSACASA-N	-1	0	263.293	1.681	40	0	in-vitro	CDABRM
CCn1ncc(Br)c1-c1n[n-]c(=N)s1	ZINC000408717649	256787075	/nfs/dbraw/zinc/78/70/75/256787075.db2.gz	MMEGAYJUPQTGNR-UHFFFAOYSA-N	-1	0	274.147	1.597	40	0		CDABRM
O=Cc1cc(F)cc(I)c1[O-]	ZINC000225271362	296443304	/nfs/dbraw/zinc/44/33/04/296443304.db2.gz	ZINBFZRDAXUHOV-UHFFFAOYSA-N	-1	0	266.009	1.948	40	0		CDABRM
C[C@H]1CCc2nnc(N3CCC[C@H](C(=O)[O-])C3)cc2C1	ZINC000096530189	390541576	/nfs/dbraw/zinc/54/15/76/390541576.db2.gz	LNFIFQHEMHZVCP-QWRGUYRKSA-N	-1	0	275.352	1.902	40	0		CDABRM
Cc1ccc([C@H]2N[C@@H](C(=O)[O-])Cc3[nH]cnc32)c(C)c1	ZINC000005066913	391722845	/nfs/dbraw/zinc/72/28/45/391722845.db2.gz	BOJXSBWQQAVNHJ-CHWSQXEVSA-N	-1	0	271.320	1.715	40	0		CDABRM
CCS(=O)(=O)[C@@H]1[C@H](c2ccccc2)[C@@]1(COC)C(=O)[O-]	ZINC000218028394	130765165	/nfs/dbraw/zinc/76/51/65/130765165.db2.gz	BNQDVPWQAXSPKA-OUCADQQQSA-N	-1	0	298.360	1.305	40	0		CDABRM
Cc1noc([C@@H](C)NC(=O)NC(C)(C)C)c1C(=O)[O-]	ZINC000096297089	393174188	/nfs/dbraw/zinc/17/41/88/393174188.db2.gz	SHKDRSXXMGUMOE-SSDOTTSWSA-N	-1	0	269.301	1.840	40	0	biogenic,in-vitro	CDABRM
Cc1c(S(=O)(=O)[N-]C(=O)CC2=CCCCC2)cnn1C	ZINC000408479882	160787793	/nfs/dbraw/zinc/78/77/93/160787793.db2.gz	GQUWMMLXSIAYTP-UHFFFAOYSA-N	-1	0	297.380	1.424	40	0		CDABRM
CCN(CC)C(=O)Cc1[n-][nH]c(=O)c1C(=O)N(CC)CC	ZINC000005501867	170105128	/nfs/dbraw/zinc/10/51/28/170105128.db2.gz	NJPDYDRNQOFFTM-UHFFFAOYSA-N	-1	0	296.371	1.008	40	0		CDABRM
Nc1cccc(CSc2nc3c(nc[nH]c3=O)[nH]2)c1	ZINC000008627624	170343159	/nfs/dbraw/zinc/34/31/59/170343159.db2.gz	VTLVXKSVKAJAOF-UHFFFAOYSA-N	-1	0	273.321	1.933	40	0		CDABRM
COc1ccc(C(=O)[O-])cc1NC(=S)NC(=O)C(C)C	ZINC000009064112	170362874	/nfs/dbraw/zinc/36/28/74/170362874.db2.gz	GCDRIERKUXUGGB-UHFFFAOYSA-N	-1	0	296.348	1.862	40	0		CDABRM
COc1ccccc1N1C(=O)C[C@@H](SCC(=O)[O-])C1=O	ZINC000016899803	170714122	/nfs/dbraw/zinc/71/41/22/170714122.db2.gz	SWWBXFOJGYARJJ-SNVBAGLBSA-N	-1	0	295.316	1.145	40	0		CDABRM
CCOc1ccc(/C=C/C(=O)NCC(=O)[O-])cc1OC	ZINC000033441029	171801336	/nfs/dbraw/zinc/80/13/36/171801336.db2.gz	VLXIMXLXSIAEQZ-FNORWQNLSA-N	-1	0	279.292	1.308	40	0		CDABRM
CCOc1ccc(/C=C/C(=O)NCC(=O)[O-])cc1OCC	ZINC000033443948	171802990	/nfs/dbraw/zinc/80/29/90/171802990.db2.gz	MKZKNPCFIAGTNG-SOFGYWHQSA-N	-1	0	293.319	1.698	40	0		CDABRM
Cc1cccc(C)c1CS(=O)(=O)N1CC[C@@H]1C(=O)[O-]	ZINC000654777192	413703118	/nfs/dbraw/zinc/70/31/18/413703118.db2.gz	JCSMVXHKSSNSCL-GFCCVEGCSA-N	-1	0	283.349	1.292	40	0		CDABRM
COc1ccc(Cn2cnc(C(=O)[O-])c2)cc1F	ZINC000071571822	176197995	/nfs/dbraw/zinc/19/79/95/176197995.db2.gz	BPLSEAXZKIFPGO-UHFFFAOYSA-N	-1	0	250.229	1.777	40	0		CDABRM
Cc1noc(C)c1C(=O)N[C@@H](C(=O)[O-])c1ccsc1	ZINC000522015701	270573106	/nfs/dbraw/zinc/57/31/06/270573106.db2.gz	ZUEDHHQJCIFFIK-SNVBAGLBSA-N	-1	0	280.305	1.909	40	0		CDABRM
CC(=O)Nc1ccc2c(n1)[nH]c(=O)c(C)c2C(=O)[O-]	ZINC000008665714	278205463	/nfs/dbraw/zinc/20/54/63/278205463.db2.gz	QBFGBGUKUXBWOQ-UHFFFAOYSA-N	-1	0	261.237	1.300	40	0		CDABRM
Cc1ccc(CC(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)o1	ZINC000540674350	289456238	/nfs/dbraw/zinc/45/62/38/289456238.db2.gz	OTYIHWZTPZRERV-GFCCVEGCSA-N	-1	0	277.320	1.844	40	0		CDABRM
Cc1ccccc1-c1cc[nH]c2nc(=O)[n-]c(=O)c1-2	ZINC000010157256	302074122	/nfs/dbraw/zinc/07/41/22/302074122.db2.gz	HMEJHXNORZCGNA-UHFFFAOYSA-N	-1	0	253.261	1.587	40	0		CDABRM
C[S@](=O)Cc1ccccc1NC(=O)c1ncccc1[O-]	ZINC000153776797	323211769	/nfs/dbraw/zinc/21/17/69/323211769.db2.gz	AFQWWJPMNGKRPM-HXUWFJFHSA-N	-1	0	290.344	1.918	40	0		CDABRM
Cc1cc(C(=O)N(CCC(=O)[O-])CC2CC2)ncn1	ZINC000678976268	483239034	/nfs/dbraw/zinc/23/90/34/483239034.db2.gz	RGPIVHYKFLQYOB-UHFFFAOYSA-N	-1	0	263.297	1.112	40	0		CDABRM
COC1(CC(=O)N2CCCC[C@@H]2C(=O)[O-])CCC1	ZINC000234571600	522575504	/nfs/dbraw/zinc/57/55/04/522575504.db2.gz	YFJKMZUXNYWRDI-SNVBAGLBSA-N	-1	0	255.314	1.411	40	0		CDABRM
O=C([O-])[C@H]1CCCCN1C(=O)CCC1CCOCC1	ZINC000136534526	601627386	/nfs/dbraw/zinc/62/73/86/601627386.db2.gz	AMOXPCHBYKXADM-GFCCVEGCSA-N	-1	0	269.341	1.659	40	0		CDABRM
C[C@@H](Cn1ccc(C(=O)OC(C)(C)C)n1)C(=O)[O-]	ZINC000408716026	365728835	/nfs/dbraw/zinc/72/88/35/365728835.db2.gz	ICIKPXLFTNPLFD-QMMMGPOBSA-N	-1	0	254.286	1.559	40	0		CDABRM
CCc1ccc(CS(=O)(=O)N(C)[C@H](C)C(=O)[O-])cc1	ZINC000262384388	362800227	/nfs/dbraw/zinc/80/02/27/362800227.db2.gz	HLZJDTPCFLATLJ-SNVBAGLBSA-N	-1	0	285.365	1.484	40	0		CDABRM
Cc1cc2c(cc1C)CN(CC(=O)NCCC(=O)[O-])C2	ZINC000008367528	348734146	/nfs/dbraw/zinc/73/41/46/348734146.db2.gz	HXKRGGQULSVQGL-UHFFFAOYSA-N	-1	0	276.336	1.210	40	0		CDABRM
CSCC[C@H](NC(=O)/C=C/c1ccco1)C(=O)[O-]	ZINC000002506589	355971635	/nfs/dbraw/zinc/97/16/35/355971635.db2.gz	KHFWWYXHMBWCPB-YEZKRMTDSA-N	-1	0	269.322	1.615	40	0		CDABRM
CCCc1cc(CS(=O)(=O)CCC(=O)[O-])on1	ZINC000012398796	356681243	/nfs/dbraw/zinc/68/12/43/356681243.db2.gz	SRMBIRCOBFITQG-UHFFFAOYSA-N	-1	0	261.299	1.017	40	0		CDABRM
COc1cccc(-c2nc(N)cc(SCC(=O)[O-])n2)c1	ZINC000049470041	357217508	/nfs/dbraw/zinc/21/75/08/357217508.db2.gz	CXQUBPLGNPTOBX-UHFFFAOYSA-N	-1	0	291.332	1.911	40	0		CDABRM
O=C([O-])[C@H]1[C@@H](C(=O)Nc2ccccc2)[C@H]2CC[C@@H]1O2	ZINC000016953038	357581297	/nfs/dbraw/zinc/58/12/97/357581297.db2.gz	MFUCMTIVYRQXAH-NOOOWODRSA-N	-1	0	261.277	1.503	40	0		CDABRM
CCc1ccc([C@H]2N[C@@H](C(=O)[O-])Cc3[nH]cnc32)cc1	ZINC000071610052	357767033	/nfs/dbraw/zinc/76/70/33/357767033.db2.gz	DZEOXLDQCGPCEA-CHWSQXEVSA-N	-1	0	271.320	1.660	40	0		CDABRM
O=C([O-])[C@H]1[C@@H](C(=O)Nc2ccc(F)c(F)c2)[C@H]2CC[C@@H]1O2	ZINC000013119521	366444402	/nfs/dbraw/zinc/44/44/02/366444402.db2.gz	COLXNDHAGKHBDF-NOOOWODRSA-N	-1	0	297.257	1.782	40	0		CDABRM
CC[C@@](CNC(=O)[C@@H]1CCOC1)(C(=O)[O-])c1ccccc1	ZINC000262928950	359200452	/nfs/dbraw/zinc/20/04/52/359200452.db2.gz	GEWYMXHUPMHUKV-WBMJQRKESA-N	-1	0	291.347	1.572	40	0		CDABRM
O=C([O-])Cc1cc(N2CCOCC2)nc(-c2ccccc2)n1	ZINC000224966775	359540171	/nfs/dbraw/zinc/54/01/71/359540171.db2.gz	AIHPXLMXRVNHSO-UHFFFAOYSA-N	-1	0	299.330	1.607	40	0		CDABRM
O=C([N-]S(=O)(=O)Cc1cccnc1)[C@@H]1CC[C@@H]2C[C@@H]2C1	ZINC000408504562	361506784	/nfs/dbraw/zinc/50/67/84/361506784.db2.gz	VIGRAYVGSCFIIO-JHJVBQTASA-N	-1	0	294.376	1.464	40	0		CDABRM
CCOc1cc(/C=C2/NC(=O)[N-]C2=O)cc(Cl)c1OC	ZINC000409047122	363868372	/nfs/dbraw/zinc/86/83/72/363868372.db2.gz	NGFHTKJEJJZGGI-WEVVVXLNSA-N	-1	0	296.710	1.928	40	0		CDABRM
CC[C@@H](C)[C@H](NC(=O)c1cnc2ccccc2n1)C(=O)[O-]	ZINC000001626851	364386289	/nfs/dbraw/zinc/38/62/89/364386289.db2.gz	KHTQXSYLIVGXIE-RNCFNFMXSA-N	-1	0	287.319	1.859	40	0		CDABRM
Cn1cc([C@H]2N[C@@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cn1	ZINC000575410984	364757156	/nfs/dbraw/zinc/75/71/56/364757156.db2.gz	VUMLUDMRDHGQIS-ZIAGYGMSSA-N	-1	0	296.330	1.590	40	0		CDABRM
Cn1ccc([C@@H]2N[C@@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)n1	ZINC000575410799	364761825	/nfs/dbraw/zinc/76/18/25/364761825.db2.gz	JGHGRTVWLWATPQ-HIFRSBDPSA-N	-1	0	296.330	1.590	40	0		CDABRM
