smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(c1ccc2ccccc2c1)c1cnc2ccccc2c1[O-]	ZINC000090623672	180015012	/nfs/dbraw/zinc/01/50/12/180015012.db2.gz	MQJXYXBBQAYJAD-UHFFFAOYSA-N	-1	3	299.329	3.912	10	0		CHAEHM
Cc1ccc(C(=O)Nc2cc(Cl)ccc2F)c([O-])c1	ZINC000035185107	172038727	/nfs/dbraw/zinc/03/87/27/172038727.db2.gz	YIFGLUQSWFMZRJ-UHFFFAOYSA-N	-1	3	279.698	3.745	10	0		CHAEHM
CC[C@H](C)N[C@@H](C(=O)[O-])c1c(Cl)cccc1Cl	ZINC000038066005	174077759	/nfs/dbraw/zinc/07/77/59/174077759.db2.gz	DRSDOEMXIOLIRK-WRWORJQWSA-N	-1	3	276.163	3.507	10	0		CHAEHM
Cc1cccc(Cl)c1NC(=O)c1cccc([O-])c1	ZINC000039758585	174172375	/nfs/dbraw/zinc/17/23/75/174172375.db2.gz	PDGCQBNJYSHDLL-UHFFFAOYSA-N	-1	3	261.708	3.606	10	0		CHAEHM
CSc1ccc([C@H](C)N2CCCC[C@@H]2C(=O)[O-])cc1F	ZINC000263437120	330055731	/nfs/dbraw/zinc/05/57/31/330055731.db2.gz	UZHUVXOGHYHQPO-GXFFZTMASA-N	-1	3	297.395	3.548	10	0		CHAEHM
C[C@@H]1C[C@H](C(=O)Nc2cccc([O-])c2F)CC(C)(C)C1	ZINC000182950049	335852400	/nfs/dbraw/zinc/85/24/00/335852400.db2.gz	MCLAVJFXFNDSFF-MNOVXSKESA-N	-1	3	279.355	3.932	10	0		CHAEHM
C[C@@H](N[C@@H](C)c1ccc(Cl)c(Cl)c1Cl)C(=O)[O-]	ZINC000049357322	525607805	/nfs/dbraw/zinc/60/78/05/525607805.db2.gz	GVPCVAPMSYUHHZ-NTSWFWBYSA-N	-1	3	296.581	3.771	10	0		CHAEHM
C[C@H](NCc1csc(C(=O)[O-])c1)c1ccc(Cl)cc1	ZINC000689152669	976233647	/nfs/dbraw/zinc/23/36/47/976233647.db2.gz	GGHHUWJLYVUJBG-VIFPVBQESA-N	-1	3	295.791	3.951	10	0		CHAEHM
Cc1ccc(C(=O)c2cnc3cc(F)ccc3c2[O-])cc1	ZINC000085346374	179028876	/nfs/dbraw/zinc/02/88/76/179028876.db2.gz	RJQJFLXKRYNIMS-UHFFFAOYSA-N	-1	3	281.286	3.619	10	0		CHAEHM
O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc([O-])cc1	ZINC000019838528	170886797	/nfs/dbraw/zinc/88/67/97/170886797.db2.gz	PRXNOFMDEHRSPA-UHFFFAOYSA-N	-1	3	282.126	3.951	10	0		CHAEHM
Cc1cccc(C(=O)Nc2cccc(Cl)c2F)c1[O-]	ZINC000020363103	171162195	/nfs/dbraw/zinc/16/21/95/171162195.db2.gz	ZFAQMZDIDPAPBX-UHFFFAOYSA-N	-1	3	279.698	3.745	10	0		CHAEHM
O=C1Cc2ccccc2N1c1c(Cl)cc([O-])cc1Cl	ZINC000022057010	171351092	/nfs/dbraw/zinc/35/10/92/171351092.db2.gz	QZGDFRBQDMINQA-UHFFFAOYSA-N	-1	3	294.137	3.920	10	0	in-vitro	CHAEHM
Cc1cc(C)cc(-c2nc(-c3ccc([O-])cc3)no2)c1	ZINC000020432783	262249736	/nfs/dbraw/zinc/24/97/36/262249736.db2.gz	HRLXXNDQDRCNII-UHFFFAOYSA-N	-1	3	266.300	3.726	10	0		CHAEHM
O=C(c1cc([O-])ccc1Cl)N1CCC12CCCCC2	ZINC000368146020	267148415	/nfs/dbraw/zinc/14/84/15/267148415.db2.gz	DGWWUBHRVLBONA-UHFFFAOYSA-N	-1	3	279.767	3.594	10	0		CHAEHM
Cc1ccc([C@@H]2CCCCN2C(=O)c2cccc([O-])c2)o1	ZINC000182500096	329242554	/nfs/dbraw/zinc/24/25/54/329242554.db2.gz	VWLMHXWIKFCNLI-HNNXBMFYSA-N	-1	3	285.343	3.661	10	0		CHAEHM
CCc1cc(=O)[n-]c(CN[C@H](C)c2ccc(C(C)C)cc2)n1	ZINC000177505055	333060032	/nfs/dbraw/zinc/06/00/32/333060032.db2.gz	ONGKHELSRWIMPB-CYBMUJFWSA-N	-1	3	299.418	3.719	10	0		CHAEHM
C[C@H](N[C@@H](C)c1ccc(Cl)c(Cl)c1Cl)C(=O)[O-]	ZINC000049357313	525527776	/nfs/dbraw/zinc/52/77/76/525527776.db2.gz	GVPCVAPMSYUHHZ-WDSKDSINSA-N	-1	3	296.581	3.771	10	0		CHAEHM
CC(C)(C)c1ccc(O)c(Cc2ccccc2[O-])c1	ZINC000005284286	170082879	/nfs/dbraw/zinc/08/28/79/170082879.db2.gz	QDTJNCJDKXCFCE-UHFFFAOYSA-N	-1	3	256.345	3.986	10	0		CHAEHM
CCCc1cc(=O)[n-]c(-c2cc(Cl)cc(Cl)c2)n1	ZINC000037425081	173199067	/nfs/dbraw/zinc/19/90/67/173199067.db2.gz	QHUXENCUKQUYDN-UHFFFAOYSA-N	-1	3	283.158	3.696	10	0		CHAEHM
CC[C@H](C)N[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl	ZINC000038066413	174077681	/nfs/dbraw/zinc/07/76/81/174077681.db2.gz	JXXDMKJCTWRWLX-WRWORJQWSA-N	-1	3	276.163	3.507	10	0		CHAEHM
CC(=O)Nc1cccc(-c2cc([O-])cc(Cl)c2)c1	ZINC000065343386	175712463	/nfs/dbraw/zinc/71/24/63/175712463.db2.gz	PLKZPDWXNCIQST-UHFFFAOYSA-N	-1	3	261.708	3.671	10	0		CHAEHM
C[C@@]1(C(=O)Nc2ccccc2[O-])CCCc2ccccc21	ZINC000101630795	328364105	/nfs/dbraw/zinc/36/41/05/328364105.db2.gz	BCUALCNMEPNURK-GOSISDBHSA-N	-1	3	281.355	3.625	10	0		CHAEHM
c1csc(-c2nc(-c3cc4ccccc4o3)n[n-]2)c1	ZINC000054699971	526574404	/nfs/dbraw/zinc/57/44/04/526574404.db2.gz	SISSSVRUGJVHQR-UHFFFAOYSA-N	-1	3	267.313	3.946	10	0		CHAEHM
C[C@H](CC1CCCCC1)N[C@@H](C)c1ncc(C(=O)[O-])s1	ZINC000709929570	977472786	/nfs/dbraw/zinc/47/27/86/977472786.db2.gz	DKVOMCCOAMEFJY-MNOVXSKESA-N	-1	3	296.436	3.851	10	0		CHAEHM
CC(C)(C)C1=CCN(Cc2cc(C(=O)[O-])cs2)CC1	ZINC000711406334	977543377	/nfs/dbraw/zinc/54/33/77/977543377.db2.gz	GHURQFULILCKBH-UHFFFAOYSA-N	-1	3	279.405	3.625	10	0		CHAEHM
CCOC(=O)c1cc([O-])c2cccc(C(F)(F)F)c2c1	ZINC000095937656	185034244	/nfs/dbraw/zinc/03/42/44/185034244.db2.gz	MHZUNHRLRJWHEV-UHFFFAOYSA-N	-1	3	284.233	3.741	10	0		CHAEHM
O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc([O-])cc1	ZINC000019838634	170887590	/nfs/dbraw/zinc/88/75/90/170887590.db2.gz	ONDZOCFMKJMXSG-UHFFFAOYSA-N	-1	3	282.126	3.951	10	0		CHAEHM
Cc1cccc(C(=O)Nc2ccc(Cl)cc2)c1[O-]	ZINC000021010848	171286709	/nfs/dbraw/zinc/28/67/09/171286709.db2.gz	CWKWDEXIDFXGFP-UHFFFAOYSA-N	-1	3	261.708	3.606	10	0		CHAEHM
CC[C@H](NCCC(=O)[O-])c1ccc(Cl)cc1Cl	ZINC000035625530	172305127	/nfs/dbraw/zinc/30/51/27/172305127.db2.gz	APTMZQXMIRPJSZ-NSHDSACASA-N	-1	3	276.163	3.509	10	0		CHAEHM
Cc1ccccc1C(=O)Nc1c2ccccc2oc1C(=O)[O-]	ZINC000040166176	174197613	/nfs/dbraw/zinc/19/76/13/174197613.db2.gz	BHUPHRFVLJUCEL-UHFFFAOYSA-N	-1	3	295.294	3.692	10	0		CHAEHM
[O-]c1c(F)c(Br)ccc1OCc1ccccc1	ZINC000072190253	176335566	/nfs/dbraw/zinc/33/55/66/176335566.db2.gz	HHEIKLLCENKURQ-UHFFFAOYSA-N	-1	3	297.123	3.873	10	0		CHAEHM
Cc1ccc(CC(=O)Nc2cc(Cl)ccc2[O-])s1	ZINC000101652439	260959726	/nfs/dbraw/zinc/95/97/26/260959726.db2.gz	BRAIOLRCGMTWPX-UHFFFAOYSA-N	-1	3	281.764	3.597	10	0		CHAEHM
