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@H](O)CC(=O)Nc1ccc([O-])c(Cl)c1	ZINC000096003996	185062089	/nfs/dbraw/zinc/06/20/89/185062089.db2.gz	GMTGYFOYJVDARF-LLVKDONJSA-N	-1	1	257.717	2.391	50	0		CEAAMM
CCCc1ccc(N2C[C@@H](C(=O)[N-]OCC)CC2=O)cc1	ZINC000032795799	361757237	/nfs/dbraw/zinc/75/72/37/361757237.db2.gz	VSFLQALJDDWREM-ZDUSSCGKSA-N	-1	1	290.363	2.060	50	0		CEAAMM
C[C@@H]1CN(CCC(=O)[O-])Cc2cc(Cl)ccc2O1	ZINC000032919487	361766548	/nfs/dbraw/zinc/76/65/48/361766548.db2.gz	MDIQVARUQDEDGU-SECBINFHSA-N	-1	1	269.728	2.398	50	0		CEAAMM
O=c1[n-]c(CNc2ccccc2)nn1Cc1ccc(F)cc1	ZINC000036559149	361847784	/nfs/dbraw/zinc/84/77/84/361847784.db2.gz	CGKFVDZMGKOLLJ-UHFFFAOYSA-N	-1	1	298.321	2.371	50	0		CEAAMM
CSc1nc2nc(-c3ccccc3)oc2c(=O)[n-]1	ZINC000041154729	362022853	/nfs/dbraw/zinc/02/28/53/362022853.db2.gz	RXIGVJXGESTJMM-UHFFFAOYSA-N	-1	1	259.290	2.300	50	0		CEAAMM
O=C1[N-]C(=S)S/C1=C\c1c(F)cccc1F	ZINC000015912683	343370534	/nfs/dbraw/zinc/37/05/34/343370534.db2.gz	VGGHFPIUFUYCGJ-YWEYNIOJSA-N	-1	1	257.286	2.454	50	0		CEAAMM
COc1ccc(C(C)=O)c([O-])c1I	ZINC000140978737	344399606	/nfs/dbraw/zinc/39/96/06/344399606.db2.gz	VDKHLGRLCCICBH-UHFFFAOYSA-N	-1	1	292.072	2.208	50	0		CEAAMM
CCCc1cc(C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)n[nH]1	ZINC000236897766	370649621	/nfs/dbraw/zinc/64/96/21/370649621.db2.gz	BQWLDUAWLSDVSK-NSHDSACASA-N	-1	1	293.367	2.079	50	0		CEAAMM
Cc1cc([C@H](C)C(=O)NCc2n[n-]c(=S)n2C)c(C)o1	ZINC000066625669	362876383	/nfs/dbraw/zinc/87/63/83/362876383.db2.gz	WLBLLVQRPPGMJO-QMMMGPOBSA-N	-1	1	294.380	2.107	50	0		CEAAMM
COCCC[C@]1(C(=O)[O-])CCCN(Cc2cscn2)C1	ZINC000091997935	180302874	/nfs/dbraw/zinc/30/28/74/180302874.db2.gz	DXGYGGGMKKRBSK-CQSZACIVSA-N	-1	1	298.408	2.237	50	0		CEAAMM
O=C(Nc1cc(C2CCOCC2)[nH]n1)c1ccccc1[O-]	ZINC000075180303	363448458	/nfs/dbraw/zinc/44/84/58/363448458.db2.gz	DAWCQCMCSSKDDR-UHFFFAOYSA-N	-1	1	287.319	2.262	50	0		CEAAMM
CCOc1ccccc1NC(=O)[N-]C(=O)C(F)(F)F	ZINC000000081897	361125094	/nfs/dbraw/zinc/12/50/94/361125094.db2.gz	SGPJGDVCIRWIRO-UHFFFAOYSA-N	-1	1	276.214	2.296	50	0		CEAAMM
CCOc1ccccc1NC([O-])=NC(=O)C(F)(F)F	ZINC000000081897	361125100	/nfs/dbraw/zinc/12/51/00/361125100.db2.gz	SGPJGDVCIRWIRO-UHFFFAOYSA-N	-1	1	276.214	2.296	50	0		CEAAMM
O=C(Cc1ccc2c(c1)OCCO2)c1ccc([O-])cc1O	ZINC000000517360	361182487	/nfs/dbraw/zinc/18/24/87/361182487.db2.gz	LYEBOTAMLVBLFZ-UHFFFAOYSA-N	-1	1	286.283	2.294	50	0		CEAAMM
COc1ccc(NC(=O)c2cncc([O-])c2)cc1OC	ZINC000000620851	361191555	/nfs/dbraw/zinc/19/15/55/361191555.db2.gz	BZKCBYKNDMEHOM-UHFFFAOYSA-N	-1	1	274.276	2.057	50	0		CEAAMM
Cc1[nH]c(SCC(=O)[O-])nc1Cc1ccccc1	ZINC000003394845	361277792	/nfs/dbraw/zinc/27/77/92/361277792.db2.gz	RJTWMYBWAYDMBS-UHFFFAOYSA-N	-1	1	262.334	2.486	50	0		CEAAMM
Cc1noc(C)c1S(=O)(=O)[N-]Cc1ccc(F)c(C)c1	ZINC000010676123	361354154	/nfs/dbraw/zinc/35/41/54/361354154.db2.gz	JBTVOCAOZVICJT-UHFFFAOYSA-N	-1	1	298.339	2.217	50	0		CEAAMM
O=C(c1cc(Br)ccc1[O-])N1CCCC1	ZINC000011639388	361361125	/nfs/dbraw/zinc/36/11/25/361361125.db2.gz	LKUTXDYDXVLSLR-UHFFFAOYSA-N	-1	1	270.126	2.391	50	0		CEAAMM
CSc1nc(CN2CCCc3ccccc32)cc(=O)[n-]1	ZINC000012735152	361397539	/nfs/dbraw/zinc/39/75/39/361397539.db2.gz	BABJGKWESOAVKJ-UHFFFAOYSA-N	-1	1	287.388	2.445	50	0		CEAAMM
C[C@@H](NC(=O)c1nc2ccccc2c(=O)[n-]1)c1ccccc1	ZINC000012945573	361410226	/nfs/dbraw/zinc/41/02/26/361410226.db2.gz	FALNCCFILVEYCV-LLVKDONJSA-N	-1	1	293.326	2.414	50	0		CEAAMM
NC(=O)c1cc(-c2csc(C3CC3)n2)ccc1[O-]	ZINC000028334980	361671949	/nfs/dbraw/zinc/67/19/49/361671949.db2.gz	JEFWGRILICFUBU-UHFFFAOYSA-N	-1	1	260.318	2.492	50	0		CEAAMM
Cn1ccnc1CN1CCC[C@@H](c2ccc(C(=O)[O-])cc2)C1	ZINC000095379911	364351356	/nfs/dbraw/zinc/35/13/56/364351356.db2.gz	KHKPMFDZLTYULB-OAHLLOKOSA-N	-1	1	299.374	2.498	50	0		CEAAMM
Cc1[n-][nH]c(=O)c1Oc1ccc(Cl)cc1Cl	ZINC000100314371	364544156	/nfs/dbraw/zinc/54/41/56/364544156.db2.gz	AEFIPCCALRQVBQ-SECBINFHSA-N	-1	1	259.092	2.247	50	0		CEAAMM
Cc1[nH][n-]c(=O)c1Oc1ccc(Cl)cc1Cl	ZINC000100314371	364544163	/nfs/dbraw/zinc/54/41/63/364544163.db2.gz	AEFIPCCALRQVBQ-SECBINFHSA-N	-1	1	259.092	2.247	50	0		CEAAMM
Cc1nc([C@@H]2CCCN2Cc2ccccc2C(=O)[O-])n[nH]1	ZINC000215001951	370171340	/nfs/dbraw/zinc/17/13/40/370171340.db2.gz	UTCKBIZZUIAKLS-ZDUSSCGKSA-N	-1	1	286.335	2.148	50	0		CEAAMM
CC[C@H](NC(=O)c1ncccc1[O-])c1ncccc1C	ZINC000223123917	370261156	/nfs/dbraw/zinc/26/11/56/370261156.db2.gz	NPIHTAHCQSFVQS-NSHDSACASA-N	-1	1	271.320	2.372	50	0		CEAAMM
CC(C)c1ccc(S(=O)(=O)[N-]c2cnc[nH]2)cc1	ZINC000225530037	394469597	/nfs/dbraw/zinc/46/95/97/394469597.db2.gz	IFPXGGSSXKZFBI-UHFFFAOYSA-N	-1	1	265.338	2.334	50	0		CEAAMM
CCn1c(CC(=O)Nc2ccccc2OC)n[n-]c1=S	ZINC000004739107	170008559	/nfs/dbraw/zinc/00/85/59/170008559.db2.gz	NPGPTBHEAFCYIO-UHFFFAOYSA-N	-1	1	292.364	2.150	50	0		CEAAMM
O=c1[n-]c(=S)c2c(n1Cc1ccco1)CCCC2	ZINC000008737619	170352834	/nfs/dbraw/zinc/35/28/34/170352834.db2.gz	MBNNBQOQGFEKOS-UHFFFAOYSA-N	-1	1	262.334	2.426	50	0		CEAAMM
C[C@@H]1CN(CCCC(=O)[O-])C[C@@H](c2ccc(F)cc2)O1	ZINC000246990784	288157507	/nfs/dbraw/zinc/15/75/07/288157507.db2.gz	SRMYTZUXUIUHSF-RISCZKNCSA-N	-1	1	281.327	2.452	50	0		CEAAMM
C/C=C\C(=O)OCc1cc(=O)oc2cc([O-])ccc12	ZINC000096451685	526309039	/nfs/dbraw/zinc/30/90/39/526309039.db2.gz	JHHDATJVHUVTEX-IHWYPQMZSA-N	-1	1	260.245	2.118	50	0		CEAAMM
c1cc(Oc2nnn[n-]2)ccc1NC1CCSCC1	ZINC000032547899	807397699	/nfs/dbraw/zinc/39/76/99/807397699.db2.gz	WUDFNVGARIFJTD-UHFFFAOYSA-N	-1	1	277.353	2.300	50	0		CEAAMM
c1cc(Oc2nn[n-]n2)ccc1NC1CCSCC1	ZINC000032547899	807397705	/nfs/dbraw/zinc/39/77/05/807397705.db2.gz	WUDFNVGARIFJTD-UHFFFAOYSA-N	-1	1	277.353	2.300	50	0		CEAAMM
CC[C@@H](NCc1cccc(C(=O)[O-])n1)c1ccncc1	ZINC000822662145	810592067	/nfs/dbraw/zinc/59/20/67/810592067.db2.gz	KJAQFHGFXYXCGX-CYBMUJFWSA-N	-1	1	271.320	2.416	50	0		CEAAMM
CC(C)c1ccc(C(=O)N(C)C[C@@H](C)c2nn[n-]n2)s1	ZINC000124409825	365651006	/nfs/dbraw/zinc/65/10/06/365651006.db2.gz	RMHIUBHUARWHQE-SECBINFHSA-N	-1	1	293.396	2.260	50	0		CEAAMM
COc1cccc(NC(=O)c2c(C)[nH]c(=O)[n-]c2=S)c1	ZINC000005285767	343354004	/nfs/dbraw/zinc/35/40/04/343354004.db2.gz	UTGQNPLTXDJUDI-UHFFFAOYSA-N	-1	1	291.332	2.040	50	0		CEAAMM
CCOC(=O)C(=C(C)[O-])c1c(F)c(F)ccc1[N+](=O)[O-]	ZINC000095642825	344237265	/nfs/dbraw/zinc/23/72/65/344237265.db2.gz	MUADLTCJSNZNAN-SECBINFHSA-N	-1	1	287.218	2.109	50	0		CEAAMM
CCCc1cc(C(=O)N2CCCC[C@H]2CCC(=O)[O-])n[nH]1	ZINC000236897191	370649912	/nfs/dbraw/zinc/64/99/12/370649912.db2.gz	LRFDBZFTPPYMHW-LBPRGKRZSA-N	-1	1	293.367	2.222	50	0		CEAAMM
Cc1cccc2oc(-c3nc4c([n-]3)C(=O)NCCC4)nc21	ZINC000065491049	362826862	/nfs/dbraw/zinc/82/68/62/362826862.db2.gz	JSZGIDHTQRGDCU-UHFFFAOYSA-N	-1	1	282.303	2.202	50	0		CEAAMM
Cc1cccc2oc(-c3nc4c([n-]3)CCCNC4=O)nc21	ZINC000065491049	362826866	/nfs/dbraw/zinc/82/68/66/362826866.db2.gz	JSZGIDHTQRGDCU-UHFFFAOYSA-N	-1	1	282.303	2.202	50	0		CEAAMM
CC[N-]S(=O)(=O)c1cc(Cl)sc1Cl	ZINC000001024280	361197141	/nfs/dbraw/zinc/19/71/41/361197141.db2.gz	KQDQINTXQXTLDF-UHFFFAOYSA-N	-1	1	260.167	2.353	50	0		CEAAMM
CCOc1ccc(/C=C2/NC(=S)[N-]C2=O)cc1Cl	ZINC000000367947	361166503	/nfs/dbraw/zinc/16/65/03/361166503.db2.gz	IFUSVTCZORPVLU-RMKNXTFCSA-N	-1	1	282.752	2.084	50	0		CEAAMM
O=C(Nc1nc2c(c(=O)[n-]1)CCCC2)c1ccc(F)cc1	ZINC000004002866	361296275	/nfs/dbraw/zinc/29/62/75/361296275.db2.gz	APIMXOHDYFYGSB-UHFFFAOYSA-N	-1	1	287.294	2.040	50	0		CEAAMM
O=c1[n-]c(C(F)(F)F)nc2ncc(Br)cc12	ZINC000082046946	363750350	/nfs/dbraw/zinc/75/03/50/363750350.db2.gz	LEMQPFCUXJPYLE-UHFFFAOYSA-N	-1	1	294.030	2.099	50	0		CEAAMM
O=c1[n-]c(Nc2ccc3c(c2)OCCO3)nc2c1CCCC2	ZINC000011903448	361368761	/nfs/dbraw/zinc/36/87/61/361368761.db2.gz	JVLPRWJYZGAKFO-UHFFFAOYSA-N	-1	1	299.330	2.164	50	0		CEAAMM
C[C@H](NC(=O)c1nc2ccccc2c(=O)[n-]1)c1ccccc1	ZINC000012945578	361410067	/nfs/dbraw/zinc/41/00/67/361410067.db2.gz	FALNCCFILVEYCV-NSHDSACASA-N	-1	1	293.326	2.414	50	0		CEAAMM
Cc1nc(N)[n-]c(=O)c1Oc1cccc(C(F)(F)F)c1	ZINC000013469664	361429422	/nfs/dbraw/zinc/42/94/22/361429422.db2.gz	WEOLXYKMOHWBNS-UHFFFAOYSA-N	-1	1	285.225	2.472	50	0		CEAAMM
O=C([O-])CCCN1CCN(c2ccccc2Cl)CC1	ZINC000020433410	361583513	/nfs/dbraw/zinc/58/35/13/361583513.db2.gz	ZOZLBOOXRRWXBG-UHFFFAOYSA-N	-1	1	282.771	2.327	50	0		CEAAMM
CCc1cc(=O)[n-]c(SCc2noc(C(C)(C)C)n2)n1	ZINC000195074066	370102337	/nfs/dbraw/zinc/10/23/37/370102337.db2.gz	ANOUSTPDCLZPRQ-UHFFFAOYSA-N	-1	1	294.380	2.305	50	0		CEAAMM
COC(=O)c1ccc(CSc2nc(C)c(C)c(=O)[n-]2)o1	ZINC000005155242	170071396	/nfs/dbraw/zinc/07/13/96/170071396.db2.gz	YAVSHPMARZKJHQ-UHFFFAOYSA-N	-1	1	294.332	2.059	50	0		CEAAMM
Cc1noc2nc(C(Cl)(Cl)Cl)[n-]c(=O)c12	ZINC000006404074	279258989	/nfs/dbraw/zinc/25/89/89/279258989.db2.gz	NYQJLDWTXNTZEC-UHFFFAOYSA-N	-1	1	268.487	2.046	50	0		CEAAMM
Cc1cc(=O)[n-]c(Nc2nc(C)c3cccc(C)c3n2)n1	ZINC000005014384	280301535	/nfs/dbraw/zinc/30/15/35/280301535.db2.gz	FRFZJJKGHMWFFJ-UHFFFAOYSA-N	-1	1	281.319	2.382	50	0		CEAAMM
CN(Cc1cscn1)C(=O)c1cc(F)ccc1[O-]	ZINC000080004762	327140660	/nfs/dbraw/zinc/14/06/60/327140660.db2.gz	BPMZPGWPWUETOY-UHFFFAOYSA-N	-1	1	266.297	2.260	50	0		CEAAMM
O=C(CSc1nccc(=O)[n-]1)c1cc2ccccc2o1	ZINC000009143494	527070158	/nfs/dbraw/zinc/07/01/58/527070158.db2.gz	HQTQJVIKRBXQAZ-UHFFFAOYSA-N	-1	1	286.312	2.491	50	0		CEAAMM
CC[C@@H](NC(=O)Cc1cccc2ccccc21)c1nn[n-]n1	ZINC000584906900	813604069	/nfs/dbraw/zinc/60/40/69/813604069.db2.gz	RKPRUCWAOBWXSC-CQSZACIVSA-N	-1	1	295.346	2.163	50	0		CEAAMM
Cc1c([N-]S(=O)(=O)c2ccccc2)[nH]nc1C1CC1	ZINC000096471636	230379067	/nfs/dbraw/zinc/37/90/67/230379067.db2.gz	FSCUIKAZBFCVGB-UHFFFAOYSA-N	-1	1	277.349	2.396	50	0		CEAAMM
O=C([O-])CCCCN1CCN(c2ccccc2F)CC1	ZINC000037746677	361927453	/nfs/dbraw/zinc/92/74/53/361927453.db2.gz	WCKYJTPKQDZGGQ-UHFFFAOYSA-N	-1	1	280.343	2.203	50	0		CEAAMM
CCc1cc(=O)[n-]c(SCc2nccn2C(C)C)n1	ZINC000170601439	529507099	/nfs/dbraw/zinc/50/70/99/529507099.db2.gz	VAUDJBDTTUOPJG-UHFFFAOYSA-N	-1	1	278.381	2.402	50	0		CEAAMM
O=C([O-])[C@H]1CCCCN1Cc1c(F)cccc1[N+](=O)[O-]	ZINC000158343705	344450762	/nfs/dbraw/zinc/45/07/62/344450762.db2.gz	YFXTUUVKGIKUFL-GFCCVEGCSA-N	-1	1	282.271	2.173	50	0		CEAAMM
CCOc1ccc(Cl)c(C(=O)[N-]c2nc(C)no2)n1	ZINC000069617855	362985263	/nfs/dbraw/zinc/98/52/63/362985263.db2.gz	RWDNIVYGSMUHLW-UHFFFAOYSA-N	-1	1	282.687	2.077	50	0		CEAAMM
CCOC(=O)CCc1c(C)c2ccc([O-])cc2oc1=O	ZINC000000091097	361126176	/nfs/dbraw/zinc/12/61/76/361126176.db2.gz	JFRVIXNRVMZXFB-UHFFFAOYSA-N	-1	1	276.288	2.303	50	0		CEAAMM
Cc1cc(=O)[n-]c(S[C@@H](C)C(=O)Nc2ccccc2)n1	ZINC000000798421	361192216	/nfs/dbraw/zinc/19/22/16/361192216.db2.gz	NHVPZMSBQBEXNV-JTQLQIEISA-N	-1	1	289.360	2.198	50	0		CEAAMM
Nn1c(Cc2ccc(Br)cc2)n[n-]c1=S	ZINC000018114529	361515799	/nfs/dbraw/zinc/51/57/99/361515799.db2.gz	DDZFKCBKISTXMM-UHFFFAOYSA-N	-1	1	285.170	2.008	50	0		CEAAMM
CC(C)(C)SCC(=O)Nc1n[n-]c(C(F)(F)F)n1	ZINC000026252164	361637350	/nfs/dbraw/zinc/63/73/50/361637350.db2.gz	XWFBPDZDVCHMRB-UHFFFAOYSA-N	-1	1	282.291	2.294	50	0		CEAAMM
O=C(Nc1nnn[n-]1)[C@H]1C[C@@H]1c1ccc2ccccc2c1	ZINC000089878746	364012345	/nfs/dbraw/zinc/01/23/45/364012345.db2.gz	KBFXKOADVNAKOQ-OLZOCXBDSA-N	-1	1	279.303	2.095	50	0		CEAAMM
O=C(Nc1nn[n-]n1)[C@H]1C[C@@H]1c1ccc2ccccc2c1	ZINC000089878746	364012349	/nfs/dbraw/zinc/01/23/49/364012349.db2.gz	KBFXKOADVNAKOQ-OLZOCXBDSA-N	-1	1	279.303	2.095	50	0		CEAAMM
Cc1nc(SCCC[N-]C(=O)C(F)(F)F)oc1C	ZINC000089558669	363979480	/nfs/dbraw/zinc/97/94/80/363979480.db2.gz	HRMPSCUMXIWACV-UHFFFAOYSA-N	-1	1	282.287	2.452	50	0		CEAAMM
COC(=O)C[C@H](c1c(C)[n-][nH]c1=O)c1ccc(F)c(F)c1	ZINC000095473569	364390344	/nfs/dbraw/zinc/39/03/44/364390344.db2.gz	VPGNFFZEQZOHCS-VIFPVBQESA-N	-1	1	296.273	2.397	50	0		CEAAMM
COC(=O)c1ccc([O-])c(NC(=O)C2(SC)CC2)c1	ZINC000225737535	370315370	/nfs/dbraw/zinc/31/53/70/370315370.db2.gz	HHWQNIYPWVWHFH-UHFFFAOYSA-N	-1	1	281.333	2.013	50	0		CEAAMM
CCOc1cc2c(cc1C[N@@H+](C)[C@@H](C)C(=O)[O-])O[C@@H](C)C2	ZINC000226418783	370341196	/nfs/dbraw/zinc/34/11/96/370341196.db2.gz	ZHLDWJHGRRLFKN-QWRGUYRKSA-N	-1	1	293.363	2.314	50	0		CEAAMM
C[C@@H]1CN(CCCC(=O)[O-])[C@@H](c2ccccc2)CO1	ZINC000247546575	371124252	/nfs/dbraw/zinc/12/42/52/371124252.db2.gz	POLFKWBEZZEUSA-TZMCWYRMSA-N	-1	1	263.337	2.313	50	0		CEAAMM
Nc1[nH][n-]c(=O)c1-c1cc(-c2ccc(Cl)cc2)[nH]n1	ZINC000257173808	190005838	/nfs/dbraw/zinc/00/58/38/190005838.db2.gz	XXFIEENWDMAQMR-UHFFFAOYSA-N	-1	1	275.699	2.408	50	0		CEAAMM
CC(C)(C)[C@@H]1CCC[C@@H]1Nc1nc2[nH][n-]cc-2c(=O)n1	ZINC000562732415	376988583	/nfs/dbraw/zinc/98/85/83/376988583.db2.gz	ULJKPENFSNNLQM-ZJUUUORDSA-N	-1	1	275.356	2.059	50	0		CEAAMM
C[C@H]1CN(CC(=O)[O-])Cc2cc(Cl)ccc2O1	ZINC000299788257	379140801	/nfs/dbraw/zinc/14/08/01/379140801.db2.gz	WFZNIUDFVQFGKH-QMMMGPOBSA-N	-1	1	255.701	2.008	50	0		CEAAMM
O=C(N[C@H]1C[C@@H]2OCC[C@H]12)c1cc2ccccc2cc1[O-]	ZINC000219622017	394460770	/nfs/dbraw/zinc/46/07/70/394460770.db2.gz	MKGZEMKMOJSNDM-INWMFGNUSA-N	-1	1	283.327	2.453	50	0		CEAAMM
Cc1ccc(-n2ccn3c(n[n-]c3=S)c2=O)cc1C	ZINC000253471811	394577953	/nfs/dbraw/zinc/57/79/53/394577953.db2.gz	FUGBYMJWAFEORS-UHFFFAOYSA-N	-1	1	272.333	2.160	50	0		CEAAMM
O=C1[N-]C(=S)NC1=Cc1ccc(-c2ccc(F)cc2)o1	ZINC000004119371	169935233	/nfs/dbraw/zinc/93/52/33/169935233.db2.gz	YGDYLUWBJYIBTG-YRNVUSSQSA-N	-1	1	288.303	2.431	50	0		CEAAMM
Fc1cccc(Cl)c1CNn1cn[n-]c1=S	ZINC000005995943	170165831	/nfs/dbraw/zinc/16/58/31/170165831.db2.gz	AGBWNXKUBMKZSW-UHFFFAOYSA-N	-1	1	258.709	2.477	50	0		CEAAMM
CCn1cc(S(=O)(=O)[N-]c2cc(C)ccc2F)cn1	ZINC000006742105	170237644	/nfs/dbraw/zinc/23/76/44/170237644.db2.gz	MBVOUFNZCXIHKM-UHFFFAOYSA-N	-1	1	283.328	2.151	50	0		CEAAMM
O=C(Nc1ccccn1)C(=S)[N-]Cc1ccccc1	ZINC000020522690	171235646	/nfs/dbraw/zinc/23/56/46/171235646.db2.gz	SWOYOYCVGGPABP-UHFFFAOYSA-N	-1	1	271.345	2.137	50	0		CEAAMM
CCCCCc1c([O-])nc2n(c1=O)CCCS2	ZINC000020867881	171276646	/nfs/dbraw/zinc/27/66/46/171276646.db2.gz	OBJSHVKGZHDIKO-UHFFFAOYSA-N	-1	1	254.355	2.177	50	0		CEAAMM
O=C1[N-]C(=S)NC1=Cc1c(Cl)cccc1Cl	ZINC000006524946	280280953	/nfs/dbraw/zinc/28/09/53/280280953.db2.gz	RNPXRLBHRIWCDV-XBXARRHUSA-N	-1	1	273.144	2.339	50	0		CEAAMM
CC[C@H](NC(=O)c1ccc([O-])cn1)c1cc(C)ccn1	ZINC000534644092	328329756	/nfs/dbraw/zinc/32/97/56/328329756.db2.gz	LHEXKTAEFFXNGM-LBPRGKRZSA-N	-1	1	271.320	2.372	50	0		CEAAMM
COc1cc(Cl)cc(CN(C)C)c1O[C@H](C)C(=O)[O-]	ZINC000215830358	538881833	/nfs/dbraw/zinc/88/18/33/538881833.db2.gz	AHVWCDZAEORNKF-MRVPVSSYSA-N	-1	1	287.743	2.262	50	0		CEAAMM
Cc1cc(C(=O)Nc2ccc(Oc3nnn[n-]3)cc2)c(C)o1	ZINC000825303861	810717515	/nfs/dbraw/zinc/71/75/15/810717515.db2.gz	YMVOFCYZSCRMFA-UHFFFAOYSA-N	-1	1	299.290	2.454	50	0		CEAAMM
Cc1cc(C(=O)Nc2ccc(Oc3nn[n-]n3)cc2)c(C)o1	ZINC000825303861	810717518	/nfs/dbraw/zinc/71/75/18/810717518.db2.gz	YMVOFCYZSCRMFA-UHFFFAOYSA-N	-1	1	299.290	2.454	50	0		CEAAMM
Cc1cc(CS(=O)(=O)[N-]c2c(C)cccc2F)no1	ZINC000095995714	185060346	/nfs/dbraw/zinc/06/03/46/185060346.db2.gz	MONQIVXIXKOMLY-UHFFFAOYSA-N	-1	1	284.312	2.372	50	0		CEAAMM
O=S(=O)([N-]c1ccc(F)cc1Cl)c1cn[nH]c1	ZINC000037731512	361925323	/nfs/dbraw/zinc/92/53/23/361925323.db2.gz	DJQKXMUIBUSFIO-UHFFFAOYSA-N	-1	1	275.692	2.003	50	0		CEAAMM
CC(C)n1ccc(CCNC(=O)c2cc(F)ccc2[O-])n1	ZINC000079026298	343971154	/nfs/dbraw/zinc/97/11/54/343971154.db2.gz	XDFMKUIIKCTMLY-UHFFFAOYSA-N	-1	1	291.326	2.281	50	0		CEAAMM