O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCCc2sccc2C1	ZINC000225482739	304139117	/nfs/dbraw/zinc/13/91/17/304139117.db2.gz	VVMGFHYCVPUMOV-VHSXEESVSA-N	-1	0	265.334	1.744	40	0		CDABRM
C[C@H](O)CCC/C=C/[C@@H]1C[C@H](O)C[C@H]1[C@H](O)/C=C/C(=O)[O-]	ZINC000252679191	372267199	/nfs/dbraw/zinc/26/71/99/372267199.db2.gz	JFMRAARESGPLQF-KQPMLPITSA-N	-1	0	298.379	1.483	40	0	biogenic,in-vitro	CDABRM
COCc1nc(=NC(=O)C(C)(C)C(F)F)s[n-]1	ZINC000330981490	376414055	/nfs/dbraw/zinc/41/40/55/376414055.db2.gz	JUCKXBFIJAGGHS-UHFFFAOYSA-N	-1	0	265.285	1.336	40	0		CDABRM
COC(=O)c1cccc(NC(=O)C[C@H](C)CC(=O)[O-])c1	ZINC000026807872	376378546	/nfs/dbraw/zinc/37/85/46/376378546.db2.gz	BQLKHUJMHQTQFN-VIFPVBQESA-N	-1	0	279.292	1.913	40	0		CDABRM
CN1C(=O)CC[C@@H](C(=O)[O-])[C@@H]1c1ccc(F)cc1	ZINC000070272575	377045319	/nfs/dbraw/zinc/04/53/19/377045319.db2.gz	RRNIXCZCEGERKE-PWSUYJOCSA-N	-1	0	251.257	1.820	40	0		CDABRM
O=C([O-])c1cc(I)cc2n[nH]cc21	ZINC000253496181	304225464	/nfs/dbraw/zinc/22/54/64/304225464.db2.gz	QKZADHBSPYDXQA-UHFFFAOYSA-N	-1	0	288.044	1.866	40	0		CDABRM
O=C([O-])c1cccc(N2C(=O)[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2=O)c1	ZINC000004018753	304260798	/nfs/dbraw/zinc/26/07/98/304260798.db2.gz	HUYSBAJEPUUFGG-KGOITJQVSA-N	-1	0	285.299	1.920	40	0		CDABRM
O=c1c2c([n-]n1-c1ccc(F)cc1)[nH]c1c(c2=O)CCC1	ZINC000008020850	285208073	/nfs/dbraw/zinc/20/80/73/285208073.db2.gz	LYZZEINVRGYINQ-UHFFFAOYSA-N	-1	0	285.278	1.635	40	0		CDABRM
O=C([O-])c1cccc2c1S(=O)(=O)c1ccccc1C2=O	ZINC000001556917	304266381	/nfs/dbraw/zinc/26/63/81/304266381.db2.gz	HWWLQYBCAODZCA-UHFFFAOYSA-N	-1	0	288.280	1.762	40	0		CDABRM
COCCOc1cc(-n2cccn2)sc1C(=O)[O-]	ZINC000096510924	390530459	/nfs/dbraw/zinc/53/04/59/390530459.db2.gz	MBTXVUOBRMZWPW-UHFFFAOYSA-N	-1	0	268.294	1.657	40	0		CDABRM
COc1ccsc1C(=O)N1CCOC[C@H]1CC(=O)[O-]	ZINC000161422999	139913354	/nfs/dbraw/zinc/91/33/54/139913354.db2.gz	SLCFULGMXJBOTK-MRVPVSSYSA-N	-1	0	285.321	1.072	40	0		CDABRM
COC(=O)[C@@]12C[C@H]1C(=O)c1cc(Br)ccc1O2	ZINC000103702564	397840017	/nfs/dbraw/zinc/84/00/17/397840017.db2.gz	SOKHQAKXQXESPD-QPUJVOFHSA-N	-1	0	297.104	1.956	40	0		CDABRM
O=C([O-])[C@@H]1CCCCN1C(=O)c1ccc2c(c1)CCOC2	ZINC000656473401	413316228	/nfs/dbraw/zinc/31/62/28/413316228.db2.gz	MWFUGYBTTZWDMN-AWEZNQCLSA-N	-1	0	289.331	1.839	40	0		CDABRM
COc1cc(C)c(/C=C2/NC(=O)[N-]C2=O)cc1OC	ZINC000004997966	170052021	/nfs/dbraw/zinc/05/20/21/170052021.db2.gz	XRAADHZFSKIIFR-WEVVVXLNSA-N	-1	0	262.265	1.193	40	0		CDABRM
O=C([O-])[C@H]1[C@@H]2C=C[C@@H](O2)[C@H]1C(=O)Nc1ccc(Cl)cc1	ZINC000005344471	170087962	/nfs/dbraw/zinc/08/79/62/170087962.db2.gz	ONILNZAYAKHDQE-KXNHARMFSA-N	-1	0	293.706	1.933	40	0		CDABRM
CCCNS(=O)(=O)c1cc(C(=O)[O-])ccc1F	ZINC000008029974	170315282	/nfs/dbraw/zinc/31/52/82/170315282.db2.gz	NPKWZVGQSGOCIJ-UHFFFAOYSA-N	-1	0	261.274	1.212	40	0		CDABRM
CCC(=O)NC(=S)Nc1cc(C)c(O)c(C(=O)[O-])c1	ZINC000020151254	171037464	/nfs/dbraw/zinc/03/74/64/171037464.db2.gz	MUWNYXUCBHUMTQ-UHFFFAOYSA-N	-1	0	282.321	1.622	40	0		CDABRM
CCOc1ccc(-c2nc(C)c(CC(=O)[O-])c(=O)[nH]2)cc1	ZINC000022124163	171353846	/nfs/dbraw/zinc/35/38/46/171353846.db2.gz	FCEQMVKBYPPLJN-UHFFFAOYSA-N	-1	0	288.303	1.771	40	0		CDABRM
CCS(=O)(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-]	ZINC000022149732	171358070	/nfs/dbraw/zinc/35/80/70/171358070.db2.gz	CJEBULRTJPKVLZ-GFCCVEGCSA-N	-1	0	296.348	1.103	40	0		CDABRM
CC(C)(C)OC(=O)N1CCC[C@]2(C[C@@H](C(=O)[O-])CO2)C1	ZINC000091303333	278397427	/nfs/dbraw/zinc/39/74/27/278397427.db2.gz	PDXXKWSPNUKXNX-YGRLFVJLSA-N	-1	0	285.340	1.877	40	0		CDABRM
C[C@H]1CCC[C@H](C)N1C(=O)[C@H]1[C@@H](C(=O)[O-])[C@H]2CC[C@@H]1O2	ZINC000017008582	299892106	/nfs/dbraw/zinc/89/21/06/299892106.db2.gz	CDRATGVLFXMROI-NFXCPBFJSA-N	-1	0	281.352	1.654	40	0		CDABRM
Cc1cccc(C[C@H]2SC[C@H](C(=O)[O-])NC2=O)c1	ZINC000062712072	524470054	/nfs/dbraw/zinc/47/00/54/524470054.db2.gz	XXXXFLVQVMJCGD-GHMZBOCLSA-N	-1	0	265.334	1.222	40	0		CDABRM
COc1ccc(C)cc1S(=O)(=O)[N-]c1nc(C)cs1	ZINC000074932264	567903722	/nfs/dbraw/zinc/90/37/22/567903722.db2.gz	NWOKGTNVLWAQNO-UHFFFAOYSA-N	-1	0	298.389	1.991	40	0		CDABRM
COCc1nc(C)cc(N[C@@H]2CCC[C@@H]2C(=O)[O-])n1	ZINC000900978997	623771066	/nfs/dbraw/zinc/77/10/66/623771066.db2.gz	WGNQTKVPAVOESP-VHSXEESVSA-N	-1	0	265.313	1.597	40	0		CDABRM
CN(Cc1cn(C)nn1)[C@H](C(=O)[O-])c1cccc(Cl)c1	ZINC000905374220	626790741	/nfs/dbraw/zinc/79/07/41/626790741.db2.gz	SDGVHXVYVIYXLX-LBPRGKRZSA-N	-1	0	294.742	1.726	40	0		CDABRM
CCc1nn2c([n-]1)nc(CSc1ccccn1)cc2=O	ZINC000100071739	529747340	/nfs/dbraw/zinc/74/73/40/529747340.db2.gz	RKQYJGBNJZVOSB-UHFFFAOYSA-N	-1	0	287.348	1.667	40	0		CDABRM
NC(=O)Nn1c(CCC(=O)[O-])ccc1-c1ccccc1	ZINC000000559581	346025244	/nfs/dbraw/zinc/02/52/44/346025244.db2.gz	RIYAHUBACXYGHW-UHFFFAOYSA-N	-1	0	273.292	1.795	40	0		CDABRM
Cc1nn(-c2ncccc2Br)nc1C(=O)[O-]	ZINC000089261946	179762058	/nfs/dbraw/zinc/76/20/58/179762058.db2.gz	NQFJZBJQLPPJCG-UHFFFAOYSA-N	-1	0	283.085	1.431	40	0		CDABRM
COc1ccc(-c2ccc(=O)n([C@H](C)C(=O)[O-])n2)cc1	ZINC000061966081	362958853	/nfs/dbraw/zinc/95/88/53/362958853.db2.gz	GNODGIUBBCVDFH-SECBINFHSA-N	-1	0	274.276	1.565	40	0		CDABRM
CC(=O)N[C@H](C(=O)[O-])[C@H](C)SCc1ccccc1	ZINC000001868659	355953705	/nfs/dbraw/zinc/95/37/05/355953705.db2.gz	XXPFZRAVDWYRES-CABZTGNLSA-N	-1	0	267.350	1.898	40	0		CDABRM
O=C([O-])[C@@H]1[C@H](C(=O)NCCCn2ccnc2)[C@@H]2CC[C@H]1C2	ZINC000035874681	356052345	/nfs/dbraw/zinc/05/23/45/356052345.db2.gz	QHIQFAKVHWJIMJ-XQHKEYJVSA-N	-1	0	291.351	1.136	40	0		CDABRM
O=C([O-])Cn1ncc2c3cc(F)ccc3[nH]c2c1=O	ZINC000408712479	356096801	/nfs/dbraw/zinc/09/68/01/356096801.db2.gz	QBAPLHFIINUEOM-UHFFFAOYSA-N	-1	0	261.212	1.102	40	0		CDABRM
O=C([O-])Cc1ccc(NC(=S)NC[C@@H]2CCCO2)cc1	ZINC000013813513	356359107	/nfs/dbraw/zinc/35/91/07/356359107.db2.gz	YGENHNMCDRZFMC-LBPRGKRZSA-N	-1	0	294.376	1.779	40	0		CDABRM
O=c1[n-]n([C@H]2CCCOC2)c(=O)c2c1CCCC2	ZINC000634621480	356585543	/nfs/dbraw/zinc/58/55/43/356585543.db2.gz	HZLOQJVCOFQCFF-VIFPVBQESA-N	-1	0	250.298	1.179	40	0		CDABRM
O=C([O-])CC[C@@H]1C(=O)NC(=O)C[C@@H]1c1ccccc1	ZINC000001870394	304058578	/nfs/dbraw/zinc/05/85/78/304058578.db2.gz	CPZCCPZAXBNZAE-WDEREUQCSA-N	-1	0	261.277	1.298	40	0		CDABRM
O=C([O-])CNC(=O)[C@@H]1CCCC[C@H]1C(F)(F)F	ZINC000134434622	304068966	/nfs/dbraw/zinc/06/89/66/304068966.db2.gz	RPXHKMVKRJKFIF-RNFRBKRXSA-N	-1	0	253.220	1.556	40	0		CDABRM
Cc1nc(C(=O)N2CCC[C@H](C(=O)[O-])C2)c(C)s1	ZINC000082243434	358151241	/nfs/dbraw/zinc/15/12/41/358151241.db2.gz	LPXNTNRXGRWOHU-VIFPVBQESA-N	-1	0	268.338	1.697	40	0		CDABRM
CC(=O)N[C@H](C(=O)[O-])[C@H](O)c1ccc(C(F)(F)F)cc1	ZINC000091690075	358521835	/nfs/dbraw/zinc/52/18/35/358521835.db2.gz	SQXUUGMKDYJLIC-VHSXEESVSA-N	-1	0	291.225	1.328	40	0		CDABRM
O=C([O-])C1=Nc2ncnn2[C@@H](/C=C/c2ccccc2)C1	ZINC000102243669	358873672	/nfs/dbraw/zinc/87/36/72/358873672.db2.gz	IXMGNHULXBXBDU-MLRMMBSGSA-N	-1	0	268.276	1.927	40	0		CDABRM
COC(=O)CCC(=O)C=C([O-])C(=O)Nc1ccc(F)cc1	ZINC000102985126	358898980	/nfs/dbraw/zinc/89/89/80/358898980.db2.gz	JOCGZKDOBVOSFK-UHFFFAOYSA-N	-1	0	295.266	1.246	40	0		CDABRM