Cc1cccc([O-])c1NC(=O)[C@H]1C[C@@H]1C1CCCCC1	ZINC000183081284	333118936	/nfs/dbraw/zinc/11/89/36/333118936.db2.gz	XZARKTWMRPHHHX-KGLIPLIRSA-N	-1	3	273.376	3.856	10	0		CHAEHM
COC(C)(C)c1nc2c(Br)cccc2cc1[O-]	ZINC000725267515	570263179	/nfs/dbraw/zinc/26/31/79/570263179.db2.gz	MXEAYTRDHWFWFN-UHFFFAOYSA-N	-1	3	296.164	3.584	10	0		CHAEHM
CCC(C)(C)c1nc2cc(C)c(C(C)C)c([O-])n2n1	ZINC000725242931	570255182	/nfs/dbraw/zinc/25/51/82/570255182.db2.gz	BAGFKQZTWHNGHM-UHFFFAOYSA-N	-1	3	261.369	3.554	10	0		CHAEHM
Cc1cccc([C@H](C)NCc2csc(C(=O)[O-])c2)c1	ZINC000689176374	976239072	/nfs/dbraw/zinc/23/90/72/976239072.db2.gz	WOJSIKOKEVZBRH-NSHDSACASA-N	-1	3	275.373	3.606	10	0		CHAEHM
O=C([O-])c1cccc(CN2CCC23CCCC3)c1Cl	ZINC000707302600	977381495	/nfs/dbraw/zinc/38/14/95/977381495.db2.gz	YZOBWQXPWOXJSI-UHFFFAOYSA-N	-1	3	279.767	3.557	10	0		CHAEHM
COc1ncc(-c2ccc(F)c(C=O)c2)c2c([O-])cccc12	ZINC000090555755	180003811	/nfs/dbraw/zinc/00/38/11/180003811.db2.gz	GHUUWAXAWJALTJ-UHFFFAOYSA-N	-1	3	297.285	3.568	10	0		CHAEHM
CC[C@@H](c1cccc(Cl)c1)N1CCC(C(=O)[O-])CC1	ZINC000006440533	170201568	/nfs/dbraw/zinc/20/15/68/170201568.db2.gz	WUCFBCMZEQITEF-AWEZNQCLSA-N	-1	3	281.783	3.588	10	0		CHAEHM
C[C@]12CC[C@@H]3c4ccc([O-])c(F)c4CC[C@H]3[C@@H]1CCC2=O	ZINC000006500099	170207759	/nfs/dbraw/zinc/20/77/59/170207759.db2.gz	VAJIVJCXOGUMLA-QDTBLXIISA-N	-1	3	288.362	3.957	10	0		CHAEHM
Cc1ccc([O-])c(C(=O)Nc2cccc(Cl)c2F)c1	ZINC000020363110	171162263	/nfs/dbraw/zinc/16/22/63/171162263.db2.gz	VWSTWHLGPZHAPX-UHFFFAOYSA-N	-1	3	279.698	3.745	10	0		CHAEHM
[O-]c1cc(O)c(-c2ccccc2)cc1Br	ZINC000039119191	174163329	/nfs/dbraw/zinc/16/33/29/174163329.db2.gz	CDNIWJHGJLNDQO-UHFFFAOYSA-N	-1	3	265.106	3.527	10	0		CHAEHM
Cc1cc(=S)[n-]c2c(Br)cccc12	ZINC000040175150	174200911	/nfs/dbraw/zinc/20/09/11/174200911.db2.gz	CINMJDUURHWJID-UHFFFAOYSA-N	-1	3	254.152	3.594	10	0		CHAEHM
[O-]c1cc(Br)cc(-c2cc(F)ccc2O)c1	ZINC000065343799	175713152	/nfs/dbraw/zinc/71/31/52/175713152.db2.gz	GOJTYVDGAGFVAP-UHFFFAOYSA-N	-1	3	283.096	3.666	10	0		CHAEHM
O=C(c1cc([O-])ccc1Cl)N1CCCC12CCCC2	ZINC000311745430	262340699	/nfs/dbraw/zinc/34/06/99/262340699.db2.gz	BWKHJFFUAWKLOE-UHFFFAOYSA-N	-1	3	279.767	3.594	10	0		CHAEHM
CC[C@@H](N[C@@H](C)C(=O)[O-])c1ccc(Cl)cc1Cl	ZINC000049356104	522907827	/nfs/dbraw/zinc/90/78/27/522907827.db2.gz	YRWBARCVYIQITD-WRWORJQWSA-N	-1	3	276.163	3.507	10	0		CHAEHM
CC[C@@H](OC)c1noc(-c2cc3ccccc3cc2[O-])n1	ZINC000157365905	523024610	/nfs/dbraw/zinc/02/46/10/523024610.db2.gz	ODTMEVDWPPQOTO-CQSZACIVSA-N	-1	3	284.315	3.693	10	0		CHAEHM
CSc1c(C(=O)[O-])oc2ccc(Br)cc21	ZINC000584881746	567882773	/nfs/dbraw/zinc/88/27/73/567882773.db2.gz	OZBOQHJLYOYLFD-UHFFFAOYSA-N	-1	3	287.134	3.615	10	0		CHAEHM
CCCOC(=O)N([O-])c1ccc(Cl)c(Cl)c1	ZINC000004550714	567946032	/nfs/dbraw/zinc/94/60/32/567946032.db2.gz	RTOAELYIJFQIRA-UHFFFAOYSA-N	-1	3	264.108	3.736	10	0		CHAEHM
Cc1ncc2c(c1[O-])CN(c1ccc(C(C)C)cc1)C2	ZINC000196799696	189682805	/nfs/dbraw/zinc/68/28/05/189682805.db2.gz	MWLQIRVURDJSBT-UHFFFAOYSA-N	-1	3	268.360	3.739	10	0		CHAEHM
CCCCCCO[N-]C(=O)Nc1ccc(C)cc1	ZINC000005951154	170161055	/nfs/dbraw/zinc/16/10/55/170161055.db2.gz	SRTNFNDUNABGRB-UHFFFAOYSA-N	-1	3	250.342	3.628	10	0		CHAEHM
Cc1cc(=S)[n-]c2ccc(Br)cc12	ZINC000007277807	170275727	/nfs/dbraw/zinc/27/57/27/170275727.db2.gz	PRHMIVNTCDJOFP-UHFFFAOYSA-N	-1	3	254.152	3.968	10	0		CHAEHM
Cc1ccc(/C=C/C(=O)Nc2ccc(C)cc2[O-])cc1	ZINC000008378885	170334205	/nfs/dbraw/zinc/33/42/05/170334205.db2.gz	JOJLBKOSTROFDG-CSKARUKUSA-N	-1	3	267.328	3.661	10	0		CHAEHM
CC[C@@H](C)N[C@H](C(=O)[O-])c1c(Cl)cccc1Cl	ZINC000038066002	174077321	/nfs/dbraw/zinc/07/73/21/174077321.db2.gz	DRSDOEMXIOLIRK-HQJQHLMTSA-N	-1	3	276.163	3.507	10	0		CHAEHM
CC[C@@H](C)N[C@H](C(=O)[O-])c1cccc(Cl)c1Cl	ZINC000038065994	174077737	/nfs/dbraw/zinc/07/77/37/174077737.db2.gz	XXUNPHBZTWMLCH-HQJQHLMTSA-N	-1	3	276.163	3.507	10	0		CHAEHM
CC(=O)c1c([O-])c2ccccc2n1Cc1ccccc1	ZINC000039240063	174166640	/nfs/dbraw/zinc/16/66/40/174166640.db2.gz	RAZLYGXZKDEJDT-UHFFFAOYSA-N	-1	3	265.312	3.598	10	0		CHAEHM
COc1ccc(-c2cc([O-])cc(F)c2)cc1Cl	ZINC000065341049	175710827	/nfs/dbraw/zinc/71/08/27/175710827.db2.gz	SYWGZDYQCCNFRS-UHFFFAOYSA-N	-1	3	252.672	3.860	10	0		CHAEHM
COc1ccc(Cl)c(-c2ccc([O-])cc2F)c1	ZINC000065341044	175710849	/nfs/dbraw/zinc/71/08/49/175710849.db2.gz	FZVLCLDJSMBTAT-UHFFFAOYSA-N	-1	3	252.672	3.860	10	0		CHAEHM
C[C@H](NC(=O)c1cccc([O-])c1)c1ccc(Cl)s1	ZINC000042593615	329573885	/nfs/dbraw/zinc/57/38/85/329573885.db2.gz	XVLSRMLKYMGALL-QMMMGPOBSA-N	-1	3	281.764	3.598	10	0		CHAEHM
CCC(CC)c1nc2cc(C)c(C(C)C)c([O-])n2n1	ZINC000725243223	570255067	/nfs/dbraw/zinc/25/50/67/570255067.db2.gz	QKNXMNVHLTYDSE-UHFFFAOYSA-N	-1	3	261.369	3.770	10	0		CHAEHM
Cc1ccc(C(=O)Nc2cccc(Cl)c2F)c([O-])c1	ZINC000020363106	171162242	/nfs/dbraw/zinc/16/22/42/171162242.db2.gz	JGUVXHUOCBJNPC-UHFFFAOYSA-N	-1	3	279.698	3.745	10	0		CHAEHM
Cc1ccc(C(=O)N[C@@H](C)c2ccccc2C)c([O-])c1	ZINC000023524617	171423385	/nfs/dbraw/zinc/42/33/85/171423385.db2.gz	ACCCKKJZQYZBBQ-ZDUSSCGKSA-N	-1	3	269.344	3.500	10	0		CHAEHM
[O-]c1ccccc1-c1nc(/C=C\c2ccc(F)cc2)no1	ZINC000033246355	171775274	/nfs/dbraw/zinc/77/52/74/171775274.db2.gz	VGOIHDHZVUWSQS-YFHOEESVSA-N	-1	3	282.274	3.752	10	0		CHAEHM
Nc1ccc(-c2nc3cccc(Cl)c3s2)c([O-])c1	ZINC000037205994	173027484	/nfs/dbraw/zinc/02/74/84/173027484.db2.gz	WLAHQQPFUXLQIZ-UHFFFAOYSA-N	-1	3	276.748	3.905	10	0		CHAEHM
CC[C@H](C)N[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl	ZINC000038066411	174077739	/nfs/dbraw/zinc/07/77/39/174077739.db2.gz	JXXDMKJCTWRWLX-CPCISQLKSA-N	-1	3	276.163	3.507	10	0		CHAEHM