O=C([O-])[C@@H]1CCCCN1Cc1c(F)cccc1[N+](=O)[O-]	ZINC000158343859	344450806	/nfs/dbraw/zinc/45/08/06/344450806.db2.gz	YFXTUUVKGIKUFL-LBPRGKRZSA-N	-1	1	282.271	2.173	50	0		CEAAMM
CCc1cc(=O)[n-]c(SCc2ccn(C(C)C)n2)n1	ZINC000170614899	344487009	/nfs/dbraw/zinc/48/70/09/344487009.db2.gz	OIXQERFPUKFWSV-UHFFFAOYSA-N	-1	1	278.381	2.402	50	0		CEAAMM
O=C([O-])[C@@H]1CCCCN1Cc1ccc2cc[nH]c2n1	ZINC000584895424	345001262	/nfs/dbraw/zinc/00/12/62/345001262.db2.gz	WLMMGHYRQHLLQS-LBPRGKRZSA-N	-1	1	259.309	2.002	50	0		CEAAMM
O=C(Nc1cnn(Cc2ccncc2)c1)c1ccccc1[O-]	ZINC000058228160	362614424	/nfs/dbraw/zinc/61/44/24/362614424.db2.gz	BPDPQDUAIUOMAX-UHFFFAOYSA-N	-1	1	294.314	2.284	50	0		CEAAMM
CCc1ccc(-c2ccc(C(=O)Nc3nn[n-]n3)o2)cc1	ZINC000076066106	363515431	/nfs/dbraw/zinc/51/54/31/363515431.db2.gz	LOKVEVPMAACWHF-UHFFFAOYSA-N	-1	1	283.291	2.274	50	0		CEAAMM
CCCN1CCN(Cc2cccc([O-])c2Cl)CC1=O	ZINC000670438043	540410173	/nfs/dbraw/zinc/41/01/73/540410173.db2.gz	VHQYYDVIQWQEKI-UHFFFAOYSA-N	-1	1	282.771	2.100	50	0		CEAAMM
CCCc1nnc(NC(=O)c2ccccc2[O-])s1	ZINC000000040674	361119937	/nfs/dbraw/zinc/11/99/37/361119937.db2.gz	ITZCPTNCIOREOJ-UHFFFAOYSA-N	-1	1	263.322	2.449	50	0		CEAAMM
CCS(=O)(=O)[N-]c1ccn(Cc2cccc(Cl)c2)n1	ZINC000002804784	361253095	/nfs/dbraw/zinc/25/30/95/361253095.db2.gz	FXNLQICCRDIQTH-UHFFFAOYSA-N	-1	1	299.783	2.346	50	0		CEAAMM
CCc1ccc([C@@H](CC(=O)[O-])NC(=O)C(F)(F)F)cc1	ZINC000004085614	361299338	/nfs/dbraw/zinc/29/93/38/361299338.db2.gz	XYKUJXKRUCGXBX-SNVBAGLBSA-N	-1	1	289.253	2.443	50	0		CEAAMM
Cc1cc(O)ccc1Nc1nc2c(c(=O)[n-]1)CCCC2	ZINC000011991473	361372004	/nfs/dbraw/zinc/37/20/04/361372004.db2.gz	APTRZXBFFWBDIQ-UHFFFAOYSA-N	-1	1	271.320	2.406	50	0		CEAAMM
Cc1cc(=O)[n-]c(SCCOc2ccccc2)n1	ZINC000012292177	361377433	/nfs/dbraw/zinc/37/74/33/361377433.db2.gz	PWSRSAUBXMEQFF-UHFFFAOYSA-N	-1	1	262.334	2.249	50	0		CEAAMM
Cc1n[n-]c(=S)n1NC(=O)COc1ccc(C)cc1C	ZINC000014185018	361450446	/nfs/dbraw/zinc/45/04/46/361450446.db2.gz	YLDZZWHIJHKWJQ-UHFFFAOYSA-N	-1	1	292.364	2.015	50	0		CEAAMM
Cc1[n-][nH]c(=O)c1Oc1ccc(Cl)cc1Cl	ZINC000100314375	364543951	/nfs/dbraw/zinc/54/39/51/364543951.db2.gz	AEFIPCCALRQVBQ-VIFPVBQESA-N	-1	1	259.092	2.247	50	0		CEAAMM
Cc1[nH][n-]c(=O)c1Oc1ccc(Cl)cc1Cl	ZINC000100314375	364543957	/nfs/dbraw/zinc/54/39/57/364543957.db2.gz	AEFIPCCALRQVBQ-VIFPVBQESA-N	-1	1	259.092	2.247	50	0		CEAAMM
O=c1[nH]c(N2CCC[C@@H]2c2cccc(F)c2)nc2[nH]ncc21	ZINC000170598842	367384095	/nfs/dbraw/zinc/38/40/95/367384095.db2.gz	YSOALZYDLHLOEV-GFCCVEGCSA-N	-1	1	299.309	2.127	50	0		CEAAMM
CCc1n[nH]c([N-]S(=O)(=O)c2ccccc2F)c1C	ZINC000195573261	370143444	/nfs/dbraw/zinc/14/34/44/370143444.db2.gz	XTDFAOPREXPYQX-UHFFFAOYSA-N	-1	1	283.328	2.220	50	0		CEAAMM
C[C@H](c1c(F)cccc1F)N1CC[C@@H](C(=O)[O-])C1	ZINC000226445956	370342101	/nfs/dbraw/zinc/34/21/01/370342101.db2.gz	YEWDYFDQSYUPJO-RKDXNWHRSA-N	-1	1	255.264	2.432	50	0		CEAAMM
C[C@H]1C[C@H]1c1[n-]n(C)c(=N)c1-c1ccc2c(c1)OCO2	ZINC000242273817	189905435	/nfs/dbraw/zinc/90/54/35/189905435.db2.gz	YGAGBPXQNKOMIJ-WCBMZHEXSA-N	-1	1	271.320	2.352	50	0		CEAAMM
O=C1[N-]C(=O)C(=Cc2ccc3c(c2)CCCO3)S1	ZINC000098063797	296356318	/nfs/dbraw/zinc/35/63/18/296356318.db2.gz	QLJAGVZBRIXKLO-YRNVUSSQSA-N	-1	1	261.302	2.336	50	0		CEAAMM
O=C([O-])[C@H]1CCCN(C(=O)c2cc(-c3ccccc3)[nH]n2)C1	ZINC000238077572	131076085	/nfs/dbraw/zinc/07/60/85/131076085.db2.gz	ZNFBZTYYRWNDNB-LBPRGKRZSA-N	-1	1	299.330	2.014	50	0		CEAAMM
COc1ccc2c(=O)[n-]c(C(F)(F)F)nc2c1OC	ZINC000096345686	394680151	/nfs/dbraw/zinc/68/01/51/394680151.db2.gz	NNXSBWNPPIWBOB-UHFFFAOYSA-N	-1	1	274.198	2.371	50	0		CEAAMM
COc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cn1	ZINC000006623305	170220083	/nfs/dbraw/zinc/22/00/83/170220083.db2.gz	XNQAKQDMQCUABS-UHFFFAOYSA-N	-1	1	278.333	2.199	50	0		CEAAMM
CCOC(=O)c1[n-]cnc1C(=O)Nc1cccc(Cl)c1	ZINC000008569158	170341092	/nfs/dbraw/zinc/34/10/92/170341092.db2.gz	XUIOAEONZGTDDT-UHFFFAOYSA-N	-1	1	293.710	2.492	50	0		CEAAMM
Nc1cc(=O)[n-]c(SCc2ccc(Cl)cc2)n1	ZINC000008671503	170344760	/nfs/dbraw/zinc/34/47/60/170344760.db2.gz	NBYQRHXJDNHGJK-UHFFFAOYSA-N	-1	1	267.741	2.298	50	0		CEAAMM
CCNC(=O)c1ccc(NC(=O)c2ccccc2[O-])cc1	ZINC000020512670	171231304	/nfs/dbraw/zinc/23/13/04/171231304.db2.gz	ZUMAMBBPYHCTLZ-UHFFFAOYSA-N	-1	1	284.315	2.394	50	0		CEAAMM
Nn1c(Cc2ccccc2OC(F)(F)F)n[n-]c1=S	ZINC000074934359	176637060	/nfs/dbraw/zinc/63/70/60/176637060.db2.gz	XJSWETQSHYGHDG-UHFFFAOYSA-N	-1	1	290.270	2.144	50	0		CEAAMM
CCC[C@@H](Nc1nc2[nH][n-]cc-2c(=O)n1)C1CCCC1	ZINC000665740463	419419757	/nfs/dbraw/zinc/41/97/57/419419757.db2.gz	JLPQHHCLNUHPTI-LLVKDONJSA-N	-1	1	275.356	2.203	50	0		CEAAMM
Cn1nccc1CNC(=O)c1ccc2ccccc2c1[O-]	ZINC000032914489	262378786	/nfs/dbraw/zinc/37/87/86/262378786.db2.gz	GXVOOHSSTZIFAS-UHFFFAOYSA-N	-1	1	281.315	2.209	50	0		CEAAMM
C[C@@H]1CO[C@H](c2ccccc2)CN1CCCC(=O)[O-]	ZINC000116391602	297166736	/nfs/dbraw/zinc/16/67/36/297166736.db2.gz	YVXHYCNDLGWXBI-OCCSQVGLSA-N	-1	1	263.337	2.313	50	0		CEAAMM
CCCCN(CCCC)c1[n-]c(=O)nc2nc[nH]c21	ZINC000002496762	623543602	/nfs/dbraw/zinc/54/36/02/623543602.db2.gz	XVOZQTYYESVLKF-UHFFFAOYSA-N	-1	1	263.345	2.053	50	0		CEAAMM
Cc1nnc(SC(=Cc2ccccc2)C(=O)[O-])[nH]1	ZINC000005955447	628944255	/nfs/dbraw/zinc/94/42/55/628944255.db2.gz	WOHCJTFSOQCTBE-JXMROGBWSA-N	-1	1	261.306	2.331	50	0		CEAAMM
Cc1nc(SC(=Cc2ccccc2)C(=O)[O-])n[nH]1	ZINC000005955447	628944258	/nfs/dbraw/zinc/94/42/58/628944258.db2.gz	WOHCJTFSOQCTBE-JXMROGBWSA-N	-1	1	261.306	2.331	50	0		CEAAMM
Cc1nc(Cc2c(C)[n-][nH]c2=O)n(-c2cc(C)ccc2C)n1	ZINC000198153928	808844984	/nfs/dbraw/zinc/84/49/84/808844984.db2.gz	RKJTWACUGLDRAZ-UHFFFAOYSA-N	-1	1	297.362	2.108	50	0		CEAAMM
Cc1noc(C)c1[C@@H]1CCCN1Cc1c[nH]nc1C(=O)[O-]	ZINC000071745373	813252129	/nfs/dbraw/zinc/25/21/29/813252129.db2.gz	NYQCNEZHMGPKBQ-NSHDSACASA-N	-1	1	290.323	2.050	50	0		CEAAMM
C[C@@H](OC[C@H]1CCCO1)C(=O)Nc1c([O-])cccc1F	ZINC000095960412	185043346	/nfs/dbraw/zinc/04/33/46/185043346.db2.gz	UYFITOQBORMLQI-NXEZZACHSA-N	-1	1	283.299	2.054	50	0		CEAAMM
Cc1ccccc1[C@H](O)CNC(=O)c1ccc([O-])cc1F	ZINC000097232580	344244201	/nfs/dbraw/zinc/24/42/01/344244201.db2.gz	PHDHGTXOKHBNMW-OAHLLOKOSA-N	-1	1	289.306	2.303	50	0		CEAAMM
CC1(C)CN(CCC(=O)[O-])CC[N@@H+]1Cc1ccccc1	ZINC000236911589	370652114	/nfs/dbraw/zinc/65/21/14/370652114.db2.gz	QFSNVCITHXOWTD-UHFFFAOYSA-N	-1	1	276.380	2.058	50	0		CEAAMM
Cc1cc(CN(C)[C@@H](C(=O)[O-])c2ccc(F)c(C)c2)n[nH]1	ZINC000063846268	362776797	/nfs/dbraw/zinc/77/67/97/362776797.db2.gz	CEJIQXNFFSGWCF-CQSZACIVSA-N	-1	1	291.326	2.423	50	0		CEAAMM
C[C@@H](c1c(F)cccc1F)N1CC[C@H](C(=O)[O-])C1	ZINC000086790300	179334631	/nfs/dbraw/zinc/33/46/31/179334631.db2.gz	YEWDYFDQSYUPJO-IUCAKERBSA-N	-1	1	255.264	2.432	50	0		CEAAMM
Cc1occc1C(=O)NCc1n[n-]c(=S)n1C(C)C	ZINC000066639500	362877193	/nfs/dbraw/zinc/87/71/93/362877193.db2.gz	HHVYALNBXCUYLD-UHFFFAOYSA-N	-1	1	280.353	2.353	50	0		CEAAMM
Cc1ccc([C@@H](C)NC(=O)c2nc3ccccc3c(=O)[n-]2)o1	ZINC000074272577	363319203	/nfs/dbraw/zinc/31/92/03/363319203.db2.gz	KPIKDVPLGHRTLU-SNVBAGLBSA-N	-1	1	297.314	2.316	50	0		CEAAMM
O=C(Nc1ccccn1)c1cc2ccc([O-])cc2oc1=O	ZINC000000273909	361155231	/nfs/dbraw/zinc/15/52/31/361155231.db2.gz	ZPTJLUOPTXPMNC-UHFFFAOYSA-N	-1	1	282.255	2.146	50	0		CEAAMM
CCc1cc(=O)[n-]c(Nc2cc(C)ccc2OC)n1	ZINC000011991407	361372121	/nfs/dbraw/zinc/37/21/21/361372121.db2.gz	BLPIMIOIDLAOLR-UHFFFAOYSA-N	-1	1	259.309	2.393	50	0		CEAAMM
Cc1ccccc1OCCCSc1nc(N)cc(=O)[n-]1	ZINC000016489545	361489462	/nfs/dbraw/zinc/48/94/62/361489462.db2.gz	VYYWOBGHMKZXDZ-UHFFFAOYSA-N	-1	1	291.376	2.222	50	0		CEAAMM
Cc1cc(=O)[n-]c(SCc2cn3ccsc3n2)n1	ZINC000018066837	361514299	/nfs/dbraw/zinc/51/42/99/361514299.db2.gz	OBSGOSTVBSAABX-UHFFFAOYSA-N	-1	1	278.362	2.080	50	0		CEAAMM
CCO[N-]C(=O)[C@H]1CC(=O)N(c2cccc(C(C)C)c2)C1	ZINC000023021296	361592355	/nfs/dbraw/zinc/59/23/55/361592355.db2.gz	FBWQZRDKGNRFQO-ZDUSSCGKSA-N	-1	1	290.363	2.231	50	0		CEAAMM
CC[C@@H](NC(=O)c1ccc([O-])cn1)c1ccncc1	ZINC000214975647	370171329	/nfs/dbraw/zinc/17/13/29/370171329.db2.gz	UMSVFMDQLJHOGQ-GFCCVEGCSA-N	-1	1	257.293	2.063	50	0		CEAAMM
Cc1ccccc1[C@H]1CN(CCC(=O)[O-])[C@H](C)CO1	ZINC000299739637	394451704	/nfs/dbraw/zinc/45/17/04/394451704.db2.gz	QUJPCAHGEZYQIO-TZMCWYRMSA-N	-1	1	263.337	2.232	50	0		CEAAMM
Cc1ccc(S(=O)(=O)c2c[nH]c(=S)nc2[O-])c(C)c1	ZINC000057509353	292186951	/nfs/dbraw/zinc/18/69/51/292186951.db2.gz	LGBPAUKTCILTHU-UHFFFAOYSA-N	-1	1	296.373	2.294	50	0		CEAAMM
Cc1ccc(S(=O)(=O)c2c[nH]c(=S)[n-]c2=O)c(C)c1	ZINC000057509353	292186954	/nfs/dbraw/zinc/18/69/54/292186954.db2.gz	LGBPAUKTCILTHU-UHFFFAOYSA-N	-1	1	296.373	2.294	50	0		CEAAMM
Cc1cc(=O)[n-]c(SC[C@@H]2COC3(CCCCC3)O2)n1	ZINC000004938668	170042858	/nfs/dbraw/zinc/04/28/58/170042858.db2.gz	LSFSUDIJYQUGTQ-NSHDSACASA-N	-1	1	296.392	2.246	50	0		CEAAMM
CCCOc1ccc(-c2n[nH]c(SCC(=O)[O-])n2)cc1	ZINC000006361885	170195036	/nfs/dbraw/zinc/19/50/36/170195036.db2.gz	HCIGMFLGOKEMSN-UHFFFAOYSA-N	-1	1	293.348	2.437	50	0		CEAAMM
O=C(c1ccc([O-])cn1)N1C[C@H]2[C@@H](C1)C1CCC2CC1	ZINC000071747923	176259003	/nfs/dbraw/zinc/25/90/03/176259003.db2.gz	RNBLMZQVPXGCIR-QCBYLEPLSA-N	-1	1	272.348	2.295	50	0		CEAAMM
O=C([O-])[C@@H]1CCC[N@H+]1Cc1cnn(-c2ccc(F)cc2)c1	ZINC000218948521	262348126	/nfs/dbraw/zinc/34/81/26/262348126.db2.gz	KVAWUWNMWKZWGP-AWEZNQCLSA-N	-1	1	289.310	2.060	50	0		CEAAMM
CC(C)N1c2ccccc2C(=C2SC(=O)[N-]C2=O)C1=O	ZINC000008433544	275652719	/nfs/dbraw/zinc/65/27/19/275652719.db2.gz	ZEZNCSDFOHUILA-KHPPLWFESA-N	-1	1	288.328	2.136	50	0		CEAAMM
COc1cc2c(cc1C=C1SC(=O)[N-]C1=O)O[C@@H](C)C2	ZINC000008772466	277391141	/nfs/dbraw/zinc/39/11/41/277391141.db2.gz	ZNRWVGTWZUQCTM-WSPCNJHZSA-N	-1	1	291.328	2.343	50	0		CEAAMM
C[C@@H]1Cc2ccccc2CN1C(=O)c1ncccc1[O-]	ZINC000189880633	321779041	/nfs/dbraw/zinc/77/90/41/321779041.db2.gz	KLBJVSMKYRESKK-LLVKDONJSA-N	-1	1	268.316	2.374	50	0		CEAAMM
Cc1cccnc1[C@@H](NC(=O)c1ccc([O-])cn1)C1CC1	ZINC000534658157	328341277	/nfs/dbraw/zinc/34/12/77/328341277.db2.gz	SMFHRFZUMCPDKC-HNNXBMFYSA-N	-1	1	283.331	2.372	50	0		CEAAMM
O=C([O-])CC[N@H+]1CCc2onc(-c3cccc(F)c3)c2C1	ZINC000067833366	634465036	/nfs/dbraw/zinc/46/50/36/634465036.db2.gz	BXEVHWUALIQLQP-UHFFFAOYSA-N	-1	1	290.294	2.314	50	0		CEAAMM
Cc1cccc([C@@H](CC(=O)[O-])NC(=O)C(F)(F)F)c1	ZINC000004072838	230368587	/nfs/dbraw/zinc/36/85/87/230368587.db2.gz	MLBPCEJDOPFPJU-SECBINFHSA-N	-1	1	275.226	2.189	50	0		CEAAMM
N=C1c2ccccc2CN1c1ccc(O)c(C(=O)[O-])c1	ZINC000004031637	343353130	/nfs/dbraw/zinc/35/31/30/343353130.db2.gz	QJMXGKLPVFBCPW-UHFFFAOYSA-N	-1	1	268.272	2.436	50	0		CEAAMM
C[C@@H](CNC(=O)c1c([O-])cccc1Cl)C[C@H](C)O	ZINC000075092933	343837139	/nfs/dbraw/zinc/83/71/39/343837139.db2.gz	BUKCEPFEKHAQAK-BDAKNGLRSA-N	-1	1	271.744	2.182	50	0		CEAAMM
C[C@@H]1C[C@H]1C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1	ZINC000057554157	362585753	/nfs/dbraw/zinc/58/57/53/362585753.db2.gz	OQABZHWKQVORCH-IAQYHMDHSA-N	-1	1	287.359	2.470	50	0		CEAAMM
O=C(Nc1c([O-])cccc1F)[C@H](O)c1ccccc1	ZINC000092551579	539826984	/nfs/dbraw/zinc/82/69/84/539826984.db2.gz	YJSCMVADLOUUIS-CYBMUJFWSA-N	-1	1	261.252	2.203	50	0		CEAAMM
CN(C)c1ccc(C(=O)c2ccccc2C(=O)[O-])c(O)c1	ZINC000000267019	361154577	/nfs/dbraw/zinc/15/45/77/361154577.db2.gz	GLELQLHCSRTFFD-UHFFFAOYSA-N	-1	1	285.299	2.387	50	0		CEAAMM
Cc1ccc(CNC(=O)c2nc3ccccc3c(=O)[n-]2)cc1	ZINC000012874356	361405221	/nfs/dbraw/zinc/40/52/21/361405221.db2.gz	BYANWYJQHWLJFF-UHFFFAOYSA-N	-1	1	293.326	2.162	50	0		CEAAMM
O=C(NCC1CCCCC1)c1nc2ccccc2c(=O)[n-]1	ZINC000012873209	361405249	/nfs/dbraw/zinc/40/52/49/361405249.db2.gz	WOXTYYMUFPCWEW-UHFFFAOYSA-N	-1	1	285.347	2.233	50	0		CEAAMM
O=C(c1cc(Br)ccc1[O-])N1CCC1	ZINC000012978773	361412977	/nfs/dbraw/zinc/41/29/77/361412977.db2.gz	HCINWWONSUHGPE-UHFFFAOYSA-N	-1	1	256.099	2.001	50	0		CEAAMM
CCOc1ccc(C=C2SC(=O)[N-]C2=O)cc1OC	ZINC000013644743	361434360	/nfs/dbraw/zinc/43/43/60/361434360.db2.gz	MAMNNWYEJUTSDJ-XFFZJAGNSA-N	-1	1	279.317	2.418	50	0		CEAAMM
CCn1c([S-])nnc1-c1c(C)nc2sccn21	ZINC000026422075	361639994	/nfs/dbraw/zinc/63/99/94/361639994.db2.gz	RSZMNOKCSUDHLP-UHFFFAOYSA-N	-1	1	265.367	2.271	50	0		CEAAMM
COCCN(C)[C@@H](C(=O)[O-])c1ccc(C)c(C)c1	ZINC000095366399	364348006	/nfs/dbraw/zinc/34/80/06/364348006.db2.gz	ZJZZCWDAMWWLJC-CYBMUJFWSA-N	-1	1	251.326	2.007	50	0		CEAAMM
CCc1[nH]nc([N-]S(=O)(=O)Cc2ccc(F)cc2)c1C	ZINC000097103910	364451816	/nfs/dbraw/zinc/45/18/16/364451816.db2.gz	JTNVYXVGWRZSQW-UHFFFAOYSA-N	-1	1	297.355	2.362	50	0		CEAAMM
O=C([O-])[C@@H](c1n[nH]c(C2CCOCC2)n1)C1CCCCC1	ZINC000097568983	364510295	/nfs/dbraw/zinc/51/02/95/364510295.db2.gz	GTZWYJYHXUTLPI-GFCCVEGCSA-N	-1	1	293.367	2.447	50	0		CEAAMM
CCCc1cc(=O)[n-]c(SCc2ncccn2)n1	ZINC000191485439	369717630	/nfs/dbraw/zinc/71/76/30/369717630.db2.gz	MUAXWXGLGGKQQP-UHFFFAOYSA-N	-1	1	262.338	2.217	50	0		CEAAMM
COCCN1C[C@@H](Cc2ccc([O-])c(Cl)c2)CC1=O	ZINC000223257671	370264284	/nfs/dbraw/zinc/26/42/84/370264284.db2.gz	VYIYHPQNRGFCCZ-NSHDSACASA-N	-1	1	283.755	2.083	50	0		CEAAMM
Cn1[n-]c(=O)c2cc(NC(=O)c3ccoc3)ccc21	ZINC000227164880	370362580	/nfs/dbraw/zinc/36/25/80/370362580.db2.gz	VKMCPXUWXCUTBA-UHFFFAOYSA-N	-1	1	257.249	2.124	50	0		CEAAMM
C[C@@H]1C[C@H]1c1[n-]n(C)c(=N)c1-c1ccc2c(c1)OCO2	ZINC000242273816	189905648	/nfs/dbraw/zinc/90/56/48/189905648.db2.gz	YGAGBPXQNKOMIJ-PSASIEDQSA-N	-1	1	271.320	2.352	50	0		CEAAMM
O=C([O-])c1c[nH]c2c(cccc2C(F)(F)F)c1=O	ZINC000005117246	304218526	/nfs/dbraw/zinc/21/85/26/304218526.db2.gz	GQZVPBYGGIQINZ-UHFFFAOYSA-N	-1	1	257.167	2.245	50	0		CEAAMM
O=C(O)c1c[n-]c2c(cccc2C(F)(F)F)c1=O	ZINC000005117246	304218527	/nfs/dbraw/zinc/21/85/27/304218527.db2.gz	GQZVPBYGGIQINZ-UHFFFAOYSA-N	-1	1	257.167	2.245	50	0		CEAAMM
CCn1c(CC(=O)Nc2ccc(OC)cc2)n[n-]c1=S	ZINC000004739106	170008196	/nfs/dbraw/zinc/00/81/96/170008196.db2.gz	YFENXWLDRIHNNV-UHFFFAOYSA-N	-1	1	292.364	2.150	50	0		CEAAMM
CCn1c(CNC(=O)c2cccc(C)c2)n[n-]c1=S	ZINC000006519953	170208908	/nfs/dbraw/zinc/20/89/08/170208908.db2.gz	DNAAJHKLLFXEOH-UHFFFAOYSA-N	-1	1	276.365	2.199	50	0		CEAAMM
O=C(Nc1ccccc1)[C@H](Cc1cccs1)c1nn[n-]n1	ZINC000006557670	170213294	/nfs/dbraw/zinc/21/32/94/170213294.db2.gz	JDTAONBRPDCJQF-GFCCVEGCSA-N	-1	1	299.359	2.226	50	0		CEAAMM
Cc1nc2nc[nH]c2c(SCCCCC(=O)[O-])n1	ZINC000006694453	170226736	/nfs/dbraw/zinc/22/67/36/170226736.db2.gz	GBAGPJYKAUYTMU-UHFFFAOYSA-N	-1	1	266.326	2.008	50	0		CEAAMM
Cc1ccccc1OCCSc1nccc(=O)[n-]1	ZINC000009291155	170370441	/nfs/dbraw/zinc/37/04/41/170370441.db2.gz	GTHYEVCPQCGHRB-UHFFFAOYSA-N	-1	1	262.334	2.249	50	0		CEAAMM
CCCc1[n-][nH]c(=O)c1[C@@H]1OC(=O)c2ccccc21	ZINC000009355658	170373804	/nfs/dbraw/zinc/37/38/04/170373804.db2.gz	GPPHBSUJJNHWHS-GFCCVEGCSA-N	-1	1	258.277	2.328	50	0		CEAAMM
O=c1[n-]c(SCc2nc3ccccc3[nH]2)nc2[nH]cnc21	ZINC000021807852	171328351	/nfs/dbraw/zinc/32/83/51/171328351.db2.gz	DOMRWUXWCBYWCZ-UHFFFAOYSA-N	-1	1	298.331	2.227	50	0		CEAAMM
Cc1c(N)cccc1[N-]S(=O)(=O)c1ccccc1	ZINC000022142057	171355651	/nfs/dbraw/zinc/35/56/51/171355651.db2.gz	KHZRFOLFCQIVLJ-UHFFFAOYSA-N	-1	1	262.334	2.378	50	0		CEAAMM
CN(C)c1ccc(NC(=O)c2ccccc2[O-])cn1	ZINC000022327079	171385070	/nfs/dbraw/zinc/38/50/70/171385070.db2.gz	PAPYTJBZJAUUIT-UHFFFAOYSA-N	-1	1	257.293	2.106	50	0		CEAAMM
O=C([O-])[C@@H]1CCCN(Cc2ccn(-c3ccccc3)n2)C1	ZINC000061641244	175651857	/nfs/dbraw/zinc/65/18/57/175651857.db2.gz	JJRXCPRERWIEID-CYBMUJFWSA-N	-1	1	285.347	2.169	50	0		CEAAMM
CCCCc1nnc([N-]C(=O)c2cc(C)on2)s1	ZINC000072109499	176317235	/nfs/dbraw/zinc/31/72/35/176317235.db2.gz	JNKXAUBBHDWFRZ-UHFFFAOYSA-N	-1	1	266.326	2.429	50	0		CEAAMM