CC(=O)c1ccc(OCc2ncc(C(=O)[O-])c(=O)[nH]2)cc1	ZINC000217383120	358997011	/nfs/dbraw/zinc/99/70/11/358997011.db2.gz	LGQYBQYVQNFYGJ-UHFFFAOYSA-N	-1	0	288.259	1.250	40	0		CDABRM
CNc1nc(Cl)c(I)c(=O)[n-]1	ZINC000217588616	359013050	/nfs/dbraw/zinc/01/30/50/359013050.db2.gz	SJLFTKKSKHRNMF-UHFFFAOYSA-N	-1	0	285.472	1.070	40	0		CDABRM
C[C@@H](c1cccc(F)c1)n1nccc(C(=O)[O-])c1=O	ZINC000095097650	361140567	/nfs/dbraw/zinc/14/05/67/361140567.db2.gz	LJTPAZFORBAQQM-QMMMGPOBSA-N	-1	0	262.240	1.690	40	0		CDABRM
CC[C@@H](C)c1cc(C(=O)NCCCC(=O)[O-])on1	ZINC000225456633	189752103	/nfs/dbraw/zinc/75/21/03/189752103.db2.gz	VIKYXCBHCUWVFA-MRVPVSSYSA-N	-1	0	254.286	1.783	40	0		CDABRM
CCn1ccc(=O)c(NC(=O)c2c([O-])cccc2F)c1	ZINC000225403356	374300287	/nfs/dbraw/zinc/30/02/87/374300287.db2.gz	VUDFALCXTDRYKI-UHFFFAOYSA-N	-1	0	276.267	1.965	40	0		CDABRM
CC[C@H](C)c1cc(C(=O)NCCCC(=O)[O-])on1	ZINC000225456668	374433869	/nfs/dbraw/zinc/43/38/69/374433869.db2.gz	VIKYXCBHCUWVFA-QMMMGPOBSA-N	-1	0	254.286	1.783	40	0		CDABRM
CN(CCC(=O)[O-])C(=O)c1cnn(Cc2ccccc2)c1	ZINC000225446436	374408926	/nfs/dbraw/zinc/40/89/26/374408926.db2.gz	WIDSLYWKEGTXBE-UHFFFAOYSA-N	-1	0	287.319	1.478	40	0		CDABRM
Cc1oc2ccc(NS(C)(=O)=O)cc2c1C(=O)[O-]	ZINC000056650089	375347281	/nfs/dbraw/zinc/34/72/81/375347281.db2.gz	LVGAGFJWHXUAQB-UHFFFAOYSA-N	-1	0	269.278	1.811	40	0		CDABRM
CSCC[C@@H](C(=O)[O-])n1c(C)c(C(C)=O)[nH]c1=O	ZINC000256027929	190002307	/nfs/dbraw/zinc/00/23/07/190002307.db2.gz	KCJDRHHLIFTBIJ-QMMMGPOBSA-N	-1	0	272.326	1.066	40	0		CDABRM
CCS(=O)(=O)[C@H]1[C@@H](c2ccccc2)[C@@]1(COC)C(=O)[O-]	ZINC000218028319	375778931	/nfs/dbraw/zinc/77/89/31/375778931.db2.gz	BNQDVPWQAXSPKA-MBNYWOFBSA-N	-1	0	298.360	1.305	40	0		CDABRM
CCS(=O)(=O)c1ccc(OCC2CC2)c(C(=O)[O-])c1	ZINC000261507718	190040307	/nfs/dbraw/zinc/04/03/07/190040307.db2.gz	LNXVQKIDXKPFEH-UHFFFAOYSA-N	-1	0	284.333	1.967	40	0		CDABRM
O=C([O-])[C@](O)(c1ccccc1)C1(O)CCCCC1	ZINC000001717747	304212969	/nfs/dbraw/zinc/21/29/69/304212969.db2.gz	JHSGNXKLHOYLKC-CQSZACIVSA-N	-1	0	250.294	1.654	40	0		CDABRM
CCc1ccc([C@@H]2[C@@H](C(=O)[O-])[C@H]2S(C)(=O)=O)cc1	ZINC000252515649	256689495	/nfs/dbraw/zinc/68/94/95/256689495.db2.gz	MJYNCRFVIOEMOU-UTUOFQBUSA-N	-1	0	268.334	1.460	40	0		CDABRM
O=c1[n-]n(-c2ccncc2)c(=O)c(Cl)c1Cl	ZINC000242701399	256697754	/nfs/dbraw/zinc/69/77/54/256697754.db2.gz	WCMJHXSLHZHISK-UHFFFAOYSA-N	-1	0	258.064	1.640	40	0		CDABRM
Cc1cc(C(=O)[O-])cnc1I	ZINC000072225950	390430106	/nfs/dbraw/zinc/43/01/06/390430106.db2.gz	OXIFUIAYTQCXOP-UHFFFAOYSA-N	-1	0	263.034	1.693	40	0		CDABRM
O=C([O-])c1cn(Cc2cn3cc(Cl)ccc3n2)cn1	ZINC000096517348	390532780	/nfs/dbraw/zinc/53/27/80/390532780.db2.gz	XUFOCXASULTEJI-UHFFFAOYSA-N	-1	0	276.683	1.931	40	0		CDABRM
O=C([O-])c1nnc2sc(-c3cccc(F)c3)nn21	ZINC000057332633	304285100	/nfs/dbraw/zinc/28/51/00/304285100.db2.gz	ZTPOHAOXAMRDDL-UHFFFAOYSA-N	-1	0	264.241	1.690	40	0		CDABRM
CS(=O)(=O)[C@@H]1[C@H](C(=O)[O-])[C@H]1c1ccc(F)cc1	ZINC000242620231	391943733	/nfs/dbraw/zinc/94/37/33/391943733.db2.gz	PZNYIXZVPPJWHX-BBBLOLIVSA-N	-1	0	258.270	1.037	40	0		CDABRM
CCS(=O)(=O)[C@@H]1[C@@H](C(=O)[O-])[C@H]1c1ccc(C)cc1	ZINC000242728112	391944803	/nfs/dbraw/zinc/94/48/03/391944803.db2.gz	YTNBYGLMXBSEAY-WOPDTQHZSA-N	-1	0	268.334	1.596	40	0		CDABRM
CCOc1cc(CN2C(=O)CC[C@@H]2C(=O)[O-])ccc1OC	ZINC000062709458	392801236	/nfs/dbraw/zinc/80/12/36/392801236.db2.gz	TVECKJMVXXQAEP-LLVKDONJSA-N	-1	0	293.319	1.670	40	0		CDABRM
O=C([O-])c1ccc(S(=O)(=O)C(F)(F)F)cn1	ZINC000242495729	393183414	/nfs/dbraw/zinc/18/34/14/393183414.db2.gz	GOGWCFQNOXRRHD-UHFFFAOYSA-N	-1	0	255.173	1.073	40	0		CDABRM
C[C@@H](NC(=O)c1ccccc1)C(=O)SCC(=O)[O-]	ZINC000001891918	169762369	/nfs/dbraw/zinc/76/23/69/169762369.db2.gz	OEJDVGZWJKPUDA-MRVPVSSYSA-N	-1	0	267.306	1.149	40	0		CDABRM
O=c1cnn(Cc2ccc(Cl)cc2Cl)c(=O)[n-]1	ZINC000005530727	170109643	/nfs/dbraw/zinc/10/96/43/170109643.db2.gz	BRSIMDBTTDALGE-UHFFFAOYSA-N	-1	0	272.091	1.287	40	0		CDABRM
NC(=O)C[C@H](SC(=S)C1=C(N)CCC1)C(=O)[O-]	ZINC000005575269	170115360	/nfs/dbraw/zinc/11/53/60/170115360.db2.gz	YQARZTRIYXLMCM-VDTYLAMSSA-N	-1	0	274.367	1.195	40	0		CDABRM
O=S1(=O)CC[C@@H](OC(=S)[N-]c2ccccc2)C1	ZINC000005672639	170126869	/nfs/dbraw/zinc/12/68/69/170126869.db2.gz	OVCIYOFXTUQLKE-SNVBAGLBSA-N	-1	0	271.363	1.587	40	0		CDABRM
Cc1ccc(Nc2nc3c([O-])nnc(=O)c-3c[nH]2)cc1	ZINC000008617051	170342911	/nfs/dbraw/zinc/34/29/11/170342911.db2.gz	YBFAYPNXFLELJS-UHFFFAOYSA-N	-1	0	269.264	1.058	40	0		CDABRM
Cc1nc(Nc2ccc(C(N)=O)cc2)sc1C(=O)[O-]	ZINC000020156560	171039288	/nfs/dbraw/zinc/03/92/88/171039288.db2.gz	CGTXEMDQBQGGKX-UHFFFAOYSA-N	-1	0	277.305	1.992	40	0		CDABRM
Nc1cc(=O)[nH]c(SCc2ccc(C(=O)[O-])cc2)n1	ZINC000020394572	171180776	/nfs/dbraw/zinc/18/07/76/171180776.db2.gz	JYJLOWOGEDSDNL-UHFFFAOYSA-N	-1	0	277.305	1.343	40	0		CDABRM
C[C@@H](NC(=O)/C=C\c1ccc(Cl)cc1)C(=O)[O-]	ZINC000033435456	171797019	/nfs/dbraw/zinc/79/70/19/171797019.db2.gz	AXXDRUBCKJYEBA-RBMBQVQZSA-N	-1	0	253.685	1.943	40	0		CDABRM
COc1ccc2oc(N[C@@H]3C[C@@H](C(=O)[O-])C[C@H]3O)nc2c1	ZINC000662899076	413682210	/nfs/dbraw/zinc/68/22/10/413682210.db2.gz	XEKTYDDVGMPUIR-BCMRRPTOSA-N	-1	0	292.291	1.472	40	0		CDABRM
O=C([O-])Cn1cc(NC(=O)c2ccc(F)cc2)cn1	ZINC000038029646	174020009	/nfs/dbraw/zinc/02/00/09/174020009.db2.gz	XXCZBJYUBHCDRC-UHFFFAOYSA-N	-1	0	263.228	1.359	40	0		CDABRM
O=C([O-])c1cccn(OCc2ccc(Cl)cc2)c1=O	ZINC000041670704	174600356	/nfs/dbraw/zinc/60/03/56/174600356.db2.gz	SFAAXKSGGHTFKI-UHFFFAOYSA-N	-1	0	279.679	1.829	40	0		CDABRM
CCOC(=O)C1=NN(c2ccccc2C)[C@](C)(C(=O)[O-])C1	ZINC000071979448	176307730	/nfs/dbraw/zinc/30/77/30/176307730.db2.gz	MHZWYCSYTZCYAV-HNNXBMFYSA-N	-1	0	290.319	1.968	40	0		CDABRM
Cc1ccoc1CC(=O)N[C@@H]1CCC[C@@H]1C(=O)[O-]	ZINC000659155066	424600869	/nfs/dbraw/zinc/60/08/69/424600869.db2.gz	WKQBJNYYYGUDEV-VHSXEESVSA-N	-1	0	251.282	1.500	40	0		CDABRM
COc1cccc2[n-]nc(Br)c(=O)c21	ZINC000225741198	278022531	/nfs/dbraw/zinc/02/25/31/278022531.db2.gz	NMSIXOMJENDTDQ-UHFFFAOYSA-N	-1	0	255.071	1.694	40	0		CDABRM
CC(=O)O[C@@H]1CCC(=O)[C@H]2[C@@H](C(=O)[O-])CCC[C@H]12	ZINC000004990474	278220540	/nfs/dbraw/zinc/22/05/40/278220540.db2.gz	XJAOIOPKJIPADH-RBLKWDMZSA-N	-1	0	254.282	1.398	40	0		CDABRM
CN1C(=O)CC[C@H](C(=O)[O-])[C@H]1c1cccc(F)c1	ZINC000062702231	289805153	/nfs/dbraw/zinc/80/51/53/289805153.db2.gz	UMLQXZLKUSJZPA-CMPLNLGQSA-N	-1	0	251.257	1.820	40	0		CDABRM
COc1cc(N2CCCC[C@H]2C(=O)[O-])nc(SC)n1	ZINC000079439528	294994170	/nfs/dbraw/zinc/99/41/70/294994170.db2.gz	AIEWMEUWZXHARP-QMMMGPOBSA-N	-1	0	283.353	1.651	40	0		CDABRM
Cc1c(-c2ccnc3c2c(C(=O)[O-])nn3C)cnn1C	ZINC000072339603	300905678	/nfs/dbraw/zinc/90/56/78/300905678.db2.gz	BABCAVAFRLDWQK-UHFFFAOYSA-N	-1	0	271.280	1.375	40	0		CDABRM
Cc1cc(C)cc(C[C@@H](C(=O)[O-])N2CCOCC2)c1	ZINC000057550753	301223092	/nfs/dbraw/zinc/22/30/92/301223092.db2.gz	HWTBSOVQXDBGTC-AWEZNQCLSA-N	-1	0	263.337	1.631	40	0		CDABRM
C[C@@H]1CC[C@]2(C)C(=C[C@H](O)C[C@H]2O)C=C1C(=O)[O-]	ZINC001772591322	1159182353	/nfs/dbraw/zinc/18/23/53/1159182353.db2.gz	SUJBNXDMMIUWKV-BUHSHPNESA-N	-1	0	252.310	1.486	40	0		CDABRM