S=C(NCc1ccccc1)n1c(=S)[n-]c2ccccc21	ZINC000045007923	175289116	/nfs/dbraw/zinc/28/91/16/175289116.db2.gz	VBFCTPJSCOPPOY-UHFFFAOYSA-N	-1	3	299.424	3.622	10	0		CHAEHM
Cc1ccc(-c2cc(=O)[n-]c(Nc3cccc(F)c3)n2)cc1	ZINC000057342050	175592889	/nfs/dbraw/zinc/59/28/89/175592889.db2.gz	JOGBQOUYOZLLJM-UHFFFAOYSA-N	-1	3	295.317	3.628	10	0		CHAEHM
O=C(Nc1cccc([O-])c1F)[C@@H]1C[C@@H]1C1CCCCC1	ZINC000129755191	329620138	/nfs/dbraw/zinc/62/01/38/329620138.db2.gz	BNWSBXUEVILJPL-VXGBXAGGSA-N	-1	3	277.339	3.686	10	0		CHAEHM
CCc1cc(=O)[n-]c(CN[C@@H](C)c2ccc(C(C)C)cc2)n1	ZINC000177505036	333059872	/nfs/dbraw/zinc/05/98/72/333059872.db2.gz	ONGKHELSRWIMPB-ZDUSSCGKSA-N	-1	3	299.418	3.719	10	0		CHAEHM
[O-]c1ccc(CNc2ccc(Cl)cc2)cc1F	ZINC000083385623	178394402	/nfs/dbraw/zinc/39/44/02/178394402.db2.gz	SKKKUSYWTLNFLO-UHFFFAOYSA-N	-1	3	251.688	3.797	10	0		CHAEHM
O=C(c1cccc2ccccc21)c1cnc2ccccc2c1[O-]	ZINC000028864759	171578008	/nfs/dbraw/zinc/57/80/08/171578008.db2.gz	PXGAAQBCZMLNDD-UHFFFAOYSA-N	-1	3	299.329	3.912	10	0		CHAEHM
CCCCOc1ccc(OC(=O)c2ccc([O-])cc2)cc1	ZINC000034080193	171830899	/nfs/dbraw/zinc/83/08/99/171830899.db2.gz	NMPRZRJMGXDQJH-UHFFFAOYSA-N	-1	3	286.327	3.790	10	0		CHAEHM
CCCc1ccc(NC(=O)c2ccc([O-])cc2)cc1	ZINC000037250237	173062507	/nfs/dbraw/zinc/06/25/07/173062507.db2.gz	PCOJOLDMRYJQCS-UHFFFAOYSA-N	-1	3	255.317	3.597	10	0		CHAEHM
CC[C@@H](C)N[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl	ZINC000038066412	174077747	/nfs/dbraw/zinc/07/77/47/174077747.db2.gz	JXXDMKJCTWRWLX-RDDDGLTNSA-N	-1	3	276.163	3.507	10	0		CHAEHM
C[C@@H]1CC[C@H](NC(=O)c2cccc([O-])c2)c2ccccc21	ZINC000182894522	329245715	/nfs/dbraw/zinc/24/57/15/329245715.db2.gz	HQYBULJQWDXNQP-PXAZEXFGSA-N	-1	3	281.355	3.761	10	0		CHAEHM
C[C@@H]1CC[C@@H](NC(=O)c2cccc([O-])c2)c2ccccc21	ZINC000182894560	329245807	/nfs/dbraw/zinc/24/58/07/329245807.db2.gz	HQYBULJQWDXNQP-SJKOYZFVSA-N	-1	3	281.355	3.761	10	0		CHAEHM
Cc1cccc([O-])c1NC(=O)[C@@H]1C[C@H]1C1CCCCC1	ZINC000183081307	333118844	/nfs/dbraw/zinc/11/88/44/333118844.db2.gz	XZARKTWMRPHHHX-UONOGXRCSA-N	-1	3	273.376	3.856	10	0		CHAEHM
Cc1cccc([O-])c1NC(=O)[C@H]1C[C@H]1C1CCCCC1	ZINC000183081325	333118904	/nfs/dbraw/zinc/11/89/04/333118904.db2.gz	XZARKTWMRPHHHX-KBPBESRZSA-N	-1	3	273.376	3.856	10	0		CHAEHM
[O-]c1cncc(/C=C/c2nc(-c3ccccc3Cl)no2)c1	ZINC000186107111	333155065	/nfs/dbraw/zinc/15/50/65/333155065.db2.gz	LAODOQRCNVSJRY-AATRIKPKSA-N	-1	3	299.717	3.661	10	0		CHAEHM
O=c1cc(-c2ccc(Br)s2)nc(C2CC2)[n-]1	ZINC000409429075	567899728	/nfs/dbraw/zinc/89/97/28/567899728.db2.gz	HSLMPMDPIWJTOM-UHFFFAOYSA-N	-1	3	297.177	3.551	10	0		CHAEHM
O=C([O-])c1cc(CN[C@H]2CCCc3ccccc32)cs1	ZINC000689089971	976216676	/nfs/dbraw/zinc/21/66/76/976216676.db2.gz	SXSQYFTXZVWASV-AWEZNQCLSA-N	-1	3	287.384	3.614	10	0		CHAEHM
O=C([O-])c1cc(CN2CCC(C3CCCC3)CC2)cs1	ZINC000708766000	977441886	/nfs/dbraw/zinc/44/18/86/977441886.db2.gz	ONLZFGHQEGYNKB-UHFFFAOYSA-N	-1	3	293.432	3.849	10	0		CHAEHM
[O-]c1ccc(OC2CCCCC2)cc1Br	ZINC000095724505	185020822	/nfs/dbraw/zinc/02/08/22/185020822.db2.gz	NQDBMAYAXDMASN-UHFFFAOYSA-N	-1	3	271.154	3.866	10	0		CHAEHM
[O-]c1ccccc1-c1ccc2c(Cl)nc(Cl)nc2n1	ZINC000091692403	180228334	/nfs/dbraw/zinc/22/83/34/180228334.db2.gz	PSZSCWOIBBQVMJ-UHFFFAOYSA-N	-1	3	292.125	3.704	10	0		CHAEHM
O=C(CSc1ccccc1F)c1cc(F)ccc1[O-]	ZINC000036882278	172778747	/nfs/dbraw/zinc/77/87/47/172778747.db2.gz	JVHUPIWGQQXXRT-UHFFFAOYSA-N	-1	3	280.295	3.645	10	0		CHAEHM
COc1cccc(-c2nc3cc(C)ccc3s2)c1[O-]	ZINC000037205965	173027536	/nfs/dbraw/zinc/02/75/36/173027536.db2.gz	XFTVQDKZRDDAHP-UHFFFAOYSA-N	-1	3	271.341	3.986	10	0		CHAEHM
Cc1cnc(NCc2ccc([O-])c(Br)c2)s1	ZINC000302900665	261356275	/nfs/dbraw/zinc/35/62/75/261356275.db2.gz	SSLPZARLKFVWEF-UHFFFAOYSA-N	-1	3	299.193	3.532	10	0		CHAEHM
CCCCCCO[N-]C(=O)Nc1ccccc1Cl	ZINC000005951162	170161136	/nfs/dbraw/zinc/16/11/36/170161136.db2.gz	SRNRZJMKLDUDLV-UHFFFAOYSA-N	-1	3	270.760	3.973	10	0		CHAEHM
O=C(Nc1cccc(Cl)c1Cl)c1ccc([O-])cc1	ZINC000020247159	171100572	/nfs/dbraw/zinc/10/05/72/171100572.db2.gz	APZBIZQJTSQLSY-UHFFFAOYSA-N	-1	3	282.126	3.951	10	0		CHAEHM
CC[C@@H](C)N[C@@H](C(=O)[O-])c1c(Cl)cccc1Cl	ZINC000038066004	174077709	/nfs/dbraw/zinc/07/77/09/174077709.db2.gz	DRSDOEMXIOLIRK-RDDDGLTNSA-N	-1	3	276.163	3.507	10	0		CHAEHM
[O-]c1ccccc1-c1nc(/C=C\c2ccccc2)no1	ZINC000038184153	174136074	/nfs/dbraw/zinc/13/60/74/174136074.db2.gz	NIDAQOVXERMPRS-KHPPLWFESA-N	-1	3	264.284	3.613	10	0		CHAEHM
COc1ccc(Cl)cc1-c1ccc(C=O)c([O-])c1	ZINC000065342025	175711997	/nfs/dbraw/zinc/71/19/97/175711997.db2.gz	OMVYGGZSECOCMY-UHFFFAOYSA-N	-1	3	262.692	3.534	10	0		CHAEHM
Cc1ccc(NC(=O)c2cccn2C2CCCC2)c([O-])c1	ZINC000179924690	329213509	/nfs/dbraw/zinc/21/35/09/329213509.db2.gz	MXVKYPMHUDREGN-UHFFFAOYSA-N	-1	3	284.359	3.870	10	0		CHAEHM
Cc1cccc(C(=O)Nc2cc(Cl)ccc2F)c1[O-]	ZINC000035185105	172039010	/nfs/dbraw/zinc/03/90/10/172039010.db2.gz	ZZCOZMOLNQSMNW-UHFFFAOYSA-N	-1	3	279.698	3.745	10	0		CHAEHM
CCc1ccc([O-])c(-c2nc(C3CCCC3)no2)c1	ZINC000184844039	262299541	/nfs/dbraw/zinc/29/95/41/262299541.db2.gz	BPPSAKBDXRMVRJ-UHFFFAOYSA-N	-1	3	258.321	3.662	10	0		CHAEHM
CC(C)(C)c1cc(=S)n(-c2cccc(F)c2)[n-]1	ZINC000052305811	519005795	/nfs/dbraw/zinc/00/57/95/519005795.db2.gz	FFQKANNGUFQPRY-UHFFFAOYSA-N	-1	3	250.342	3.598	10	0		CHAEHM
COc1ccc2c(c1)CCC(c1ccc([O-])cc1)=C2	ZINC000004775251	560199932	/nfs/dbraw/zinc/19/99/32/560199932.db2.gz	JDCCZPOXMJXBKS-UHFFFAOYSA-N	-1	3	252.313	3.888	10	0	in-vitro	CHAEHM
[O-]c1cc2c(Br)cccc2nc1C(F)F	ZINC000685963178	567210640	/nfs/dbraw/zinc/21/06/40/567210640.db2.gz	ILLXMYMWJWJDKX-UHFFFAOYSA-N	-1	3	274.064	3.641	10	0		CHAEHM