COc1cc(C=C2SC(=O)[N-]C2=O)cc(OC)c1	ZINC000012577787	277366727	/nfs/dbraw/zinc/36/67/27/277366727.db2.gz	VRHTYBLWNKWMQB-YHYXMXQVSA-N	-1	1	265.290	2.028	50	0		CEAAMM
Nn1c(-c2ccc(C(F)(F)F)cc2)n[n-]c1=S	ZINC000006557425	279712857	/nfs/dbraw/zinc/71/28/57/279712857.db2.gz	URKJVFXBCOWGRG-UHFFFAOYSA-N	-1	1	260.244	2.340	50	0		CEAAMM
N=c1oc2cc([O-])ccc2cc1C(=O)N1CCCCC1	ZINC000004853024	295030357	/nfs/dbraw/zinc/03/03/57/295030357.db2.gz	NRAJSFJDWNONKF-UHFFFAOYSA-N	-1	1	272.304	2.244	50	0		CEAAMM
Cc1cccnc1[C@H](NC(=O)c1ccc([O-])cn1)C1CC1	ZINC000534658158	328341431	/nfs/dbraw/zinc/34/14/31/328341431.db2.gz	SMFHRFZUMCPDKC-OAHLLOKOSA-N	-1	1	283.331	2.372	50	0		CEAAMM
CC[C@H](NC(=O)c1ccc(C(F)(F)F)cc1)c1nn[n-]n1	ZINC000584906898	813604852	/nfs/dbraw/zinc/60/48/52/813604852.db2.gz	HHQUFAAOWRGRJI-VIFPVBQESA-N	-1	1	299.256	2.100	50	0		CEAAMM
COC(=O)c1nc2cc(Br)ccc2[n-]1	ZINC000066322819	362859476	/nfs/dbraw/zinc/85/94/76/362859476.db2.gz	NRTHYMUOIGVFMM-UHFFFAOYSA-N	-1	1	255.071	2.112	50	0		CEAAMM
COC(=O)c1nc2ccc(Br)cc2[n-]1	ZINC000066322819	362859482	/nfs/dbraw/zinc/85/94/82/362859482.db2.gz	NRTHYMUOIGVFMM-UHFFFAOYSA-N	-1	1	255.071	2.112	50	0		CEAAMM
CSC[C@@H]1CCCN1C(=O)c1cc(F)ccc1[O-]	ZINC000271520911	191189229	/nfs/dbraw/zinc/18/92/29/191189229.db2.gz	WRKMDFUJUSAWBW-JTQLQIEISA-N	-1	1	269.341	2.499	50	0		CEAAMM
C[C@H]1C[C@@H](C(=O)NC(C)(C)c2nn[n-]n2)CC(C)(C)C1	ZINC000357356158	291043945	/nfs/dbraw/zinc/04/39/45/291043945.db2.gz	OEKORNIHSGDDBC-VHSXEESVSA-N	-1	1	279.388	2.013	50	0		CEAAMM
O=C([O-])CC[C@@H]1CCCCN1C(=O)c1cccc(F)c1O	ZINC000221355342	304059642	/nfs/dbraw/zinc/05/96/42/304059642.db2.gz	DCERRFXHVBLSOU-JTQLQIEISA-N	-1	1	295.310	2.391	50	0		CEAAMM
Cn1c(C[C@H]2Sc3ccccc3NC2=O)n[n-]c1=S	ZINC000000169335	361138937	/nfs/dbraw/zinc/13/89/37/361138937.db2.gz	JCYXAMDLMAPPQP-SECBINFHSA-N	-1	1	292.389	2.133	50	0		CEAAMM
Cc1ccnc([N-]S(=O)(=O)Cc2ccccc2)c1	ZINC000000183579	361141518	/nfs/dbraw/zinc/14/15/18/361141518.db2.gz	FPWXPXBDWQXIFV-UHFFFAOYSA-N	-1	1	262.334	2.332	50	0		CEAAMM
O=C1[N-]C(=O)/C(=C\c2ccc(Cl)cc2Cl)N1	ZINC000000191339	361142929	/nfs/dbraw/zinc/14/29/29/361142929.db2.gz	KXXQLEFIYMXHAL-FPYGCLRLSA-N	-1	1	257.076	2.174	50	0		CEAAMM
O=C1[N-]C(=O)C(=Cc2cccn2-c2nccs2)S1	ZINC000001393552	361203483	/nfs/dbraw/zinc/20/34/83/361203483.db2.gz	DGJRGKPFQJITQS-VURMDHGXSA-N	-1	1	277.330	2.258	50	0		CEAAMM
O=C(COC(=O)c1ccccc1)c1ccc([O-])cc1O	ZINC000002565998	361240898	/nfs/dbraw/zinc/24/08/98/361240898.db2.gz	PNHSYFGFULSUDP-UHFFFAOYSA-N	-1	1	272.256	2.138	50	0		CEAAMM
COCCn1c(C)cc(C=C2SC(=O)[N-]C2=O)c1C	ZINC000004690992	361326874	/nfs/dbraw/zinc/32/68/74/361326874.db2.gz	KROMKQSQDXBCPO-XFFZJAGNSA-N	-1	1	280.349	2.075	50	0		CEAAMM
S=c1[n-]nc(N2CCCCC2)n1C[C@@H]1CCCO1	ZINC000012505163	361386889	/nfs/dbraw/zinc/38/68/89/361386889.db2.gz	IETOCPAEZACYLX-JTQLQIEISA-N	-1	1	268.386	2.110	50	0		CEAAMM
O=c1cc(O)nc(SCc2ccccc2F)[n-]1	ZINC000013881214	361443397	/nfs/dbraw/zinc/44/33/97/361443397.db2.gz	RSWGJORRGWSZLG-UHFFFAOYSA-N	-1	1	252.270	2.319	50	0		CEAAMM
Nc1cc(=O)[n-]c(SCCSc2ccccc2F)n1	ZINC000016046325	361483040	/nfs/dbraw/zinc/48/30/40/361483040.db2.gz	AMOUHVUMQAFSGO-UHFFFAOYSA-N	-1	1	297.380	2.376	50	0		CEAAMM
Cc1cccc(OCCCSc2nc(N)cc(=O)[n-]2)c1	ZINC000016527200	361490352	/nfs/dbraw/zinc/49/03/52/361490352.db2.gz	RFTVHEQZNBBDLV-UHFFFAOYSA-N	-1	1	291.376	2.222	50	0		CEAAMM
CCCc1cc(=O)[n-]c(SCc2cccnc2)n1	ZINC000018057673	361513616	/nfs/dbraw/zinc/51/36/16/361513616.db2.gz	IOHJYEMFLOFZFE-UHFFFAOYSA-N	-1	1	261.350	2.410	50	0		CEAAMM
O=C(N=c1[n-]sc2ccccc21)N1CCSCC1	ZINC000585119641	367180721	/nfs/dbraw/zinc/18/07/21/367180721.db2.gz	NWIWZBTUZPEQAO-UHFFFAOYSA-N	-1	1	279.390	2.299	50	0		CEAAMM
O=C(NCC[C@@H](O)c1ccccc1)c1ccc([O-])cc1F	ZINC000164242468	367281823	/nfs/dbraw/zinc/28/18/23/367281823.db2.gz	KLZZNFCOVQRQDX-OAHLLOKOSA-N	-1	1	289.306	2.385	50	0		CEAAMM
CC[C@@H](C(=O)[O-])N1CCO[C@@H](c2ccc(F)c(F)c2)C1	ZINC000249042607	371286717	/nfs/dbraw/zinc/28/67/17/371286717.db2.gz	ZROLMEVYKDIDBK-QWHCGFSZSA-N	-1	1	285.290	2.201	50	0		CEAAMM
O=C([O-])c1cc(F)cc2n[nH]c(Br)c21	ZINC000014983848	304225218	/nfs/dbraw/zinc/22/52/18/304225218.db2.gz	HVKZOBUDXONMCS-UHFFFAOYSA-N	-1	1	259.034	2.163	50	0		CEAAMM
O=c1cc(C(F)(F)F)nc(SC[C@H]2CCCO2)[n-]1	ZINC000096411936	394684016	/nfs/dbraw/zinc/68/40/16/394684016.db2.gz	SQTGAELYKMZBBE-ZCFIWIBFSA-N	-1	1	280.271	2.472	50	0		CEAAMM
Cc1n[nH]c(SC(=Cc2ccc(F)cc2)C(=O)[O-])n1	ZINC000006129862	170178926	/nfs/dbraw/zinc/17/89/26/170178926.db2.gz	VWIVLRNMNBWLGL-POHAHGRESA-N	-1	1	279.296	2.470	50	0		CEAAMM
Cc1nc(SC(=Cc2ccc(F)cc2)C(=O)[O-])n[nH]1	ZINC000006129862	170178927	/nfs/dbraw/zinc/17/89/27/170178927.db2.gz	VWIVLRNMNBWLGL-POHAHGRESA-N	-1	1	279.296	2.470	50	0		CEAAMM
O=C(COC(=O)C1CCCCC1)[N-]C(=O)c1ccccc1	ZINC000006376851	170195961	/nfs/dbraw/zinc/19/59/61/170195961.db2.gz	KWKHAGKHKQJUFB-UHFFFAOYSA-N	-1	1	289.331	2.067	50	0		CEAAMM
O=c1[n-]c(=S)c2c(n1Cc1cccnc1)CCCC2	ZINC000008737620	170352899	/nfs/dbraw/zinc/35/28/99/170352899.db2.gz	JJXVJFKKJDJFFN-UHFFFAOYSA-N	-1	1	273.361	2.228	50	0		CEAAMM
O=C1c2c(O)cc([O-])cc2OC[C@H]1Cc1ccc(O)cc1	ZINC000013327491	170544952	/nfs/dbraw/zinc/54/49/52/170544952.db2.gz	FIASLUPJXGTCKM-SNVBAGLBSA-N	-1	1	286.283	2.237	50	0	endogenous,in-man	CEAAMM
CC(C)(C)OC(=O)N([O-])CS(=O)(=O)c1ccccc1	ZINC000044137831	175145970	/nfs/dbraw/zinc/14/59/70/175145970.db2.gz	DMLPXBUBDIDOGJ-UHFFFAOYSA-N	-1	1	287.337	2.044	50	0		CEAAMM
Cc1cc(F)cc2c(=O)c(C(=O)N3CCCC3)c[n-]c12	ZINC000095401372	301306190	/nfs/dbraw/zinc/30/61/90/301306190.db2.gz	WHUWJKNMLKWBAN-UHFFFAOYSA-N	-1	1	274.295	2.212	50	0		CEAAMM
O=C(NCC1(c2ccccc2F)CCCC1)c1cnn[nH]1	ZINC000534648559	328343658	/nfs/dbraw/zinc/34/36/58/328343658.db2.gz	DRXDRSOJAVWBIA-UHFFFAOYSA-N	-1	1	288.326	2.186	50	0		CEAAMM
O=C([O-])c1ccnc2c1CN(Cc1ccccc1)CC2	ZINC000169794912	631266258	/nfs/dbraw/zinc/26/62/58/631266258.db2.gz	QLHPRHAWIJOBAL-UHFFFAOYSA-N	-1	1	268.316	2.338	50	0		CEAAMM
O=C([O-])COc1ccccc1CN1CC(c2ccncc2)C1	ZINC000072165677	813265749	/nfs/dbraw/zinc/26/57/49/813265749.db2.gz	SWWJSZANHKBUGL-UHFFFAOYSA-N	-1	1	298.342	2.144	50	0		CEAAMM
Cc1cc([C@@H]2CCCN2C(=O)c2ncccc2[O-])on1	ZINC000222860712	230398798	/nfs/dbraw/zinc/39/87/98/230398798.db2.gz	QHZCCHDGKFIEFT-JTQLQIEISA-N	-1	1	273.292	2.061	50	0		CEAAMM
Cc1cccc(C)c1NC(=O)CN(CCC(=O)[O-])C1CC1	ZINC000037594186	361908265	/nfs/dbraw/zinc/90/82/65/361908265.db2.gz	JKXIFLSWQOMBOP-UHFFFAOYSA-N	-1	1	290.363	2.181	50	0		CEAAMM
CO[C@@H](C(=O)Nc1ccncc1[O-])c1ccccc1	ZINC000135395159	344381506	/nfs/dbraw/zinc/38/15/06/344381506.db2.gz	QMRFQPFPJYPLSG-CYBMUJFWSA-N	-1	1	258.277	2.113	50	0		CEAAMM
COCC1(CNC(=O)c2ccc([O-])c(F)c2)CCC1	ZINC000584897291	345002101	/nfs/dbraw/zinc/00/21/01/345002101.db2.gz	JXXSQUGVBHMQDN-UHFFFAOYSA-N	-1	1	267.300	2.078	50	0		CEAAMM
O=C([O-])[C@H]1CCN(Cc2cc(Cl)c3c(c2)OCCO3)C1	ZINC000062133798	362710433	/nfs/dbraw/zinc/71/04/33/362710433.db2.gz	MZKQYNAIDOLKLA-JTQLQIEISA-N	-1	1	297.738	2.018	50	0		CEAAMM
CN(CC(=O)c1ccc([O-])cc1)Cc1cccc2c1OCO2	ZINC000065507594	362829273	/nfs/dbraw/zinc/82/92/73/362829273.db2.gz	PZRAERRPJYOXAM-UHFFFAOYSA-N	-1	1	299.326	2.436	50	0		CEAAMM
Cc1cccc(CNC(=O)c2nc3ccccc3c(=O)[n-]2)c1	ZINC000069419970	362966908	/nfs/dbraw/zinc/96/69/08/362966908.db2.gz	MQHZCHIVRBHOSC-UHFFFAOYSA-N	-1	1	293.326	2.162	50	0		CEAAMM
COC(=O)c1nn(-c2ccc(F)c(Cl)c2)cc1[O-]	ZINC000000091602	361125934	/nfs/dbraw/zinc/12/59/34/361125934.db2.gz	PLTKUXBHZWZHJQ-UHFFFAOYSA-N	-1	1	270.647	2.157	50	0		CEAAMM
CCOP1(=O)N(C(C)C)C(=O)[N-]C(=O)N1C(C)C	ZINC000000392320	361169008	/nfs/dbraw/zinc/16/90/08/361169008.db2.gz	WKBFPEKGPMJFGH-UHFFFAOYSA-N	-1	1	277.261	2.395	50	0		CEAAMM
CC(=O)c1ccc([O-])c(CSc2nncn2C)c1	ZINC000003287136	361271557	/nfs/dbraw/zinc/27/15/57/361271557.db2.gz	UROPAQUXBBRWSS-UHFFFAOYSA-N	-1	1	263.322	2.016	50	0		CEAAMM
O=C([O-])CCCCN1CCN(c2cc(F)ccc2F)CC1	ZINC000181587115	189301838	/nfs/dbraw/zinc/30/18/38/189301838.db2.gz	YQYBFVCDUVZVEV-UHFFFAOYSA-N	-1	1	298.333	2.342	50	0		CEAAMM
Nc1cc(=O)[n-]c(SC/C=C/c2ccccc2)n1	ZINC000015986271	361482198	/nfs/dbraw/zinc/48/21/98/361482198.db2.gz	WFYVTFACCADNKN-QPJJXVBHSA-N	-1	1	259.334	2.158	50	0	aggregator	CEAAMM
CCn1cc(S(=O)(=O)[N-]c2ccccc2F)c(C)n1	ZINC000017008950	361502468	/nfs/dbraw/zinc/50/24/68/361502468.db2.gz	UTXPWLPFTFTTBC-UHFFFAOYSA-N	-1	1	283.328	2.151	50	0		CEAAMM
Cc1cc(C)cc(NC(=O)CN2CCC(C(=O)[O-])CC2)c1	ZINC000019774929	361552265	/nfs/dbraw/zinc/55/22/65/361552265.db2.gz	GXDPAGASIFOFIY-UHFFFAOYSA-N	-1	1	290.363	2.039	50	0		CEAAMM
CC[C@@H](C)NC(=O)c1cc2ccc([O-])cc2oc1=O	ZINC000031773415	361718680	/nfs/dbraw/zinc/71/86/80/361718680.db2.gz	YISNJLSAOHJKKZ-MRVPVSSYSA-N	-1	1	261.277	2.027	50	0		CEAAMM
CN(Cc1ccccc1)Cc1ccc(C(=O)[O-])cn1	ZINC000089064927	363926593	/nfs/dbraw/zinc/92/65/93/363926593.db2.gz	SYJSLRGTZCPHLB-UHFFFAOYSA-N	-1	1	256.305	2.412	50	0		CEAAMM
O=C([O-])CC[C@@H]1CCCN(C(=O)c2cc(C3CC3)[nH]n2)C1	ZINC000237968081	370763171	/nfs/dbraw/zinc/76/31/71/370763171.db2.gz	UVCODYOCSRZELZ-JTQLQIEISA-N	-1	1	291.351	2.004	50	0		CEAAMM
Cc1nccc(NC(=O)c2cncc([O-])c2)c1Cl	ZINC000097238770	364486278	/nfs/dbraw/zinc/48/62/78/364486278.db2.gz	POWYSRJUESDLTA-UHFFFAOYSA-N	-1	1	263.684	2.396	50	0		CEAAMM
O=C1[N-]C(=S)NC1=Cc1ccc(Cl)cc1Cl	ZINC000000055210	284866541	/nfs/dbraw/zinc/86/65/41/284866541.db2.gz	XAMWGBWREMYZKV-FPYGCLRLSA-N	-1	1	273.144	2.339	50	0		CEAAMM
Cc1ccc2oc(Nc3nc(C)cc(=O)[n-]3)nc2c1	ZINC000008662597	394460517	/nfs/dbraw/zinc/46/05/17/394460517.db2.gz	XQYWTCZOXZFLPS-UHFFFAOYSA-N	-1	1	256.265	2.272	50	0		CEAAMM
CC(C)c1noc(CCNC(=O)c2cc(F)ccc2[O-])n1	ZINC000080027061	394633834	/nfs/dbraw/zinc/63/38/34/394633834.db2.gz	MGPBAGPWDHACFX-UHFFFAOYSA-N	-1	1	293.298	2.010	50	0		CEAAMM
Cc1ccc(-n2c(C)cc3c(c2=O)C(=S)[N-]C3=O)cc1C	ZINC000006054484	170172714	/nfs/dbraw/zinc/17/27/14/170172714.db2.gz	RXXOGPZIRZLHAI-UHFFFAOYSA-N	-1	1	298.367	2.182	50	0		CEAAMM
O=C(Cc1cccc2ccccc21)Nn1cn[n-]c1=S	ZINC000009647732	170383611	/nfs/dbraw/zinc/38/36/11/170383611.db2.gz	QFWQWPDYLJRFAR-UHFFFAOYSA-N	-1	1	284.344	2.407	50	0		CEAAMM
Nc1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1	ZINC000022173098	171368714	/nfs/dbraw/zinc/36/87/14/171368714.db2.gz	GEAAWZUJFWTHQJ-UHFFFAOYSA-N	-1	1	266.297	2.209	50	0		CEAAMM
CCCc1cc(=O)[n-]c(S[C@H]2CCCCC2=O)n1	ZINC000035182855	172036924	/nfs/dbraw/zinc/03/69/24/172036924.db2.gz	QSCRRXYYLOWSOX-NSHDSACASA-N	-1	1	266.366	2.326	50	0		CEAAMM
O=C1N[C@H](c2ccc([O-])c(Cl)c2)N2CCCC[C@H]12	ZINC000076065151	280299670	/nfs/dbraw/zinc/29/96/70/280299670.db2.gz	CGLOJCFKEKCGHN-PWSUYJOCSA-N	-1	1	266.728	2.029	50	0		CEAAMM
CCn1nc(C)c([C@H](C)NC(=O)c2ncccc2[O-])c1C	ZINC000221399810	500759742	/nfs/dbraw/zinc/75/97/42/500759742.db2.gz	PAOGFGWMBNOZQD-VIFPVBQESA-N	-1	1	288.351	2.111	50	0		CEAAMM
CCOc1ccc(/C=C2\NC(=S)[N-]C2=O)cc1Cl	ZINC000033349156	361777586	/nfs/dbraw/zinc/77/75/86/361777586.db2.gz	IFUSVTCZORPVLU-TWGQIWQCSA-N	-1	1	282.752	2.084	50	0		CEAAMM
Cc1nc2sc3c(c2c2n[n-]c(=S)n21)CCC3	ZINC000004071415	282138568	/nfs/dbraw/zinc/13/85/68/282138568.db2.gz	BFWYLFLZQGJRNZ-UHFFFAOYSA-N	-1	1	262.363	2.425	50	0		CEAAMM
O=c1[n-]c(CNc2ccc(F)cc2)nn1Cc1ccccc1	ZINC000036559152	361847757	/nfs/dbraw/zinc/84/77/57/361847757.db2.gz	VPDWNSLRGCNWGC-UHFFFAOYSA-N	-1	1	298.321	2.371	50	0		CEAAMM
CO[C@H]1CCCC[C@@H]1NC(=O)c1c([O-])cccc1F	ZINC000126540019	187246514	/nfs/dbraw/zinc/24/65/14/187246514.db2.gz	FQKNMTRPGOLCRP-JQWIXIFHSA-N	-1	1	267.300	2.219	50	0		CEAAMM
CC[C@H](C)C[C@@H](NC(=O)c1ccc([O-])c(F)c1)C(=O)OC	ZINC000585089807	539317002	/nfs/dbraw/zinc/31/70/02/539317002.db2.gz	FKSOZOMQLLZSTE-JOYOIKCWSA-N	-1	1	297.326	2.239	50	0		CEAAMM
CCC([O-])=C1C(=O)CC(C)(C)[C@H](c2cc(C)no2)C1=O	ZINC000102785154	344251679	/nfs/dbraw/zinc/25/16/79/344251679.db2.gz	YNZPZAVFSMVKPA-QWHCGFSZSA-N	-1	1	277.320	2.230	50	0		CEAAMM
CCC(=O)C1=C([O-])CC(C)(C)[C@H](c2cc(C)no2)C1=O	ZINC000102785154	344251681	/nfs/dbraw/zinc/25/16/81/344251681.db2.gz	YNZPZAVFSMVKPA-QWHCGFSZSA-N	-1	1	277.320	2.230	50	0		CEAAMM
O=C([N-]c1nnc(COc2ccccc2)o1)c1ccco1	ZINC000061973981	362700416	/nfs/dbraw/zinc/70/04/16/362700416.db2.gz	KPNZZKSSLFKSEV-UHFFFAOYSA-N	-1	1	285.259	2.494	50	0		CEAAMM
CC(C)Oc1c([O-])n(-c2ccccc2)ncc1=S	ZINC000104973167	186036865	/nfs/dbraw/zinc/03/68/65/186036865.db2.gz	XUTUHLSYOTVJQU-UHFFFAOYSA-N	-1	1	262.334	2.308	50	0		CEAAMM
CCC[C@@H](NC(=O)c1cccc(C)c1Cl)c1nn[n-]n1	ZINC000123130497	187072992	/nfs/dbraw/zinc/07/29/92/187072992.db2.gz	RBKALWUGZMKFOP-SNVBAGLBSA-N	-1	1	293.758	2.433	50	0		CEAAMM
COC(=O)C[C@H](c1ccsc1)c1c(C)[n-][nH]c1=O	ZINC000079491316	363608964	/nfs/dbraw/zinc/60/89/64/363608964.db2.gz	VAFRGWLWZORIKA-SECBINFHSA-N	-1	1	266.322	2.180	50	0		CEAAMM
COc1cc(S(=O)(=O)[N-]c2ccncc2)ccc1F	ZINC000000528125	361184348	/nfs/dbraw/zinc/18/43/48/361184348.db2.gz	SVMJGTPCPPSBGO-UHFFFAOYSA-N	-1	1	282.296	2.030	50	0		CEAAMM
Cn1cccc1C(=O)OCc1cc(=O)oc2cc([O-])ccc12	ZINC000003351910	361276217	/nfs/dbraw/zinc/27/62/17/361276217.db2.gz	SNTQOLHYBZJGII-UHFFFAOYSA-N	-1	1	299.282	2.194	50	0		CEAAMM
O=Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1	ZINC000004282460	361308843	/nfs/dbraw/zinc/30/88/43/361308843.db2.gz	XYNPRCCUVAUTHD-UHFFFAOYSA-N	-1	1	261.302	2.300	50	0		CEAAMM
O=c1c2ccccc2[n-]c(=S)n1CCc1cnc[nH]1	ZINC000018088203	361513981	/nfs/dbraw/zinc/51/39/81/361513981.db2.gz	YHXXLYGNNYTJAF-UHFFFAOYSA-N	-1	1	272.333	2.025	50	0		CEAAMM
CC(C)C(=O)Nc1nn2c([n-]1)nc(-c1ccccc1)cc2=O	ZINC000018221970	361516318	/nfs/dbraw/zinc/51/63/18/361516318.db2.gz	OKJZJZDSGFZPOL-UHFFFAOYSA-N	-1	1	297.318	2.091	50	0		CEAAMM
[O-]c1cc(Cc2ccccc2)cnc1CN1CCOCC1	ZINC000019300778	361526814	/nfs/dbraw/zinc/52/68/14/361526814.db2.gz	TTWJMTDJYIBJDS-UHFFFAOYSA-N	-1	1	284.359	2.210	50	0		CEAAMM
COc1ccc(C(=O)Nc2cccc(C)n2)c([O-])c1	ZINC000019839167	361559468	/nfs/dbraw/zinc/55/94/68/361559468.db2.gz	VJUKXFAACPIOOA-UHFFFAOYSA-N	-1	1	258.277	2.357	50	0		CEAAMM
Cc1noc(C)c1CC(=O)[N-]OCc1ccccc1	ZINC000025038409	361618583	/nfs/dbraw/zinc/61/85/83/361618583.db2.gz	NGBYSTPTLXHOPD-UHFFFAOYSA-N	-1	1	260.293	2.082	50	0		CEAAMM
CCC[C@H](NC(=O)c1cc2ccccc2o1)c1nn[n-]n1	ZINC000095287759	364342052	/nfs/dbraw/zinc/34/20/52/364342052.db2.gz	IFNIREIELAEBKZ-JTQLQIEISA-N	-1	1	285.307	2.217	50	0		CEAAMM
Cn1ccnc1CN1CCC[C@@H](c2cccc(C(=O)[O-])c2)C1	ZINC000095381281	364352686	/nfs/dbraw/zinc/35/26/86/364352686.db2.gz	KKFXZBBVNIWMKZ-OAHLLOKOSA-N	-1	1	299.374	2.498	50	0		CEAAMM
COCCN(C)[C@@H](C(=O)[O-])c1cc(C)ccc1C	ZINC000095359590	364344760	/nfs/dbraw/zinc/34/47/60/364344760.db2.gz	IAAJKZQYBGDCPU-CYBMUJFWSA-N	-1	1	251.326	2.007	50	0		CEAAMM
C[C@H](NC(=O)c1cnc(C2CC2)[n-]c1=O)C1=CCCCC1	ZINC000097346797	364491910	/nfs/dbraw/zinc/49/19/10/364491910.db2.gz	XJYIQJCNQJJNKF-JTQLQIEISA-N	-1	1	287.363	2.266	50	0		CEAAMM
O=C(NCC(F)(F)C(F)F)c1ccc([O-])cc1F	ZINC000236626508	370598628	/nfs/dbraw/zinc/59/86/28/370598628.db2.gz	RCGANONPTQOPOO-UHFFFAOYSA-N	-1	1	269.169	2.162	50	0		CEAAMM
Cc1csc(C(C)(C)NC(=O)c2cncc([O-])c2)n1	ZINC000279409031	374865641	/nfs/dbraw/zinc/86/56/41/374865641.db2.gz	KHHGIHLTHUBNDW-UHFFFAOYSA-N	-1	1	277.349	2.217	50	0		CEAAMM
CC[C@@H]1CN(CCC(=O)[O-])CC[N@H+]1Cc1ccccc1	ZINC000262367089	190054326	/nfs/dbraw/zinc/05/43/26/190054326.db2.gz	KOGOIJQSWZYWBP-OAHLLOKOSA-N	-1	1	276.380	2.058	50	0		CEAAMM