C[C@H](CC(=O)Nc1c[nH]nc1C(=O)[O-])C(F)(F)F	ZINC000902232707	624578800	/nfs/dbraw/zinc/57/88/00/624578800.db2.gz	CUFALOFZTXLYFO-SCSAIBSYSA-N	-1	0	265.191	1.635	40	0		CDABRM
CCn1nc(C)cc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-]	ZINC000032610702	1165725611	/nfs/dbraw/zinc/72/56/11/1165725611.db2.gz	YCBJBBDMSBBZJZ-QWRGUYRKSA-N	-1	0	277.324	1.817	40	0		CDABRM
O=C([O-])[C@H]1[C@@H](C(=O)NCCC2=CCCCC2)[C@H]2C=C[C@@H]1O2	ZINC000136449213	931223072	/nfs/dbraw/zinc/22/30/72/931223072.db2.gz	DHYQIKJQFFCKFX-ZOBORPQBSA-N	-1	0	291.347	1.647	40	0		CDABRM
Nc1nn(Cc2cccc(Cl)c2)cc1C(=O)[O-]	ZINC000408716597	230408633	/nfs/dbraw/zinc/40/86/33/230408633.db2.gz	OPXGFTYCUWWIPT-UHFFFAOYSA-N	-1	0	251.673	1.696	40	0		CDABRM
CC(C)(C)OC(=O)N1C[C@@H](CC(=O)[O-])C(F)(F)C1	ZINC000095616775	185015929	/nfs/dbraw/zinc/01/59/29/185015929.db2.gz	OIHFYVFPPURWTK-SSDOTTSWSA-N	-1	0	265.256	1.963	40	0		CDABRM
CCCNS(=O)(=O)c1ccc(NC)c(C(=O)[O-])c1	ZINC000098132224	185693148	/nfs/dbraw/zinc/69/31/48/185693148.db2.gz	VBEMZLKFQITIPQ-UHFFFAOYSA-N	-1	0	272.326	1.115	40	0		CDABRM
Cc1cccc([C@@H](NS(=O)(=O)CC2CCC2)C(=O)[O-])c1	ZINC000275149824	365941149	/nfs/dbraw/zinc/94/11/49/365941149.db2.gz	YJKJPTDOQTXZKB-CYBMUJFWSA-N	-1	0	297.376	1.840	40	0		CDABRM
O=C([O-])CCCN1CCN(CC(F)(F)F)CC1	ZINC000061941648	362953327	/nfs/dbraw/zinc/95/33/27/362953327.db2.gz	XZDGMQGMWSSEJE-UHFFFAOYSA-N	-1	0	254.252	1.031	40	0		CDABRM
C[C@@H](NC(=O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)[O-])c1ccncc1	ZINC000157755412	188336698	/nfs/dbraw/zinc/33/66/98/188336698.db2.gz	JYUHZEVRAUKQCN-CYDRSHDDSA-N	-1	0	286.331	1.782	40	0		CDABRM
C[C@H](O)[C@H](NC(=O)SCc1ccccc1)C(=O)[O-]	ZINC000001677513	355947165	/nfs/dbraw/zinc/94/71/65/355947165.db2.gz	DQIYTXNSTIXVNX-WPRPVWTQSA-N	-1	0	269.322	1.463	40	0		CDABRM
CC(C)[C@H](C(=O)[O-])N(C)C(=O)c1cnc2ccccc2n1	ZINC000001703471	355947980	/nfs/dbraw/zinc/94/79/80/355947980.db2.gz	IDFSTOUGEUIEBE-CYBMUJFWSA-N	-1	0	287.319	1.811	40	0		CDABRM
CCOC(=O)[C@@H](CC(=O)[O-])Cc1cccc(OC)c1OC	ZINC000002030703	355958279	/nfs/dbraw/zinc/95/82/79/355958279.db2.gz	CVQPSTSDNVKRAA-LLVKDONJSA-N	-1	0	296.319	1.900	40	0		CDABRM
CCCCN(C(=S)[S-])[C@H]1CCS(=O)(=O)C1	ZINC000012173836	356289716	/nfs/dbraw/zinc/28/97/16/356289716.db2.gz	CRCWESIXSDXEQV-QMMMGPOBSA-N	-1	0	267.441	1.490	40	0		CDABRM
C[C@H](NC(=O)CCC(=O)[O-])c1ccc2c(c1)OCO2	ZINC000032610150	356312244	/nfs/dbraw/zinc/31/22/44/356312244.db2.gz	AJRNSBBBYZDMKA-QMMMGPOBSA-N	-1	0	265.265	1.457	40	0		CDABRM
CCc1ccc(N2C(=O)C[C@H](SCC(=O)[O-])C2=O)cc1	ZINC000016899751	356448472	/nfs/dbraw/zinc/44/84/72/356448472.db2.gz	WUNHDUXQTZLAKT-NSHDSACASA-N	-1	0	293.344	1.699	40	0		CDABRM
CNS(=O)(=O)c1cc(C(=O)[O-])ccc1NCC(C)C	ZINC000036720855	356878664	/nfs/dbraw/zinc/87/86/64/356878664.db2.gz	XCKLAPSWSREWSQ-UHFFFAOYSA-N	-1	0	286.353	1.361	40	0		CDABRM
O=C([O-])C1CCN(c2cc(C3CC3)nc3ncnn32)CC1	ZINC000096515964	357522228	/nfs/dbraw/zinc/52/22/28/357522228.db2.gz	KLLFIZPVWHGJEY-UHFFFAOYSA-N	-1	0	287.323	1.303	40	0		CDABRM
O=C([O-])C1CCN(c2ccc(=O)n(-c3ccccc3)n2)CC1	ZINC000096517257	357522256	/nfs/dbraw/zinc/52/22/56/357522256.db2.gz	WYLLEVJVQJOBMR-UHFFFAOYSA-N	-1	0	299.330	1.534	40	0		CDABRM
COc1ccc(-c2n[nH]cc2S(C)(=O)=O)cc1	ZINC000095097887	366529372	/nfs/dbraw/zinc/52/93/72/366529372.db2.gz	SYWWSZIASDPBNE-UHFFFAOYSA-N	-1	0	252.295	1.489	40	0		CDABRM
COCCNC(=S)Nc1cc(C(=O)[O-])ccc1OC	ZINC000225156242	359554061	/nfs/dbraw/zinc/55/40/61/359554061.db2.gz	GTFGHYJURLZLKG-UHFFFAOYSA-N	-1	0	284.337	1.326	40	0		CDABRM
Cc1cc(=O)[nH]c(COc2cccc(C(=O)[O-])c2)n1	ZINC000226105808	359647148	/nfs/dbraw/zinc/64/71/48/359647148.db2.gz	XPCKUJWJGRONAH-UHFFFAOYSA-N	-1	0	260.249	1.356	40	0		CDABRM
O=C([O-])[C@@H]1CCCN(c2nc(C(F)(F)F)cc(=O)[nH]2)C1	ZINC000057342891	304110744	/nfs/dbraw/zinc/11/07/44/304110744.db2.gz	XACNCIFQJQGZHA-ZCFIWIBFSA-N	-1	0	291.229	1.090	40	0		CDABRM
CC[C@H](C)[C@@H]([NH3+])C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000001589441	364343727	/nfs/dbraw/zinc/34/37/27/364343727.db2.gz	WMDZARSFSMZOQO-WCFLWFBJSA-N	-1	0	278.352	1.172	40	0	endogenous,in-man	CDABRM
CSCC[C@@H]([NH2+]Cc1ccc(C(=O)[O-])cc1)C(=O)[O-]	ZINC000062718084	364835712	/nfs/dbraw/zinc/83/57/12/364835712.db2.gz	NHXUVNWQXWAZGY-LLVKDONJSA-N	-1	0	283.349	1.681	40	0		CDABRM
O=C([O-])[C@H]1CC(=O)N(C[C@@H]2CCCO2)[C@@H]1c1ccccc1	ZINC000040449013	304174479	/nfs/dbraw/zinc/17/44/79/304174479.db2.gz	GJUBBFPRPXTLSH-KCQAQPDRSA-N	-1	0	289.331	1.840	40	0		CDABRM
COc1ccc(NC(=O)[C@H](C)[C@H]2SC(=O)[N-]C2=O)cc1	ZINC000002699288	373468518	/nfs/dbraw/zinc/46/85/18/373468518.db2.gz	LCQOMMOWSZQIAE-GMSGAONNSA-N	-1	0	294.332	1.621	40	0		CDABRM
O=C([O-])C[C@H](CC(=O)NC[C@@H]1CCCO1)c1ccccc1	ZINC000057604247	375538780	/nfs/dbraw/zinc/53/87/80/375538780.db2.gz	YLEVLXXTMUYRAR-KBPBESRZSA-N	-1	0	291.347	1.930	40	0		CDABRM
O=C([O-])C1CN(c2cncc(Cc3ccccc3F)n2)C1	ZINC000257198127	190011138	/nfs/dbraw/zinc/01/11/38/190011138.db2.gz	UDZVZVLGWLSCPR-UHFFFAOYSA-N	-1	0	287.294	1.727	40	0		CDABRM
CSc1cccc(N2C(=O)N[C@@H](CC(=O)[O-])C2=O)c1	ZINC000218710969	375724944	/nfs/dbraw/zinc/72/49/44/375724944.db2.gz	CUPMFMPEOALNOL-VIFPVBQESA-N	-1	0	280.305	1.308	40	0		CDABRM
O=C([O-])Cc1ccc([C@@H]2CCS(=O)(=O)C2)cc1	ZINC000217780815	375731440	/nfs/dbraw/zinc/73/14/40/375731440.db2.gz	HWMATMXNZUGUOD-LLVKDONJSA-N	-1	0	254.307	1.216	40	0		CDABRM
CCS(=O)(=O)[C@H]1[C@@H](C(=O)[O-])[C@@H]1c1ccccc1	ZINC000218028806	375779259	/nfs/dbraw/zinc/77/92/59/375779259.db2.gz	QFZQFEKJMVWVJE-GARJFASQSA-N	-1	0	254.307	1.288	40	0		CDABRM
COc1ccc([C@@H]2C[N@H+](C)C[C@H]2C(=O)[O-])c(OC)c1	ZINC000242718308	390480214	/nfs/dbraw/zinc/48/02/14/390480214.db2.gz	XIUAEWDUYITPRE-NWDGAFQWSA-N	-1	0	265.309	1.434	40	0		CDABRM
CC[C@H](C)n1cc(N2C[C@H](C(=O)[O-])CC2=O)cn1	ZINC000096528887	390539474	/nfs/dbraw/zinc/53/94/74/390539474.db2.gz	OBRXCGVVDQNAJW-DTWKUNHWSA-N	-1	0	251.286	1.292	40	0		CDABRM
C[C@@H]1CCc2nnc(N3CCC[C@@H](C(=O)[O-])C3)cc2C1	ZINC000225586429	391279242	/nfs/dbraw/zinc/27/92/42/391279242.db2.gz	LNFIFQHEMHZVCP-GHMZBOCLSA-N	-1	0	275.352	1.902	40	0		CDABRM
O=C([O-])c1cncc(S(=O)(=O)C(F)(F)F)c1	ZINC000242547681	391942277	/nfs/dbraw/zinc/94/22/77/391942277.db2.gz	KRWKMXQSSRZMFD-UHFFFAOYSA-N	-1	0	255.173	1.073	40	0		CDABRM
CCS(=O)(=O)[C@@H]1[C@H](C(=O)[O-])[C@H]1c1ccc2c(c1)OCO2	ZINC000242437280	393070557	/nfs/dbraw/zinc/07/05/57/393070557.db2.gz	BWAUREVUHNCFCV-UTUOFQBUSA-N	-1	0	298.316	1.017	40	0		CDABRM
CC(=O)N[C@@H](CS/C(Cl)=C/Cl)C(=O)[O-]	ZINC000005167302	170073358	/nfs/dbraw/zinc/07/33/58/170073358.db2.gz	LPPJGTSPIBSYQO-KDXUVAGDSA-N	-1	0	258.126	1.585	40	0		CDABRM
CCOc1c(Cl)cc(/C=C2/NC(=O)[N-]C2=O)cc1OC	ZINC000006387649	170197317	/nfs/dbraw/zinc/19/73/17/170197317.db2.gz	JAMZJCWDTUKQQV-WEVVVXLNSA-N	-1	0	296.710	1.928	40	0		CDABRM
O=C([O-])[C@@H]1[C@@H](C(=O)NCc2ccccc2F)[C@H]2C=C[C@@H]1O2	ZINC000006726771	170233350	/nfs/dbraw/zinc/23/33/50/170233350.db2.gz	TZUSAKDHNHPRTD-VOAKCMCISA-N	-1	0	291.278	1.096	40	0		CDABRM