C[C@@H]1CCN(C(=O)c2ccc([O-])cc2)c2ccccc21	ZINC000196122247	136581552	/nfs/dbraw/zinc/58/15/52/136581552.db2.gz	LQOWYKKDFIEXQX-GFCCVEGCSA-N	-1	3	267.328	3.546	10	0		CHAEHM
[O-]c1ccc2ccccc2c1Cc1ccccc1O	ZINC000005518396	170107034	/nfs/dbraw/zinc/10/70/34/170107034.db2.gz	KHCXWVPDTQDKOX-UHFFFAOYSA-N	-1	3	250.297	3.842	10	0		CHAEHM
CC(C)CCO[N-]C(=O)Nc1cccc2ccccc21	ZINC000005727076	170134166	/nfs/dbraw/zinc/13/41/66/170134166.db2.gz	ZMVDNSISUJTJSY-UHFFFAOYSA-N	-1	3	272.348	3.939	10	0		CHAEHM
CCCCCO[N-]C(=O)Nc1ccccc1Cl	ZINC000005951346	170160905	/nfs/dbraw/zinc/16/09/05/170160905.db2.gz	CJYNJMAHYFBJED-UHFFFAOYSA-N	-1	3	256.733	3.583	10	0		CHAEHM
CC[C@@H](NCCC(=O)[O-])c1ccc(Cl)cc1Cl	ZINC000035625532	172304838	/nfs/dbraw/zinc/30/48/38/172304838.db2.gz	APTMZQXMIRPJSZ-LLVKDONJSA-N	-1	3	276.163	3.509	10	0		CHAEHM
O=C(Nc1cccc([O-])c1F)[C@H]1C[C@H]1C1CCCCC1	ZINC000129755897	329620063	/nfs/dbraw/zinc/62/00/63/329620063.db2.gz	BNWSBXUEVILJPL-RYUDHWBXSA-N	-1	3	277.339	3.686	10	0		CHAEHM
CC(C)c1noc([N-][C@@H](C)c2csc(C(C)C)n2)n1	ZINC000301567570	519906263	/nfs/dbraw/zinc/90/62/63/519906263.db2.gz	LAVFWPNXNYXLFO-VIFPVBQESA-N	-1	3	280.397	3.946	10	0		CHAEHM
CC[C@H](OC)c1noc(-c2cc3ccccc3cc2[O-])n1	ZINC000157365760	522843997	/nfs/dbraw/zinc/84/39/97/522843997.db2.gz	ODTMEVDWPPQOTO-AWEZNQCLSA-N	-1	3	284.315	3.693	10	0		CHAEHM
COc1cc(O)cc(-c2cc3c(cccc3[O-])o2)c1	ZINC000013340660	567019490	/nfs/dbraw/zinc/01/94/90/567019490.db2.gz	LNYJPSJEXBTRPO-UHFFFAOYSA-N	-1	3	256.257	3.520	10	0	biogenic,in-vitro	CHAEHM
Cc1ccc([O-])c(C(=O)N[C@@H]2CCCc3ccccc32)c1	ZINC000007264009	170274548	/nfs/dbraw/zinc/27/45/48/170274548.db2.gz	QVSCQFYMYOUHML-MRXNPFEDSA-N	-1	3	281.355	3.508	10	0		CHAEHM
COC(=O)c1nc(-c2ccccc2Cl)[n-]c1C(C)C	ZINC000035320742	172124158	/nfs/dbraw/zinc/12/41/58/172124158.db2.gz	YYWRMFWXZQHUKQ-UHFFFAOYSA-N	-1	3	278.739	3.640	10	0		CHAEHM
C[C@H](NCc1ccc([O-])c(Cl)c1)c1ccccc1	ZINC000043476617	175054492	/nfs/dbraw/zinc/05/44/92/175054492.db2.gz	XMLMLWBRPZGDKC-NSHDSACASA-N	-1	3	261.752	3.896	10	0		CHAEHM
C[C@]1(C(=O)Nc2ccccc2[O-])CCCc2ccccc21	ZINC000101630792	328364063	/nfs/dbraw/zinc/36/40/63/328364063.db2.gz	BCUALCNMEPNURK-SFHVURJKSA-N	-1	3	281.355	3.625	10	0		CHAEHM
[O-]c1cc2ccccc2cc1-c1nc(CC(F)(F)F)no1	ZINC000111689224	328374741	/nfs/dbraw/zinc/37/47/41/328374741.db2.gz	CCVOOBDJAOJUEC-UHFFFAOYSA-N	-1	3	294.232	3.700	10	0		CHAEHM
O=c1cc(-c2cc(Cl)ccc2Cl)[nH]c(=S)[n-]1	ZINC000084122992	570273636	/nfs/dbraw/zinc/27/36/36/570273636.db2.gz	QXWMXYUKLXUKLY-UHFFFAOYSA-N	-1	3	273.144	3.819	10	0		CHAEHM
O=C1[N-]c2ccc(-c3ccc(C(F)(F)F)cc3)cc2C1=O	ZINC000016946308	570281456	/nfs/dbraw/zinc/28/14/56/570281456.db2.gz	RKRAVBKCNMIBIK-UHFFFAOYSA-N	-1	3	291.228	3.507	10	0		CHAEHM
[O-]c1cc(OC2CCCCC2)ccc1Br	ZINC000095719972	185018653	/nfs/dbraw/zinc/01/86/53/185018653.db2.gz	UWQLABFIXBOXAD-UHFFFAOYSA-N	-1	3	271.154	3.866	10	0		CHAEHM
COCCn1c(C)c(C(C)=O)c2cc([O-])c3ccccc3c21	ZINC000016249653	170692026	/nfs/dbraw/zinc/69/20/26/170692026.db2.gz	DXGJWDGYIDPTFR-UHFFFAOYSA-N	-1	3	297.354	3.658	10	0		CHAEHM
Cc1ccc(SCC(=O)c2cc(F)ccc2[O-])cc1	ZINC000036882315	172778538	/nfs/dbraw/zinc/77/85/38/172778538.db2.gz	WYLAIKRMKNWWNT-UHFFFAOYSA-N	-1	3	276.332	3.815	10	0		CHAEHM
[O-]c1cc2n[nH]c(Cc3ccccc3)c2cc1Cl	ZINC000038219138	174137483	/nfs/dbraw/zinc/13/74/83/174137483.db2.gz	PKCICKWXQNXFPS-UHFFFAOYSA-N	-1	3	258.708	3.513	10	0		CHAEHM
O=C([O-])c1oc2ccccc2c1NC(=O)c1ccc(F)cc1	ZINC000040166172	174197787	/nfs/dbraw/zinc/19/77/87/174197787.db2.gz	GYMORSBYLYGNRX-UHFFFAOYSA-N	-1	3	299.257	3.522	10	0		CHAEHM
O=c1cc(-c2ccccc2[O-])oc2ccc(Cl)cc12	ZINC000044545660	175201783	/nfs/dbraw/zinc/20/17/83/175201783.db2.gz	GMSXAXYCOGRUCA-UHFFFAOYSA-N	-1	3	272.687	3.819	10	0		CHAEHM
C[C@H]1CC[C@@H](NC(=O)c2cccc([O-])c2)c2ccccc21	ZINC000182894582	329245692	/nfs/dbraw/zinc/24/56/92/329245692.db2.gz	HQYBULJQWDXNQP-YVEFUNNKSA-N	-1	3	281.355	3.761	10	0		CHAEHM
COC1(c2noc(-c3ccc(C)cc3[O-])n2)CCCCC1	ZINC000227834437	333289036	/nfs/dbraw/zinc/28/90/36/333289036.db2.gz	CDDBGWGIYINUBO-UHFFFAOYSA-N	-1	3	288.347	3.556	10	0		CHAEHM
C[C@@H]1C[C@@H](C(=O)Nc2cccc([O-])c2F)CC(C)(C)C1	ZINC000182950090	335852565	/nfs/dbraw/zinc/85/25/65/335852565.db2.gz	MCLAVJFXFNDSFF-GHMZBOCLSA-N	-1	3	279.355	3.932	10	0		CHAEHM
CC[C@@H](N[C@H](C)C(=O)[O-])c1ccc(Cl)cc1Cl	ZINC000049356112	522931060	/nfs/dbraw/zinc/93/10/60/522931060.db2.gz	YRWBARCVYIQITD-RDDDGLTNSA-N	-1	3	276.163	3.507	10	0		CHAEHM
Cc1nc(-c2cccc(Cl)c2)[n-]c(=O)c1C(C)C	ZINC000061688260	526584466	/nfs/dbraw/zinc/58/44/66/526584466.db2.gz	WCXNMNZFESYFHC-UHFFFAOYSA-N	-1	3	262.740	3.522	10	0		CHAEHM
CC[C@H](c1cccc(Cl)c1)N1CCC(C(=O)[O-])CC1	ZINC000006449968	170201967	/nfs/dbraw/zinc/20/19/67/170201967.db2.gz	WUCFBCMZEQITEF-CQSZACIVSA-N	-1	3	281.783	3.588	10	0		CHAEHM
[O-]C(=Cc1nc2ccccc2o1)c1ccc(F)cc1F	ZINC000034940217	171899957	/nfs/dbraw/zinc/89/99/57/171899957.db2.gz	QFBBVKIZFKWWQF-UHFFFAOYSA-N	-1	3	273.238	3.531	10	0		CHAEHM
C[C@H](CC(=O)[O-])N[C@@H](C)c1ccc(Cl)cc1Cl	ZINC000035748219	172395409	/nfs/dbraw/zinc/39/54/09/172395409.db2.gz	IKOHPMJQUFBXBF-SFYZADRCSA-N	-1	3	276.163	3.507	10	0		CHAEHM
O=C(Cc1ccccc1)c1cc(Br)ccc1[O-]	ZINC000038888329	174158722	/nfs/dbraw/zinc/15/87/22/174158722.db2.gz	GVURCXUQMQBAFD-UHFFFAOYSA-N	-1	3	291.144	3.580	10	0		CHAEHM
CC[C@H](N[C@@H](C)C(=O)[O-])c1ccc(Cl)cc1Cl	ZINC000049356100	522686035	/nfs/dbraw/zinc/68/60/35/522686035.db2.gz	YRWBARCVYIQITD-CPCISQLKSA-N	-1	3	276.163	3.507	10	0		CHAEHM