Cc1noc(C)c1S(=O)(=O)[N-]Cc1ccc(C)cc1	ZINC000004968805	170046910	/nfs/dbraw/zinc/04/69/10/170046910.db2.gz	NXGAHCRRCUUINR-UHFFFAOYSA-N	-1	1	280.349	2.078	50	0		CEAAMM
COc1cc(C)c(C=C2SC(=O)[N-]C2=O)cc1OC	ZINC000004997965	170052315	/nfs/dbraw/zinc/05/23/15/170052315.db2.gz	VJQOYIDQLZJSHC-IZZDOVSWSA-N	-1	1	279.317	2.336	50	0		CEAAMM
Cc1n[n-]c(=S)n1NC(=O)COc1ccc(Cl)cc1	ZINC000008724681	170349650	/nfs/dbraw/zinc/34/96/50/170349650.db2.gz	LSDYMEVITSWXHD-UHFFFAOYSA-N	-1	1	298.755	2.052	50	0		CEAAMM
COc1ccc2ccccc2c1/C=C1\NC(=S)[N-]C1=O	ZINC000016134343	170688211	/nfs/dbraw/zinc/68/82/11/170688211.db2.gz	GZASWRRNTPSZRU-WQLSENKSSA-N	-1	1	284.340	2.194	50	0		CEAAMM
CC(C)(C)c1ncc(C(=O)NCC2CCCCC2)c(=O)[n-]1	ZINC000077322327	177253040	/nfs/dbraw/zinc/25/30/40/177253040.db2.gz	ZGCXXHKAFUTLGO-UHFFFAOYSA-N	-1	1	291.395	2.378	50	0		CEAAMM
CCCCCNC(=O)Cc1c([O-])[nH]c2ccccc2c1=O	ZINC000004663825	260015920	/nfs/dbraw/zinc/01/59/20/260015920.db2.gz	LRRHNKUHMDOBBY-UHFFFAOYSA-N	-1	1	288.347	2.083	50	0		CEAAMM
C[C@@H]1CN(CCCC(=O)[O-])C[C@H](c2ccccc2)O1	ZINC000116371687	288157537	/nfs/dbraw/zinc/15/75/37/288157537.db2.gz	JXYXKBYZMBLAJS-TZMCWYRMSA-N	-1	1	263.337	2.313	50	0		CEAAMM
Cc1cc(C(=O)[N-]c2nnc(-c3ccc(F)cc3)o2)no1	ZINC000009204549	280375269	/nfs/dbraw/zinc/37/52/69/280375269.db2.gz	LDHFPOAGVCNFDC-UHFFFAOYSA-N	-1	1	288.238	2.424	50	0		CEAAMM
O=C([O-])c1ccc(-c2ccc3[nH]c(CO)nc3c2)s1	ZINC000534669142	328346734	/nfs/dbraw/zinc/34/67/34/328346734.db2.gz	XADLSAZTOJEYFP-UHFFFAOYSA-N	-1	1	274.301	2.482	50	0		CEAAMM
O=C([N-]c1nncs1)c1noc2c1CCCCC2	ZINC000036359401	518201276	/nfs/dbraw/zinc/20/12/76/518201276.db2.gz	GAIOWOABANLTRQ-UHFFFAOYSA-N	-1	1	264.310	2.047	50	0		CEAAMM
Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@@H]1C=CCCC1	ZINC000096466480	534876335	/nfs/dbraw/zinc/87/63/35/534876335.db2.gz	CDGWYXIHMWNOKO-LLVKDONJSA-N	-1	1	275.352	2.040	50	0		CEAAMM
Cn1ccnc1CN[C@H](c1ccccc1)C(C)(C)C(=O)[O-]	ZINC000833058992	604629417	/nfs/dbraw/zinc/62/94/17/604629417.db2.gz	SVNZZYUKWXUOGT-CQSZACIVSA-N	-1	1	287.363	2.362	50	0		CEAAMM
Cc1cc(=O)[n-]c(NN=Cc2ccccc2Cl)n1	ZINC000013152269	625674637	/nfs/dbraw/zinc/67/46/37/625674637.db2.gz	FFBZGVRBIPBPHE-UHFFFAOYSA-N	-1	1	262.700	2.178	50	0		CEAAMM
COc1ncc(C)cc1NC(=O)c1ccc([O-])cc1F	ZINC000095993035	185059318	/nfs/dbraw/zinc/05/93/18/185059318.db2.gz	OJHRFPTUNCRHTG-UHFFFAOYSA-N	-1	1	276.267	2.496	50	0		CEAAMM
CC(C)C[C@H](CO)[N-]S(=O)(=O)c1cc2ccccc2o1	ZINC000097020665	185152412	/nfs/dbraw/zinc/15/24/12/185152412.db2.gz	YTOQINQGRIONTC-GFCCVEGCSA-N	-1	1	297.376	2.118	50	0		CEAAMM
Nc1cc(-c2cccs2)nn1-c1nc2c(c(=O)[n-]1)CCC2	ZINC000038575647	361986885	/nfs/dbraw/zinc/98/68/85/361986885.db2.gz	LPVBGKFZHVZDPP-UHFFFAOYSA-N	-1	1	299.359	2.167	50	0		CEAAMM
O=C(c1ccc([O-])cc1)C1CCN(C(=O)C2CC2)CC1	ZINC000055315323	362549116	/nfs/dbraw/zinc/54/91/16/362549116.db2.gz	GXPGXGWGXPNQON-UHFFFAOYSA-N	-1	1	273.332	2.224	50	0		CEAAMM
C[C@H]1CN(CCCC(=O)[O-])C[C@H](c2ccc(F)cc2)O1	ZINC000131463493	366055800	/nfs/dbraw/zinc/05/58/00/366055800.db2.gz	SRMYTZUXUIUHSF-SMDDNHRTSA-N	-1	1	281.327	2.452	50	0		CEAAMM
CCC[C@@H](NC(=O)c1ccc(Cl)cc1C)c1nn[n-]n1	ZINC000133212348	366205665	/nfs/dbraw/zinc/20/56/65/366205665.db2.gz	AXEJBUPGDPMXEJ-LLVKDONJSA-N	-1	1	293.758	2.433	50	0		CEAAMM
COC(=O)C[C@H](c1c(C)[n-][nH]c1=O)c1cccc(OC)c1	ZINC000079473543	363605140	/nfs/dbraw/zinc/60/51/40/363605140.db2.gz	MTYPBQIWFGFIMU-LBPRGKRZSA-N	-1	1	290.319	2.127	50	0		CEAAMM
Cc1cccc2nc(CSc3nccc(=O)[n-]3)cn21	ZINC000003293074	361272122	/nfs/dbraw/zinc/27/21/22/361272122.db2.gz	LJGSZFLHFLRVCV-UHFFFAOYSA-N	-1	1	272.333	2.018	50	0		CEAAMM
CCc1cc(S(=O)(=O)[N-]c2cccnc2)ccc1OC	ZINC000004411706	361316221	/nfs/dbraw/zinc/31/62/21/361316221.db2.gz	ULLXHYSCMBZNTL-UHFFFAOYSA-N	-1	1	292.360	2.453	50	0		CEAAMM
Cc1cc(C(=O)[N-]c2c3ccccc3oc2C(N)=O)on1	ZINC000012422414	361385329	/nfs/dbraw/zinc/38/53/29/361385329.db2.gz	RFZUKRBLXAQYDC-UHFFFAOYSA-N	-1	1	285.259	2.080	50	0		CEAAMM
Cc1cc(=O)[n-]c(S[C@@H](C)C(=O)NC2CCCCC2)n1	ZINC000018137625	361515163	/nfs/dbraw/zinc/51/51/63/361515163.db2.gz	HPAGZVDIYUPGPD-JTQLQIEISA-N	-1	1	295.408	2.008	50	0		CEAAMM
CCn1nc(C)c(NC(=O)c2ccc(O)cc2[O-])c1C	ZINC000097236739	364486393	/nfs/dbraw/zinc/48/63/93/364486393.db2.gz	DRKCTEYEJQKLQV-UHFFFAOYSA-N	-1	1	275.308	2.183	50	0		CEAAMM
CCc1nc(=NCc2ccc3nc[nH]c3c2)s[n-]1	ZINC000585117993	367180670	/nfs/dbraw/zinc/18/06/70/367180670.db2.gz	OBANMFNTFWJXNQ-UHFFFAOYSA-N	-1	1	259.338	2.011	50	0		CEAAMM
Cn1nccc1CSc1nc(C2CC2)cc(=O)[n-]1	ZINC000195083130	370103952	/nfs/dbraw/zinc/10/39/52/370103952.db2.gz	MOKMCIRWAHZXOP-UHFFFAOYSA-N	-1	1	262.338	2.085	50	0		CEAAMM
COCC1(CNC(=O)c2ccc([O-])cc2F)CCC1	ZINC000282317137	375454606	/nfs/dbraw/zinc/45/46/06/375454606.db2.gz	ULXAZROXOZDTSB-UHFFFAOYSA-N	-1	1	267.300	2.078	50	0		CEAAMM
Cn1ccnc1[C@H](NC(=O)c1ccc([O-])cc1F)C1CC1	ZINC000218916388	400309345	/nfs/dbraw/zinc/30/93/45/400309345.db2.gz	TVHSBPMPICJGLO-CYBMUJFWSA-N	-1	1	289.310	2.146	50	0		CEAAMM
CCc1c(C)nc(SCc2ccccn2)[n-]c1=O	ZINC000005877179	170149352	/nfs/dbraw/zinc/14/93/52/170149352.db2.gz	NFBBTHKIDAORLR-UHFFFAOYSA-N	-1	1	261.350	2.328	50	0		CEAAMM
COCCn1c(CCc2ccccc2)n[n-]c1=S	ZINC000006581775	170215850	/nfs/dbraw/zinc/21/58/50/170215850.db2.gz	AZVSVNLGCVEYDS-UHFFFAOYSA-N	-1	1	263.366	2.372	50	0		CEAAMM
CCOc1ccc(Nc2nc3c(c(=O)[n-]2)CCC3)cc1	ZINC000008581346	170341841	/nfs/dbraw/zinc/34/18/41/170341841.db2.gz	KKGKVDJWIMUJLV-UHFFFAOYSA-N	-1	1	271.320	2.401	50	0		CEAAMM
Cc1cccc(NC(=O)c2cc(Cl)nc(=O)[n-]2)c1	ZINC000008981651	170360316	/nfs/dbraw/zinc/36/03/16/170360316.db2.gz	OBJXKCQDEZWIFW-UHFFFAOYSA-N	-1	1	263.684	2.396	50	0		CEAAMM
CCc1c(C)nc(Nc2ccc(OC)cc2)[n-]c1=O	ZINC000009264711	170369375	/nfs/dbraw/zinc/36/93/75/170369375.db2.gz	CLEUMZOHKPTNIO-UHFFFAOYSA-N	-1	1	259.309	2.393	50	0		CEAAMM
O=C(Nc1nnn[n-]1)[C@H]1C[C@@H]1c1cccc(Cl)c1Cl	ZINC000071897880	176293030	/nfs/dbraw/zinc/29/30/30/176293030.db2.gz	FYLOYBQGZBGFTO-RQJHMYQMSA-N	-1	1	298.133	2.249	50	0		CEAAMM
O=C(Nc1nn[n-]n1)[C@H]1C[C@@H]1c1cccc(Cl)c1Cl	ZINC000071897880	176293032	/nfs/dbraw/zinc/29/30/32/176293032.db2.gz	FYLOYBQGZBGFTO-RQJHMYQMSA-N	-1	1	298.133	2.249	50	0		CEAAMM
COc1cc2nc(-c3ccccn3)[n-]c(=O)c2cc1OC	ZINC000044978334	277856966	/nfs/dbraw/zinc/85/69/66/277856966.db2.gz	VXUJVRGPMWMDSF-UHFFFAOYSA-N	-1	1	283.287	2.002	50	0		CEAAMM
CC[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1)c1nn[n-]n1	ZINC000584906897	813604977	/nfs/dbraw/zinc/60/49/77/813604977.db2.gz	HHQUFAAOWRGRJI-SECBINFHSA-N	-1	1	299.256	2.100	50	0		CEAAMM
C[C@H](CNC(=O)c1cc(F)ccc1[O-])c1ccncc1	ZINC000096456628	230377502	/nfs/dbraw/zinc/37/75/02/230377502.db2.gz	RNZLLXYLTIQOCX-SNVBAGLBSA-N	-1	1	274.295	2.460	50	0		CEAAMM
CCONCc1cc(=O)oc2cc([O-])c(CC)cc12	ZINC000032851181	361760625	/nfs/dbraw/zinc/76/06/25/361760625.db2.gz	MZCQEHPVWCFWOO-UHFFFAOYSA-N	-1	1	263.293	2.102	50	0		CEAAMM
Cc1ncnc2c1ncn2-c1cc([O-])c(F)c(F)c1	ZINC000065375997	282225212	/nfs/dbraw/zinc/22/52/12/282225212.db2.gz	HTGZPEQAVCWTTD-UHFFFAOYSA-N	-1	1	262.219	2.108	50	0		CEAAMM
CC[C@@H](NC(=O)c1ncccc1[O-])c1ccncc1	ZINC000127502704	365750203	/nfs/dbraw/zinc/75/02/03/365750203.db2.gz	RDABSIZKIHRDQH-LLVKDONJSA-N	-1	1	257.293	2.063	50	0		CEAAMM
O=C(c1ncccc1[O-])N(CC1CC1)CC(F)(F)F	ZINC000097102439	344242939	/nfs/dbraw/zinc/24/29/39/344242939.db2.gz	GUGOZNALURWWEJ-UHFFFAOYSA-N	-1	1	274.242	2.202	50	0		CEAAMM
Cc1cnccc1CCNC(=O)c1ccc([O-])cc1F	ZINC000165333983	344474363	/nfs/dbraw/zinc/47/43/63/344474363.db2.gz	JGUJQIXLWDITSQ-UHFFFAOYSA-N	-1	1	274.295	2.207	50	0		CEAAMM
C[C@H](c1ccccc1)[C@](C)(O)C(=O)Nc1ccncc1[O-]	ZINC000170072791	344484152	/nfs/dbraw/zinc/48/41/52/344484152.db2.gz	OSTAMHBYAPQIAT-BZNIZROVSA-N	-1	1	286.331	2.280	50	0		CEAAMM
CCN(C(=O)CSc1nc(C2CC2)cc(=O)[n-]1)C1CC1	ZINC000170605463	344486605	/nfs/dbraw/zinc/48/66/05/344486605.db2.gz	DPRWUCKWWVAALM-UHFFFAOYSA-N	-1	1	293.392	2.163	50	0		CEAAMM
COC[C@@H](C)c1nc(-c2ccc([O-])c(C(N)=O)c2)cs1	ZINC000058265584	362616782	/nfs/dbraw/zinc/61/67/82/362616782.db2.gz	ISHAVBMVOKBERY-MRVPVSSYSA-N	-1	1	292.360	2.365	50	0		CEAAMM
C[C@H]1CN(C(=O)c2ncccc2[O-])[C@@H](c2ccccc2)CO1	ZINC000128500560	187373927	/nfs/dbraw/zinc/37/39/27/187373927.db2.gz	JFOWWICYQPEVKF-GXTWGEPZSA-N	-1	1	298.342	2.389	50	0		CEAAMM
Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cn1	ZINC000000017876	361116792	/nfs/dbraw/zinc/11/67/92/361116792.db2.gz	GDCSKSYQLOXHKN-UHFFFAOYSA-N	-1	1	266.297	2.330	50	0		CEAAMM
CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1	ZINC000000251220	361152208	/nfs/dbraw/zinc/15/22/08/361152208.db2.gz	GDPQDWYHZBUJTA-UHFFFAOYSA-N	-1	1	290.344	2.446	50	0		CEAAMM
COC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1	ZINC000000581580	361188522	/nfs/dbraw/zinc/18/85/22/361188522.db2.gz	ZDYHULHEHXQTBN-UHFFFAOYSA-N	-1	1	291.328	2.274	50	0		CEAAMM
Nc1cccc([N-]S(=O)(=O)c2ccc(F)cc2)c1	ZINC000000874242	361194776	/nfs/dbraw/zinc/19/47/76/361194776.db2.gz	MGYRPTXKLDYADH-UHFFFAOYSA-N	-1	1	266.297	2.209	50	0		CEAAMM
COc1ccc([O-])c(C(=O)c2cnc3onc(C)c3c2)c1	ZINC000003426175	361280258	/nfs/dbraw/zinc/28/02/58/361280258.db2.gz	MTNUWOXBKVLELB-UHFFFAOYSA-N	-1	1	284.271	2.476	50	0		CEAAMM
CCn1c(CCNC(=O)c2ccccc2F)n[n-]c1=S	ZINC000004520750	361319907	/nfs/dbraw/zinc/31/99/07/361319907.db2.gz	OFDDLIFLVXJWFW-UHFFFAOYSA-N	-1	1	294.355	2.072	50	0		CEAAMM
CC(C)(C)c1ccc(/C=C2\NC(=S)[N-]C2=O)cc1	ZINC000012634977	361394812	/nfs/dbraw/zinc/39/48/12/361394812.db2.gz	MCYGLLGUOOAHNF-FLIBITNWSA-N	-1	1	260.362	2.329	50	0		CEAAMM
Cc1ccc(C(=O)CSc2nc(C)cc(=O)[n-]2)cc1	ZINC000018127685	361515559	/nfs/dbraw/zinc/51/55/59/361515559.db2.gz	MOTHRYMOGCLAMN-UHFFFAOYSA-N	-1	1	274.345	2.362	50	0		CEAAMM
Cc1n[nH]cc1[N-]S(=O)(=O)c1cc(F)ccc1Cl	ZINC000090231132	364050541	/nfs/dbraw/zinc/05/05/41/364050541.db2.gz	LGXMLNQWHPVHDV-UHFFFAOYSA-N	-1	1	289.719	2.311	50	0		CEAAMM
Cn1c(Cl)cnc1CN1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21	ZINC000230048712	370437438	/nfs/dbraw/zinc/43/74/38/370437438.db2.gz	ALPNXFMMNJRTHA-DCAQKATOSA-N	-1	1	297.786	2.291	50	0		CEAAMM
C[C@@H]1CCC[C@H](NC(=O)CSc2nccc(=O)[n-]2)[C@H]1C	ZINC000253529413	371525813	/nfs/dbraw/zinc/52/58/13/371525813.db2.gz	LQZUNPHJCABTIF-VWYCJHECSA-N	-1	1	295.408	2.215	50	0		CEAAMM
COc1cccc(-c2ccc([N-]S(C)(=O)=O)nc2)c1F	ZINC000426423749	377405951	/nfs/dbraw/zinc/40/59/51/377405951.db2.gz	ROVNWXWJZFTYLI-UHFFFAOYSA-N	-1	1	296.323	2.268	50	0		CEAAMM
CCC12C[C@H]3C[C@@H](C1)CC(C(=O)Nc1nnn[n-]1)(C3)C2	ZINC000004802946	170019104	/nfs/dbraw/zinc/01/91/04/170019104.db2.gz	AGQMBQLYIPSXBR-XYAOECAESA-N	-1	1	275.356	2.135	50	0		CEAAMM
CCC12C[C@H]3C[C@@H](C1)CC(C(=O)Nc1nn[n-]n1)(C3)C2	ZINC000004802946	170019106	/nfs/dbraw/zinc/01/91/06/170019106.db2.gz	AGQMBQLYIPSXBR-XYAOECAESA-N	-1	1	275.356	2.135	50	0		CEAAMM
Nc1cc(=O)[n-]c(SCCOc2ccccc2Cl)n1	ZINC000005052673	170061920	/nfs/dbraw/zinc/06/19/20/170061920.db2.gz	KRMBTIMDGVWNHN-UHFFFAOYSA-N	-1	1	297.767	2.177	50	0		CEAAMM
CCOc1ccccc1-c1n[nH]c(SCC(=O)[O-])n1	ZINC000006553462	170212723	/nfs/dbraw/zinc/21/27/23/170212723.db2.gz	BAIKCMQSTHHYBA-UHFFFAOYSA-N	-1	1	279.321	2.047	50	0	aggregator	CEAAMM
Cn1c(C[C@@H]2Sc3ccccc3NC2=O)n[n-]c1=S	ZINC000000169333	279308402	/nfs/dbraw/zinc/30/84/02/279308402.db2.gz	JCYXAMDLMAPPQP-VIFPVBQESA-N	-1	1	292.389	2.133	50	0		CEAAMM
C[C@H]1CO[C@@H](c2ccccc2)CN1CCCC(=O)[O-]	ZINC000116391611	300366295	/nfs/dbraw/zinc/36/62/95/300366295.db2.gz	YVXHYCNDLGWXBI-GXTWGEPZSA-N	-1	1	263.337	2.313	50	0		CEAAMM
CCc1nnsc1C(=O)[N-]c1nnc(CC(C)C)s1	ZINC000047830617	362226124	/nfs/dbraw/zinc/22/61/24/362226124.db2.gz	PRKSOHFSLKOPSS-UHFFFAOYSA-N	-1	1	297.409	2.403	50	0		CEAAMM
Cc1c(C(=O)[N-]c2nncs2)oc2c1C(=O)CCC2	ZINC000048502480	362280312	/nfs/dbraw/zinc/28/03/12/362280312.db2.gz	XJQVELOJWSGHTN-UHFFFAOYSA-N	-1	1	277.305	2.211	50	0		CEAAMM
COCCCc1nc(-c2ccc([O-])c(C(N)=O)c2)cs1	ZINC000049079070	362332735	/nfs/dbraw/zinc/33/27/35/362332735.db2.gz	KXCVORMZWKWTDI-UHFFFAOYSA-N	-1	1	292.360	2.194	50	0		CEAAMM
COC(C)(C)CCNC(=O)c1ccc(F)c([O-])c1	ZINC000584901393	345004220	/nfs/dbraw/zinc/00/42/20/345004220.db2.gz	HLLNBTAVECDOCO-UHFFFAOYSA-N	-1	1	255.289	2.076	50	0		CEAAMM
O=c1[nH]c2ccccc2nc1-c1n[n-]c(-c2ccccc2)n1	ZINC000067834394	362927399	/nfs/dbraw/zinc/92/73/99/362927399.db2.gz	DITCFZSBRSCZQF-UHFFFAOYSA-N	-1	1	289.298	2.375	50	0		CEAAMM
O=C([O-])c1ccc(C[C@@H]2CCN(Cc3ncc[nH]3)C2)cc1	ZINC000072447876	363135722	/nfs/dbraw/zinc/13/57/22/363135722.db2.gz	DRBNEHFRIZUVHO-ZDUSSCGKSA-N	-1	1	285.347	2.173	50	0		CEAAMM
O=c1nc(-c2ccon2)[n-]c2sc3c(c21)CCC3	ZINC000074797445	363395439	/nfs/dbraw/zinc/39/54/39/363395439.db2.gz	SHPLSYZCWCFIRD-UHFFFAOYSA-N	-1	1	259.290	2.128	50	0		CEAAMM
Cc1ccc(N)cc1[N-]S(=O)(=O)c1ccccc1	ZINC000000411548	361171877	/nfs/dbraw/zinc/17/18/77/361171877.db2.gz	UWSQTCSGEXESKN-UHFFFAOYSA-N	-1	1	262.334	2.378	50	0		CEAAMM
CCS(=O)(=O)[N-]c1cc(OC)c(Cl)cc1OC	ZINC000000473787	361179294	/nfs/dbraw/zinc/17/92/94/361179294.db2.gz	YLNPHCOCYSGHFG-UHFFFAOYSA-N	-1	1	279.745	2.119	50	0		CEAAMM
CCOC(=O)NC(=S)[N-]c1ccc(NC(C)=O)cc1	ZINC000000611402	361189853	/nfs/dbraw/zinc/18/98/53/361189853.db2.gz	OAYUNGIFOOMSJQ-UHFFFAOYSA-N	-1	1	281.337	2.088	50	0		CEAAMM
O=C1c2ccc([O-])cc2OC[C@@H]1c1ccc(O)cc1	ZINC000002558134	361241064	/nfs/dbraw/zinc/24/10/64/361241064.db2.gz	JHYXBPPMXZIHKG-CYBMUJFWSA-N	-1	1	256.257	2.457	50	0	endogenous,in-man	CEAAMM
O=C(C=Cc1ccco1)OCC(=O)c1ccc([O-])cc1O	ZINC000003340559	361275095	/nfs/dbraw/zinc/27/50/95/361275095.db2.gz	JJBRZEYPLJNWFW-GQCTYLIASA-N	-1	1	288.255	2.130	50	0		CEAAMM
O=C([O-])[C@H]1CCCN(Cc2ccc(F)cc2F)C1	ZINC000003749784	361290604	/nfs/dbraw/zinc/29/06/04/361290604.db2.gz	PHPLUDJLMCXLJH-JTQLQIEISA-N	-1	1	255.264	2.261	50	0		CEAAMM
CCCCc1ccc(-n2c(O)cc(=O)[n-]c2=S)cc1	ZINC000005951821	361334876	/nfs/dbraw/zinc/33/48/76/361334876.db2.gz	DFHJAQOEGCFDBV-UHFFFAOYSA-N	-1	1	276.361	2.167	50	0		CEAAMM
CSc1nc2c(-c3ccccc3)c[n-]n2c(=O)n1	ZINC000015083344	361466243	/nfs/dbraw/zinc/46/62/43/361466243.db2.gz	ICIGGIMLPZAANC-UHFFFAOYSA-N	-1	1	258.306	2.219	50	0		CEAAMM
COC(=O)c1ccccc1C(=O)c1ccc([O-])cc1	ZINC000032145890	361731693	/nfs/dbraw/zinc/73/16/93/361731693.db2.gz	IKMDAJBBMNDKJY-UHFFFAOYSA-N	-1	1	256.257	2.410	50	0		CEAAMM
Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1C[C@@H]2CCC[C@H]2C1	ZINC000089499538	363973818	/nfs/dbraw/zinc/97/38/18/363973818.db2.gz	MUGOYTKCOVGFDA-RYUDHWBXSA-N	-1	1	289.379	2.074	50	0		CEAAMM
CC(C)N(CCc1nccs1)C(=O)c1ncccc1[O-]	ZINC000097102528	364449377	/nfs/dbraw/zinc/44/93/77/364449377.db2.gz	KZOHLFCOXQHBPZ-UHFFFAOYSA-N	-1	1	291.376	2.337	50	0		CEAAMM
CCSCC[C@H](C)N(C)C(=O)c1ncccc1[O-]	ZINC000097377920	364497251	/nfs/dbraw/zinc/49/72/51/364497251.db2.gz	PIZGTUKZCOOVTN-JTQLQIEISA-N	-1	1	268.382	2.391	50	0		CEAAMM
Cc1nn(C)cc1[C@H](C)NC(=O)c1cc(F)ccc1[O-]	ZINC000175217707	368114539	/nfs/dbraw/zinc/11/45/39/368114539.db2.gz	DZGQNEOAICJTRT-QMMMGPOBSA-N	-1	1	277.299	2.064	50	0		CEAAMM
CC[C@@H](NC(=O)c1ncccc1[O-])c1ncccc1C	ZINC000223123874	370260706	/nfs/dbraw/zinc/26/07/06/370260706.db2.gz	NPIHTAHCQSFVQS-LLVKDONJSA-N	-1	1	271.320	2.372	50	0		CEAAMM
CC(=NN=C1NC(=O)C(CC(=O)[O-])S1)C(C)(C)C	ZINC000252604100	371459392	/nfs/dbraw/zinc/45/93/92/371459392.db2.gz	FWJVXZZMADFVRV-SSDOTTSWSA-N	-1	1	271.342	2.311	50	0		CEAAMM
Cc1n[nH]c(-c2ccccc2)c1NC(=O)[C@@H]1C[C@H]1C(=O)[O-]	ZINC000647739160	395751390	/nfs/dbraw/zinc/75/13/90/395751390.db2.gz	CPLWOWBVDADNRQ-GHMZBOCLSA-N	-1	1	285.303	2.044	50	0		CEAAMM