NS(=O)(=O)c1ccc(NCc2ccc(C(=O)[O-])o2)cc1	ZINC000008702219	170347670	/nfs/dbraw/zinc/34/76/70/170347670.db2.gz	QICBBPVEOZYHAL-UHFFFAOYSA-N	-1	0	296.304	1.237	40	0		CDABRM
O=C([O-])CS(=O)(=O)Cc1c(Cl)cccc1Cl	ZINC000034973243	171909053	/nfs/dbraw/zinc/90/90/53/171909053.db2.gz	WPTRCLNEEQVAIS-UHFFFAOYSA-N	-1	0	283.132	1.993	40	0		CDABRM
O=C([O-])[C@H]1C[C@H]1C(=O)Nc1ccc2ncccc2c1	ZINC000054108217	175553804	/nfs/dbraw/zinc/55/38/04/175553804.db2.gz	PETJXGDSENRIBW-MNOVXSKESA-N	-1	0	256.261	1.894	40	0		CDABRM
O=C([O-])Cc1nnc2c(-c3nc(C4CC4)no3)cccn12	ZINC000072221302	176343198	/nfs/dbraw/zinc/34/31/98/176343198.db2.gz	KUOVCHRIEMNFOG-UHFFFAOYSA-N	-1	0	285.263	1.284	40	0		CDABRM
CCCc1noc(-c2ccc3nnc(CC(=O)[O-])n3c2)n1	ZINC000072221310	176343316	/nfs/dbraw/zinc/34/33/16/176343316.db2.gz	VWQRVTNJMNSHQA-UHFFFAOYSA-N	-1	0	287.279	1.359	40	0		CDABRM
Cc1cc2ncc(C(=O)[O-])c(=O)n2n1-c1ccccc1	ZINC000078400802	177337603	/nfs/dbraw/zinc/33/76/03/177337603.db2.gz	QDTBNKCJAAANCI-UHFFFAOYSA-N	-1	0	269.260	1.492	40	0		CDABRM
Cc1nc(COc2ccccc2N)ncc1C(=O)[O-]	ZINC000078400852	177337796	/nfs/dbraw/zinc/33/77/96/177337796.db2.gz	LMHVEOQIPLDMNS-UHFFFAOYSA-N	-1	0	259.265	1.644	40	0		CDABRM
CC(C)=CC[C@@]1(O)C(=O)c2ccccc2[C@@]1(O)C(=O)[O-]	ZINC000001871620	278666993	/nfs/dbraw/zinc/66/69/93/278666993.db2.gz	LVYYPCAHSWYNEJ-HUUCEWRRSA-N	-1	0	276.288	1.243	40	0		CDABRM
CC(C)CCC[C@@H](C)NC(=O)[C@H]1[C@@H](C(=O)[O-])[C@H]2C=C[C@@H]1O2	ZINC000225708306	278755686	/nfs/dbraw/zinc/75/56/86/278755686.db2.gz	XYPIQJJOFTYTTL-ITGHMWBKSA-N	-1	0	295.379	1.972	40	0		CDABRM
C[NH+](C)CC[C@](CCC(=O)[O-])(C(=O)[O-])c1ccccc1	ZINC000005599704	289185681	/nfs/dbraw/zinc/18/56/81/289185681.db2.gz	DASNJSFCABWFSL-HNNXBMFYSA-N	-1	0	279.336	1.826	40	0		CDABRM
COCc1cccc(C(=O)N2CCC[C@@H]2CC(=O)[O-])c1	ZINC000042145013	293308968	/nfs/dbraw/zinc/30/89/68/293308968.db2.gz	DLBDNHAPUSFWLP-CYBMUJFWSA-N	-1	0	277.320	1.912	40	0		CDABRM
C[C@]12C=C[C@H](O1)[C@@H]1C(=O)N(c3cccc(C(=O)[O-])c3)C(=O)[C@@H]12	ZINC000001088535	300856717	/nfs/dbraw/zinc/85/67/17/300856717.db2.gz	FLJJAJJARNCUPA-PVTKRXDGSA-N	-1	0	299.282	1.218	40	0		CDABRM
Cn1cnc(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)c1	ZINC000236124532	303014544	/nfs/dbraw/zinc/01/45/44/303014544.db2.gz	JOMWKHJLYUMMEC-DLOVCJGASA-N	-1	0	277.324	1.278	40	0		CDABRM
Cc1ccccc1C[C@@H]1SC[C@H](C(=O)[O-])NC1=O	ZINC000062712041	525195091	/nfs/dbraw/zinc/19/50/91/525195091.db2.gz	WHABKYFHFFJAEK-MNOVXSKESA-N	-1	0	265.334	1.222	40	0		CDABRM
O=C([O-])[C@H]1CS[C@@H](Cc2cccc(F)c2)C(=O)N1	ZINC000062712228	526333106	/nfs/dbraw/zinc/33/31/06/526333106.db2.gz	FHDRMGXAVGKUPH-ZJUUUORDSA-N	-1	0	269.297	1.053	40	0		CDABRM
O=C([O-])COc1cccc(NC(=O)C[C@@H]2CCCOC2)c1	ZINC000909127780	628525272	/nfs/dbraw/zinc/52/52/72/628525272.db2.gz	XMBIMELWUUOXKC-NSHDSACASA-N	-1	0	293.319	1.905	40	0		CDABRM
O=C([O-])C1CCN(C(=O)CCC(=O)N2CCCCC2)CC1	ZINC000020263035	1165670944	/nfs/dbraw/zinc/67/09/44/1165670944.db2.gz	HJEPNUILTVRBBH-UHFFFAOYSA-N	-1	0	296.367	1.102	40	0		CDABRM
COC[C@@]1(C(=O)[O-])CCCN(C(=O)CCC2CCC2)C1	ZINC000262881956	706200878	/nfs/dbraw/zinc/20/08/78/706200878.db2.gz	KRVIKDMUGSZKCV-OAHLLOKOSA-N	-1	0	283.368	1.907	40	0		CDABRM
O=C([O-])c1ccc([N+](=O)[O-])cc1C(=O)Nc1ccncc1	ZINC000006269058	341999238	/nfs/dbraw/zinc/99/92/38/341999238.db2.gz	SATVYBMEIVJJGB-UHFFFAOYSA-N	-1	0	287.231	1.940	40	0		CDABRM
CC(C)C1(S(=O)(=O)NCc2ccc(C(=O)[O-])cc2)CC1	ZINC000629292697	361816838	/nfs/dbraw/zinc/81/68/38/361816838.db2.gz	UNSNYRVXIQHPOF-UHFFFAOYSA-N	-1	0	297.376	1.993	40	0		CDABRM
CC[C@@H](C)[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)[O-]	ZINC000001594006	355941266	/nfs/dbraw/zinc/94/12/66/355941266.db2.gz	BONOQNDSZHYLAR-ZYHUDNBSSA-N	-1	0	285.365	1.605	40	0		CDABRM
COc1cc2cccnc2c(NC(=O)/C=C/C(=O)[O-])c1	ZINC000001714359	355948881	/nfs/dbraw/zinc/94/88/81/355948881.db2.gz	WDEJKSJHTCNDSE-SNAWJCMRSA-N	-1	0	272.260	1.823	40	0		CDABRM
CC[C@](SCC(N)=O)(C(=O)[O-])c1ccccc1	ZINC000002046529	355959478	/nfs/dbraw/zinc/95/94/78/355959478.db2.gz	FKMCATXJGCKTAM-GFCCVEGCSA-N	-1	0	253.323	1.595	40	0		CDABRM
CCCCCNS(=O)(=O)c1ccsc1C(=O)[O-]	ZINC000015424096	356415529	/nfs/dbraw/zinc/41/55/29/356415529.db2.gz	CYVZIEYUQOVCET-UHFFFAOYSA-N	-1	0	277.367	1.915	40	0		CDABRM
C[C@H](NC(=O)c1cccc(C(F)(F)F)c1)C(=O)[O-]	ZINC000019276411	356478820	/nfs/dbraw/zinc/47/88/20/356478820.db2.gz	HXSARLSYAKOGBR-LURJTMIESA-N	-1	0	261.199	1.908	40	0		CDABRM
CCOc1ccc(C[C@@H](C(=O)[O-])N2CCOCC2)cc1	ZINC000041433994	357036331	/nfs/dbraw/zinc/03/63/31/357036331.db2.gz	OFSWRDJWUOWUSM-AWEZNQCLSA-N	-1	0	279.336	1.413	40	0		CDABRM
O=C([O-])c1cnc(COc2ccc(F)cc2)[nH]c1=O	ZINC000058038214	357375131	/nfs/dbraw/zinc/37/51/31/357375131.db2.gz	XUFHEINOXQNASL-UHFFFAOYSA-N	-1	0	264.212	1.186	40	0		CDABRM
CC(C)(C)OC(=O)[C@H]1N[C@@H](C(=O)[O-])Cc2ccccc21	ZINC000064219718	357521424	/nfs/dbraw/zinc/52/14/24/357521424.db2.gz	SFWUPCBUUHDRHB-NEPJUHHUSA-N	-1	0	277.320	1.668	40	0		CDABRM
CCn1ccc(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])n1	ZINC000036610960	358363999	/nfs/dbraw/zinc/36/39/99/358363999.db2.gz	ABXPPRAPQYPCGK-QCZKYFFMSA-N	-1	0	275.308	1.364	40	0		CDABRM
C[C@H]1CCCN(C(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])C1	ZINC000013320359	366454973	/nfs/dbraw/zinc/45/49/73/366454973.db2.gz	RJKFJIGHKPUDQB-SRVKXCTJSA-N	-1	0	251.326	1.912	40	0		CDABRM
COc1cc(=O)n(CC(=O)[O-])nc1-c1ccc(Cl)cc1	ZINC000095095452	358678413	/nfs/dbraw/zinc/67/84/13/358678413.db2.gz	WVWMUDRQLOFVLT-UHFFFAOYSA-N	-1	0	294.694	1.657	40	0		CDABRM
Cc1cc(C)n(-c2cc(N(C)CC(=O)[O-])nc(C)n2)n1	ZINC000217510633	358762536	/nfs/dbraw/zinc/76/25/36/358762536.db2.gz	WOZNRGRUXYEWAU-UHFFFAOYSA-N	-1	0	275.312	1.108	40	0		CDABRM
O=C1O[C@@H]([C@@H]2COC3(CCCCC3)O2)C([O-])=C1O	ZINC000100024692	358817846	/nfs/dbraw/zinc/81/78/46/358817846.db2.gz	SKQBFUVTZXIHLB-XVKPBYJWSA-N	-1	0	256.254	1.315	40	0		CDABRM
COc1cccc(NC(=O)Cc2ncc(C(=O)[O-])cn2)c1	ZINC000217353244	358995211	/nfs/dbraw/zinc/99/52/11/358995211.db2.gz	LAWRVYVMOCZIDJ-UHFFFAOYSA-N	-1	0	287.275	1.365	40	0		CDABRM
CC(C)OC(=O)c1cccc(NC(=O)/C=C\C(=O)[O-])c1	ZINC000031817139	359644741	/nfs/dbraw/zinc/64/47/41/359644741.db2.gz	PWQJZWLPMDDHNU-SREVYHEPSA-N	-1	0	277.276	1.831	40	0		CDABRM
CC(C)S(=O)(=O)[N-]C(=O)[C@H]1Cc2ccccc21	ZINC000408490164	361346021	/nfs/dbraw/zinc/34/60/21/361346021.db2.gz	ZGNYRSYCHJHZKN-NSHDSACASA-N	-1	0	253.323	1.181	40	0		CDABRM
CC(C)(C)OC(=O)NCc1cc(C(=O)[O-])ccc1N	ZINC000002510791	364581296	/nfs/dbraw/zinc/58/12/96/364581296.db2.gz	AFUINDSZAZZUIP-UHFFFAOYSA-N	-1	0	266.297	1.992	40	0		CDABRM
CC[C@@H](C)S(=O)(=O)[N-]C(=O)[C@H]1CC1(Cl)Cl	ZINC000181969262	365059613	/nfs/dbraw/zinc/05/96/13/365059613.db2.gz	OFRWJWBXWYFFMB-PHDIDXHHSA-N	-1	0	274.169	1.425	40	0		CDABRM
O=C([O-])[C@@H]1C[C@@H]2c3ccccc3N[C@@H]2[C@H]2CCC(=O)N21	ZINC000245241256	304145567	/nfs/dbraw/zinc/14/55/67/304145567.db2.gz	ZOJBHIDKMQCKNB-WUWHUORYSA-N	-1	0	272.304	1.412	40	0		CDABRM
CC(C)[C@@H](NC(=O)CCc1ccsc1)C(=O)[O-]	ZINC000225467204	374466556	/nfs/dbraw/zinc/46/65/56/374466556.db2.gz	PECYZUUMBNQWDS-LLVKDONJSA-N	-1	0	255.339	1.906	40	0		CDABRM