CCC(/C=N/NC(=O)c1ccccc1[O-])=C\c1ccccc1	ZINC000048523966	567090314	/nfs/dbraw/zinc/09/03/14/567090314.db2.gz	BAQXHCOBLUNTHN-QQWZAAIYSA-N	-1	3	294.354	3.601	10	0		CHAEHM
Cc1ccc([O-])c(C(=O)N[C@H]2CCCc3ccccc32)c1	ZINC000007264010	170274410	/nfs/dbraw/zinc/27/44/10/170274410.db2.gz	QVSCQFYMYOUHML-INIZCTEOSA-N	-1	3	281.355	3.508	10	0		CHAEHM
CCOc1ccc(/C=C/C(=O)Nc2ccc(C)cc2[O-])cc1	ZINC000008378727	170333602	/nfs/dbraw/zinc/33/36/02/170333602.db2.gz	KPCSOGZDJIXWKU-YRNVUSSQSA-N	-1	3	297.354	3.751	10	0		CHAEHM
O=Cc1cc(-c2ccc([O-])c(F)c2)cc2ccc(O)cc12	ZINC000013645123	170572331	/nfs/dbraw/zinc/57/23/31/170572331.db2.gz	DYHJXPWBSPNTRH-UHFFFAOYSA-N	-1	3	282.270	3.870	10	0		CHAEHM
CCSCc1noc(-c2cc3ccccc3cc2[O-])n1	ZINC000087106798	261753344	/nfs/dbraw/zinc/75/33/44/261753344.db2.gz	UUXZJULSOIIDPW-UHFFFAOYSA-N	-1	3	286.356	3.849	10	0		CHAEHM
Cc1cccc(C(=O)N2CC=C(c3cccs3)CC2)c1[O-]	ZINC000117722374	329546286	/nfs/dbraw/zinc/54/62/86/329546286.db2.gz	IJRGCUYLYUOSLV-UHFFFAOYSA-N	-1	3	299.395	3.692	10	0		CHAEHM
C[C@@H](NC(=O)c1cccc([O-])c1)c1ccc(Cl)s1	ZINC000042593618	329573999	/nfs/dbraw/zinc/57/39/99/329573999.db2.gz	XVLSRMLKYMGALL-MRVPVSSYSA-N	-1	3	281.764	3.598	10	0		CHAEHM
CSc1ccc([C@@H](C)N2CCCC[C@@H]2C(=O)[O-])cc1F	ZINC000263437122	330055710	/nfs/dbraw/zinc/05/57/10/330055710.db2.gz	UZHUVXOGHYHQPO-ZWNOBZJWSA-N	-1	3	297.395	3.548	10	0		CHAEHM
Cc1ccccc1[C@H](C)NC(=O)c1cc([O-])ccc1Cl	ZINC000235505985	333370260	/nfs/dbraw/zinc/37/02/60/333370260.db2.gz	JNTUPAOXQBMDEF-NSHDSACASA-N	-1	3	289.762	3.845	10	0		CHAEHM
COc1c2c(cc([O-])c1-c1cc3ccccc3o1)OCO2	ZINC000014488318	571709921	/nfs/dbraw/zinc/70/99/21/571709921.db2.gz	ACHFSGOIKJNVJV-UHFFFAOYSA-N	-1	3	284.267	3.543	10	0	endogenous,in-man	CHAEHM
Cc1cc(Cl)c2c(Br)ccc([O-])c2n1	ZINC000082788775	178294250	/nfs/dbraw/zinc/29/42/50/178294250.db2.gz	OXELKEGRWSYMPY-UHFFFAOYSA-N	-1	3	272.529	3.665	10	0		CHAEHM
Cc1ccc(C(=O)c2cnc3c(F)cc(F)cc3c2[O-])cc1	ZINC000008690700	170345747	/nfs/dbraw/zinc/34/57/47/170345747.db2.gz	GJUIMUVWAZWGHK-UHFFFAOYSA-N	-1	3	299.276	3.758	10	0		CHAEHM
COc1ccc(-c2nc3cc(C)ccc3s2)c([O-])c1	ZINC000037205964	173027664	/nfs/dbraw/zinc/02/76/64/173027664.db2.gz	GHUCKKVVZKQVRK-UHFFFAOYSA-N	-1	3	271.341	3.986	10	0		CHAEHM
Cc1ccc(C(=O)Nc2c3ccccc3oc2C(=O)[O-])cc1	ZINC000040166173	174197471	/nfs/dbraw/zinc/19/74/71/174197471.db2.gz	KZPIVNIUKFQVPN-UHFFFAOYSA-N	-1	3	295.294	3.692	10	0		CHAEHM
COC(=O)c1ccc(Cl)c(-c2ccc(F)c([O-])c2)c1	ZINC000065341178	175710589	/nfs/dbraw/zinc/71/05/89/175710589.db2.gz	JSMAJTTWRCSGIS-UHFFFAOYSA-N	-1	3	280.682	3.638	10	0		CHAEHM
Cc1ccc(-c2nc([C@H]3CCCCS3)no2)c([O-])c1	ZINC000161652763	525820277	/nfs/dbraw/zinc/82/02/77/525820277.db2.gz	AJQPFZOZIOXUDZ-GFCCVEGCSA-N	-1	3	276.361	3.709	10	0		CHAEHM
Cc1nc(-c2ccc(Cl)c(F)c2)[n-]c(=O)c1C(C)C	ZINC000061688372	526570871	/nfs/dbraw/zinc/57/08/71/526570871.db2.gz	AMTIUGVFXAZBMB-UHFFFAOYSA-N	-1	3	280.730	3.661	10	0		CHAEHM
CCSc1c2cc(Cl)ccc2oc1C(=O)[O-]	ZINC000584881538	567882776	/nfs/dbraw/zinc/88/27/76/567882776.db2.gz	KUFLBWDBMXDRHU-UHFFFAOYSA-N	-1	3	256.710	3.896	10	0		CHAEHM
C[C@]12CC[C@@H]3c4ccc([O-])c(F)c4CC[C@H]3[C@@H]1CC[C@@H]2O	ZINC000006500100	170207548	/nfs/dbraw/zinc/20/75/48/170207548.db2.gz	QZFXMXJXAUMHQR-ZHIYBZGJSA-N	-1	3	290.378	3.748	10	0		CHAEHM
Cc1cccc(C(=O)Nc2cccc3c2CCCC3)c1[O-]	ZINC000022146193	171356684	/nfs/dbraw/zinc/35/66/84/171356684.db2.gz	LDKHHNWUVWRHCF-UHFFFAOYSA-N	-1	3	281.355	3.832	10	0		CHAEHM
COc1cccc(-c2nc3cc(F)ccc3s2)c1[O-]	ZINC000037206073	173027227	/nfs/dbraw/zinc/02/72/27/173027227.db2.gz	VHFFSRFUNVQRDZ-UHFFFAOYSA-N	-1	3	275.304	3.817	10	0		CHAEHM
COC(=O)c1cc(-c2ccc([O-])c(F)c2)ccc1Cl	ZINC000065341185	175710895	/nfs/dbraw/zinc/71/08/95/175710895.db2.gz	GBYBRSLLFFPBSL-UHFFFAOYSA-N	-1	3	280.682	3.638	10	0		CHAEHM
O=c1cc(Nc2ccc(Cl)cc2)[n-]n1-c1ccccc1	ZINC000077922091	177310838	/nfs/dbraw/zinc/31/08/38/177310838.db2.gz	BITFOPWUFUCBTD-UHFFFAOYSA-N	-1	3	285.734	3.502	10	0		CHAEHM
C[C@@H]1c2sccc2CCN1Cc1cccc(C(=O)[O-])c1	ZINC000712341009	955063817	/nfs/dbraw/zinc/06/38/17/955063817.db2.gz	LSHFBGOJZFNJCF-LLVKDONJSA-N	-1	3	287.384	3.566	10	0		CHAEHM
CC(=O)Nc1ccc(/C=C/c2ccccc2)cc1[O-]	ZINC000005160809	170072386	/nfs/dbraw/zinc/07/23/86/170072386.db2.gz	NEFFYAYMFWPCHZ-BQYQJAHWSA-N	-1	3	253.301	3.521	10	0		CHAEHM
Cc1cccc(C(=O)N[C@H]2CCCc3ccccc32)c1[O-]	ZINC000007264112	170274400	/nfs/dbraw/zinc/27/44/00/170274400.db2.gz	QLKDQCHGHZGRFT-INIZCTEOSA-N	-1	3	281.355	3.508	10	0		CHAEHM
Cc1ccc([O-])c(C(=O)Nc2ccc(F)cc2Cl)c1	ZINC000020363046	171162109	/nfs/dbraw/zinc/16/21/09/171162109.db2.gz	LRZZHJUDUJRSNM-UHFFFAOYSA-N	-1	3	279.698	3.745	10	0		CHAEHM
Cc1ccc(C(=O)N2CC=C(c3cccs3)CC2)c([O-])c1	ZINC000117721070	328942864	/nfs/dbraw/zinc/94/28/64/328942864.db2.gz	IHVOVRUINYMNKT-UHFFFAOYSA-N	-1	3	299.395	3.692	10	0		CHAEHM
S=c1ccc(-c2cc(Cl)ccc2Cl)n[n-]1	ZINC000236695512	570244828	/nfs/dbraw/zinc/24/48/28/570244828.db2.gz	BRUJYOUXDYGNNW-UHFFFAOYSA-N	-1	3	257.145	3.739	10	0		CHAEHM
COC(C)(C)c1nc2cccc(Br)c2cc1[O-]	ZINC000725267734	567923965	/nfs/dbraw/zinc/92/39/65/567923965.db2.gz	UTKNUWSFQINTGP-UHFFFAOYSA-N	-1	3	296.164	3.584	10	0		CHAEHM
CCOc1cccc(-c2ccc(-c3c[n-][nH]c3=O)cc2)c1	ZINC000091692425	180228140	/nfs/dbraw/zinc/22/81/40/180228140.db2.gz	BJIORFWOGURSKO-UHFFFAOYSA-N	-1	3	280.327	3.848	10	0		CHAEHM
Cc1cccc(C(=O)Nc2cccc(Cl)c2)c1[O-]	ZINC000021061344	171297121	/nfs/dbraw/zinc/29/71/21/171297121.db2.gz	CWYLPZFHTPDCGO-UHFFFAOYSA-N	-1	3	261.708	3.606	10	0		CHAEHM
C[C@@H](CC(=O)[O-])N[C@@H](C)c1ccc(Cl)cc1Cl	ZINC000035748217	172395448	/nfs/dbraw/zinc/39/54/48/172395448.db2.gz	IKOHPMJQUFBXBF-YUMQZZPRSA-N	-1	3	276.163	3.507	10	0		CHAEHM