CCCc1cc(=O)[n-]c(Nc2ccccc2OC)n1	ZINC000005012124	170055333	/nfs/dbraw/zinc/05/53/33/170055333.db2.gz	UBIORFVYQPSZAF-UHFFFAOYSA-N	-1	1	259.309	2.475	50	0		CEAAMM
CCc1ccc(NC(=O)CSc2nccc(=O)[n-]2)cc1	ZINC000005045199	170060148	/nfs/dbraw/zinc/06/01/48/170060148.db2.gz	IYAOXXBAOGIYSD-UHFFFAOYSA-N	-1	1	289.360	2.063	50	0		CEAAMM
Cc1cc(C)cc(NC(=O)CSc2nccc(=O)[n-]2)c1	ZINC000005045195	170060427	/nfs/dbraw/zinc/06/04/27/170060427.db2.gz	GLFGWQLMKQGYIZ-UHFFFAOYSA-N	-1	1	289.360	2.118	50	0		CEAAMM
CCCc1cc(=O)[n-]c(SCC(=O)N[C@H](C)CCC)n1	ZINC000007654234	170295988	/nfs/dbraw/zinc/29/59/88/170295988.db2.gz	NPKFGCBBMFFSLJ-SNVBAGLBSA-N	-1	1	297.424	2.119	50	0		CEAAMM
Cc1cc(=O)[n-]c(SCc2cc(=O)c3ccccc3[nH]2)n1	ZINC000021098633	171297743	/nfs/dbraw/zinc/29/77/43/171297743.db2.gz	OEKONBUZRQYJJU-UHFFFAOYSA-N	-1	1	299.355	2.212	50	0		CEAAMM
O=C([O-])[C@@H](NC(=O)c1n[nH]c2ccccc21)c1ccccc1	ZINC000022238869	171381023	/nfs/dbraw/zinc/38/10/23/171381023.db2.gz	PRUQLYJMCGCNKJ-ZDUSSCGKSA-N	-1	1	295.298	2.119	50	0		CEAAMM
Cc1[n-]n(-c2ccccc2)c(=O)c1C(=O)C(F)(F)F	ZINC000100046834	276187142	/nfs/dbraw/zinc/18/71/42/276187142.db2.gz	VXIIAPOORVGKBU-VIFPVBQESA-N	-1	1	270.210	2.157	50	0		CEAAMM
COc1cc(C=C2SC(=O)[N-]C2=O)cc(OC)c1	ZINC000001009584	277366713	/nfs/dbraw/zinc/36/67/13/277366713.db2.gz	VRHTYBLWNKWMQB-BJMVGYQFSA-N	-1	1	265.290	2.028	50	0		CEAAMM
CC(C)(C)[C@H]1CCC[C@@H]1Nc1nc2[nH][n-]cc-2c(=O)n1	ZINC000562732413	327510224	/nfs/dbraw/zinc/51/02/24/327510224.db2.gz	ULJKPENFSNNLQM-UWVGGRQHSA-N	-1	1	275.356	2.059	50	0		CEAAMM
CS(=O)(=O)[N-]c1ccc(-c2cccs2)cn1	ZINC000032577788	361743790	/nfs/dbraw/zinc/74/37/90/361743790.db2.gz	SYRVMALUJHNIRG-UHFFFAOYSA-N	-1	1	254.336	2.182	50	0		CEAAMM
CC(=O)n1c([O-])c2c(C)c(C)sc2nc1=S	ZINC000005387197	343354058	/nfs/dbraw/zinc/35/40/58/343354058.db2.gz	GWDPQNDNDDDJOC-UHFFFAOYSA-N	-1	1	254.336	2.398	50	0		CEAAMM
C[C@@H](O)C[C@@H](C)CNC(=O)c1c([O-])cccc1Cl	ZINC000075092931	343837062	/nfs/dbraw/zinc/83/70/62/343837062.db2.gz	BUKCEPFEKHAQAK-RKDXNWHRSA-N	-1	1	271.744	2.182	50	0		CEAAMM
O=C(c1ncccc1[O-])N1CCC[C@@H]1COc1ccccc1	ZINC000097102438	344242741	/nfs/dbraw/zinc/24/27/41/344242741.db2.gz	ZSWKLNMKLGQKRX-CYBMUJFWSA-N	-1	1	298.342	2.471	50	0		CEAAMM
Cn1cc(-c2nc(=O)c3cc(C(C)(C)C)sc3[n-]2)nn1	ZINC000585137418	345007020	/nfs/dbraw/zinc/00/70/20/345007020.db2.gz	YBPWFZMMESEUAQ-UHFFFAOYSA-N	-1	1	289.364	2.490	50	0		CEAAMM
Cn1cc(-c2nc(=O)c3c4c(sc3[n-]2)CCCC4)nn1	ZINC000585137329	345007098	/nfs/dbraw/zinc/00/70/98/345007098.db2.gz	SMBFEOSXDAEAKZ-UHFFFAOYSA-N	-1	1	287.348	2.071	50	0		CEAAMM
C[C@H]1C[C@H]1C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1	ZINC000057554161	362585849	/nfs/dbraw/zinc/58/58/49/362585849.db2.gz	OQABZHWKQVORCH-XHDPSFHLSA-N	-1	1	287.359	2.470	50	0		CEAAMM
CS(=O)(=O)[N-]c1ccc(-c2cccc3[nH]ccc32)cn1	ZINC000067909376	362930848	/nfs/dbraw/zinc/93/08/48/362930848.db2.gz	KCQMNBRWZGQVIJ-UHFFFAOYSA-N	-1	1	287.344	2.023	50	0		CEAAMM
Cc1ncc(CO)c(C[N@H+]2CCC[C@@H]2c2ccccn2)c1O	ZINC000067920708	362931994	/nfs/dbraw/zinc/93/19/94/362931994.db2.gz	WAKGFOSOCZAWTK-MRXNPFEDSA-N	-1	1	299.374	2.320	50	0		CEAAMM
O=C(Nc1cc(-c2ccncc2)[nH]n1)c1ccccc1[O-]	ZINC000069568042	362981102	/nfs/dbraw/zinc/98/11/02/362981102.db2.gz	AMFGVUATKBUHBZ-UHFFFAOYSA-N	-1	1	280.287	2.430	50	0		CEAAMM
Cc1ccccc1[C@H]1CN(CCCC(=O)[O-])CCO1	ZINC000131422529	366052711	/nfs/dbraw/zinc/05/27/11/366052711.db2.gz	WMBBXGXNXSBXGG-CQSZACIVSA-N	-1	1	263.337	2.233	50	0		CEAAMM
Cc1ccc([C@H](C)NC(=O)c2nc3ccccc3c(=O)[n-]2)o1	ZINC000074272580	363318993	/nfs/dbraw/zinc/31/89/93/363318993.db2.gz	KPIKDVPLGHRTLU-JTQLQIEISA-N	-1	1	297.314	2.316	50	0		CEAAMM
O=c1cc([C@H]2CCC[N@@H+](Cc3nccs3)C2)nc[nH]1	ZINC000670455068	540418197	/nfs/dbraw/zinc/41/81/97/540418197.db2.gz	XBVLIHZBOAZVPH-JTQLQIEISA-N	-1	1	276.365	2.018	50	0		CEAAMM
COc1ccc(OCC(=O)c2ccc([O-])cc2O)cc1	ZINC000000141040	361134033	/nfs/dbraw/zinc/13/40/33/361134033.db2.gz	GJESQJQIJJOFBG-UHFFFAOYSA-N	-1	1	274.272	2.368	50	0		CEAAMM
CCOC(=O)N=c1s[n-]c(C)c1C(=O)OCC	ZINC000000373707	361166985	/nfs/dbraw/zinc/16/69/85/361166985.db2.gz	PMVBEUUBHVAURF-UHFFFAOYSA-N	-1	1	258.299	2.197	50	0		CEAAMM
CC(C)(C)c1ccc(CC(C(=O)[O-])C(=O)O)cc1	ZINC000002505338	361237119	/nfs/dbraw/zinc/23/71/19/361237119.db2.gz	RFJKUWQEUIWDBD-UHFFFAOYSA-N	-1	1	250.294	2.312	50	0		CEAAMM
Cc1ccc(CSc2nc(C)c(CCO)c(=O)[n-]2)cc1	ZINC000004002882	361296312	/nfs/dbraw/zinc/29/63/12/361296312.db2.gz	YIXDXVCGGKHHPP-UHFFFAOYSA-N	-1	1	290.388	2.214	50	0		CEAAMM
O=c1ccc(-c2n[n-]c(=S)o2)cn1Cc1ccccc1	ZINC000003052139	361262377	/nfs/dbraw/zinc/26/23/77/361262377.db2.gz	NCYXBRSXZMPBSM-UHFFFAOYSA-N	-1	1	285.328	2.235	50	0		CEAAMM
O=c1[n-]cnc(-c2ccccc2)c1Br	ZINC000008691825	361343548	/nfs/dbraw/zinc/34/35/48/361343548.db2.gz	DNLRXQMTOGCAIG-UHFFFAOYSA-N	-1	1	251.083	2.199	50	0		CEAAMM
O=C1[N-]C(=S)NC1=Cc1ccc(Cl)cc1Cl	ZINC000012428481	361385297	/nfs/dbraw/zinc/38/52/97/361385297.db2.gz	XAMWGBWREMYZKV-BAQGIRSFSA-N	-1	1	273.144	2.339	50	0		CEAAMM
O=C(NC1=NCCS1)c1ccc2ccccc2c1[O-]	ZINC000014129535	361448928	/nfs/dbraw/zinc/44/89/28/361448928.db2.gz	AKJJGQXQSBKMTB-UHFFFAOYSA-N	-1	1	272.329	2.378	50	0		CEAAMM
CC(C)(C)OC(=O)NCc1n[n-]c(=S)n1C1CC1	ZINC000015924244	361479808	/nfs/dbraw/zinc/47/98/08/361479808.db2.gz	RKEBRKREEAVQSW-UHFFFAOYSA-N	-1	1	270.358	2.300	50	0		CEAAMM
C[C@H](NC(=O)CSc1nccc(=O)[n-]1)c1ccccc1	ZINC000018172830	361515483	/nfs/dbraw/zinc/51/54/83/361515483.db2.gz	YFIPYQIJFDTDNE-JTQLQIEISA-N	-1	1	289.360	2.152	50	0		CEAAMM
O=C([O-])CN1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1	ZINC000238160763	370772709	/nfs/dbraw/zinc/77/27/09/370772709.db2.gz	FFQLTDRZYMNVNE-LLVKDONJSA-N	-1	1	289.253	2.163	50	0		CEAAMM
O=C([O-])CN1CCO[C@H](c2cccc(C(F)(F)F)c2)C1	ZINC000238161047	370773016	/nfs/dbraw/zinc/77/30/16/370773016.db2.gz	FFQLTDRZYMNVNE-NSHDSACASA-N	-1	1	289.253	2.163	50	0		CEAAMM
CC[C@@H](NC(=O)c1ncccc1[O-])c1c(C)nn(C)c1C	ZINC000097165500	364471162	/nfs/dbraw/zinc/47/11/62/364471162.db2.gz	NOAGHYAOJVEFCJ-LLVKDONJSA-N	-1	1	288.351	2.019	50	0		CEAAMM
Cc1[nH]c(C(=O)[O-])c(C)c1-c1nnc(C2CCOCC2)[nH]1	ZINC000097288672	364489948	/nfs/dbraw/zinc/48/99/48/364489948.db2.gz	RWMPELAENFYBOF-UHFFFAOYSA-N	-1	1	290.323	2.009	50	0		CEAAMM
O=S(=O)(CCC1CC1)[N-]c1cc(-c2ccncc2)[nH]n1	ZINC000097377200	364497177	/nfs/dbraw/zinc/49/71/77/364497177.db2.gz	UPLPABSLUCWIGZ-UHFFFAOYSA-N	-1	1	292.364	2.014	50	0		CEAAMM
C[C@@H]1CN(C(=O)c2ncccc2[O-])[C@H]2CCCC[C@@H]12	ZINC000195571044	370143229	/nfs/dbraw/zinc/14/32/29/370143229.db2.gz	WZSPPLGBRHSIDF-WOPDTQHZSA-N	-1	1	260.337	2.438	50	0		CEAAMM
C[C@H](NCc1cccc([O-])c1Cl)c1nncn1C	ZINC000293460225	377577035	/nfs/dbraw/zinc/57/70/35/377577035.db2.gz	DCBXAASBKPSNGW-QMMMGPOBSA-N	-1	1	266.732	2.025	50	0		CEAAMM
CC(C)(C)c1ccc(/C=C2/NC(=S)[N-]C2=O)cc1	ZINC000000229623	394449017	/nfs/dbraw/zinc/44/90/17/394449017.db2.gz	MCYGLLGUOOAHNF-DHZHZOJOSA-N	-1	1	260.362	2.329	50	0		CEAAMM
Cc1ccc(C(=O)Nc2nn3c([n-]2)nc(C)c(C)c3=O)cc1	ZINC000018219983	394468539	/nfs/dbraw/zinc/46/85/39/394468539.db2.gz	DBKSHCAGWMXSMB-UHFFFAOYSA-N	-1	1	297.318	2.007	50	0		CEAAMM
CC1=NN(C(=O)c2ccccc2[O-])[C@@](O)(c2ccccc2)C1	ZINC000005296669	170084218	/nfs/dbraw/zinc/08/42/18/170084218.db2.gz	XDCZFDIWGSJSFB-KRWDZBQOSA-N	-1	1	296.326	2.459	50	0		CEAAMM
CC1=NN(C(=O)c2ccccc2[O-])[C@](O)(c2ccccc2)C1	ZINC000005296643	170084227	/nfs/dbraw/zinc/08/42/27/170084227.db2.gz	XDCZFDIWGSJSFB-QGZVFWFLSA-N	-1	1	296.326	2.459	50	0		CEAAMM
O=C(c1ccc2c(c1)OCO2)c1c[n-]c2ccccc2c1=O	ZINC000038316379	174139496	/nfs/dbraw/zinc/13/94/96/174139496.db2.gz	RMALFDRACTXTFR-UHFFFAOYSA-N	-1	1	293.278	2.488	50	0		CEAAMM
C[C@@H]1CN(CC(=O)[O-])Cc2cc(Cl)ccc2O1	ZINC000299788252	288143127	/nfs/dbraw/zinc/14/31/27/288143127.db2.gz	WFZNIUDFVQFGKH-MRVPVSSYSA-N	-1	1	255.701	2.008	50	0		CEAAMM
CC(C)n1c2ccccc2nc1CN1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1	ZINC000534588246	328316654	/nfs/dbraw/zinc/31/66/54/328316654.db2.gz	WZJNSKYEPSTWNH-ATCWAGBWSA-N	-1	1	299.374	2.380	50	0		CEAAMM
COc1cccc(C(=O)CSc2nc(C)cc(=O)[n-]2)c1	ZINC000034260302	809022534	/nfs/dbraw/zinc/02/25/34/809022534.db2.gz	GCHZQNPSQWUNTQ-UHFFFAOYSA-N	-1	1	290.344	2.062	50	0		CEAAMM
CCc1c(C)sc2[nH]c(=O)c3c(=O)[n-]c(C)nc3c12	ZINC000016475240	810525802	/nfs/dbraw/zinc/52/58/02/810525802.db2.gz	HXMPSLNATBNCAU-UHFFFAOYSA-N	-1	1	275.333	2.005	50	0		CEAAMM
C[C@@H](CN(C)C(=O)c1cncc([O-])c1)c1nccs1	ZINC000096502633	230385108	/nfs/dbraw/zinc/38/51/08/230385108.db2.gz	OWNHCYSTKQEBMG-VIFPVBQESA-N	-1	1	277.349	2.119	50	0		CEAAMM
CCCc1cc(=O)[n-]c(SCc2csc(N)n2)n1	ZINC000036723512	361852305	/nfs/dbraw/zinc/85/23/05/361852305.db2.gz	WQOUDWMSNKGXRT-UHFFFAOYSA-N	-1	1	282.394	2.053	50	0		CEAAMM
CO[C@@H]1CCCC[C@H]1NC(=O)c1c([O-])cccc1F	ZINC000126540276	187247241	/nfs/dbraw/zinc/24/72/41/187247241.db2.gz	FQKNMTRPGOLCRP-ZYHUDNBSSA-N	-1	1	267.300	2.219	50	0		CEAAMM
O=C([O-])c1cccc(Nc2snnc2S)c1	ZINC000063772505	362774757	/nfs/dbraw/zinc/77/47/57/362774757.db2.gz	QCSYOUZRIPAPOE-UHFFFAOYSA-N	-1	1	253.308	2.269	50	0		CEAAMM
COc1ccc(OC)c([N-]S(=O)(=O)CC(C)C)c1	ZINC000000758900	361190985	/nfs/dbraw/zinc/19/09/85/361190985.db2.gz	VTDDAGHSLDTTIC-UHFFFAOYSA-N	-1	1	273.354	2.102	50	0		CEAAMM
O=C1[N-]C(=S)NC1=Cc1cccc2ccccc12	ZINC000002490355	361235455	/nfs/dbraw/zinc/23/54/55/361235455.db2.gz	CCCKWJNXOMFOLZ-WQLSENKSSA-N	-1	1	254.314	2.185	50	0		CEAAMM
Cc1cccc(C=CC(=O)c2c([O-])cc(C)oc2=O)c1	ZINC000002618308	361242812	/nfs/dbraw/zinc/24/28/12/361242812.db2.gz	YOEZOGCBFWCKAF-LFAOLKIESA-N	-1	1	270.284	2.223	50	0		CEAAMM
Nc1nc2sc3c(c2c2n[n-]c(=S)n21)CCCC3	ZINC000005816951	361335561	/nfs/dbraw/zinc/33/55/61/361335561.db2.gz	RLWMEYZWEQDLQB-UHFFFAOYSA-N	-1	1	277.378	2.089	50	0		CEAAMM
Cc1cccc(S(=O)(=O)[N-]c2ccc(CCO)cc2)c1	ZINC000019781532	361553044	/nfs/dbraw/zinc/55/30/44/361553044.db2.gz	HLVSGZPOCYZIRM-UHFFFAOYSA-N	-1	1	291.372	2.331	50	0		CEAAMM
Cn1c(CNC(=O)c2ccc([O-])cc2F)nc2ccccc21	ZINC000097046562	364432836	/nfs/dbraw/zinc/43/28/36/364432836.db2.gz	KGTULZFJNPJJEB-UHFFFAOYSA-N	-1	1	299.305	2.348	50	0		CEAAMM
O=C(Nc1ccc([O-])c(Cl)c1)C1(O)CCCC1	ZINC000097060422	364437918	/nfs/dbraw/zinc/43/79/18/364437918.db2.gz	JZGAUWCHUKKWQH-UHFFFAOYSA-N	-1	1	255.701	2.289	50	0		CEAAMM
CCC[C@H](NCC(=O)N1CCC[C@@H]2CCCC[C@@H]21)C(=O)[O-]	ZINC000036839832	283928274	/nfs/dbraw/zinc/92/82/74/283928274.db2.gz	CPKWGUMRLDGFFO-IHRRRGAJSA-N	-1	1	296.411	2.011	50	0		CEAAMM
C[C@@H]1CCC[C@@H](NC(=O)CSc2nccc(=O)[n-]2)[C@H]1C	ZINC000253529412	371525662	/nfs/dbraw/zinc/52/56/62/371525662.db2.gz	LQZUNPHJCABTIF-OUAUKWLOSA-N	-1	1	295.408	2.215	50	0		CEAAMM
O=C(NC[C@@H]1CCCOC1)c1ncc2ccccc2c1[O-]	ZINC000408523935	375511817	/nfs/dbraw/zinc/51/18/17/375511817.db2.gz	WENBODLFIOUZKM-NSHDSACASA-N	-1	1	286.331	2.097	50	0		CEAAMM
O=C(c1ncccc1[O-])N1CCS[C@@H]2CCCC[C@H]21	ZINC000097102413	296306078	/nfs/dbraw/zinc/30/60/78/296306078.db2.gz	WSHQTTULAVNGNE-ZYHUDNBSSA-N	-1	1	278.377	2.287	50	0		CEAAMM
O=C(NCC[C@@H]1CCCOC1)c1ccc([O-])cc1F	ZINC000529600367	380180175	/nfs/dbraw/zinc/18/01/75/380180175.db2.gz	NRTMVMRXDFXEMU-JTQLQIEISA-N	-1	1	267.300	2.078	50	0		CEAAMM
C[C@@H]1CN(CCCC(=O)[O-])[C@H](c2ccccc2)CO1	ZINC000174458113	395124025	/nfs/dbraw/zinc/12/40/25/395124025.db2.gz	POLFKWBEZZEUSA-OCCSQVGLSA-N	-1	1	263.337	2.313	50	0		CEAAMM
CCN(C(=O)CSc1nccc(=O)[n-]1)C1CCCCC1	ZINC000004864613	170032940	/nfs/dbraw/zinc/03/29/40/170032940.db2.gz	AECUAQZOHMRSSW-UHFFFAOYSA-N	-1	1	295.408	2.043	50	0		CEAAMM
O=S(=O)([N-]c1ccc2c[nH]nc2c1)c1ccccc1	ZINC000005827279	170144533	/nfs/dbraw/zinc/14/45/33/170144533.db2.gz	RTTZPLJQEYPLQB-UHFFFAOYSA-N	-1	1	273.317	2.364	50	0		CEAAMM
COc1cccc(Cn2c3c(c(=S)[n-]c2=O)CCC3)c1	ZINC000008737582	170353114	/nfs/dbraw/zinc/35/31/14/170353114.db2.gz	RPRCTCZBNPVPIY-UHFFFAOYSA-N	-1	1	288.372	2.451	50	0		CEAAMM
O=C(NC[C@H]1CCCOC1)c1ccc(Cl)cc1[O-]	ZINC000044352311	175166198	/nfs/dbraw/zinc/16/61/98/175166198.db2.gz	BERBZUHYQQPLQO-SECBINFHSA-N	-1	1	269.728	2.202	50	0		CEAAMM
Cn1ccnc1CN1CC[C@@H](c2ccccc2C(=O)[O-])C1	ZINC000072148177	176325978	/nfs/dbraw/zinc/32/59/78/176325978.db2.gz	RNTCXIHIAXMNLC-GFCCVEGCSA-N	-1	1	285.347	2.108	50	0		CEAAMM
COc1ccccc1C=CC=C1NC(=S)[N-]C1=O	ZINC000007208830	278045462	/nfs/dbraw/zinc/04/54/62/278045462.db2.gz	FRHCRUUERFYRHP-AGLLBGTNSA-N	-1	1	260.318	2.008	50	0		CEAAMM
CC(C)n1[n-]c(=O)c2c1NC(=O)C[C@H]2C(F)(F)F	ZINC000071279734	278119815	/nfs/dbraw/zinc/11/98/15/278119815.db2.gz	KKVOUTXTTZXHHL-RXMQYKEDSA-N	-1	1	263.219	2.395	50	0		CEAAMM
C[C@@H]1CN(CCC(=O)[O-])C[C@@H](c2ccc(F)cc2)O1	ZINC000237500573	288155438	/nfs/dbraw/zinc/15/54/38/288155438.db2.gz	KSZIQELDNOSZKV-MFKMUULPSA-N	-1	1	267.300	2.062	50	0		CEAAMM
O=c1cc(O)nc(SCCOc2ccc(Cl)cc2)[n-]1	ZINC000017086446	810665506	/nfs/dbraw/zinc/66/55/06/810665506.db2.gz	ZCBXMFRRIYRVPR-UHFFFAOYSA-N	-1	1	298.751	2.300	50	0		CEAAMM
O=C([O-])[C@H]1C[C@H]1C(=O)Nc1ccc2nc(C3CCC3)[nH]c2c1	ZINC000097017710	230386372	/nfs/dbraw/zinc/38/63/72/230386372.db2.gz	LZONXEDZYIRYCM-MNOVXSKESA-N	-1	1	299.330	2.490	50	0		CEAAMM
O=C(C=Cc1c(Cl)cccc1Cl)Nc1nnn[n-]1	ZINC000033311055	361776728	/nfs/dbraw/zinc/77/67/28/361776728.db2.gz	PVYJCVNNLUPQGI-PLNGDYQASA-N	-1	1	284.106	2.158	50	0		CEAAMM
O=C(C=Cc1c(Cl)cccc1Cl)Nc1nn[n-]n1	ZINC000033311055	361776734	/nfs/dbraw/zinc/77/67/34/361776734.db2.gz	PVYJCVNNLUPQGI-PLNGDYQASA-N	-1	1	284.106	2.158	50	0		CEAAMM
CC(C)(C)c1nc(CSc2nc(N)cc(=O)[n-]2)cs1	ZINC000037023928	361887502	/nfs/dbraw/zinc/88/75/02/361887502.db2.gz	VIFHFSCZGOSLHU-UHFFFAOYSA-N	-1	1	296.421	2.398	50	0		CEAAMM
CN(CC(F)F)C(=O)c1ccc(Br)cc1[O-]	ZINC000096486664	529851303	/nfs/dbraw/zinc/85/13/03/529851303.db2.gz	MQZBILMRRVCMKF-UHFFFAOYSA-N	-1	1	294.095	2.492	50	0		CEAAMM
C[C@H](C(=O)[O-])c1nc(-c2ccc(Br)cc2)n[nH]1	ZINC000075250421	343843295	/nfs/dbraw/zinc/84/32/95/343843295.db2.gz	LYZODJYPNREMPI-LURJTMIESA-N	-1	1	296.124	2.422	50	0		CEAAMM
C[C@H](C(=O)[O-])c1n[nH]c(-c2ccc(Br)cc2)n1	ZINC000075250421	343843298	/nfs/dbraw/zinc/84/32/98/343843298.db2.gz	LYZODJYPNREMPI-LURJTMIESA-N	-1	1	296.124	2.422	50	0		CEAAMM
CCCc1cc(=O)[n-]c(SCc2cc(C)on2)n1	ZINC000048345964	362259380	/nfs/dbraw/zinc/25/93/80/362259380.db2.gz	GEZWUXRNYPLHIF-UHFFFAOYSA-N	-1	1	265.338	2.311	50	0		CEAAMM
Cc1noc(C)c1CCCNC(=O)c1ccc([O-])cc1F	ZINC000164667077	344472807	/nfs/dbraw/zinc/47/28/07/344472807.db2.gz	UYXKQQQHCCAODL-UHFFFAOYSA-N	-1	1	292.310	2.499	50	0		CEAAMM
CN(Cc1cnccn1)C(=O)c1c([O-])cnc2ccccc21	ZINC000096466450	530016680	/nfs/dbraw/zinc/01/66/80/530016680.db2.gz	AMWIVJOPVQSFAX-UHFFFAOYSA-N	-1	1	294.314	2.003	50	0		CEAAMM
O=C(N[C@@H]1COc2ccccc2C1)c1ccc([O-])cc1F	ZINC000097046540	185513186	/nfs/dbraw/zinc/51/31/86/185513186.db2.gz	UXXWRBXVHYCREN-NSHDSACASA-N	-1	1	287.290	2.265	50	0		CEAAMM
O=C([O-])[C@H]1CCN(Cc2c(F)cccc2Cl)C1	ZINC000062133489	362710537	/nfs/dbraw/zinc/71/05/37/362710537.db2.gz	WWNWLGCXZQYUSE-QMMMGPOBSA-N	-1	1	257.692	2.386	50	0		CEAAMM
Cc1ncsc1CNC(=O)c1ccc([O-])cc1F	ZINC000154865224	188166197	/nfs/dbraw/zinc/16/61/97/188166197.db2.gz	AIWPEGWIEWGOBE-UHFFFAOYSA-N	-1	1	266.297	2.226	50	0		CEAAMM
O=C([O-])CCn1c(=O)c2[nH]c3ccccc3c2[nH]c1=S	ZINC000100020727	304064767	/nfs/dbraw/zinc/06/47/67/304064767.db2.gz	AHAQRBIYLAEAGY-UHFFFAOYSA-N	-1	1	289.316	2.015	50	0		CEAAMM
O=C([O-])c1cccnc1N1CCN(Cc2ccccc2)CC1	ZINC000013090334	295991226	/nfs/dbraw/zinc/99/12/26/295991226.db2.gz	AEDGEHFRJKMLTH-UHFFFAOYSA-N	-1	1	297.358	2.102	50	0		CEAAMM
Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1cc(C)ccc1F	ZINC000012588956	361391726	/nfs/dbraw/zinc/39/17/26/361391726.db2.gz	NKNVOOKPTIWJKM-UHFFFAOYSA-N	-1	1	297.355	2.285	50	0		CEAAMM
CCCCOc1ccc(Cc2n[n-]c(=S)n2N)cc1	ZINC000013132700	361419411	/nfs/dbraw/zinc/41/94/11/361419411.db2.gz	CFVACFHQAAUYNZ-UHFFFAOYSA-N	-1	1	278.381	2.424	50	0		CEAAMM
Cc1ccc(NC(=O)CN2CCC(C(=O)[O-])CC2)c(C)c1	ZINC000019774927	361551876	/nfs/dbraw/zinc/55/18/76/361551876.db2.gz	XEPLXZSUDKKPNW-UHFFFAOYSA-N	-1	1	290.363	2.039	50	0		CEAAMM
CCC[C@@H](NC(=O)c1ccc(C)cc1C)c1nn[n-]n1	ZINC000089949669	364022530	/nfs/dbraw/zinc/02/25/30/364022530.db2.gz	VCFYOQGYNMUYDP-GFCCVEGCSA-N	-1	1	273.340	2.088	50	0		CEAAMM
CC(C)(O)[C@H]1CCCN1C(=O)c1ccc(Cl)cc1[O-]	ZINC000092929775	364120031	/nfs/dbraw/zinc/12/00/31/364120031.db2.gz	VKVGATMXOLZCQZ-GFCCVEGCSA-N	-1	1	283.755	2.421	50	0		CEAAMM
CCC[C@@H](NC(=O)c1cc2ccccc2o1)c1nn[n-]n1	ZINC000095287760	364341979	/nfs/dbraw/zinc/34/19/79/364341979.db2.gz	IFNIREIELAEBKZ-SNVBAGLBSA-N	-1	1	285.307	2.217	50	0		CEAAMM
O=C(C=C([O-])C(=O)Nc1ccccc1)c1ccccc1	ZINC000100287877	364543662	/nfs/dbraw/zinc/54/36/62/364543662.db2.gz	HHVLEXTUQNMYOB-UHFFFAOYSA-N	-1	1	267.284	2.467	50	0		CEAAMM
CC(C)(C)C[C@H](CO)NC(=O)c1c(F)ccc([O-])c1F	ZINC000242273759	370786537	/nfs/dbraw/zinc/78/65/37/370786537.db2.gz	YFRSZAIAJWYZEB-MRVPVSSYSA-N	-1	1	287.306	2.197	50	0		CEAAMM
CS(=O)(=O)[N-]c1ccccc1Oc1ccncc1	ZINC000170084357	367375386	/nfs/dbraw/zinc/37/53/86/367375386.db2.gz	IVTPOIOSKARIDH-UHFFFAOYSA-N	-1	1	264.306	2.245	50	0		CEAAMM
Cn1c(Cl)cnc1CN1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-]	ZINC000227223816	370365054	/nfs/dbraw/zinc/36/50/54/370365054.db2.gz	ALPNXFMMNJRTHA-AXFHLTTASA-N	-1	1	297.786	2.291	50	0		CEAAMM
CC(C)c1cc(C(=O)N2CCCC[C@H]2CCC(=O)[O-])n[nH]1	ZINC000236883797	394488745	/nfs/dbraw/zinc/48/87/45/394488745.db2.gz	FRABVRIFYWEZSQ-NSHDSACASA-N	-1	1	293.367	2.393	50	0		CEAAMM
Cc1ccc(O)c(C2=NO[C@@]([O-])(C(F)(F)F)C2)c1	ZINC000013130406	292164492	/nfs/dbraw/zinc/16/44/92/292164492.db2.gz	UTWVWFQRBRRSBQ-SNVBAGLBSA-N	-1	1	261.199	2.076	50	0		CEAAMM
O=C1[N-]C(=S)SC1=Cc1ccc(N2CCOCC2)o1	ZINC000002216243	169781684	/nfs/dbraw/zinc/78/16/84/169781684.db2.gz	ROHUYWVKNOEEAL-VQHVLOKHSA-N	-1	1	296.373	2.445	50	0	aggregator	CEAAMM
O=c1cc(C(F)(F)F)nc(SCc2ccccn2)[n-]1	ZINC000005155113	170071146	/nfs/dbraw/zinc/07/11/46/170071146.db2.gz	UHDWQGLMGZIKJC-UHFFFAOYSA-N	-1	1	287.266	2.476	50	0		CEAAMM
CCn1c(=S)[n-]nc1[C@H](C)NC(=O)c1ccccc1	ZINC000005445081	170099709	/nfs/dbraw/zinc/09/97/09/170099709.db2.gz	JAJOQWVBNNXVIR-VIFPVBQESA-N	-1	1	276.365	2.452	50	0		CEAAMM
O=C([O-])CSc1nc(-c2ccc(Cl)cc2)n[nH]1	ZINC000005731161	170134443	/nfs/dbraw/zinc/13/44/43/170134443.db2.gz	CNJTUQCKXPMLJE-UHFFFAOYSA-N	-1	1	269.713	2.302	50	0		CEAAMM
NC(=O)c1cc(-c2csc(NC3CC3)n2)ccc1[O-]	ZINC000007274751	170276072	/nfs/dbraw/zinc/27/60/72/170276072.db2.gz	LXHVXCKCPLCTOD-UHFFFAOYSA-N	-1	1	275.333	2.189	50	0		CEAAMM
Cc1ccc2c(C)nc(Nc3nc(C)cc(=O)[n-]3)nc2c1	ZINC000009111401	170363977	/nfs/dbraw/zinc/36/39/77/170363977.db2.gz	PMJSZWUAOZHRJI-UHFFFAOYSA-N	-1	1	281.319	2.382	50	0		CEAAMM
COc1cccc(C=C(Sc2nc(C)n[nH]2)C(=O)[O-])c1	ZINC000009361377	170373653	/nfs/dbraw/zinc/37/36/53/170373653.db2.gz	AGOBIWMFKQLLQI-XFFZJAGNSA-N	-1	1	291.332	2.340	50	0		CEAAMM
COc1cccc(C=C(Sc2n[nH]c(C)n2)C(=O)[O-])c1	ZINC000009361377	170373654	/nfs/dbraw/zinc/37/36/54/170373654.db2.gz	AGOBIWMFKQLLQI-XFFZJAGNSA-N	-1	1	291.332	2.340	50	0		CEAAMM
Cc1ccc2[n-]cc(C(=O)c3ccncc3)c(=O)c2c1	ZINC000035528236	172243631	/nfs/dbraw/zinc/24/36/31/172243631.db2.gz	NFEVZHLTYMLJNO-UHFFFAOYSA-N	-1	1	264.284	2.463	50	0		CEAAMM
O=C1N[C@H](c2ccc([O-])c(Cl)c2)N2CCCC[C@@H]12	ZINC000076065158	304686149	/nfs/dbraw/zinc/68/61/49/304686149.db2.gz	CGLOJCFKEKCGHN-JQWIXIFHSA-N	-1	1	266.728	2.029	50	0		CEAAMM
CC(C)c1ncc(Cl)c(C(=O)[N-]c2nncs2)n1	ZINC000049423670	519875776	/nfs/dbraw/zinc/87/57/76/519875776.db2.gz	JCZYIGMSKPTTGS-UHFFFAOYSA-N	-1	1	283.744	2.357	50	0		CEAAMM
CCOC(=O)c1[nH]c2ccccc2c1[N-]S(=O)(=O)CC	ZINC000585138689	813699062	/nfs/dbraw/zinc/69/90/62/813699062.db2.gz	GZTSWLFRKJMYNR-UHFFFAOYSA-N	-1	1	296.348	2.106	50	0		CEAAMM
Cc1ccc(S(=O)(=O)[N-]c2ncccc2F)cc1F	ZINC000096496311	230384136	/nfs/dbraw/zinc/38/41/36/230384136.db2.gz	RPFVHIRXQVMBHT-UHFFFAOYSA-N	-1	1	284.287	2.469	50	0		CEAAMM
C[C@@H](OC[C@@H]1CCCO1)C(=O)Nc1c([O-])cccc1F	ZINC000095960410	185043146	/nfs/dbraw/zinc/04/31/46/185043146.db2.gz	UYFITOQBORMLQI-ZJUUUORDSA-N	-1	1	283.299	2.054	50	0		CEAAMM
Cc1nc(CSc2nc3c(c(=O)[n-]2)CCC3)cs1	ZINC000095990985	185058568	/nfs/dbraw/zinc/05/85/68/185058568.db2.gz	URIIVUKOGWHSKX-UHFFFAOYSA-N	-1	1	279.390	2.316	50	0		CEAAMM
Cc1nn(C)c(C)c1C=C1SC(=S)[N-]C1=O	ZINC000033294708	361776970	/nfs/dbraw/zinc/77/69/70/361776970.db2.gz	NYXUNUSKQCQQKJ-YWEYNIOJSA-N	-1	1	253.352	2.366	50	0		CEAAMM
O=c1c2ccccc2nc(NN=Cc2ccc(F)cc2)n1[O-]	ZINC000390825674	344838251	/nfs/dbraw/zinc/83/82/51/344838251.db2.gz	ZBTMZWGLTKPXGP-UHFFFAOYSA-N	-1	1	298.277	2.219	50	0		CEAAMM
Cc1cc(C(=O)[N-]c2nnc(-c3cc(C)oc3C)o2)no1	ZINC000056907274	362565434	/nfs/dbraw/zinc/56/54/34/362565434.db2.gz	QQUZOVMBBBRDHV-UHFFFAOYSA-N	-1	1	288.263	2.495	50	0		CEAAMM
CCO[C@H]1C[C@H](N(C)C(=O)c2ncccc2[O-])C12CCC2	ZINC000132174237	366123680	/nfs/dbraw/zinc/12/36/80/366123680.db2.gz	OMLOQLMDUNHTGQ-STQMWFEESA-N	-1	1	290.363	2.207	50	0		CEAAMM
COc1ccc(C)cc1NC(=O)[N-]C(=O)C(F)(F)F	ZINC000002141537	361229160	/nfs/dbraw/zinc/22/91/60/361229160.db2.gz	PUGMOGNULVCKTO-UHFFFAOYSA-N	-1	1	276.214	2.214	50	0		CEAAMM
Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)C(F)(F)F	ZINC000002505771	361236946	/nfs/dbraw/zinc/23/69/46/361236946.db2.gz	ZLCQGUINOMPKMH-VIFPVBQESA-N	-1	1	275.226	2.189	50	0		CEAAMM
O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@@H]2C(=O)N1c1ccc(Cl)cc1[O-]	ZINC000004162310	361302918	/nfs/dbraw/zinc/30/29/18/361302918.db2.gz	PFERZIBEWWSAGE-XXHBBNRNSA-N	-1	1	289.718	2.357	50	0		CEAAMM
CC(=O)Cc1nc(-c2ccc(F)cc2)nc(=S)[n-]1	ZINC000008329195	361341838	/nfs/dbraw/zinc/34/18/38/361341838.db2.gz	JIRAZHMNOYONTR-UHFFFAOYSA-N	-1	1	263.297	2.098	50	0		CEAAMM
O=C1c2c(O)cc([O-])cc2OC[C@@H]1Cc1ccc(O)cc1	ZINC000013327493	361425478	/nfs/dbraw/zinc/42/54/78/361425478.db2.gz	FIASLUPJXGTCKM-JTQLQIEISA-N	-1	1	286.283	2.237	50	0	endogenous,in-man	CEAAMM
Cc1cc(=O)[n-]c(SCC(=O)Nc2ccccc2C)n1	ZINC000013388660	361426163	/nfs/dbraw/zinc/42/61/63/361426163.db2.gz	HXYGPGBGEFXPNY-UHFFFAOYSA-N	-1	1	289.360	2.118	50	0		CEAAMM
O=C(Nc1nnn[n-]1)[C@@H]1C[C@@H]1c1ccc2ccccc2c1	ZINC000089878748	364012238	/nfs/dbraw/zinc/01/22/38/364012238.db2.gz	KBFXKOADVNAKOQ-CHWSQXEVSA-N	-1	1	279.303	2.095	50	0		CEAAMM
O=C(Nc1nn[n-]n1)[C@@H]1C[C@@H]1c1ccc2ccccc2c1	ZINC000089878748	364012244	/nfs/dbraw/zinc/01/22/44/364012244.db2.gz	KBFXKOADVNAKOQ-CHWSQXEVSA-N	-1	1	279.303	2.095	50	0		CEAAMM
CCC[C@@H](NC(=O)[C@@H](C)Cc1ccccc1)c1nn[n-]n1	ZINC000089949525	364021303	/nfs/dbraw/zinc/02/13/03/364021303.db2.gz	UVFSNJJMMPTPTE-WCQYABFASA-N	-1	1	287.367	2.036	50	0		CEAAMM
C[C@H]1CN(CCCC(=O)[O-])C[C@@H](c2ccsc2)O1	ZINC000240423802	370779218	/nfs/dbraw/zinc/77/92/18/370779218.db2.gz	FRBGXYYTQFQZQG-JQWIXIFHSA-N	-1	1	269.366	2.375	50	0		CEAAMM
CC(C)N(C[C@@H]1CCCCO1)C(=O)c1ncccc1[O-]	ZINC000097165527	364471797	/nfs/dbraw/zinc/47/17/97/364471797.db2.gz	MWFJRYAJQCDBIK-LBPRGKRZSA-N	-1	1	278.352	2.207	50	0		CEAAMM
CCc1c(C)[nH]n(-c2cc(C(=O)[O-])ccc2C)c1=O	ZINC000100002846	364538088	/nfs/dbraw/zinc/53/80/88/364538088.db2.gz	NRUQBVIWOQJLNB-UHFFFAOYSA-N	-1	1	260.293	2.455	50	0		CEAAMM
C[C@H](C[C@@H]1CCCO1)NC(=O)c1c([O-])cccc1F	ZINC000225394737	370290964	/nfs/dbraw/zinc/29/09/64/370290964.db2.gz	HFCBMTLAYHVLCT-ZJUUUORDSA-N	-1	1	267.300	2.219	50	0		CEAAMM
O=c1[n-]c(=S)[nH]c2c1[C@H](O)C=C(c1ccccc1)O2	ZINC000018009846	285379546	/nfs/dbraw/zinc/37/95/46/285379546.db2.gz	MRUKKFXDDZECDK-MRVPVSSYSA-N	-1	1	274.301	2.312	50	0		CEAAMM
Cc1cccnc1[N-]S(=O)(=O)Cc1cccc(F)c1	ZINC000089700596	394649906	/nfs/dbraw/zinc/64/99/06/394649906.db2.gz	ZFTYQKXNDIDSNJ-UHFFFAOYSA-N	-1	1	280.324	2.471	50	0		CEAAMM
COc1ccccc1C=C(Sc1nc(C)n[nH]1)C(=O)[O-]	ZINC000005072363	170064060	/nfs/dbraw/zinc/06/40/60/170064060.db2.gz	OXATXEXWROVPOY-XFFZJAGNSA-N	-1	1	291.332	2.340	50	0		CEAAMM
COc1ccccc1C=C(Sc1n[nH]c(C)n1)C(=O)[O-]	ZINC000005072363	170064061	/nfs/dbraw/zinc/06/40/61/170064061.db2.gz	OXATXEXWROVPOY-XFFZJAGNSA-N	-1	1	291.332	2.340	50	0		CEAAMM
CCCCCC(=O)Nc1nn2c([n-]1)nc(C)c(Cl)c2=O	ZINC000021171347	171298839	/nfs/dbraw/zinc/29/88/39/171298839.db2.gz	OKYYZBFSQFWPQW-UHFFFAOYSA-N	-1	1	297.746	2.311	50	0		CEAAMM
CCCCn1c2nnc([S-])n2c2ccsc2c1=O	ZINC000021729880	171321446	/nfs/dbraw/zinc/32/14/46/171321446.db2.gz	QGHXBPQTUHYQRN-UHFFFAOYSA-N	-1	1	280.378	2.195	50	0		CEAAMM
CC(C)CCn1nc(CNc2ccc(F)cc2)[n-]c1=O	ZINC000040284968	174219442	/nfs/dbraw/zinc/21/94/42/174219442.db2.gz	SCQICMYYKSYZJE-UHFFFAOYSA-N	-1	1	278.331	2.369	50	0		CEAAMM
COc1cc2c(cc1C=C1SC(=O)[N-]C1=O)O[C@H](C)C2	ZINC000096831481	277391093	/nfs/dbraw/zinc/39/10/93/277391093.db2.gz	ZNRWVGTWZUQCTM-LFKKQGMHSA-N	-1	1	291.328	2.343	50	0		CEAAMM
CN1CCN(c2ncccc2C(=O)[O-])[C@@H](c2ccccc2)C1	ZINC000020260839	290060022	/nfs/dbraw/zinc/06/00/22/290060022.db2.gz	HCVDLMUVEGPGGH-OAHLLOKOSA-N	-1	1	297.358	2.273	50	0		CEAAMM
O=C(CCCC1CCCCC1)N1CC[C@H](c2nn[n-]n2)C1	ZINC000952994777	642620786	/nfs/dbraw/zinc/62/07/86/642620786.db2.gz	OGDMHKZEWFQJOZ-ZDUSSCGKSA-N	-1	1	291.399	2.266	50	0		CEAAMM
C[C@H](c1nn[n-]n1)N(C)C(=O)c1ccc(C(F)(F)F)cc1	ZINC000584906802	813604142	/nfs/dbraw/zinc/60/41/42/813604142.db2.gz	ITGCFKJEGBNZNX-SSDOTTSWSA-N	-1	1	299.256	2.052	50	0		CEAAMM
COc1ccc([N-]S(=O)(=O)c2ccccc2C)cn1	ZINC000036078112	361826841	/nfs/dbraw/zinc/82/68/41/361826841.db2.gz	YOSUCWMJWWAHDI-UHFFFAOYSA-N	-1	1	278.333	2.199	50	0		CEAAMM
COC(=O)c1cc(C(=O)c2cc(C)ccc2[O-])c[nH]1	ZINC000005927231	343355497	/nfs/dbraw/zinc/35/54/97/343355497.db2.gz	CSGBWDFLXLSXGR-UHFFFAOYSA-N	-1	1	259.261	2.046	50	0		CEAAMM
O=C([O-])[C@H]1CCN(Cc2coc(-c3cccc(F)c3)n2)C1	ZINC000062133884	362709740	/nfs/dbraw/zinc/70/97/40/362709740.db2.gz	IFZRYZFYZPGLIZ-NSHDSACASA-N	-1	1	290.294	2.387	50	0		CEAAMM
c1nnc(C[N-]c2nc(C3CC3)no2)n1-c1ccccc1	ZINC000091430021	180153115	/nfs/dbraw/zinc/15/31/15/180153115.db2.gz	JHFOACNIWNZYQH-UHFFFAOYSA-N	-1	1	282.307	2.140	50	0		CEAAMM
O=C(NCc1ccco1)c1cc2ccc([O-])cc2oc1=O	ZINC000000147186	361134871	/nfs/dbraw/zinc/13/48/71/361134871.db2.gz	VSRQWJVOVDOTOW-UHFFFAOYSA-N	-1	1	285.255	2.022	50	0		CEAAMM
Cc1cccnc1[N-]S(=O)(=O)Cc1ccccc1	ZINC000000304151	361158764	/nfs/dbraw/zinc/15/87/64/361158764.db2.gz	RMWXTDKCZSEOOZ-UHFFFAOYSA-N	-1	1	262.334	2.332	50	0		CEAAMM
CCOC(=O)c1[n-]cnc1C(=O)Nc1ccc(C)cc1	ZINC000000381383	361168598	/nfs/dbraw/zinc/16/85/98/361168598.db2.gz	YLZFLAXCYHWLKH-UHFFFAOYSA-N	-1	1	273.292	2.147	50	0		CEAAMM
CCc1ccc([C@H](CC(=O)[O-])NC(=O)C(F)(F)F)cc1	ZINC000002505769	361236656	/nfs/dbraw/zinc/23/66/56/361236656.db2.gz	XYKUJXKRUCGXBX-JTQLQIEISA-N	-1	1	289.253	2.443	50	0		CEAAMM
COc1ccc(C(=O)NOCc2ccccc2)c([O-])c1	ZINC000010318540	361349597	/nfs/dbraw/zinc/34/95/97/361349597.db2.gz	ZEKTUWNXLIDFDO-UHFFFAOYSA-N	-1	1	273.288	2.262	50	0		CEAAMM
O=c1[nH]c2ccccc2nc1C=C([O-])c1cccs1	ZINC000013555321	361431113	/nfs/dbraw/zinc/43/11/13/361431113.db2.gz	QTHQCKXCYPEECX-UHFFFAOYSA-N	-1	1	270.313	2.410	50	0		CEAAMM
O=C(CSc1nccc(=O)[n-]1)c1ccccc1Cl	ZINC000015379134	361472684	/nfs/dbraw/zinc/47/26/84/361472684.db2.gz	UUDNFKHAHMIULS-UHFFFAOYSA-N	-1	1	280.736	2.398	50	0		CEAAMM
O=C(CSc1nccc(=O)[n-]1)c1ccc(Cl)s1	ZINC000015379098	361472959	/nfs/dbraw/zinc/47/29/59/361472959.db2.gz	YGSNDHAFNPBFKP-UHFFFAOYSA-N	-1	1	286.765	2.460	50	0		CEAAMM
CCc1cccc(OCCSc2nc(N)cc(=O)[n-]2)c1	ZINC000016527113	361491078	/nfs/dbraw/zinc/49/10/78/361491078.db2.gz	BAWSCHDYXIFDCN-UHFFFAOYSA-N	-1	1	291.376	2.086	50	0		CEAAMM
O=c1ccnc(SCc2cc3c(cc2Cl)OCO3)[n-]1	ZINC000020120545	361580944	/nfs/dbraw/zinc/58/09/44/361580944.db2.gz	GBJUDJHUPLCQNO-UHFFFAOYSA-N	-1	1	296.735	2.444	50	0		CEAAMM
O=C([O-])c1cc(NC2=NC(=O)CS2)ccc1Cl	ZINC000095470846	364388773	/nfs/dbraw/zinc/38/87/73/364388773.db2.gz	LRBFYKOSSAUYLV-UHFFFAOYSA-N	-1	1	270.697	2.080	50	0		CEAAMM
COCCN(C)[C@H](C(=O)[O-])c1cc(C)ccc1C	ZINC000095359589	364344654	/nfs/dbraw/zinc/34/46/54/364344654.db2.gz	IAAJKZQYBGDCPU-ZDUSSCGKSA-N	-1	1	251.326	2.007	50	0		CEAAMM
O=C(Nc1cnc(C2CC2)nc1)c1ccc([O-])cc1F	ZINC000097046567	364432143	/nfs/dbraw/zinc/43/21/43/364432143.db2.gz	ZOTFXCHXSHXFQD-UHFFFAOYSA-N	-1	1	273.267	2.451	50	0		CEAAMM
C[C@@H](NC(=O)c1cnc(C2CC2)[n-]c1=O)C1=CCCCC1	ZINC000097346799	364492660	/nfs/dbraw/zinc/49/26/60/364492660.db2.gz	XJYIQJCNQJJNKF-SNVBAGLBSA-N	-1	1	287.363	2.266	50	0		CEAAMM
COC(=O)c1c[n-]c(SCCc2scnc2C)n1	ZINC000193538734	369952753	/nfs/dbraw/zinc/95/27/53/369952753.db2.gz	HONVHSMTUCTDPV-UHFFFAOYSA-N	-1	1	283.378	2.296	50	0		CEAAMM
CCCC[C@H](CC(=O)[O-])NC(=O)c1[nH]nc(C)c1Cl	ZINC000426667340	377427999	/nfs/dbraw/zinc/42/79/99/377427999.db2.gz	AJXJMNPPNPAYJY-MRVPVSSYSA-N	-1	1	287.747	2.135	50	0		CEAAMM
Cc1nc(N)[n-]c(=O)c1Oc1ccc(Cl)cc1	ZINC000013469619	394464650	/nfs/dbraw/zinc/46/46/50/394464650.db2.gz	UXUUOWNZNMSPRQ-UHFFFAOYSA-N	-1	1	251.673	2.106	50	0		CEAAMM
Cn1[n-]c(C2CCC2)c(-c2ccc3c(c2)OCO3)c1=N	ZINC000103161194	400257359	/nfs/dbraw/zinc/25/73/59/400257359.db2.gz	MFGKBWPMULPHEJ-UHFFFAOYSA-N	-1	1	271.320	2.496	50	0		CEAAMM
CC(=O)N1C(=S)[N-]C(=O)C1=Cc1ccc(C(C)C)cc1	ZINC000103431443	400257197	/nfs/dbraw/zinc/25/71/97/400257197.db2.gz	VLVNLHFWENKEAR-JYRVWZFOSA-N	-1	1	288.372	2.414	50	0		CEAAMM
C[C@]12CC3CC(C(=O)Nc4nnn[n-]4)(C1)C[C@@](C)(C3)C2	ZINC000005005598	170054399	/nfs/dbraw/zinc/05/43/99/170054399.db2.gz	GOFLHXNKRADRJU-HJHQOWQESA-N	-1	1	275.356	2.135	50	0		CEAAMM
C[C@]12CC3CC(C(=O)Nc4nn[n-]n4)(C1)C[C@@](C)(C3)C2	ZINC000005005598	170054401	/nfs/dbraw/zinc/05/44/01/170054401.db2.gz	GOFLHXNKRADRJU-HJHQOWQESA-N	-1	1	275.356	2.135	50	0		CEAAMM
CCc1cc(=O)[n-]c(SCC(=O)Nc2ccccc2)n1	ZINC000005154910	170071239	/nfs/dbraw/zinc/07/12/39/170071239.db2.gz	PVOPVQJZXBTBMX-UHFFFAOYSA-N	-1	1	289.360	2.063	50	0		CEAAMM
CS(=O)(=O)[N-]c1ccc(C=Cc2ccccc2)cn1	ZINC000067727236	175787932	/nfs/dbraw/zinc/78/79/32/175787932.db2.gz	OYNIKBMDCZMXLK-BQYQJAHWSA-N	-1	1	274.345	2.045	50	0		CEAAMM
CCCc1c(C)[nH]c2nn(-c3ccccc3)c(=O)c-2c1[O-]	ZINC000018223167	276054438	/nfs/dbraw/zinc/05/44/38/276054438.db2.gz	XFEPXOOKKOPLNY-UHFFFAOYSA-N	-1	1	283.331	2.268	50	0		CEAAMM
NNc1nc2c(c(=O)[n-]1)C1(CCCC1)Cc1ccccc1-2	ZINC000018106034	295280056	/nfs/dbraw/zinc/28/00/56/295280056.db2.gz	GSKOQLHNGFEFNY-UHFFFAOYSA-N	-1	1	282.347	2.090	50	0		CEAAMM
CSCC[C@H](C)N(C)C(=O)c1ncccc1[O-]	ZINC000128435064	187370181	/nfs/dbraw/zinc/37/01/81/187370181.db2.gz	PAOUCULQVLGJGG-VIFPVBQESA-N	-1	1	254.355	2.001	50	0		CEAAMM
COC(=O)C[C@@H](c1ccsc1)c1c(C)[n-][nH]c1=O	ZINC000079491313	363609142	/nfs/dbraw/zinc/60/91/42/363609142.db2.gz	VAFRGWLWZORIKA-VIFPVBQESA-N	-1	1	266.322	2.180	50	0		CEAAMM
O=C(N=C([O-])Nc1ccccc1OC(F)F)C(F)(F)F	ZINC000000045405	361121534	/nfs/dbraw/zinc/12/15/34/361121534.db2.gz	UYLVXXQCYBKKGO-UHFFFAOYSA-N	-1	1	298.167	2.498	50	0		CEAAMM
O=C([N-]C(=O)C(F)(F)F)Nc1ccccc1OC(F)F	ZINC000000045405	361121539	/nfs/dbraw/zinc/12/15/39/361121539.db2.gz	UYLVXXQCYBKKGO-UHFFFAOYSA-N	-1	1	298.167	2.498	50	0		CEAAMM
O=C([N-]C(=O)C(F)(F)F)Nc1ccc(F)cc1F	ZINC000000081875	361125427	/nfs/dbraw/zinc/12/54/27/361125427.db2.gz	QYKRBQCPIQXGSE-UHFFFAOYSA-N	-1	1	268.141	2.175	50	0		CEAAMM