Cc1cc(C)nc([C@H]2CCN(C(=O)CCC(=O)[O-])C2)n1	ZINC000257308609	190031054	/nfs/dbraw/zinc/03/10/54/190031054.db2.gz	TXIXQEIWBKCPMR-NSHDSACASA-N	-1	0	277.324	1.274	40	0		CDABRM
CCN1C(=O)CCc2cc(OCCC(=O)[O-])ccc21	ZINC000218785871	375896227	/nfs/dbraw/zinc/89/62/27/375896227.db2.gz	LYVPUAYXVCRMPD-UHFFFAOYSA-N	-1	0	263.293	1.839	40	0		CDABRM
CC(C)(C)OC(=O)N[C@]1(C(=O)[O-])C[C@@H]1c1cn[nH]c1	ZINC000242750539	376094517	/nfs/dbraw/zinc/09/45/17/376094517.db2.gz	ZRCXGNDESAXUQC-PRHODGIISA-N	-1	0	267.285	1.245	40	0		CDABRM
CCc1nnc(Sc2ccc(N)cc2C(=O)[O-])[nH]1	ZINC000070462441	377035277	/nfs/dbraw/zinc/03/52/77/377035277.db2.gz	BJSCXSWREGYOCB-UHFFFAOYSA-N	-1	0	264.310	1.799	40	0		CDABRM
CC(C)(C)OC(=O)N[C@@H](Cc1cccc(N)n1)C(=O)[O-]	ZINC000016696816	378216621	/nfs/dbraw/zinc/21/66/21/378216621.db2.gz	LWXWBWYJSUGCBY-VIFPVBQESA-N	-1	0	281.312	1.184	40	0		CDABRM
O=C([O-])c1ccn(-c2nccc(C(F)(F)F)n2)n1	ZINC000002554314	304273051	/nfs/dbraw/zinc/27/30/51/304273051.db2.gz	LDUUOMPXBMPVGC-UHFFFAOYSA-N	-1	0	258.159	1.379	40	0		CDABRM
O=C([O-])CC[C@@H]1COCCN1C(=O)OCc1ccccc1	ZINC000002527116	390143165	/nfs/dbraw/zinc/14/31/65/390143165.db2.gz	UWIKLDKPALYJTF-CYBMUJFWSA-N	-1	0	293.319	1.889	40	0		CDABRM
CC[C@H](C)n1cc(N2C[C@@H](C(=O)[O-])CC2=O)cn1	ZINC000096528891	390539717	/nfs/dbraw/zinc/53/97/17/390539717.db2.gz	OBRXCGVVDQNAJW-IUCAKERBSA-N	-1	0	251.286	1.292	40	0		CDABRM
O=C([O-])c1cccc(Cn2cnc3c(c2=O)CCC3)c1	ZINC000096531056	390540709	/nfs/dbraw/zinc/54/07/09/390540709.db2.gz	DLJBYFWTNYVWCP-UHFFFAOYSA-N	-1	0	270.288	1.479	40	0		CDABRM
CC[C@H](C)[C@](C)(O)CNc1ncccc1C(=O)[O-]	ZINC000647450591	390960609	/nfs/dbraw/zinc/96/06/09/390960609.db2.gz	WAMZKSVBYXCTBL-TVQRCGJNSA-N	-1	0	252.314	1.989	40	0		CDABRM
O=C([O-])c1cnc(N[C@H](CO)CC2CCCCC2)nc1	ZINC000520233990	391754041	/nfs/dbraw/zinc/75/40/41/391754041.db2.gz	MQRDLJYYCVUBKP-LBPRGKRZSA-N	-1	0	279.340	1.918	40	0		CDABRM
CCOC(=O)C1=NN(c2ccc(Cl)cc2)[C@H](C(=O)[O-])C1	ZINC000071979217	285672773	/nfs/dbraw/zinc/67/27/73/285672773.db2.gz	JLZSLVKXVCUKKG-NSHDSACASA-N	-1	0	296.710	1.922	40	0		CDABRM
CC1CCN(C(=S)[N-]S(=O)(=O)c2ccccc2)CC1	ZINC000005375780	170090961	/nfs/dbraw/zinc/09/09/61/170090961.db2.gz	XZGFQBWUGOIFEO-UHFFFAOYSA-N	-1	0	298.433	1.982	40	0		CDABRM
COc1cccc([C@H]2N[C@H](C(=O)[O-])Cc3[nH]cnc32)c1	ZINC000005817951	170143325	/nfs/dbraw/zinc/14/33/25/170143325.db2.gz	DDWQMCSPJFORRV-NWDGAFQWSA-N	-1	0	273.292	1.107	40	0		CDABRM
CCNS(=O)(=O)c1ccc(OCC(=O)[O-])c(Cl)c1	ZINC000020134364	171022126	/nfs/dbraw/zinc/02/21/26/171022126.db2.gz	KRYLNOKWSYZBLF-UHFFFAOYSA-N	-1	0	293.728	1.102	40	0		CDABRM
CCOc1ccc(/C=C/C(=O)N[C@@H](C)C(=O)[O-])cc1OC	ZINC000033443937	171802948	/nfs/dbraw/zinc/80/29/48/171802948.db2.gz	MEDIINVMMHZZMQ-PCGIRMHASA-N	-1	0	293.319	1.696	40	0		CDABRM
CCOC(=O)C1=NN(c2ccc(C)cc2)[C@@H](C(=O)[O-])C1	ZINC000071979196	176307894	/nfs/dbraw/zinc/30/78/94/176307894.db2.gz	YLGUODZYFIMOCW-GFCCVEGCSA-N	-1	0	276.292	1.577	40	0		CDABRM
CCn1nc(C)c(S(=O)(=O)[N-]c2cc(C)nn2C)c1C	ZINC000072239048	176347228	/nfs/dbraw/zinc/34/72/28/176347228.db2.gz	JSXYBCDYSQGENU-UHFFFAOYSA-N	-1	0	297.384	1.363	40	0		CDABRM
Cc1cc([N-]S(=O)(=O)c2cnn(C(C)C)c2)n(C)n1	ZINC000072239142	176347290	/nfs/dbraw/zinc/34/72/90/176347290.db2.gz	BAZBVSWSKBVCPC-UHFFFAOYSA-N	-1	0	283.357	1.307	40	0		CDABRM
COCc1cccc(S(=O)(=O)[N-]c2cc(C)on2)c1	ZINC000072240318	176348101	/nfs/dbraw/zinc/34/81/01/176348101.db2.gz	USZFVEKEBNUXGD-UHFFFAOYSA-N	-1	0	282.321	1.930	40	0		CDABRM
CC(=O)N[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)[O-]	ZINC000019721308	278176328	/nfs/dbraw/zinc/17/63/28/278176328.db2.gz	MPQGVZVPMHZXNT-SNVBAGLBSA-N	-1	0	275.226	1.837	40	0		CDABRM
CC(C)(C)OC(=O)N1C[C@@H](C(=O)[O-])C2(C1)CCOCC2	ZINC000091303330	278414432	/nfs/dbraw/zinc/41/44/32/278414432.db2.gz	DTRXZNCGAPCBBP-JTQLQIEISA-N	-1	0	285.340	1.735	40	0		CDABRM
CN(C)c1cccc2c1cccc2S(=O)(=O)[N-]C#N	ZINC000005611276	289418792	/nfs/dbraw/zinc/41/87/92/289418792.db2.gz	LGQWOKYYVBYHKY-UHFFFAOYSA-N	-1	0	275.333	1.665	40	0		CDABRM
Cc1ccc(C(=O)C[C@@H]([NH2+]CCC(=O)[O-])C(=O)[O-])cc1	ZINC000012651547	301491820	/nfs/dbraw/zinc/49/18/20/301491820.db2.gz	DGZDFDAVEQPSED-LLVKDONJSA-N	-1	0	279.292	1.085	40	0		CDABRM
Cc1nn(C)cc1[C@H](C)NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-]	ZINC000248010631	334293270	/nfs/dbraw/zinc/29/32/70/334293270.db2.gz	IUDUEXQDVXJUOH-ZMLRMANQSA-N	-1	0	291.351	1.573	40	0		CDABRM
O=C([O-])/C(=C\c1ccncc1)NC(=O)c1ccccc1	ZINC000008644276	534480137	/nfs/dbraw/zinc/48/01/37/534480137.db2.gz	ZTULWLDCYSYTQY-JLHYYAGUSA-N	-1	0	268.272	1.937	40	0		CDABRM
O=C([O-])Cc1csc(NC(=O)[C@@H]2CCCOC2)n1	ZINC000054768314	527640559	/nfs/dbraw/zinc/64/05/59/527640559.db2.gz	UMQQUIPRIYHOKW-SSDOTTSWSA-N	-1	0	270.310	1.135	40	0		CDABRM
O=C([O-])CCN(C(=O)c1ccc[nH]1)C1CCOCC1	ZINC000767039174	576155147	/nfs/dbraw/zinc/15/51/47/576155147.db2.gz	XAHUPGQSOOGDGL-UHFFFAOYSA-N	-1	0	266.297	1.111	40	0		CDABRM
C[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccn(C)c2)SC1=S	ZINC000008534789	1165172177	/nfs/dbraw/zinc/17/21/77/1165172177.db2.gz	HSVWVXBOBRELAU-WVXOVRIESA-N	-1	0	296.373	1.699	40	0		CDABRM
CSCC[C@@H](C(=O)[O-])n1c[n+]([O-])c(C(C)=O)c1C	ZINC000095532070	185005178	/nfs/dbraw/zinc/00/51/78/185005178.db2.gz	RMPVOWMHLZLHCQ-VIFPVBQESA-N	-1	0	272.326	1.011	40	0		CDABRM
O=C([O-])CN(CC1CC1)C(=O)[C@@H]1COc2ccccc2O1	ZINC000036884123	539141353	/nfs/dbraw/zinc/14/13/53/539141353.db2.gz	YEOIUNFYYHFBMK-ZDUSSCGKSA-N	-1	0	291.303	1.150	40	0		CDABRM
O=C([O-])c1cccc2c1CCN(C(=O)[C@H]1CCCOC1)C2	ZINC000123868866	345127921	/nfs/dbraw/zinc/12/79/21/345127921.db2.gz	YZFRKBZFZYIGGJ-LBPRGKRZSA-N	-1	0	289.331	1.696	40	0		CDABRM
C[C@@]12C=C[C@@H](O1)[C@H](C(=O)[O-])[C@@H]2C(=O)NCc1ccccc1	ZINC000033803513	348738645	/nfs/dbraw/zinc/73/86/45/348738645.db2.gz	BCRNPJSVSXFVRU-IATRGZMQSA-N	-1	0	287.315	1.347	40	0		CDABRM
CCOc1ccc2nc(S(=O)(=O)[O-])sc2c1	ZINC000165387286	348743063	/nfs/dbraw/zinc/74/30/63/348743063.db2.gz	WEHHXQZMAJEYNL-UHFFFAOYSA-N	-1	0	259.308	1.942	40	0		CDABRM
CCCC[C@@H](NC(=O)OC(C)(C)C)[C@H](O)CC(=O)[O-]	ZINC000147592675	348743541	/nfs/dbraw/zinc/74/35/41/348743541.db2.gz	SXJYRMZSGGQNDY-NXEZZACHSA-N	-1	0	275.345	1.906	40	0		CDABRM
COC(=O)[C@@H]([N-]C(=O)C(F)(F)F)c1ccccc1	ZINC000002557067	355975155	/nfs/dbraw/zinc/97/51/55/355975155.db2.gz	UZPZHEHQDFPRST-QMMMGPOBSA-N	-1	0	261.199	1.579	40	0		CDABRM
Cc1cc(Cl)ccc1OCC(=O)NCC(=O)[O-]	ZINC000001648593	355944262	/nfs/dbraw/zinc/94/42/62/355944262.db2.gz	YQULFTNMDLMCOB-UHFFFAOYSA-N	-1	0	257.673	1.228	40	0		CDABRM
O=C([O-])CCCCCN1C(=O)c2cccnc2C1=O	ZINC000001732835	355950391	/nfs/dbraw/zinc/95/03/91/355950391.db2.gz	JZQCVHJSQKRVEC-UHFFFAOYSA-N	-1	0	262.265	1.323	40	0		CDABRM
O=C([O-])CCN1C(=O)COc2cc(Cl)ccc21	ZINC000072264966	304052571	/nfs/dbraw/zinc/05/25/71/304052571.db2.gz	ACJUQGXLQDGZEX-UHFFFAOYSA-N	-1	0	255.657	1.540	40	0		CDABRM
O=C([O-])CC[C@@]12CCC(=O)N1Cc1ccccc1C2=O	ZINC000001610149	304060651	/nfs/dbraw/zinc/06/06/51/304060651.db2.gz	UYURFQNAYBSTHE-OAHLLOKOSA-N	-1	0	273.288	1.609	40	0		CDABRM