C[C@@H](N[C@@H](C)CC(=O)[O-])c1ccc(Cl)cc1Cl	ZINC000035748220	172395853	/nfs/dbraw/zinc/39/58/53/172395853.db2.gz	IKOHPMJQUFBXBF-JGVFFNPUSA-N	-1	3	276.163	3.507	10	0		CHAEHM
CC[C@H](C)N[C@H](C(=O)[O-])c1c(Cl)cccc1Cl	ZINC000038066003	174077361	/nfs/dbraw/zinc/07/73/61/174077361.db2.gz	DRSDOEMXIOLIRK-CPCISQLKSA-N	-1	3	276.163	3.507	10	0		CHAEHM
CC[C@@H](C)N[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl	ZINC000038065996	174077729	/nfs/dbraw/zinc/07/77/29/174077729.db2.gz	XXUNPHBZTWMLCH-RDDDGLTNSA-N	-1	3	276.163	3.507	10	0		CHAEHM
C[C@@H](NCc1ccc([O-])c(Cl)c1)c1ccccc1	ZINC000043476618	175054589	/nfs/dbraw/zinc/05/45/89/175054589.db2.gz	XMLMLWBRPZGDKC-LLVKDONJSA-N	-1	3	261.752	3.896	10	0		CHAEHM
[O-]c1cncc(/C=C\c2nc(-c3cccc(Cl)c3)no2)c1	ZINC000569401651	327172386	/nfs/dbraw/zinc/17/23/86/327172386.db2.gz	AJTCVJVGIHFJGE-PLNGDYQASA-N	-1	3	299.717	3.661	10	0		CHAEHM
CCc1ccc(C(=O)N2CCC[C@@H]2c2ccco2)c([O-])c1	ZINC000191673049	329416716	/nfs/dbraw/zinc/41/67/16/329416716.db2.gz	SKRMZQYRHGUFAM-CQSZACIVSA-N	-1	3	285.343	3.525	10	0		CHAEHM
CSc1ccc([C@@H](C)N2CCCC[C@H]2C(=O)[O-])cc1F	ZINC000263437121	330055806	/nfs/dbraw/zinc/05/58/06/330055806.db2.gz	UZHUVXOGHYHQPO-MFKMUULPSA-N	-1	3	297.395	3.548	10	0		CHAEHM
Cc1cc(C(=O)N[C@@H](C)c2cccc(Cl)c2)ccc1[O-]	ZINC000226713329	333267995	/nfs/dbraw/zinc/26/79/95/333267995.db2.gz	QGIPHFBEBHIACU-NSHDSACASA-N	-1	3	289.762	3.845	10	0		CHAEHM
CCC1CCC(NC(=O)c2cc([O-])ccc2Cl)CC1	ZINC000232898276	333345144	/nfs/dbraw/zinc/34/51/44/333345144.db2.gz	WTTZPDKWQMAGPB-UHFFFAOYSA-N	-1	3	281.783	3.744	10	0		CHAEHM
Cc1ccc([N-]S(=O)(=O)c2cc(C)c(C)cc2C)cc1	ZINC000026460415	525295179	/nfs/dbraw/zinc/29/51/79/525295179.db2.gz	BOXJHXMCIHNPLA-UHFFFAOYSA-N	-1	3	289.400	3.721	10	0		CHAEHM
O=C([O-])c1cc(CN[C@@H]2CCCc3ccccc32)cs1	ZINC000689089973	976216443	/nfs/dbraw/zinc/21/64/43/976216443.db2.gz	SXSQYFTXZVWASV-CQSZACIVSA-N	-1	3	287.384	3.614	10	0		CHAEHM
Cc1ccc([O-])c(C(=O)Nc2cc(Cl)ccc2F)c1	ZINC000035185111	172039016	/nfs/dbraw/zinc/03/90/16/172039016.db2.gz	BPVIXHOHDZLKQN-UHFFFAOYSA-N	-1	3	279.698	3.745	10	0		CHAEHM
CC[C@H](C)N[C@H](C(=O)[O-])c1cccc(Cl)c1Cl	ZINC000038065995	174077479	/nfs/dbraw/zinc/07/74/79/174077479.db2.gz	XXUNPHBZTWMLCH-CPCISQLKSA-N	-1	3	276.163	3.507	10	0		CHAEHM
Cc1ccsc1/C=C\c1noc(-c2ccccc2[O-])n1	ZINC000038183943	174136115	/nfs/dbraw/zinc/13/61/15/174136115.db2.gz	HDAYKIBMRMKDNC-SREVYHEPSA-N	-1	3	284.340	3.983	10	0		CHAEHM
CCc1ccc([O-])c(-c2nc(-c3cccs3)no2)c1	ZINC000184831672	262299485	/nfs/dbraw/zinc/29/94/85/262299485.db2.gz	DCBYHHDHYHBDIH-UHFFFAOYSA-N	-1	3	272.329	3.733	10	0		CHAEHM
Cc1ccc2cccc([N-]c3nsnc3Cl)c2n1	ZINC000061875523	526238538	/nfs/dbraw/zinc/23/85/38/526238538.db2.gz	OFYSCBOCYKFMJK-UHFFFAOYSA-N	-1	3	276.752	3.792	10	0		CHAEHM
[O-]c1cc2cccc(Br)c2nc1C(F)F	ZINC000685963579	567210630	/nfs/dbraw/zinc/21/06/30/567210630.db2.gz	SXIQATUKMXTCAF-UHFFFAOYSA-N	-1	3	274.064	3.641	10	0		CHAEHM
O=c1cc(-c2ccccc2)sc2cccc([O-])c12	ZINC000026151580	567882892	/nfs/dbraw/zinc/88/28/92/567882892.db2.gz	ZXQWYAPWKRHDQV-UHFFFAOYSA-N	-1	3	254.310	3.634	10	0		CHAEHM
O=c1cccc2sc(-c3ccccc3)cc([O-])c1-2	ZINC000026151580	567882894	/nfs/dbraw/zinc/88/28/94/567882894.db2.gz	ZXQWYAPWKRHDQV-UHFFFAOYSA-N	-1	3	254.310	3.634	10	0		CHAEHM
O=C(c1ccc(F)cc1)c1ccc2[n-]c(Cl)nc2c1	ZINC000095616788	185016708	/nfs/dbraw/zinc/01/67/08/185016708.db2.gz	JGRUALNZTQXGHP-UHFFFAOYSA-N	-1	3	274.682	3.586	10	0		CHAEHM
Cc1cc(Br)c2c(Cl)ccc([O-])c2n1	ZINC000082788691	178294352	/nfs/dbraw/zinc/29/43/52/178294352.db2.gz	FUKONRLCGMPCPG-UHFFFAOYSA-N	-1	3	272.529	3.665	10	0		CHAEHM
[O-]C(=NOCCc1ccccc1)Nc1ccccc1Cl	ZINC000006223020	170183754	/nfs/dbraw/zinc/18/37/54/170183754.db2.gz	DWYZPNOKOUDTKN-UHFFFAOYSA-N	-1	3	290.750	3.636	10	0		CHAEHM
O=C([N-]OCCc1ccccc1)Nc1ccccc1Cl	ZINC000006223020	170183755	/nfs/dbraw/zinc/18/37/55/170183755.db2.gz	DWYZPNOKOUDTKN-UHFFFAOYSA-N	-1	3	290.750	3.636	10	0		CHAEHM
Cc1cccc(C(=O)Nc2ccc(F)cc2Cl)c1[O-]	ZINC000020363038	171162182	/nfs/dbraw/zinc/16/21/82/171162182.db2.gz	KHLJHQYOORMYAX-UHFFFAOYSA-N	-1	3	279.698	3.745	10	0		CHAEHM
COc1cc(Cl)ccc1-c1ccc(F)c([O-])c1	ZINC000065341051	175710662	/nfs/dbraw/zinc/71/06/62/175710662.db2.gz	WTVXZLGNYXMMSO-UHFFFAOYSA-N	-1	3	252.672	3.860	10	0		CHAEHM
O=C([O-])c1cccc(CNC2(c3ccccc3)CCCC2)c1	ZINC000263434928	330055649	/nfs/dbraw/zinc/05/56/49/330055649.db2.gz	UFUIOYVJHCSNJG-UHFFFAOYSA-N	-1	3	295.382	3.944	10	0		CHAEHM
Cc1cc(C(=O)N[C@@H](C)c2ccccc2C)ccc1[O-]	ZINC000226713803	333268291	/nfs/dbraw/zinc/26/82/91/333268291.db2.gz	XILZROAMQVKDAT-ZDUSSCGKSA-N	-1	3	269.344	3.500	10	0		CHAEHM
Clc1ccc(-c2noc([N-]Cc3ccco3)n2)cc1	ZINC000057354156	526937470	/nfs/dbraw/zinc/93/74/70/526937470.db2.gz	JKJUDZYYSMGEBD-UHFFFAOYSA-N	-1	3	275.695	3.595	10	0		CHAEHM
[O-]c1c(Br)cccc1OC1CCCCC1	ZINC000095727701	185021522	/nfs/dbraw/zinc/02/15/22/185021522.db2.gz	AVIJTJPXBFIEPR-UHFFFAOYSA-N	-1	3	271.154	3.866	10	0		CHAEHM
[O-]c1ccc(CNc2cccc(Cl)c2)cc1F	ZINC000083385619	178394629	/nfs/dbraw/zinc/39/46/29/178394629.db2.gz	IQQSWIVMRSDPJC-UHFFFAOYSA-N	-1	3	251.688	3.797	10	0		CHAEHM
Cc1ccc(-c2nc([C@@H]3CCCCS3)no2)c([O-])c1	ZINC000161652645	525820908	/nfs/dbraw/zinc/82/09/08/525820908.db2.gz	AJQPFZOZIOXUDZ-LBPRGKRZSA-N	-1	3	276.361	3.709	10	0		CHAEHM
CSc1c(C(=O)[O-])oc2cc(C(F)(F)F)ccc21	ZINC000584881828	567882756	/nfs/dbraw/zinc/88/27/56/567882756.db2.gz	RYKCQIRDXNDQHA-UHFFFAOYSA-N	-1	3	276.235	3.872	10	0		CHAEHM
[O-]c1ccc(CNc2ccccc2Cl)cc1F	ZINC000083385628	178394733	/nfs/dbraw/zinc/39/47/33/178394733.db2.gz	GWYKKNQAZDLNCB-UHFFFAOYSA-N	-1	3	251.688	3.797	10	0		CHAEHM