CCCC(=O)OCc1cc(=O)oc2cc([O-])ccc12	ZINC000010529991	361353021	/nfs/dbraw/zinc/35/30/21/361353021.db2.gz	JWBRBRJVWQVFEO-UHFFFAOYSA-N	-1	1	262.261	2.342	50	0		CEAAMM
Nc1cc(=O)[n-]c(SCCOc2ccc(Cl)cc2)n1	ZINC000018285938	361518876	/nfs/dbraw/zinc/51/88/76/361518876.db2.gz	UWCKGCIPNVFITE-UHFFFAOYSA-N	-1	1	297.767	2.177	50	0		CEAAMM
Cc1ccnc([N-]S(=O)(=O)Cc2ccc(F)cc2)c1	ZINC000084250879	363804347	/nfs/dbraw/zinc/80/43/47/363804347.db2.gz	DLUGYDZIKNCXRV-UHFFFAOYSA-N	-1	1	280.324	2.471	50	0		CEAAMM
O=C(NC[C@H]1CCOc2ccccc21)c1cncc([O-])c1	ZINC000095395272	364356702	/nfs/dbraw/zinc/35/67/02/364356702.db2.gz	LAYBZKMJZSYVLT-LLVKDONJSA-N	-1	1	284.315	2.083	50	0		CEAAMM
Cc1cc(S(=O)(=O)[N-]c2[nH]nc(C)c2C)c(C)o1	ZINC000095463659	364386553	/nfs/dbraw/zinc/38/65/53/364386553.db2.gz	MKXWPMJXVFKZTN-UHFFFAOYSA-N	-1	1	269.326	2.037	50	0		CEAAMM
Cc1cccc2nc(C[N-]C(=O)C(F)(F)C(F)F)cn21	ZINC000176592005	368250214	/nfs/dbraw/zinc/25/02/14/368250214.db2.gz	QLKUWYAVVAFXAE-UHFFFAOYSA-N	-1	1	289.232	2.159	50	0		CEAAMM
C[C@@H](C[C@H]1CCCO1)NC(=O)c1c([O-])cccc1F	ZINC000225394853	370290986	/nfs/dbraw/zinc/29/09/86/370290986.db2.gz	HFCBMTLAYHVLCT-VHSXEESVSA-N	-1	1	267.300	2.219	50	0		CEAAMM
CCn1cc([N-]S(=O)(=O)Cc2ccccc2Cl)cn1	ZINC000252490019	371445911	/nfs/dbraw/zinc/44/59/11/371445911.db2.gz	KHMRNUZHIVHVIT-UHFFFAOYSA-N	-1	1	299.783	2.498	50	0		CEAAMM
O=C(c1ncccc1[O-])N1CCS[C@H]2CCCC[C@H]21	ZINC000097102412	296306116	/nfs/dbraw/zinc/30/61/16/296306116.db2.gz	WSHQTTULAVNGNE-PWSUYJOCSA-N	-1	1	278.377	2.287	50	0		CEAAMM
COCC1(CNC(=O)c2cc(F)ccc2[O-])CCC1	ZINC000281960234	195450854	/nfs/dbraw/zinc/45/08/54/195450854.db2.gz	DNIPKYSIKAIWGY-UHFFFAOYSA-N	-1	1	267.300	2.078	50	0		CEAAMM
CC1(C)C[C@@H](c2c(N)[nH]c(=S)[n-]c2=O)CCS1	ZINC000005625272	170121408	/nfs/dbraw/zinc/12/14/08/170121408.db2.gz	OOLKKTWUZHXEHG-LURJTMIESA-N	-1	1	271.411	2.404	50	0		CEAAMM
Cc1nc(SCC(=O)[O-])[nH]c(=O)c1Oc1ccccc1	ZINC000009691993	170384510	/nfs/dbraw/zinc/38/45/10/170384510.db2.gz	GPUYBURCZBGWDS-UHFFFAOYSA-N	-1	1	292.316	2.460	50	0		CEAAMM
CCn1c(CNC(=O)CCc2ccsc2)n[n-]c1=S	ZINC000071846986	176275798	/nfs/dbraw/zinc/27/57/98/176275798.db2.gz	KVENCKNDDGXFBD-UHFFFAOYSA-N	-1	1	296.421	2.271	50	0		CEAAMM
Cc1nnc([N-]C(=O)c2c(F)cccc2F)s1	ZINC000004072384	230368605	/nfs/dbraw/zinc/36/86/05/230368605.db2.gz	YLQLFBCXGSBKDK-UHFFFAOYSA-N	-1	1	255.249	2.377	50	0		CEAAMM
COC(=O)C[C@@H](c1c(C)[n-][nH]c1=O)c1ccc(F)c(F)c1	ZINC000095473570	184995699	/nfs/dbraw/zinc/99/56/99/184995699.db2.gz	VPGNFFZEQZOHCS-SECBINFHSA-N	-1	1	296.273	2.397	50	0		CEAAMM
CCOC(=O)c1nc(Br)[n-]c1C(F)(F)F	ZINC000095831121	185029656	/nfs/dbraw/zinc/02/96/56/185029656.db2.gz	VHSMVVWMAHWZER-UHFFFAOYSA-N	-1	1	287.035	2.368	50	0		CEAAMM
CCCS(=O)(=O)[N-]c1cc(-c2ccsc2)[nH]n1	ZINC000095990496	185057757	/nfs/dbraw/zinc/05/77/57/185057757.db2.gz	BZDPYVAHSQLNEG-UHFFFAOYSA-N	-1	1	271.367	2.290	50	0		CEAAMM
O=S(=O)(CCC1CC1)[N-]c1ccc(Cl)cn1	ZINC000095995757	185060761	/nfs/dbraw/zinc/06/07/61/185060761.db2.gz	SVHIAABRHOTGLL-UHFFFAOYSA-N	-1	1	260.746	2.277	50	0		CEAAMM
CC(=O)n1cc(-n2[n-]c(C)cc2=O)c2ccccc21	ZINC000022341846	343379282	/nfs/dbraw/zinc/37/92/82/343379282.db2.gz	ONEMBJVILIXZIP-UHFFFAOYSA-N	-1	1	255.277	2.414	50	0		CEAAMM
Clc1ccc([C@H](c2nnn[n-]2)c2ccccn2)cc1	ZINC000095251452	344236542	/nfs/dbraw/zinc/23/65/42/344236542.db2.gz	RUSVCKZSQRKHKW-LBPRGKRZSA-N	-1	1	271.711	2.428	50	0		CEAAMM
Clc1ccc([C@H](c2nn[n-]n2)c2ccccn2)cc1	ZINC000095251452	344236545	/nfs/dbraw/zinc/23/65/45/344236545.db2.gz	RUSVCKZSQRKHKW-LBPRGKRZSA-N	-1	1	271.711	2.428	50	0		CEAAMM
CCc1ccc(C(=O)NCc2n[n-]c(=S)n2CC)o1	ZINC000069894033	363012552	/nfs/dbraw/zinc/01/25/52/363012552.db2.gz	YPSJTAHUOPFJDD-UHFFFAOYSA-N	-1	1	280.353	2.046	50	0		CEAAMM
CCO[C@H]1C[C@@H](N(C)C(=O)c2ncccc2[O-])C12CCC2	ZINC000132174638	366123842	/nfs/dbraw/zinc/12/38/42/366123842.db2.gz	OMLOQLMDUNHTGQ-OLZOCXBDSA-N	-1	1	290.363	2.207	50	0		CEAAMM
Cn1ccc2c1nccc2-c1nc(C(F)(F)F)n[nH]1	ZINC000077343577	363546577	/nfs/dbraw/zinc/54/65/77/363546577.db2.gz	SNMVDBDKQWODDN-UHFFFAOYSA-N	-1	1	267.214	2.377	50	0		CEAAMM
CC(C)n1c(CCNC(=O)CC2CCC2)n[n-]c1=S	ZINC000080173393	363645789	/nfs/dbraw/zinc/64/57/89/363645789.db2.gz	BQURVHJTPQCPIO-UHFFFAOYSA-N	-1	1	282.413	2.370	50	0		CEAAMM
CCc1ccccc1NC(=O)[N-]C(=O)C(F)(F)F	ZINC000000081870	361125382	/nfs/dbraw/zinc/12/53/82/361125382.db2.gz	HAZIEICDNJHDRZ-UHFFFAOYSA-N	-1	1	260.215	2.459	50	0		CEAAMM
CCc1ccccc1NC([O-])=NC(=O)C(F)(F)F	ZINC000000081870	361125387	/nfs/dbraw/zinc/12/53/87/361125387.db2.gz	HAZIEICDNJHDRZ-UHFFFAOYSA-N	-1	1	260.215	2.459	50	0		CEAAMM
COc1ccc(C(=O)c2ccccc2C(=O)[O-])c(O)c1	ZINC000000394736	361169135	/nfs/dbraw/zinc/16/91/35/361169135.db2.gz	JLZIIHMTTRXXIN-UHFFFAOYSA-N	-1	1	272.256	2.330	50	0		CEAAMM
COc1ccc(OCC(=O)c2c(O)cc([O-])cc2O)cc1	ZINC000000405385	361170222	/nfs/dbraw/zinc/17/02/22/361170222.db2.gz	QLLVOARUJQIBCX-UHFFFAOYSA-N	-1	1	290.271	2.074	50	0		CEAAMM
COCCn1c(-c2ccccc2F)n[n-]c1=S	ZINC000002841031	361253577	/nfs/dbraw/zinc/25/35/77/361253577.db2.gz	NNJDECPUMZGNGF-UHFFFAOYSA-N	-1	1	253.302	2.393	50	0		CEAAMM
Cc1ccccc1C(=O)Nc1nc2c(c(=O)[n-]1)CCCC2	ZINC000004003056	361295928	/nfs/dbraw/zinc/29/59/28/361295928.db2.gz	CYWLYXIGXQKTLI-UHFFFAOYSA-N	-1	1	283.331	2.209	50	0		CEAAMM
O=C(NCCc1ccccn1)c1cc(Cl)ccc1[O-]	ZINC000013208022	361423393	/nfs/dbraw/zinc/42/33/93/361423393.db2.gz	FPLHEFZFFBKKSV-UHFFFAOYSA-N	-1	1	276.723	2.413	50	0		CEAAMM
Cc1ccc2nc(Nc3nc(C)cc(=O)[n-]3)nc(C)c2c1	ZINC000013756174	361440549	/nfs/dbraw/zinc/44/05/49/361440549.db2.gz	QMIANWDWSUAWRY-UHFFFAOYSA-N	-1	1	281.319	2.382	50	0		CEAAMM
Cc1cc(=O)[n-]c(S[C@H](C)C(=O)NC2CCCCC2)n1	ZINC000018137623	361515776	/nfs/dbraw/zinc/51/57/76/361515776.db2.gz	HPAGZVDIYUPGPD-SNVBAGLBSA-N	-1	1	295.408	2.008	50	0		CEAAMM
O=C([O-])CC[C@H]1CCCN(C(=O)c2cc(C3CC3)[nH]n2)C1	ZINC000238017982	370766950	/nfs/dbraw/zinc/76/69/50/370766950.db2.gz	UVCODYOCSRZELZ-SNVBAGLBSA-N	-1	1	291.351	2.004	50	0		CEAAMM
Cc1ccc(CN(C)Cc2cnn(CCC(=O)[O-])c2)s1	ZINC000097797317	364518955	/nfs/dbraw/zinc/51/89/55/364518955.db2.gz	IYNKDZOKOZVUIQ-UHFFFAOYSA-N	-1	1	293.392	2.360	50	0		CEAAMM
N=c1[n-]nc(C2CCN(Cc3cccc(F)c3)CC2)o1	ZINC000585116310	367178639	/nfs/dbraw/zinc/17/86/39/367178639.db2.gz	QCHSIXCTBHDVPP-UHFFFAOYSA-N	-1	1	276.315	2.001	50	0		CEAAMM
O=C(NCC[C@H](O)c1ccccc1)c1ccc([O-])cc1F	ZINC000164242576	367281662	/nfs/dbraw/zinc/28/16/62/367281662.db2.gz	KLZZNFCOVQRQDX-HNNXBMFYSA-N	-1	1	289.306	2.385	50	0		CEAAMM
COCCCSc1nc(C(F)(F)F)cc(=O)[n-]1	ZINC000096411930	394682539	/nfs/dbraw/zinc/68/25/39/394682539.db2.gz	BUJIZYGFLWHYCS-UHFFFAOYSA-N	-1	1	268.260	2.330	50	0		CEAAMM
CCOc1ccc(NC(=O)Cc2n[n-]c(=S)n2C)cc1	ZINC000004739103	170008272	/nfs/dbraw/zinc/00/82/72/170008272.db2.gz	JGFFHPTYARQUJH-UHFFFAOYSA-N	-1	1	292.364	2.058	50	0		CEAAMM
COc1ccc(CSc2nc(C)cc(=O)[n-]2)cc1	ZINC000008670459	170344620	/nfs/dbraw/zinc/34/46/20/170344620.db2.gz	XMFWHLZTTUUQHL-UHFFFAOYSA-N	-1	1	262.334	2.379	50	0	in-vivo	CEAAMM
COc1ccc(C=C(Sc2nc(C)n[nH]2)C(=O)[O-])cc1	ZINC000009329045	170372393	/nfs/dbraw/zinc/37/23/93/170372393.db2.gz	HFDDPJHKIISNQP-XFFZJAGNSA-N	-1	1	291.332	2.340	50	0		CEAAMM
COc1ccc(C=C(Sc2n[nH]c(C)n2)C(=O)[O-])cc1	ZINC000009329045	170372394	/nfs/dbraw/zinc/37/23/94/170372394.db2.gz	HFDDPJHKIISNQP-XFFZJAGNSA-N	-1	1	291.332	2.340	50	0		CEAAMM
Cc1nnc(SC(=Cc2cccs2)C(=O)[O-])[nH]1	ZINC000009411648	170376149	/nfs/dbraw/zinc/37/61/49/170376149.db2.gz	SQLPXTABTULZKG-VMPITWQZSA-N	-1	1	267.335	2.392	50	0		CEAAMM
Cc1nc(SC(=Cc2cccs2)C(=O)[O-])n[nH]1	ZINC000009411648	170376150	/nfs/dbraw/zinc/37/61/50/170376150.db2.gz	SQLPXTABTULZKG-VMPITWQZSA-N	-1	1	267.335	2.392	50	0		CEAAMM
COC(=O)c1sc2[n-]c(-c3ccco3)nc(=O)c2c1C	ZINC000047682217	277456415	/nfs/dbraw/zinc/45/64/15/277456415.db2.gz	DDVLXELMPFFPGM-UHFFFAOYSA-N	-1	1	290.300	2.340	50	0		CEAAMM
Cc1[n-]n(-c2ccccc2)c(=O)c1C(=O)C(F)(F)F	ZINC000100046836	278511221	/nfs/dbraw/zinc/51/12/21/278511221.db2.gz	VXIIAPOORVGKBU-SECBINFHSA-N	-1	1	270.210	2.157	50	0		CEAAMM
Cc1cnn(CCc2n[n-]c(=S)n2CC(C)C)c1	ZINC000002789648	279033949	/nfs/dbraw/zinc/03/39/49/279033949.db2.gz	WKIBOUPAXJHSEH-UHFFFAOYSA-N	-1	1	265.386	2.344	50	0		CEAAMM
Cn1cc(C(=O)Nc2ccncc2[O-])c(C(C)(C)C)n1	ZINC000097237526	279333395	/nfs/dbraw/zinc/33/33/95/279333395.db2.gz	QKXUFQYYLIJGML-UHFFFAOYSA-N	-1	1	274.324	2.071	50	0		CEAAMM
NC(=O)c1cc2ccc([O-])cc2o/c1=N\c1ccccc1	ZINC000000190451	295174805	/nfs/dbraw/zinc/17/48/05/295174805.db2.gz	HWFCJTQLOXHQHQ-VLGSPTGOSA-N	-1	1	280.283	2.470	50	0		CEAAMM
Cc1cnn([C@H](C)CNC(=O)c2ccc([O-])c(F)c2)c1	ZINC000534642206	328328850	/nfs/dbraw/zinc/32/88/50/328328850.db2.gz	QGGYYIGLWQAXIS-SNVBAGLBSA-N	-1	1	277.299	2.027	50	0		CEAAMM
O=[P@]([O-])(O)Cc1c(F)c(F)c(F)c(F)c1F	ZINC000034474767	361791469	/nfs/dbraw/zinc/79/14/69/361791469.db2.gz	NTUQIHXUWNQRPZ-UHFFFAOYSA-N	-1	1	262.070	2.060	50	0		CEAAMM
O=C([O-])[C@H]1CCCN(Cc2cn3cc(Cl)ccc3n2)C1	ZINC000035083953	361808369	/nfs/dbraw/zinc/80/83/69/361808369.db2.gz	GRXMTEBBNNOHOG-JTQLQIEISA-N	-1	1	293.754	2.284	50	0		CEAAMM
Cc1c(C(=O)Nc2ccncc2[O-])cnn1C(C)(C)C	ZINC000170593642	344485345	/nfs/dbraw/zinc/48/53/45/344485345.db2.gz	CLPUSCYPETZDKK-UHFFFAOYSA-N	-1	1	274.324	2.299	50	0		CEAAMM
COC(=O)[C@H](CC(C)C)N(C)C(=O)c1ccc([O-])c(F)c1	ZINC000590458989	345136522	/nfs/dbraw/zinc/13/65/22/345136522.db2.gz	IHWAVKBHARNFQA-LBPRGKRZSA-N	-1	1	297.326	2.191	50	0		CEAAMM
O=C(Cc1c[nH]c2ccccc12)[N-]O[C@H]1CCCCO1	ZINC000058329843	362623085	/nfs/dbraw/zinc/62/30/85/362623085.db2.gz	YARFFRFZSYRRTI-HNNXBMFYSA-N	-1	1	274.320	2.285	50	0		CEAAMM
CCC[C@@H]1COCCN1Cc1ccc(C(=O)[O-])cc1	ZINC000065408816	362819063	/nfs/dbraw/zinc/81/90/63/362819063.db2.gz	RPTSFWZXNZEQJL-CQSZACIVSA-N	-1	1	263.337	2.386	50	0		CEAAMM
CCOC(=O)[C@H]1CCCCN1C(=O)c1cc(F)ccc1[O-]	ZINC000132869185	366176647	/nfs/dbraw/zinc/17/66/47/366176647.db2.gz	GLDPDKYKAIFEKF-GFCCVEGCSA-N	-1	1	295.310	2.089	50	0		CEAAMM
Cc1cccc(-c2nnc([N-]C(=O)c3ccco3)o2)n1	ZINC000075154656	363444125	/nfs/dbraw/zinc/44/41/25/363444125.db2.gz	XFZKYFJVEVHACC-UHFFFAOYSA-N	-1	1	270.248	2.285	50	0		CEAAMM
Cc1cc(=O)[n-]c(S[C@H](C)C(=O)Nc2ccccc2)n1	ZINC000000798422	361192667	/nfs/dbraw/zinc/19/26/67/361192667.db2.gz	NHVPZMSBQBEXNV-SNVBAGLBSA-N	-1	1	289.360	2.198	50	0		CEAAMM
CC(C)COc1ccccc1/C=C1\NC(=S)[N-]C1=O	ZINC000004093703	361300117	/nfs/dbraw/zinc/30/01/17/361300117.db2.gz	RTKSITHDQLBMQQ-XFFZJAGNSA-N	-1	1	276.361	2.067	50	0		CEAAMM
Cc1ccc(O)c(Nc2nc3c(c(=O)[n-]2)CCCC3)c1	ZINC000011991464	361371719	/nfs/dbraw/zinc/37/17/19/361371719.db2.gz	SHNHDGUEGMSCNZ-UHFFFAOYSA-N	-1	1	271.320	2.406	50	0		CEAAMM
COc1ccc(C=C2SC(=O)[N-]C2=O)c(OC)c1	ZINC000013060561	361418092	/nfs/dbraw/zinc/41/80/92/361418092.db2.gz	FVXJTXWHZJSCSP-YHYXMXQVSA-N	-1	1	265.290	2.028	50	0		CEAAMM
CCc1ccccc1OCCSc1nc(N)cc(=O)[n-]1	ZINC000016489782	361489273	/nfs/dbraw/zinc/48/92/73/361489273.db2.gz	QOOGIHUDUCHJHA-UHFFFAOYSA-N	-1	1	291.376	2.086	50	0		CEAAMM
COc1ccc(C(=O)Nc2ccc3c(c2)OCO3)c([O-])c1	ZINC000019967243	361571484	/nfs/dbraw/zinc/57/14/84/361571484.db2.gz	QRDSKNRIUUVXBX-UHFFFAOYSA-N	-1	1	287.271	2.382	50	0		CEAAMM
O=S(=O)([N-]c1cc(C2CCCC2)n[nH]1)c1cccnc1	ZINC000089794093	364003094	/nfs/dbraw/zinc/00/30/94/364003094.db2.gz	VXCHDHADMCNAPA-UHFFFAOYSA-N	-1	1	292.364	2.263	50	0		CEAAMM
O=C(Nc1ncn(C2CCCCC2)n1)c1cncc([O-])c1	ZINC000097108307	364453356	/nfs/dbraw/zinc/45/33/56/364453356.db2.gz	CEYORJIMHCCZKW-UHFFFAOYSA-N	-1	1	287.323	2.136	50	0		CEAAMM
COC(C)(C)CS(=O)(=O)[N-]c1cccc(Cl)c1O	ZINC000253426650	371521616	/nfs/dbraw/zinc/52/16/16/371521616.db2.gz	IBNFJJMMUFBVPN-UHFFFAOYSA-N	-1	1	293.772	2.212	50	0		CEAAMM
O=C1[N-]C(=O)/C(=C/c2ccc(Cl)c(Cl)c2)N1	ZINC000014010034	284857277	/nfs/dbraw/zinc/85/72/77/284857277.db2.gz	JFYMAONZMAOSPO-YWEYNIOJSA-N	-1	1	257.076	2.174	50	0		CEAAMM
C[C@H]1CC(CNC(=O)c2cc(F)ccc2[O-])C[C@H](C)O1	ZINC000281789386	195381472	/nfs/dbraw/zinc/38/14/72/195381472.db2.gz	VMVSOOQVUHBVCZ-UWVGGRQHSA-N	-1	1	281.327	2.465	50	0		CEAAMM
C[C@@H]1C[C@@H](CNC(=O)c2cc(F)ccc2[O-])C[C@H](C)O1	ZINC000281789375	195381920	/nfs/dbraw/zinc/38/19/20/195381920.db2.gz	VMVSOOQVUHBVCZ-JGPRNRPPSA-N	-1	1	281.327	2.465	50	0		CEAAMM
Cc1ccc(-n2c(C)cc3c(c2=O)C(=S)[N-]C3=O)c(C)c1	ZINC000006008942	292035411	/nfs/dbraw/zinc/03/54/11/292035411.db2.gz	FXVRPXVRISVNFR-UHFFFAOYSA-N	-1	1	298.367	2.182	50	0		CEAAMM
CCn1c(CC(=O)Nc2ccccc2)n[n-]c1=S	ZINC000005445054	170099738	/nfs/dbraw/zinc/09/97/38/170099738.db2.gz	VXNPZZBIIOIOQV-UHFFFAOYSA-N	-1	1	262.338	2.142	50	0		CEAAMM
CCn1c(CC(=O)Nc2ccc(C)cc2)n[n-]c1=S	ZINC000005445053	170099947	/nfs/dbraw/zinc/09/99/47/170099947.db2.gz	ZBMQKPMRBJKKKA-UHFFFAOYSA-N	-1	1	276.365	2.450	50	0		CEAAMM
COc1ccccc1Nc1nc2c(c(=O)[n-]1)CCCC2	ZINC000011991432	170465424	/nfs/dbraw/zinc/46/54/24/170465424.db2.gz	LEBMEVNRFDPARD-UHFFFAOYSA-N	-1	1	271.320	2.401	50	0		CEAAMM
O=C1[N-]C(=S)SC1=C1C(=O)Nc2ccccc21	ZINC000016524095	280303402	/nfs/dbraw/zinc/30/34/02/280303402.db2.gz	XPEAIZNYDZKSOI-BQYQJAHWSA-N	-1	1	262.315	2.338	50	0		CEAAMM
Cc1cc(C(=O)[N-]c2n[nH]c(-c3ccc(C)s3)n2)on1	ZINC000058281309	280373329	/nfs/dbraw/zinc/37/33/29/280373329.db2.gz	JKPGEHKQHLONMS-UHFFFAOYSA-N	-1	1	289.320	2.390	50	0		CEAAMM
O=C([O-])c1cccc(CN2CC[C@@H](Oc3ccccc3)C2)n1	ZINC000534661198	328349255	/nfs/dbraw/zinc/34/92/55/328349255.db2.gz	YDLLNIULXDQEMJ-OAHLLOKOSA-N	-1	1	298.342	2.433	50	0		CEAAMM
O=C([O-])[C@H]1C[C@@H]1C(=O)Nc1ccc2nc(C3CCC3)[nH]c2c1	ZINC000097017712	534539963	/nfs/dbraw/zinc/53/99/63/534539963.db2.gz	LZONXEDZYIRYCM-QWRGUYRKSA-N	-1	1	299.330	2.490	50	0		CEAAMM
Cc1cccc2c(CNCc3n[nH]c(=O)[n-]3)cccc12	ZINC000952867825	815078081	/nfs/dbraw/zinc/07/80/81/815078081.db2.gz	SJAWSWMCSXIRCZ-UHFFFAOYSA-N	-1	1	268.320	2.262	50	0		CEAAMM
CCC([O-])=C1C(=O)CC(C)(C)[C@@H](c2cc(C)no2)C1=O	ZINC000102785158	344251665	/nfs/dbraw/zinc/25/16/65/344251665.db2.gz	YNZPZAVFSMVKPA-OLZOCXBDSA-N	-1	1	277.320	2.230	50	0		CEAAMM
CCC(=O)C1=C([O-])CC(C)(C)[C@@H](c2cc(C)no2)C1=O	ZINC000102785158	344251667	/nfs/dbraw/zinc/25/16/67/344251667.db2.gz	YNZPZAVFSMVKPA-OLZOCXBDSA-N	-1	1	277.320	2.230	50	0		CEAAMM
CC(C)C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1	ZINC000055315307	362548370	/nfs/dbraw/zinc/54/83/70/362548370.db2.gz	MKKLAJOXDMPJLA-UHFFFAOYSA-N	-1	1	275.348	2.470	50	0		CEAAMM
CCOC(=O)c1nn(-c2ccc(OCC)cc2)cc1[O-]	ZINC000000142843	361134563	/nfs/dbraw/zinc/13/45/63/361134563.db2.gz	LTNGQELIESBHOI-UHFFFAOYSA-N	-1	1	276.292	2.153	50	0		CEAAMM
O=C([O-])Cc1sc(Cc2ccc(Cl)cc2)nc1O	ZINC000000144993	361134761	/nfs/dbraw/zinc/13/47/61/361134761.db2.gz	BPYLGEIVYAUINT-VIFPVBQESA-N	-1	1	283.736	2.398	50	0		CEAAMM
COc1ccc2c(c1)O[C@@](O)(C(F)(F)C(F)F)C=C2[O-]	ZINC000000185396	361142890	/nfs/dbraw/zinc/14/28/90/361142890.db2.gz	AOLCPXRGICDDCR-LLVKDONJSA-N	-1	1	294.200	2.249	50	0		CEAAMM
O=C(COc1ccccc1F)c1ccc([O-])cc1O	ZINC000000459100	361176648	/nfs/dbraw/zinc/17/66/48/361176648.db2.gz	XHSAFGAQMLTOBV-UHFFFAOYSA-N	-1	1	262.236	2.499	50	0		CEAAMM
COc1ccccc1OCC(=O)c1ccc([O-])cc1O	ZINC000000542576	361185177	/nfs/dbraw/zinc/18/51/77/361185177.db2.gz	MXHGJBZYDIITOO-UHFFFAOYSA-N	-1	1	274.272	2.368	50	0		CEAAMM
Cc1ccc([O-])c(C(=O)c2cnc3c(c2)CN(C)C(=O)N3)c1	ZINC000002616097	361242652	/nfs/dbraw/zinc/24/26/52/361242652.db2.gz	DEZUFYGDHPJGOZ-UHFFFAOYSA-N	-1	1	297.314	2.304	50	0		CEAAMM