CC(C)(C)OC(=O)[C@@H]1N[C@@H](C(=O)[O-])Cc2ccccc21	ZINC000064219719	357521177	/nfs/dbraw/zinc/52/11/77/357521177.db2.gz	SFWUPCBUUHDRHB-VXGBXAGGSA-N	-1	0	277.320	1.668	40	0		CDABRM
O=C([O-])c1cnc(N2CCSCC2)nc1C1CC1	ZINC000096516673	357522145	/nfs/dbraw/zinc/52/21/45/357522145.db2.gz	SEFIVEYIZWVPSV-UHFFFAOYSA-N	-1	0	265.338	1.605	40	0		CDABRM
Cc1nnc(N2CCC[C@H](C(=O)[O-])C2)c2cccn21	ZINC000096517290	357522353	/nfs/dbraw/zinc/52/23/53/357522353.db2.gz	VGVGPRWVSVCABF-JTQLQIEISA-N	-1	0	260.297	1.339	40	0		CDABRM
Cc1ccc(F)c(NC(=O)[C@H]2[C@@H](C(=O)[O-])[C@H]3CC[C@@H]2O3)c1	ZINC000016551500	357524728	/nfs/dbraw/zinc/52/47/28/357524728.db2.gz	FFLRQQBZCLWZDY-LOWDOPEQSA-N	-1	0	293.294	1.951	40	0		CDABRM
CCCCC[C@@H](C)NC(=O)[C@H]1[C@@H](C(=O)[O-])[C@H]2CC[C@@H]1O2	ZINC000017009001	357618532	/nfs/dbraw/zinc/61/85/32/357618532.db2.gz	NLROVRSIEBLLOY-MLGHIDQZSA-N	-1	0	283.368	1.950	40	0		CDABRM
CCCSc1nnc(NC(=O)CCC(=O)[O-])s1	ZINC000026439451	358549450	/nfs/dbraw/zinc/54/94/50/358549450.db2.gz	KBQCJIKDCJMZQY-UHFFFAOYSA-N	-1	0	275.355	1.844	40	0		CDABRM
Cc1cc(C(=O)[O-])c(OCc2ccccc2)c(=O)[nH]1	ZINC000145578832	358638181	/nfs/dbraw/zinc/63/81/81/358638181.db2.gz	CNNXHBVSLMLOQP-UHFFFAOYSA-N	-1	0	259.261	1.961	40	0		CDABRM
O=C1[N-]C(=O)/C(=C/c2ccc(O)c(Br)c2)N1	ZINC000016384247	358656850	/nfs/dbraw/zinc/65/68/50/358656850.db2.gz	XVZYUOXRDBSMPD-DAXSKMNVSA-N	-1	0	283.081	1.335	40	0		CDABRM
O=C1O[C@H]([C@@H]2CO[C@H](c3ccccc3)O2)C([O-])=C1O	ZINC000100375280	358828313	/nfs/dbraw/zinc/82/83/13/358828313.db2.gz	SWTGJCNCBUCXSS-KDDOJWQBSA-N	-1	0	264.233	1.354	40	0	in-man	CDABRM
CNC(=S)Nc1cc(/C=C/C(=O)[O-])ccc1OC	ZINC000216929859	358970490	/nfs/dbraw/zinc/97/04/90/358970490.db2.gz	FNDYRSRPNKSXHX-GQCTYLIASA-N	-1	0	266.322	1.709	40	0		CDABRM
CCCNc1ccc(C(=O)[O-])cc1S(=O)(=O)NC1CC1	ZINC000217439402	359002451	/nfs/dbraw/zinc/00/24/51/359002451.db2.gz	MKOWUGYIIDYKTC-UHFFFAOYSA-N	-1	0	298.364	1.647	40	0		CDABRM
Cc1cnc(N2CCC(C(=O)[O-])CC2)nc1Cl	ZINC000072203182	359048237	/nfs/dbraw/zinc/04/82/37/359048237.db2.gz	FUPGNGVSJXKTIU-UHFFFAOYSA-N	-1	0	255.705	1.739	40	0		CDABRM
COc1ccc(CCNC(=O)N/C=C/C(=O)[O-])cc1OC	ZINC000222694324	359365640	/nfs/dbraw/zinc/36/56/40/359365640.db2.gz	CTPMBPOTKNUNJJ-SOFGYWHQSA-N	-1	0	294.307	1.144	40	0		CDABRM
O=C([O-])COc1ccc(N2C(=O)c3ccccc3C2=O)cc1	ZINC000000354826	359579130	/nfs/dbraw/zinc/57/91/30/359579130.db2.gz	XTFKBIVLUVPNBD-UHFFFAOYSA-N	-1	0	297.266	1.951	40	0		CDABRM
O=C([O-])[C@H]1[C@@H](C(=O)NCc2ccc(F)cc2)[C@H]2C=C[C@@H]1O2	ZINC000225727844	359611863	/nfs/dbraw/zinc/61/18/63/359611863.db2.gz	DYQAYSRMGPIASW-MROQNXINSA-N	-1	0	291.278	1.096	40	0		CDABRM
CC(C)NC(=S)Nc1ccc(O)c(C(=O)[O-])c1	ZINC000216928274	189707367	/nfs/dbraw/zinc/70/73/67/189707367.db2.gz	OIPQJKFKQVIRJY-UHFFFAOYSA-N	-1	0	254.311	1.785	40	0		CDABRM
CCOC(C)(C)C(=O)Nc1ccc(OCC(=O)[O-])cc1	ZINC000225646898	367347885	/nfs/dbraw/zinc/34/78/85/367347885.db2.gz	LORALSKBAWAQTI-UHFFFAOYSA-N	-1	0	281.308	1.904	40	0		CDABRM
COc1ccc(CN2C(=O)CC[C@H]2C(=O)[O-])cc1OC	ZINC000011727239	374461427	/nfs/dbraw/zinc/46/14/27/374461427.db2.gz	BXQFWBMEAYSNJQ-JTQLQIEISA-N	-1	0	279.292	1.279	40	0		CDABRM
COc1ccc(-c2ccnc3nc(CCC(=O)[O-])nn32)cc1	ZINC000012399056	374499967	/nfs/dbraw/zinc/49/99/67/374499967.db2.gz	QRRSKIWHYLQOHB-UHFFFAOYSA-N	-1	0	298.302	1.817	40	0		CDABRM
Cc1ccccc1-n1[n-]c(=O)c(N)c(Cl)c1=O	ZINC000242495755	256698591	/nfs/dbraw/zinc/69/85/91/256698591.db2.gz	GPLUYXSRMAXFIA-UHFFFAOYSA-N	-1	0	251.673	1.482	40	0		CDABRM
Cc1nc(N2CC[C@H](C(=O)[O-])C2)cc(C(F)(F)F)n1	ZINC000096516891	390531989	/nfs/dbraw/zinc/53/19/89/390531989.db2.gz	RGRRSDZONZOZSM-ZETCQYMHSA-N	-1	0	275.230	1.715	40	0		CDABRM
Cc1nc2ccccc2c(-n2cnc(C(=O)[O-])c2)n1	ZINC000096517339	390533491	/nfs/dbraw/zinc/53/34/91/390533491.db2.gz	XCQBEBBQZONHEV-UHFFFAOYSA-N	-1	0	254.249	1.822	40	0		CDABRM
C[C@H]1CCc2nn3ccn(CCC(=O)[O-])c(=O)c3c2C1	ZINC000096516336	390534027	/nfs/dbraw/zinc/53/40/27/390534027.db2.gz	IKHBIVZUHNNPBZ-VIFPVBQESA-N	-1	0	275.308	1.096	40	0		CDABRM
CC(C)(C)OC(=O)N1C[C@H]2CC(C(=O)[O-])C[C@@H](C1)C2O	ZINC000026441817	391108640	/nfs/dbraw/zinc/10/86/40/391108640.db2.gz	JJEHZRDDKKZVAK-GGWWSXTCSA-N	-1	0	285.340	1.325	40	0		CDABRM
CC(C)CCC[C@H](C)NC(=O)[C@@H]1[C@@H](C(=O)[O-])[C@H]2C=C[C@@H]1O2	ZINC000225708381	391976082	/nfs/dbraw/zinc/97/60/82/391976082.db2.gz	XYPIQJJOFTYTTL-HPCHECBXSA-N	-1	0	295.379	1.972	40	0		CDABRM
CCS(=O)(=O)[C@@H]1[C@@H](c2ccc(F)cc2)[C@H]1C(=O)[O-]	ZINC000218424023	130768732	/nfs/dbraw/zinc/76/87/32/130768732.db2.gz	XZUXFHCEUDLFLX-HBNTYKKESA-N	-1	0	272.297	1.427	40	0		CDABRM
O=C([O-])[C@H]1[C@@H]2C=C[C@@H](O2)[C@H]1C(=O)Nc1ccc(F)c(F)c1	ZINC000006330019	170191772	/nfs/dbraw/zinc/19/17/72/170191772.db2.gz	RAUJJXSCNLQUIA-KXNHARMFSA-N	-1	0	295.241	1.558	40	0		CDABRM
CC(=O)NC(=S)Nc1ccc(C(=O)[O-])cc1C	ZINC000020151220	171037827	/nfs/dbraw/zinc/03/78/27/171037827.db2.gz	NEPPEILTYHULJR-UHFFFAOYSA-N	-1	0	252.295	1.526	40	0		CDABRM
CN(CCC(=O)[O-])Cc1ccn(-c2cccc(F)c2)n1	ZINC000659791762	412481752	/nfs/dbraw/zinc/48/17/52/412481752.db2.gz	FKWQLMDJQPBMBG-UHFFFAOYSA-N	-1	0	277.299	1.918	40	0		CDABRM
O=C([O-])C[C@H]1COCCN1C(=O)OCc1ccccc1	ZINC000038531904	174144135	/nfs/dbraw/zinc/14/41/35/174144135.db2.gz	LPLJSOYTOLXMBJ-LBPRGKRZSA-N	-1	0	279.292	1.499	40	0		CDABRM
Cn1cc(C(=O)[O-])c(=O)c2cc(Br)ccc21	ZINC000040175614	174201011	/nfs/dbraw/zinc/20/10/11/174201011.db2.gz	HRMDDQNQONYWKA-UHFFFAOYSA-N	-1	0	282.093	1.999	40	0		CDABRM
CCOC(=O)C1=NN(c2ccccc2Cl)[C@@H](C(=O)[O-])C1	ZINC000071979238	176307539	/nfs/dbraw/zinc/30/75/39/176307539.db2.gz	ZJVWMIYLOIFWTK-LLVKDONJSA-N	-1	0	296.710	1.922	40	0		CDABRM
C[C@@H](C[C@@H]1NCc2ccccc2N1)n1[n-]c(=O)ccc1=O	ZINC000409202482	261148245	/nfs/dbraw/zinc/14/82/45/261148245.db2.gz	SUEAHWBBGNSXPD-GXFFZTMASA-N	-1	0	286.335	1.441	40	0		CDABRM
CC(=O)N[C@H](Cc1cc(C)c(O)c(C)c1)C(=O)[O-]	ZINC000006233178	278176183	/nfs/dbraw/zinc/17/61/83/278176183.db2.gz	YJPOHZIDVHPMSD-LLVKDONJSA-N	-1	0	251.282	1.141	40	0		CDABRM
CC(=O)Nc1ccc(S(=O)(=O)[O-])c(C(F)(F)F)c1	ZINC000001595343	278203246	/nfs/dbraw/zinc/20/32/46/278203246.db2.gz	SFTXUDIQPQAUTL-UHFFFAOYSA-N	-1	0	283.227	1.911	40	0		CDABRM
CC(C)(C)OC(=O)N1CCC[C@]2(C[C@H](C(=O)[O-])CO2)C1	ZINC000091303331	278397526	/nfs/dbraw/zinc/39/75/26/278397526.db2.gz	PDXXKWSPNUKXNX-HZMBPMFUSA-N	-1	0	285.340	1.877	40	0		CDABRM
COc1ccc(NC(=O)[C@@H](CC(=O)[O-])[C@@H]2CCCO2)cc1	ZINC000005249235	295160361	/nfs/dbraw/zinc/16/03/61/295160361.db2.gz	OIUDQFMGCUOGOV-STQMWFEESA-N	-1	0	293.319	1.904	40	0		CDABRM
Cc1cc(C)cc(NC(=O)[C@H]2[C@@H](C(=O)[O-])[C@H]3C=C[C@@H]2O3)c1	ZINC000169363736	301226888	/nfs/dbraw/zinc/22/68/88/301226888.db2.gz	HZGCKDDXNQCAME-DGAVXFQQSA-N	-1	0	287.315	1.896	40	0		CDABRM
O=C(CNc1ccccc1Cl)N[C@H]1C[C@@H](C(=O)[O-])C1	ZINC000666366589	482670783	/nfs/dbraw/zinc/67/07/83/482670783.db2.gz	LBCTXLSUZQXJBB-DTORHVGOSA-N	-1	0	282.727	1.731	40	0		CDABRM
O=C([O-])CCN(Cc1ccccc1)C(=O)C1CCOCC1	ZINC000675946316	483385237	/nfs/dbraw/zinc/38/52/37/483385237.db2.gz	CQPNHLMWWVMZRW-UHFFFAOYSA-N	-1	0	291.347	1.917	40	0		CDABRM