O=C1C[C@@H](c2ccccc2Cl)Oc2cccc([O-])c21	ZINC000090494856	179993037	/nfs/dbraw/zinc/99/30/37/179993037.db2.gz	GXGPOOFZGRBWEQ-AWEZNQCLSA-N	-1	3	274.703	3.752	10	0		CHAEHM
O=c1cc(-c2ccccc2)sc2ccc([O-])cc12	ZINC000006582525	170215695	/nfs/dbraw/zinc/21/56/95/170215695.db2.gz	LQTSLXMQDGCFMH-UHFFFAOYSA-N	-1	3	254.310	3.634	10	0		CHAEHM
[O-]c1cc(Br)cc(-c2ccccc2O)c1	ZINC000065343746	175713447	/nfs/dbraw/zinc/71/34/47/175713447.db2.gz	URWNPOJXWRWQDY-UHFFFAOYSA-N	-1	3	265.106	3.527	10	0		CHAEHM
C[C@H](NC(=O)c1cccc([O-])c1)c1cccc(Cl)c1	ZINC000042258707	328763623	/nfs/dbraw/zinc/76/36/23/328763623.db2.gz	SGQMAPAHWHBIEL-JTQLQIEISA-N	-1	3	275.735	3.537	10	0		CHAEHM
CC(C)N(Cc1cccs1)Cc1cc(C(=O)[O-])cs1	ZINC000711468178	977549967	/nfs/dbraw/zinc/54/99/67/977549967.db2.gz	HSGUIVQYXDFHBJ-UHFFFAOYSA-N	-1	3	295.429	3.918	10	0		CHAEHM
COC(=O)c1cc([O-])c2cccc(-c3ccccc3)c2c1	ZINC000095937660	185034021	/nfs/dbraw/zinc/03/40/21/185034021.db2.gz	IETWBMKURSATDB-UHFFFAOYSA-N	-1	3	278.307	3.999	10	0		CHAEHM
Cc1cc(Br)nc2c([O-])ccc(Cl)c12	ZINC000082788591	178293611	/nfs/dbraw/zinc/29/36/11/178293611.db2.gz	WXCUYEFZCQOTNJ-UHFFFAOYSA-N	-1	3	272.529	3.665	10	0		CHAEHM
[O-]c1cnc(-c2ccc(OCc3ccccc3)c(F)c2)nc1	ZINC000090715728	180029271	/nfs/dbraw/zinc/02/92/71/180029271.db2.gz	OCOQDCBBBFPUSU-UHFFFAOYSA-N	-1	3	296.301	3.567	10	0		CHAEHM
[O-]C(=Cc1cnc(-c2ccccc2)o1)c1cccs1	ZINC000090624483	180015287	/nfs/dbraw/zinc/01/52/87/180015287.db2.gz	XJXHSJINSASYJF-UHFFFAOYSA-N	-1	3	269.325	3.829	10	0		CHAEHM
O=C([N-]C1CCCCCCC1)C(Cl)(Cl)Cl	ZINC000005282840	170082315	/nfs/dbraw/zinc/08/23/15/170082315.db2.gz	UWMZNLOLXINPMJ-UHFFFAOYSA-N	-1	3	272.603	3.586	10	0		CHAEHM
Cc1ccc2nc(NC(=O)c3ccc([O-])cc3)sc2c1	ZINC000005418110	170096783	/nfs/dbraw/zinc/09/67/83/170096783.db2.gz	MGZCYDPRGQWXFS-UHFFFAOYSA-N	-1	3	284.340	3.563	10	0		CHAEHM
O=C(Nc1cccc(Cl)c1Cl)c1cccc([O-])c1	ZINC000020247153	171100198	/nfs/dbraw/zinc/10/01/98/171100198.db2.gz	XTCPWQAFCPJSHG-UHFFFAOYSA-N	-1	3	282.126	3.951	10	0		CHAEHM
Cc1ccc(C(=O)Nc2ccc(F)cc2Cl)c([O-])c1	ZINC000020363042	171162162	/nfs/dbraw/zinc/16/21/62/171162162.db2.gz	ZOUPPHTXBOEZBG-UHFFFAOYSA-N	-1	3	279.698	3.745	10	0		CHAEHM
COC(=O)c1cc(-c2cc([O-])cc(F)c2)ccc1Cl	ZINC000065341188	175710597	/nfs/dbraw/zinc/71/05/97/175710597.db2.gz	JCFGILZDGBFELU-UHFFFAOYSA-N	-1	3	280.682	3.638	10	0		CHAEHM
C[C@@H](NCc1csc(C(=O)[O-])c1)c1ccc(Cl)cc1	ZINC000689152665	976233561	/nfs/dbraw/zinc/23/35/61/976233561.db2.gz	GGHHUWJLYVUJBG-SECBINFHSA-N	-1	3	295.791	3.951	10	0		CHAEHM
Cc1cc(=S)n2[n-]cc(-c3ccc(Cl)cc3)c2n1	ZINC000006167558	170180450	/nfs/dbraw/zinc/18/04/50/170180450.db2.gz	YYGKUSYKYOJAQK-UHFFFAOYSA-N	-1	3	275.764	3.647	10	0		CHAEHM
CN(C)Cc1ccccc1Sc1cccc(C(=O)[O-])c1	ZINC000006637839	170220873	/nfs/dbraw/zinc/22/08/73/170220873.db2.gz	GBKVNNGGYNIQST-UHFFFAOYSA-N	-1	3	287.384	3.598	10	0		CHAEHM
FC(F)(F)c1n[n-]c2c1CSc1ccccc1-2	ZINC000043463748	175052559	/nfs/dbraw/zinc/05/25/59/175052559.db2.gz	ICVALCAMHYINHH-UHFFFAOYSA-N	-1	3	256.252	3.701	10	0		CHAEHM
FC(F)(F)c1[n-]nc2c1CSc1ccccc1-2	ZINC000043463748	175052560	/nfs/dbraw/zinc/05/25/60/175052560.db2.gz	ICVALCAMHYINHH-UHFFFAOYSA-N	-1	3	256.252	3.701	10	0		CHAEHM
Cc1cccc(C(=O)N2CC=C(c3ccccc3)CC2)c1[O-]	ZINC000078231799	329947524	/nfs/dbraw/zinc/94/75/24/329947524.db2.gz	CKCKVMWQNDMLKU-UHFFFAOYSA-N	-1	3	293.366	3.630	10	0		CHAEHM
Cc1cccc([O-])c1NC(=O)[C@@H]1C[C@@H]1C1CCCCC1	ZINC000183081262	333118800	/nfs/dbraw/zinc/11/88/00/333118800.db2.gz	XZARKTWMRPHHHX-ZIAGYGMSSA-N	-1	3	273.376	3.856	10	0		CHAEHM
O=c1[n-]c2c(o1)c(Cl)c(Br)cc2Cl	ZINC000062558207	526379235	/nfs/dbraw/zinc/37/92/35/526379235.db2.gz	MRLJGLPBYHWHGY-UHFFFAOYSA-N	-1	3	282.908	3.603	10	0		CHAEHM
O=C1[N-]c2cccc(CCCCCc3ccccc3)c2C1=O	ZINC000001531432	560181485	/nfs/dbraw/zinc/18/14/85/560181485.db2.gz	FHHUFXFTSWTUMR-UHFFFAOYSA-N	-1	3	293.366	3.777	10	0	biogenic,in-vitro	CHAEHM
[O-]c1cc2ccc(Br)cc2nc1C(F)F	ZINC000685962926	567210575	/nfs/dbraw/zinc/21/05/75/567210575.db2.gz	AMQCCEJIVVFYNM-UHFFFAOYSA-N	-1	3	274.064	3.641	10	0		CHAEHM
S=c1[n-]c2ccccc2nc1Cc1ccccc1	ZINC000032916891	567886517	/nfs/dbraw/zinc/88/65/17/567886517.db2.gz	CCYUPNKMSOMATD-UHFFFAOYSA-N	-1	3	252.342	3.883	10	0		CHAEHM
C[C@H](NCc1ccc(C(=O)[O-])s1)c1ccc(F)c(F)c1	ZINC000706238296	969014523	/nfs/dbraw/zinc/01/45/23/969014523.db2.gz	HLLKDPONDZJLTM-QMMMGPOBSA-N	-1	3	297.326	3.575	10	0		CHAEHM
Cc1ccc(CN(C)Cc2ccc(C)c(C(=O)[O-])c2)s1	ZINC000701823269	977045903	/nfs/dbraw/zinc/04/59/03/977045903.db2.gz	NRTFEFYHZNWHEH-UHFFFAOYSA-N	-1	3	289.400	3.695	10	0		CHAEHM
C[C@H](CC1CCCCC1)N[C@H](C)c1ncc(C(=O)[O-])s1	ZINC000709929569	977472963	/nfs/dbraw/zinc/47/29/63/977472963.db2.gz	DKVOMCCOAMEFJY-GHMZBOCLSA-N	-1	3	296.436	3.851	10	0		CHAEHM
S=c1nnc(-c2cccs2)c(-c2cccs2)[n-]1	ZINC000096930039	185131903	/nfs/dbraw/zinc/13/19/03/185131903.db2.gz	IBIHJCNSUOYWQE-UHFFFAOYSA-N	-1	3	277.399	3.617	10	0		CHAEHM
C[C@H](CC(=O)[O-])N[C@H](C)c1ccc(Cl)cc1Cl	ZINC000035748222	172395672	/nfs/dbraw/zinc/39/56/72/172395672.db2.gz	IKOHPMJQUFBXBF-HTQZYQBOSA-N	-1	3	276.163	3.507	10	0		CHAEHM
CC[C@@H](C)N[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl	ZINC000038066410	174077354	/nfs/dbraw/zinc/07/73/54/174077354.db2.gz	JXXDMKJCTWRWLX-HQJQHLMTSA-N	-1	3	276.163	3.507	10	0		CHAEHM
CC[C@H](C)N[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl	ZINC000038065997	174077752	/nfs/dbraw/zinc/07/77/52/174077752.db2.gz	XXUNPHBZTWMLCH-WRWORJQWSA-N	-1	3	276.163	3.507	10	0		CHAEHM
CC(=O)c1c[n-]c2c(Cl)ccc(C(F)(F)F)c2c1=O	ZINC000040176329	174201405	/nfs/dbraw/zinc/20/14/05/174201405.db2.gz	KZYMVXAFFOWRQC-UHFFFAOYSA-N	-1	3	289.640	3.815	10	0		CHAEHM