O=C([O-])[C@H]1CC(=O)N(C[C@@H]2CCCO2)[C@H]1c1ccccc1	ZINC000049466513	526317167	/nfs/dbraw/zinc/31/71/67/526317167.db2.gz	GJUBBFPRPXTLSH-YDHLFZDLSA-N	-1	0	289.331	1.840	40	0		CDABRM
CCCC[C@@H](NC(=O)Cc1c(C)noc1C)C(=O)[O-]	ZINC000035096010	528838397	/nfs/dbraw/zinc/83/83/97/528838397.db2.gz	SOYJLSYSVYEXTH-LLVKDONJSA-N	-1	0	268.313	1.594	40	0		CDABRM
CC[C@@](C)(NC(=O)c1cccc(C[S@@](C)=O)c1)C(=O)[O-]	ZINC000262076384	535999811	/nfs/dbraw/zinc/99/98/11/535999811.db2.gz	DOXRRLJFIDNKRK-JLTOFOAXSA-N	-1	0	297.376	1.548	40	0		CDABRM
COc1ccc(NC(=O)N/C=C/C(=O)[O-])c(OC)c1	ZINC000222697807	536788047	/nfs/dbraw/zinc/78/80/47/536788047.db2.gz	MQCVPENZLWSPBX-AATRIKPKSA-N	-1	0	266.253	1.424	40	0		CDABRM
O=C([O-])[C@@H](CCc1ccccc1)N1CCS(=O)CC1	ZINC000903892250	626123838	/nfs/dbraw/zinc/12/38/38/626123838.db2.gz	ZELFNIBTDZMJFA-CYBMUJFWSA-N	-1	0	281.377	1.137	40	0		CDABRM
C=C(C(=O)[O-])[C@@H]1CC[C@]2(C)CC[C@H](O)[C@@](C)(O)[C@@H]2C1	ZINC000015057650	1159589083	/nfs/dbraw/zinc/58/90/83/1159589083.db2.gz	SVUDFAVZLCGQAU-AMVBZWJASA-N	-1	0	268.353	1.956	40	0	biogenic,in-vitro	CDABRM
COc1nc(OC)c(C(=O)[O-])cc1Br	ZINC000221528382	1177917058	/nfs/dbraw/zinc/91/70/58/1177917058.db2.gz	JKSPOJCCZWMMCA-UHFFFAOYSA-N	-1	0	262.059	1.560	40	0		CDABRM
CNc1ccc(S(=O)(=O)NC(C)C)cc1C(=O)[O-]	ZINC000082577577	178117618	/nfs/dbraw/zinc/11/76/18/178117618.db2.gz	XSPGVHRJOHFGQX-UHFFFAOYSA-N	-1	0	272.326	1.113	40	0		CDABRM
C[N@H+]1CC=C(c2c(C(=O)[O-])nnn2-c2ccccc2)CC1	ZINC000096031994	185067570	/nfs/dbraw/zinc/06/75/70/185067570.db2.gz	DOUAYVOSLQHSSD-UHFFFAOYSA-N	-1	0	284.319	1.684	40	0		CDABRM
Cc1ccc(S(=O)(=O)[N-]c2nnc[nH]2)cc1C	ZINC000061844824	362322176	/nfs/dbraw/zinc/32/21/76/362322176.db2.gz	UJEQSTGKPJJXKC-UHFFFAOYSA-N	-1	0	252.299	1.222	40	0		CDABRM
CCOC(=O)c1nnc(COc2ccc(OC)cc2)[n-]1	ZINC000085385740	179046370	/nfs/dbraw/zinc/04/63/70/179046370.db2.gz	FUQQKUNVAKBPJL-UHFFFAOYSA-N	-1	0	277.280	1.569	40	0		CDABRM
C[C@@H]1CCCCN1c1nsnc1OCC(=O)[O-]	ZINC000085394171	179048364	/nfs/dbraw/zinc/04/83/64/179048364.db2.gz	CIZIYUPWRYSAPG-SSDOTTSWSA-N	-1	0	257.315	1.380	40	0		CDABRM
CC1=CC[C@H]2C(=O)N([C@@H](CC(C)C)C(=O)[O-])C(=O)[C@@H]2C1	ZINC000100770265	185724468	/nfs/dbraw/zinc/72/44/68/185724468.db2.gz	MZXRNJVEPRVAOA-UTUOFQBUSA-N	-1	0	279.336	1.827	40	0		CDABRM
O=C([O-])c1csc(CCNC(=O)[C@@H]2CC=CCC2)n1	ZINC000090939493	180068001	/nfs/dbraw/zinc/06/80/01/180068001.db2.gz	XPRJYPMEFBYNEP-SECBINFHSA-N	-1	0	280.349	1.856	40	0		CDABRM
CC(C)(C)c1ccc([C@H]2CNC(=O)[C@@H]2C(=O)[O-])cc1	ZINC000256055020	350909719	/nfs/dbraw/zinc/90/97/19/350909719.db2.gz	YVBIPAMGEIVXOI-VXGBXAGGSA-N	-1	0	261.321	1.898	40	0		CDABRM
CC[C@@H](S[C@H](C(=O)[O-])c1ccccc1)C(N)=O	ZINC000001751567	355950940	/nfs/dbraw/zinc/95/09/40/355950940.db2.gz	KZJVLZNKMHIYCB-ZJUUUORDSA-N	-1	0	253.323	1.809	40	0		CDABRM
CCOC(=O)NC(=O)[N-]n1c(C(F)(F)F)n[nH]c1=S	ZINC000003850800	356011313	/nfs/dbraw/zinc/01/13/13/356011313.db2.gz	UHDCXGXHMJMBLQ-UHFFFAOYSA-N	-1	0	299.234	1.369	40	0		CDABRM
O=C([O-])CCCCSc1ncnc2n[nH]nc21	ZINC000025578818	356678047	/nfs/dbraw/zinc/67/80/47/356678047.db2.gz	FAQVPLXZJNYGCN-UHFFFAOYSA-N	-1	0	253.287	1.095	40	0		CDABRM
Nc1n[nH]c(SCc2ccccc2C(=O)[O-])n1	ZINC000041064594	357020233	/nfs/dbraw/zinc/02/02/33/357020233.db2.gz	BPJQDBFSKVDDKM-UHFFFAOYSA-N	-1	0	250.283	1.377	40	0		CDABRM
CC(C)[C@H](N[C@@H]1CC(c2ccco2)=NN1)C(=O)[O-]	ZINC000005633373	358720232	/nfs/dbraw/zinc/72/02/32/358720232.db2.gz	ICFOLRWGJBTDQK-QWRGUYRKSA-N	-1	0	251.286	1.002	40	0		CDABRM
O=C([O-])C[C@@H]1NC(=O)N(c2cccc(Cl)c2)C1=O	ZINC000033829661	359367307	/nfs/dbraw/zinc/36/73/07/359367307.db2.gz	MGXOWLALRCYISZ-QMMMGPOBSA-N	-1	0	268.656	1.240	40	0		CDABRM
CCCOc1ccccc1/C=C/C(=O)NCC(=O)[O-]	ZINC000033439574	359332711	/nfs/dbraw/zinc/33/27/11/359332711.db2.gz	LREPOKLLBSJSEO-BQYQJAHWSA-N	-1	0	263.293	1.689	40	0		CDABRM
CCN(c1ccccc1C(=O)[O-])S(=O)(=O)CC	ZINC000011804521	360322160	/nfs/dbraw/zinc/32/21/60/360322160.db2.gz	VJYRNJHUEXHGDR-UHFFFAOYSA-N	-1	0	257.311	1.561	40	0		CDABRM
O=C([O-])[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)NCc1ccccc1F	ZINC000169306099	304155614	/nfs/dbraw/zinc/15/56/14/304155614.db2.gz	ZCWNOFNGHFABLS-GIFSMMMISA-N	-1	0	289.306	1.965	40	0		CDABRM
O=C([O-])c1n[nH]c(NC(=S)Nc2ccccc2)n1	ZINC000006276906	304283241	/nfs/dbraw/zinc/28/32/41/304283241.db2.gz	WFWIKOFOIFYHNK-UHFFFAOYSA-N	-1	0	263.282	1.312	40	0		CDABRM
Cc1c(O)c(C(=O)[O-])c(O)c2c1[C@H](C)[C@@H](C)OC2=O	ZINC000006069169	391631135	/nfs/dbraw/zinc/63/11/35/391631135.db2.gz	VVVMDYGNIVXIIG-INEUFUBQSA-N	-1	0	266.249	1.767	40	0	biogenic,in-vitro	CDABRM
COc1ccc([C@@H]2COC(=O)[C@@H]2C(=O)[O-])cc1OC	ZINC000242592442	391943521	/nfs/dbraw/zinc/94/35/21/391943521.db2.gz	OUQWZIPKUAMFEX-KWQFWETISA-N	-1	0	266.249	1.045	40	0		CDABRM
O=C([O-])c1ccc(CC(=O)NC[C@@H]2CCCC[C@H]2O)cc1	ZINC000263330556	131289968	/nfs/dbraw/zinc/28/99/68/131289968.db2.gz	LXOKTWMMOUIEGN-UONOGXRCSA-N	-1	0	291.347	1.595	40	0		CDABRM
O=C([O-])[C@@H]1[C@@H](C(=O)Nc2ccc(F)c(F)c2)[C@H]2C=C[C@@H]1O2	ZINC000006330064	170191942	/nfs/dbraw/zinc/19/19/42/170191942.db2.gz	RAUJJXSCNLQUIA-RHYQMDGZSA-N	-1	0	295.241	1.558	40	0		CDABRM
Cn1nnnc1SCc1ccc(C(=O)[O-])cc1	ZINC000006827870	170247547	/nfs/dbraw/zinc/24/75/47/170247547.db2.gz	UHGCMJRMBAWXTD-UHFFFAOYSA-N	-1	0	250.283	1.201	40	0		CDABRM
CNC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1	ZINC000007054402	170264480	/nfs/dbraw/zinc/26/44/80/170264480.db2.gz	AGRUTEOOROVQNX-UHFFFAOYSA-N	-1	0	296.373	1.909	40	0		CDABRM
CCOC(=O)C=C([O-])c1c(OC)cccc1OC	ZINC000021986613	171345516	/nfs/dbraw/zinc/34/55/16/171345516.db2.gz	BRLFOVUCDCNWOK-UHFFFAOYSA-N	-1	0	252.266	1.840	40	0		CDABRM
COc1cccc([C@@H](C(=O)[O-])N2CCOCC2)c1OC	ZINC000037359359	173149200	/nfs/dbraw/zinc/14/92/00/173149200.db2.gz	LKEIVNXTAAEXQL-LBPRGKRZSA-N	-1	0	281.308	1.162	40	0		CDABRM
Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccoc2)s1	ZINC000042317021	174682813	/nfs/dbraw/zinc/68/28/13/174682813.db2.gz	VAZSZBWJAKGLGG-UHFFFAOYSA-N	-1	0	271.319	1.768	40	0		CDABRM
Cc1nn(C)c(C)c1C(=O)N1CCC[C@H](CCC(=O)[O-])C1	ZINC000043589675	175073463	/nfs/dbraw/zinc/07/34/63/175073463.db2.gz	MJVGHLFEOSYHGU-GFCCVEGCSA-N	-1	0	293.367	1.754	40	0		CDABRM
O=C([O-])CCc1nc(CC(=O)NC2CCCCC2)no1	ZINC000049470279	175481512	/nfs/dbraw/zinc/48/15/12/175481512.db2.gz	OAKKBIHEFPRRMD-UHFFFAOYSA-N	-1	0	281.312	1.078	40	0		CDABRM
CSc1ccc(-c2ncc(C(=O)[O-])c(=O)[nH]2)cc1	ZINC000078404254	177338422	/nfs/dbraw/zinc/33/84/22/177338422.db2.gz	PYDMNWDIGQECPO-UHFFFAOYSA-N	-1	0	262.290	1.857	40	0		CDABRM
Cc1nc2c(c(N3CCC[C@H](C(=O)[O-])C3)n1)CCC2	ZINC000096516880	302648617	/nfs/dbraw/zinc/64/86/17/302648617.db2.gz	DAOHQXNGAPRRND-JTQLQIEISA-N	-1	0	261.325	1.575	40	0		CDABRM
Cn1cnc(C(=O)NC2(CC(=O)[O-])CCCCC2)c1	ZINC000236096335	482555316	/nfs/dbraw/zinc/55/53/16/482555316.db2.gz	URYIQHIKFLFVHD-UHFFFAOYSA-N	-1	0	265.313	1.328	40	0		CDABRM
Cc1cc(C(=O)N(CCC(=O)[O-])CC2CC2)nn1C	ZINC000675971061	483388309	/nfs/dbraw/zinc/38/83/09/483388309.db2.gz	BXQUQVRBTSFLTB-UHFFFAOYSA-N	-1	0	265.313	1.055	40	0		CDABRM