[O-]c1ccc(-c2ccnc3[nH]ccc32)cc1-c1ccno1	ZINC000072410559	176398391	/nfs/dbraw/zinc/39/83/91/176398391.db2.gz	HCXAYTPVHONJLQ-UHFFFAOYSA-N	-1	3	277.283	3.591	10	0		CHAEHM
Cc1cccc(C(=O)N[C@H](C)c2ccccc2Cl)c1[O-]	ZINC000042253191	328763322	/nfs/dbraw/zinc/76/33/22/328763322.db2.gz	RPUDCOZHLSADLX-LLVKDONJSA-N	-1	3	289.762	3.845	10	0		CHAEHM
O=C([O-])CC1C[C@H]2CC[C@@H](C1)N2Cc1ccc(Cl)cc1	ZINC000062708096	527570299	/nfs/dbraw/zinc/57/02/99/527570299.db2.gz	PQNVMGWEDMPXCG-LQDVMPOASA-N	-1	3	293.794	3.558	10	0		CHAEHM
Cc1ncc2c(c1[O-])CN(c1c(Cl)cccc1Cl)C2	ZINC000000015586	169506516	/nfs/dbraw/zinc/50/65/16/169506516.db2.gz	QRRBOOSQPIYANZ-UHFFFAOYSA-N	-1	3	295.169	3.923	10	0		CHAEHM
CCc1cccc(C)c1NC(=O)c1ccc([O-])cc1	ZINC000019837936	170886353	/nfs/dbraw/zinc/88/63/53/170886353.db2.gz	ZDYNGDMOLBWUHV-UHFFFAOYSA-N	-1	3	255.317	3.515	10	0		CHAEHM
CC(C)c1cccc(NC(=O)c2ccc([O-])cc2)c1	ZINC000020362202	171160719	/nfs/dbraw/zinc/16/07/19/171160719.db2.gz	QZSBLQQGCGGTRT-UHFFFAOYSA-N	-1	3	255.317	3.768	10	0		CHAEHM
C[C@H](NC(=O)c1cccc([O-])c1)c1ccc(F)c(Cl)c1	ZINC000182218913	329240943	/nfs/dbraw/zinc/24/09/43/329240943.db2.gz	JCTFJQQFUASQMH-VIFPVBQESA-N	-1	3	293.725	3.676	10	0		CHAEHM
O=C(Nc1cccc([O-])c1F)[C@H]1C[C@@H]1C1CCCCC1	ZINC000129755398	329619990	/nfs/dbraw/zinc/61/99/90/329619990.db2.gz	BNWSBXUEVILJPL-NEPJUHHUSA-N	-1	3	277.339	3.686	10	0		CHAEHM
CC[C@H](N[C@H](C)C(=O)[O-])c1ccc(Cl)cc1Cl	ZINC000049356108	522729265	/nfs/dbraw/zinc/72/92/65/522729265.db2.gz	YRWBARCVYIQITD-HQJQHLMTSA-N	-1	3	276.163	3.507	10	0		CHAEHM
O=C([O-])CC1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1Cl	ZINC000062708095	527570388	/nfs/dbraw/zinc/57/03/88/527570388.db2.gz	QZLSOBMHEQPOJU-QXMXGUDHSA-N	-1	3	293.794	3.558	10	0		CHAEHM
COc1cc2cc3c(c([O-])c2c(OC)c1)[C@@H](C)O[C@@H](C)C3	ZINC000004098436	560195708	/nfs/dbraw/zinc/19/57/08/560195708.db2.gz	DJBNDURQGGCIGN-VHSXEESVSA-N	-1	3	288.343	3.585	10	0	in-vitro	CHAEHM
Cc1ccc([C@@H](C)NCc2csc(C(=O)[O-])c2)cc1F	ZINC000689111784	976225593	/nfs/dbraw/zinc/22/55/93/976225593.db2.gz	VYNYGCGWKOCAAK-SNVBAGLBSA-N	-1	3	293.363	3.745	10	0		CHAEHM
Cc1cc(Cl)nc2c([O-])ccc(Br)c12	ZINC000082788522	178293748	/nfs/dbraw/zinc/29/37/48/178293748.db2.gz	FCYLZMUGVXDJLP-UHFFFAOYSA-N	-1	3	272.529	3.665	10	0		CHAEHM
Cc1ccc2sc(-c3ccc(N)cc3[O-])nc2c1	ZINC000037204421	173026588	/nfs/dbraw/zinc/02/65/88/173026588.db2.gz	RNKHMIFXORXHGB-UHFFFAOYSA-N	-1	3	256.330	3.560	10	0		CHAEHM
Cc1ccccc1Cn1[n-]c(C(C)(C)C)cc1=S	ZINC000071187457	176060586	/nfs/dbraw/zinc/06/05/86/176060586.db2.gz	PUZVLFAXJKPQIU-UHFFFAOYSA-N	-1	3	260.406	3.826	10	0		CHAEHM
CC(C)c1ccc2nc([N-]C(=O)c3ccno3)sc2c1	ZINC000009704350	170384871	/nfs/dbraw/zinc/38/48/71/170384871.db2.gz	AAUDHPOPSQGPCR-UHFFFAOYSA-N	-1	3	287.344	3.660	10	0		CHAEHM
Cc1ccc2nc(NC(=O)c3cc(C)ccc3[O-])sc2c1	ZINC000021514959	171312029	/nfs/dbraw/zinc/31/20/29/171312029.db2.gz	CYGDVVODQBPWLX-UHFFFAOYSA-N	-1	3	298.367	3.871	10	0		CHAEHM
CCc1c(C)nc(-c2ccc(C(C)(C)C)cc2)[n-]c1=O	ZINC000038003954	173965955	/nfs/dbraw/zinc/96/59/55/173965955.db2.gz	UADVDFILOMHZCU-UHFFFAOYSA-N	-1	3	270.376	3.605	10	0		CHAEHM
[O-]c1cc(-c2ccccc2)c(O)cc1Br	ZINC000039119155	174163228	/nfs/dbraw/zinc/16/32/28/174163228.db2.gz	GQPWSGQGTLGDAW-UHFFFAOYSA-N	-1	3	265.106	3.527	10	0		CHAEHM
COc1ccc(-c2cc3ccc(O)cc3o2)c([O-])c1	ZINC000000024554	560176871	/nfs/dbraw/zinc/17/68/71/560176871.db2.gz	XDBDADAPEFSDHG-UHFFFAOYSA-N	-1	3	256.257	3.520	10	0	biogenic,in-vitro	CHAEHM
COc1ccc(-c2cc3cc(O)c(OC)cc3o2)c([O-])c1	ZINC000000897900	560179144	/nfs/dbraw/zinc/17/91/44/560179144.db2.gz	BVSPXSLCUKWRNP-UHFFFAOYSA-N	-1	3	286.283	3.528	10	0	biogenic,in-vitro	CHAEHM
Cc1cccc(C(=O)N[C@H](C)c2cccc(Cl)c2)c1[O-]	ZINC000042253220	328763219	/nfs/dbraw/zinc/76/32/19/328763219.db2.gz	AUFNUXXZSOHXHB-LLVKDONJSA-N	-1	3	289.762	3.845	10	0		CHAEHM
C[C@H]1CC[C@H](NC(=O)c2cccc([O-])c2)c2ccccc21	ZINC000182894539	329245831	/nfs/dbraw/zinc/24/58/31/329245831.db2.gz	HQYBULJQWDXNQP-SJCJKPOMSA-N	-1	3	281.355	3.761	10	0		CHAEHM
CSc1ccc([C@H](C)N2CCCC[C@H]2C(=O)[O-])cc1F	ZINC000263437119	330055818	/nfs/dbraw/zinc/05/58/18/330055818.db2.gz	UZHUVXOGHYHQPO-GWCFXTLKSA-N	-1	3	297.395	3.548	10	0		CHAEHM
C[C@H]1c2sccc2CCN1Cc1cccc(C(=O)[O-])c1	ZINC000712341010	955063299	/nfs/dbraw/zinc/06/32/99/955063299.db2.gz	LSHFBGOJZFNJCF-NSHDSACASA-N	-1	3	287.384	3.566	10	0		CHAEHM
O=C([O-])c1cccc(CN2CCC(C3CC3)CC2)c1Cl	ZINC000724687815	978235778	/nfs/dbraw/zinc/23/57/78/978235778.db2.gz	RBEYFEPPXKWDPG-UHFFFAOYSA-N	-1	3	293.794	3.660	10	0		CHAEHM
O=C([O-])c1oc2ccccc2c1NC(=O)c1ccccc1F	ZINC000040166178	174197615	/nfs/dbraw/zinc/19/76/15/174197615.db2.gz	HYSAEITUESOGDX-UHFFFAOYSA-N	-1	3	299.257	3.522	10	0		CHAEHM
[O-]c1ccc(CNc2ccc3c[nH]nc3c2)cc1Cl	ZINC000043479788	175056055	/nfs/dbraw/zinc/05/60/55/175056055.db2.gz	PUIAJRRWODQIFH-UHFFFAOYSA-N	-1	3	273.723	3.534	10	0		CHAEHM
CCc1ccc([O-])c(-c2nc(-c3ccsc3)no2)c1	ZINC000184835043	262299489	/nfs/dbraw/zinc/29/94/89/262299489.db2.gz	XONYIZXJQAOFPC-UHFFFAOYSA-N	-1	3	272.329	3.733	10	0		CHAEHM
C[C@@H](NC(=O)c1cccc([O-])c1)c1ccc(F)c(Cl)c1	ZINC000182218934	329241072	/nfs/dbraw/zinc/24/10/72/329241072.db2.gz	JCTFJQQFUASQMH-SECBINFHSA-N	-1	3	293.725	3.676	10	0		CHAEHM
Cc1ccc([C@H]2CCCCN2C(=O)c2cccc([O-])c2)o1	ZINC000182500117	329242633	/nfs/dbraw/zinc/24/26/33/329242633.db2.gz	VWLMHXWIKFCNLI-OAHLLOKOSA-N	-1	3	285.343	3.661	10	0		CHAEHM
O=c1cc(-c2ccc(Cl)cc2Cl)[nH]c(=S)[n-]1	ZINC000084122998	570273604	/nfs/dbraw/zinc/27/36/04/570273604.db2.gz	SLIHEXNUVVRPER-UHFFFAOYSA-N	-1	3	273.144	3.819	10	0		CHAEHM