O=C(Nc1nnc(C2CC2)s1)c1ccccc1[O-]	ZINC000012733799	361397935	/nfs/dbraw/zinc/39/79/35/361397935.db2.gz	MKJCPIMWLAKVMA-UHFFFAOYSA-N	-1	1	261.306	2.373	50	0		CEAAMM
O=C(CSc1nccc(=O)[n-]1)Nc1cccc(Cl)c1	ZINC000013881278	361444036	/nfs/dbraw/zinc/44/40/36/361444036.db2.gz	HBDXTCREWLOZFY-UHFFFAOYSA-N	-1	1	295.751	2.154	50	0		CEAAMM
CCCc1cc(=O)[n-]c(Nc2ccc3c(c2)OCCO3)n1	ZINC000015990187	361482145	/nfs/dbraw/zinc/48/21/45/361482145.db2.gz	VIPZLCBKRPEGKA-UHFFFAOYSA-N	-1	1	287.319	2.237	50	0		CEAAMM
O=C(NC1=NCCS1)c1cc2ccccc2cc1[O-]	ZINC000023027957	361591489	/nfs/dbraw/zinc/59/14/89/361591489.db2.gz	SYMKCBDLPKOVPQ-UHFFFAOYSA-N	-1	1	272.329	2.378	50	0		CEAAMM
CCC[C@H](NC(=O)c1cc(C)ccc1C)c1nn[n-]n1	ZINC000089949627	364022722	/nfs/dbraw/zinc/02/27/22/364022722.db2.gz	RICIZEXBXKOBRZ-LBPRGKRZSA-N	-1	1	273.340	2.088	50	0		CEAAMM
CC(C)(C)C[C@@H](CO)NC(=O)c1c(F)ccc([O-])c1F	ZINC000242273760	370786623	/nfs/dbraw/zinc/78/66/23/370786623.db2.gz	YFRSZAIAJWYZEB-QMMMGPOBSA-N	-1	1	287.306	2.197	50	0		CEAAMM
Cc1nccc(C(=O)Nc2ccc([O-])c(Cl)c2)n1	ZINC000170593567	367382557	/nfs/dbraw/zinc/38/25/57/367382557.db2.gz	IKJQKKMHCRXVOE-UHFFFAOYSA-N	-1	1	263.684	2.396	50	0		CEAAMM
CC[C@H](C(=O)[O-])N1CCO[C@H](c2ccc(F)c(F)c2)C1	ZINC000191416373	369711029	/nfs/dbraw/zinc/71/10/29/369711029.db2.gz	ZROLMEVYKDIDBK-OLZOCXBDSA-N	-1	1	285.290	2.201	50	0		CEAAMM
O=C1[N-]C(=O)/C(=C/c2ccc(Cl)cc2Cl)N1	ZINC000017300219	296356210	/nfs/dbraw/zinc/35/62/10/296356210.db2.gz	KXXQLEFIYMXHAL-BAQGIRSFSA-N	-1	1	257.076	2.174	50	0		CEAAMM
O=C(Nc1ccc(N2CCOCC2)cc1)c1ccccc1[O-]	ZINC000009322956	400104080	/nfs/dbraw/zinc/10/40/80/400104080.db2.gz	IZUAJRCDEZJATP-UHFFFAOYSA-N	-1	1	298.342	2.481	50	0		CEAAMM
CCCNc1nc(-c2ccc([O-])c(C(N)=O)c2)cs1	ZINC000007844176	170304892	/nfs/dbraw/zinc/30/48/92/170304892.db2.gz	BVLJTCTYDXRIQN-UHFFFAOYSA-N	-1	1	277.349	2.437	50	0		CEAAMM
CCCc1cc(=O)[n-]c(Nc2ccc(NC(C)=O)cc2)n1	ZINC000007996446	170312929	/nfs/dbraw/zinc/31/29/29/170312929.db2.gz	MZTXJFCCXRNGFK-UHFFFAOYSA-N	-1	1	286.335	2.424	50	0		CEAAMM
O=C1[N-]C(=S)NC1=Cc1ccc(-c2ccccc2F)o1	ZINC000008078415	170317921	/nfs/dbraw/zinc/31/79/21/170317921.db2.gz	KVJBXPSHQLQJQA-XFFZJAGNSA-N	-1	1	288.303	2.431	50	0		CEAAMM
CC(C)(C)n1nnnc1SCC(=O)c1ccc([O-])cc1	ZINC000008771841	170355156	/nfs/dbraw/zinc/35/51/56/170355156.db2.gz	QYUVAAOPPQZSME-UHFFFAOYSA-N	-1	1	292.364	2.109	50	0		CEAAMM
Nc1cc(=O)[n-]c(SCc2cccc(Cl)c2)n1	ZINC000008772756	170355254	/nfs/dbraw/zinc/35/52/54/170355254.db2.gz	ATGRTSBOPIQKIQ-UHFFFAOYSA-N	-1	1	267.741	2.298	50	0	aggregator	CEAAMM
COc1cccc(C=C2SC(=O)[N-]C2=O)c1OC	ZINC000013060578	170530278	/nfs/dbraw/zinc/53/02/78/170530278.db2.gz	VCCYLUDFIQHPMV-TWGQIWQCSA-N	-1	1	265.290	2.028	50	0		CEAAMM
Cc1cc(C(=O)[N-]c2ncn(C3CCCCC3)n2)on1	ZINC000182693788	278655726	/nfs/dbraw/zinc/65/57/26/278655726.db2.gz	IXQBQGRJCCIZOB-UHFFFAOYSA-N	-1	1	275.312	2.332	50	0		CEAAMM
CC[C@@]1(C(=O)[O-])CCCN(Cc2[nH]nc(C)c2Cl)C1	ZINC000091746710	180244805	/nfs/dbraw/zinc/24/48/05/180244805.db2.gz	RXSHOHNBGSNNMG-CYBMUJFWSA-N	-1	1	285.775	2.448	50	0		CEAAMM
CC1(C)[C@@H]2CN(Cc3nc(=O)c4sccc4[n-]3)C[C@@H]21	ZINC000076040503	363510524	/nfs/dbraw/zinc/51/05/24/363510524.db2.gz	KEJRVAOAMKIJEB-DTORHVGOSA-N	-1	1	275.377	2.485	50	0		CEAAMM
CCc1ccc(S(=O)(=O)[N-]c2ccncc2)cc1	ZINC000000314003	361159852	/nfs/dbraw/zinc/15/98/52/361159852.db2.gz	FSBHTNOEVVGRTB-UHFFFAOYSA-N	-1	1	262.334	2.445	50	0		CEAAMM
O=C(N=C([O-])Nc1ccn(-c2ccccc2)n1)C(F)(F)F	ZINC000001470939	361206470	/nfs/dbraw/zinc/20/64/70/361206470.db2.gz	ZCQPRXKMDCQHSY-UHFFFAOYSA-N	-1	1	298.224	2.083	50	0		CEAAMM
O=C([N-]C(=O)C(F)(F)F)Nc1ccn(-c2ccccc2)n1	ZINC000001470939	361206474	/nfs/dbraw/zinc/20/64/74/361206474.db2.gz	ZCQPRXKMDCQHSY-UHFFFAOYSA-N	-1	1	298.224	2.083	50	0		CEAAMM
CC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(O)c2)cc1	ZINC000003368340	361277913	/nfs/dbraw/zinc/27/79/13/361277913.db2.gz	WSGPSVWFKXRHSS-UHFFFAOYSA-N	-1	1	291.328	2.396	50	0		CEAAMM
CCOc1cc2c(cc1C=C1SC(=O)[N-]C1=O)OCO2	ZINC000013881360	361443360	/nfs/dbraw/zinc/44/33/60/361443360.db2.gz	BLIYNBNXBQBXPC-WCIBSUBMSA-N	-1	1	293.300	2.138	50	0		CEAAMM
O=c1cc(O)nc(SCc2ccccc2Cl)[n-]1	ZINC000017858420	361510651	/nfs/dbraw/zinc/51/06/51/361510651.db2.gz	DSJYNPLTSJKLJG-UHFFFAOYSA-N	-1	1	268.725	2.421	50	0	aggregator	CEAAMM
Cc1cccc(C(=O)Nc2nn3c([n-]2)nc(C)c(C)c3=O)c1	ZINC000018219989	361516490	/nfs/dbraw/zinc/51/64/90/361516490.db2.gz	HGNNHBFCKNAFLZ-UHFFFAOYSA-N	-1	1	297.318	2.007	50	0		CEAAMM
CC[C@@H](NC(=O)c1ccc(Cl)cc1[O-])[C@H]1C[C@@H](O)C1	ZINC000219920060	370228058	/nfs/dbraw/zinc/22/80/58/370228058.db2.gz	ANLINYDKCGHBQO-HLUHBDAQSA-N	-1	1	283.755	2.325	50	0		CEAAMM
CCOC(=O)C(Cl)=N[N-]c1ccccc1[N+](=O)[O-]	ZINC000252638018	371460381	/nfs/dbraw/zinc/46/03/81/371460381.db2.gz	XYTJWRVHURKZAD-UHFFFAOYSA-N	-1	1	271.660	2.122	50	0		CEAAMM
Cc1ccc(Nn2c(=O)c(C(C)(C)C)n[n-]c2=S)cc1	ZINC000103526020	400258197	/nfs/dbraw/zinc/25/81/97/400258197.db2.gz	NJEPEQVKTVQRDI-UHFFFAOYSA-N	-1	1	290.392	2.408	50	0		CEAAMM
Cc1cc(=O)[n-]c(SC[C@H]2COC3(CCCCC3)O2)n1	ZINC000004938666	170042853	/nfs/dbraw/zinc/04/28/53/170042853.db2.gz	LSFSUDIJYQUGTQ-LLVKDONJSA-N	-1	1	296.392	2.246	50	0		CEAAMM
O=C(Nc1nccs1)C(=S)[N-]C1CCCCC1	ZINC000005705302	170131293	/nfs/dbraw/zinc/13/12/93/170131293.db2.gz	VQHDZEOGWCGCMX-UHFFFAOYSA-N	-1	1	269.395	2.331	50	0		CEAAMM
CCn1cc(S(=O)(=O)[N-]c2ccccc2Cl)cn1	ZINC000006731936	170235988	/nfs/dbraw/zinc/23/59/88/170235988.db2.gz	AJRPKOVYUOYAHY-UHFFFAOYSA-N	-1	1	285.756	2.357	50	0		CEAAMM
COc1ccc(Cn2c3c(c(=S)[n-]c2=O)CCC3)cc1	ZINC000008737565	170352850	/nfs/dbraw/zinc/35/28/50/170352850.db2.gz	WVZWBEKRNBVLSA-UHFFFAOYSA-N	-1	1	288.372	2.451	50	0		CEAAMM
O=S(=O)([N-]c1cccc(O)c1)c1ccc(F)cc1	ZINC000020212989	171075678	/nfs/dbraw/zinc/07/56/78/171075678.db2.gz	ZSDXLBSWQIWWDS-UHFFFAOYSA-N	-1	1	267.281	2.332	50	0		CEAAMM
O=C(NC1CCCCCC1)c1nc2ccccc2c(=O)[n-]1	ZINC000020738858	171271389	/nfs/dbraw/zinc/27/13/89/171271389.db2.gz	VYQCMRWGOUHHCE-UHFFFAOYSA-N	-1	1	285.347	2.376	50	0		CEAAMM
Cc1ccc([C@H](C)[N-]S(=O)(=O)c2c(C)noc2C)o1	ZINC000021188395	171299496	/nfs/dbraw/zinc/29/94/96/171299496.db2.gz	KQRFMUFZNXRQMI-QMMMGPOBSA-N	-1	1	284.337	2.232	50	0		CEAAMM
O=C([O-])C1CCN(Cc2ccc(Cl)nc2)CC1	ZINC000022637481	171395019	/nfs/dbraw/zinc/39/50/19/171395019.db2.gz	NSZCPXXCEONZJS-UHFFFAOYSA-N	-1	1	254.717	2.032	50	0		CEAAMM
Cc1ccc(-c2cc(C(=O)N3CCC[C@@H]3C(=O)[O-])n[nH]2)cc1	ZINC000045948732	175388504	/nfs/dbraw/zinc/38/85/04/175388504.db2.gz	LPVPXCHDUVOXCE-CQSZACIVSA-N	-1	1	299.330	2.074	50	0		CEAAMM
COC(=O)c1nn(-c2ccc(Br)cc2)cc1[O-]	ZINC000003265865	277172839	/nfs/dbraw/zinc/17/28/39/277172839.db2.gz	IESQWUDPBJFIMH-UHFFFAOYSA-N	-1	1	297.108	2.127	50	0		CEAAMM
O=S(=O)([N-]c1ccncc1)c1ccc(F)cc1	ZINC000004731530	280339216	/nfs/dbraw/zinc/33/92/16/280339216.db2.gz	UQIBBQLKNXDGET-UHFFFAOYSA-N	-1	1	252.270	2.022	50	0		CEAAMM
Nc1cc(=O)[n-]c(=S)n1-c1ccccc1Cl	ZINC000000337987	295347417	/nfs/dbraw/zinc/34/74/17/295347417.db2.gz	PCYICYZSWYQCTB-UHFFFAOYSA-N	-1	1	253.714	2.131	50	0		CEAAMM
COC(=O)c1occc1C=C1SC(=S)[N-]C1=O	ZINC000056635956	343618921	/nfs/dbraw/zinc/61/89/21/343618921.db2.gz	CIEAAGWGHRPJLS-GQCTYLIASA-N	-1	1	269.303	2.395	50	0		CEAAMM
CCCn1nc(C)c(C(=O)Nc2ccncc2[O-])c1C	ZINC000170072785	344484264	/nfs/dbraw/zinc/48/42/64/344484264.db2.gz	RMPZXPMDXTUPFR-UHFFFAOYSA-N	-1	1	274.324	2.263	50	0		CEAAMM
COC(=O)[C@@H](CC(C)C)N(C)C(=O)c1ccc([O-])c(F)c1	ZINC000590776247	345179479	/nfs/dbraw/zinc/17/94/79/345179479.db2.gz	IHWAVKBHARNFQA-GFCCVEGCSA-N	-1	1	297.326	2.191	50	0		CEAAMM
Cc1noc(C)c1CCCNC(=O)c1c([O-])cccc1F	ZINC000128924120	187398900	/nfs/dbraw/zinc/39/89/00/187398900.db2.gz	CMXGUNKQDRFKPV-UHFFFAOYSA-N	-1	1	292.310	2.499	50	0		CEAAMM
CCn1c(=S)[n-]nc1C1CCN(C(=O)[C@@H]2C[C@H]2C)CC1	ZINC000068453906	362941916	/nfs/dbraw/zinc/94/19/16/362941916.db2.gz	JFHCGVVYKPNICA-MWLCHTKSSA-N	-1	1	294.424	2.323	50	0		CEAAMM
Cc1ccccc1[C@@H]1CN(Cc2ncc[nH]2)C[C@H]1C(=O)[O-]	ZINC000091441341	180156580	/nfs/dbraw/zinc/15/65/80/180156580.db2.gz	ZVKBSGYOKSWZMF-UONOGXRCSA-N	-1	1	285.347	2.018	50	0		CEAAMM
Cc1ccccc1[C@@H]1CN(CCCC(=O)[O-])CCO1	ZINC000131422291	366052677	/nfs/dbraw/zinc/05/26/77/366052677.db2.gz	WMBBXGXNXSBXGG-AWEZNQCLSA-N	-1	1	263.337	2.233	50	0		CEAAMM
Cc1nc[nH]c1-c1nccn1[C@H](Cc1ccccc1)C(=O)[O-]	ZINC000071775891	363113712	/nfs/dbraw/zinc/11/37/12/363113712.db2.gz	HADSHKFZUFWJHP-CYBMUJFWSA-N	-1	1	296.330	2.450	50	0		CEAAMM
C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)c1ncccc1[O-]	ZINC000132266621	366130817	/nfs/dbraw/zinc/13/08/17/366130817.db2.gz	ODBGPZDMMVLUMK-NSHDSACASA-N	-1	1	286.331	2.196	50	0		CEAAMM
CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccccc2)cc1	ZINC000000038955	361120119	/nfs/dbraw/zinc/12/01/19/361120119.db2.gz	AKAPFHGDRBFYJH-UHFFFAOYSA-N	-1	1	290.344	2.446	50	0		CEAAMM
O=S(=O)([N-]c1ccc2c(c1)OCO2)c1ccccc1	ZINC000000259984	361153498	/nfs/dbraw/zinc/15/34/98/361153498.db2.gz	WEZOCEUXNBHQRC-UHFFFAOYSA-N	-1	1	277.301	2.216	50	0		CEAAMM
Nc1nc(-c2ccccc2[O-])nc(-c2ccccc2O)n1	ZINC000000268676	361154553	/nfs/dbraw/zinc/15/45/53/361154553.db2.gz	VDGCVEJODDABLM-UHFFFAOYSA-N	-1	1	280.287	2.199	50	0		CEAAMM
Cc1cc(C=C2NC(=S)[N-]C2=O)c(C)n1-c1cccnc1	ZINC000000450107	361176138	/nfs/dbraw/zinc/17/61/38/361176138.db2.gz	ZDCUOFZHNVJESK-NTUHNPAUSA-N	-1	1	298.371	2.246	50	0		CEAAMM
O=c1[n-]c(SCc2ccccc2)nc2[nH]cnc21	ZINC000011905873	361368939	/nfs/dbraw/zinc/36/89/39/361368939.db2.gz	KWVTWUILORQZBS-UHFFFAOYSA-N	-1	1	258.306	2.351	50	0		CEAAMM
CCCCOc1ccc(/C=C2\NC(=S)[N-]C2=O)cc1	ZINC000012567091	361392049	/nfs/dbraw/zinc/39/20/49/361392049.db2.gz	FWZCLWSUVPPZHG-XFXZXTDPSA-N	-1	1	276.361	2.211	50	0		CEAAMM
CCCc1cc(=O)[n-]c(S[C@@H](C)c2nc(C)no2)n1	ZINC000012820027	361402295	/nfs/dbraw/zinc/40/22/95/361402295.db2.gz	HPFSHFXWSBJUSS-ZETCQYMHSA-N	-1	1	280.353	2.267	50	0		CEAAMM
C[C@@H]1CN(Cc2cc(=O)oc3cc([O-])ccc23)C[C@H](C)O1	ZINC000013122383	361419316	/nfs/dbraw/zinc/41/93/16/361419316.db2.gz	WEQLMQPMEKVDJT-PHIMTYICSA-N	-1	1	289.331	2.108	50	0		CEAAMM
O=C(CSc1nccc(=O)[n-]1)Nc1ccccc1Cl	ZINC000017972049	361512401	/nfs/dbraw/zinc/51/24/01/361512401.db2.gz	GTCUMOKCXBAQOA-UHFFFAOYSA-N	-1	1	295.751	2.154	50	0		CEAAMM
CCC[C@H](NC(=O)[C@H](C)Cc1ccccc1)c1nn[n-]n1	ZINC000089949527	364022881	/nfs/dbraw/zinc/02/28/81/364022881.db2.gz	UVFSNJJMMPTPTE-YPMHNXCESA-N	-1	1	287.367	2.036	50	0		CEAAMM
O=C(NC[C@@H]1CCOc2ccccc21)c1cncc([O-])c1	ZINC000095395271	364355923	/nfs/dbraw/zinc/35/59/23/364355923.db2.gz	LAYBZKMJZSYVLT-NSHDSACASA-N	-1	1	284.315	2.083	50	0		CEAAMM
C[C@H](c1ccncn1)N(C)Cc1ccccc1C(=O)[O-]	ZINC000215701482	370179984	/nfs/dbraw/zinc/17/99/84/370179984.db2.gz	RSANWHGCGHPPGW-LLVKDONJSA-N	-1	1	271.320	2.368	50	0		CEAAMM
CCc1nc2c(s1)[C@@H](N(C)CC(=O)[O-])CCC2	ZINC000262786180	371908618	/nfs/dbraw/zinc/90/86/18/371908618.db2.gz	QIKGMBJIGPVUDM-VIFPVBQESA-N	-1	1	254.355	2.099	50	0		CEAAMM
O=c1[n-]c(=S)[nH]c2c1[C@@H](O)C=C(c1ccccc1)O2	ZINC000017993967	285379585	/nfs/dbraw/zinc/37/95/85/285379585.db2.gz	MRUKKFXDDZECDK-QMMMGPOBSA-N	-1	1	274.301	2.312	50	0		CEAAMM
Cn1[n-]c(C2CC2)c(-c2ccc3c(c2)OCO3)c1=N	ZINC000103161201	400257003	/nfs/dbraw/zinc/25/70/03/400257003.db2.gz	NSZAKJPNQRYIDD-UHFFFAOYSA-N	-1	1	257.293	2.106	50	0		CEAAMM
Cn1c(CC(=O)Nc2ccc(Cl)cc2)n[n-]c1=S	ZINC000004735929	170007716	/nfs/dbraw/zinc/00/77/16/170007716.db2.gz	QUXYCBMKBYUAPG-UHFFFAOYSA-N	-1	1	282.756	2.312	50	0		CEAAMM
Cn1c(CNC(=O)c2ccccc2Cl)n[n-]c1=S	ZINC000006557169	170213464	/nfs/dbraw/zinc/21/34/64/170213464.db2.gz	OIPHEGWRJQNSGB-UHFFFAOYSA-N	-1	1	282.756	2.061	50	0		CEAAMM
O=S(=O)([N-]Cc1ccco1)c1cc(F)ccc1F	ZINC000006725708	170232855	/nfs/dbraw/zinc/23/28/55/170232855.db2.gz	IFAYBQUWKGRAQX-UHFFFAOYSA-N	-1	1	273.260	2.036	50	0		CEAAMM
Cc1ccc(C(=O)[C@@H](C)Sc2nc(N)cc(=O)[n-]2)cc1	ZINC000009638594	170383388	/nfs/dbraw/zinc/38/33/88/170383388.db2.gz	YQHJGXKGNQFFBS-SECBINFHSA-N	-1	1	289.360	2.024	50	0		CEAAMM
CC[C@H](C)[N-]S(=O)(=O)c1ccc(F)c(F)c1F	ZINC000006508988	261371646	/nfs/dbraw/zinc/37/16/46/261371646.db2.gz	PNIOJSNFPHWQRT-LURJTMIESA-N	-1	1	267.272	2.181	50	0		CEAAMM
O=c1c2cc3c([n-]c-2nn1-c1ccccc1)CCCC3=O	ZINC000018198313	280391354	/nfs/dbraw/zinc/39/13/54/280391354.db2.gz	XIHMJOFZGNNDBO-UHFFFAOYSA-N	-1	1	279.299	2.233	50	0		CEAAMM
Cc1ccc(C(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)cc1	ZINC000004002871	280791199	/nfs/dbraw/zinc/79/11/99/280791199.db2.gz	CHTCXIZSHXKCMH-UHFFFAOYSA-N	-1	1	283.331	2.209	50	0		CEAAMM
O=C([O-])CCN1CCc2onc(-c3ccccc3F)c2C1	ZINC000067725987	631675266	/nfs/dbraw/zinc/67/52/66/631675266.db2.gz	DZSQYDMYTMXXCF-UHFFFAOYSA-N	-1	1	290.294	2.314	50	0		CEAAMM
Cc1cc(S(=O)(=O)[N-]c2ccncc2)ccc1F	ZINC000032497868	361738749	/nfs/dbraw/zinc/73/87/49/361738749.db2.gz	WQMHPTUJRCNYNK-UHFFFAOYSA-N	-1	1	266.297	2.330	50	0		CEAAMM
O=C(C[C@H]1SC(=O)[N-]C1=O)c1ccc(Cl)cc1	ZINC000075272203	343844337	/nfs/dbraw/zinc/84/43/37/343844337.db2.gz	HCTULXUOHIRDEH-SECBINFHSA-N	-1	1	269.709	2.264	50	0		CEAAMM
O=C(N[C@@H]1CCCSC1)c1c([O-])cccc1F	ZINC000128176895	187355708	/nfs/dbraw/zinc/35/57/08/187355708.db2.gz	MEELQBDUGSFRPX-MRVPVSSYSA-N	-1	1	255.314	2.157	50	0		CEAAMM
CSCC[C@@H](C)N(C)C(=O)c1ncccc1[O-]	ZINC000128435284	187370308	/nfs/dbraw/zinc/37/03/08/187370308.db2.gz	PAOUCULQVLGJGG-SECBINFHSA-N	-1	1	254.355	2.001	50	0		CEAAMM
CC[C@@H](C)CN(C)C(=O)c1ccc2n[n-]c(=S)n2c1	ZINC000328590146	201948098	/nfs/dbraw/zinc/94/80/98/201948098.db2.gz	UAJLKPGVFJSTLG-SECBINFHSA-N	-1	1	278.381	2.136	50	0		CEAAMM
Cc1ccccc1NC(=O)c1n([O-])c2ccccc2[n+]1[O-]	ZINC000067640828	362913588	/nfs/dbraw/zinc/91/35/88/362913588.db2.gz	WOIOUKFSVSWFGQ-UHFFFAOYSA-N	-1	1	283.287	2.073	50	0		CEAAMM
Cc1cc(Cl)ccc1C(=O)N(C)C[C@@H](C)c1nn[n-]n1	ZINC000124151300	187124491	/nfs/dbraw/zinc/12/44/91/187124491.db2.gz	STVNFTNCVIZQSB-SECBINFHSA-N	-1	1	293.758	2.037	50	0		CEAAMM
CCO[C@@H]1C[C@H](N(C)C(=O)c2ncccc2[O-])C12CCC2	ZINC000132174035	366123850	/nfs/dbraw/zinc/12/38/50/366123850.db2.gz	OMLOQLMDUNHTGQ-QWHCGFSZSA-N	-1	1	290.363	2.207	50	0		CEAAMM
Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CCC[C@H](C)CC1	ZINC000081614460	538886491	/nfs/dbraw/zinc/88/64/91/538886491.db2.gz	DGTRCVAJIUFPEA-NSHDSACASA-N	-1	1	291.395	2.464	50	0		CEAAMM
O=S(=O)([N-]c1ccccc1CO)c1ccc(F)cc1	ZINC000003215222	361268389	/nfs/dbraw/zinc/26/83/89/361268389.db2.gz	RQXGJWWUZSSERU-UHFFFAOYSA-N	-1	1	281.308	2.119	50	0		CEAAMM
Cc1cccc(CSc2nc(C)c(CCO)c(=O)[n-]2)c1	ZINC000011905779	361368646	/nfs/dbraw/zinc/36/86/46/361368646.db2.gz	NXTKIUXXEOWQED-UHFFFAOYSA-N	-1	1	290.388	2.214	50	0		CEAAMM
O=C(Nc1nnn[n-]1)[C@H]1C[C@H]1c1ccc2ccccc2c1	ZINC000089878745	364012457	/nfs/dbraw/zinc/01/24/57/364012457.db2.gz	KBFXKOADVNAKOQ-STQMWFEESA-N	-1	1	279.303	2.095	50	0		CEAAMM
O=C(Nc1nn[n-]n1)[C@H]1C[C@H]1c1ccc2ccccc2c1	ZINC000089878745	364012462	/nfs/dbraw/zinc/01/24/62/364012462.db2.gz	KBFXKOADVNAKOQ-STQMWFEESA-N	-1	1	279.303	2.095	50	0		CEAAMM
COCCN(C(=O)c1cncc([O-])c1)[C@@H]1CC[C@@H](C)C1	ZINC000330623844	203051363	/nfs/dbraw/zinc/05/13/63/203051363.db2.gz	QDFMHCQIUDVFBZ-DGCLKSJQSA-N	-1	1	278.352	2.064	50	0		CEAAMM
CCC[C@H](NCC(=O)N1CCC[C@@H]2CCCC[C@H]21)C(=O)[O-]	ZINC000218058364	370205138	/nfs/dbraw/zinc/20/51/38/370205138.db2.gz	CPKWGUMRLDGFFO-MELADBBJSA-N	-1	1	296.411	2.011	50	0		CEAAMM
C[C@@H](c1c(F)cccc1F)N1CC[C@@H](C(=O)[O-])C1	ZINC000226445952	296223454	/nfs/dbraw/zinc/22/34/54/296223454.db2.gz	YEWDYFDQSYUPJO-DTWKUNHWSA-N	-1	1	255.264	2.432	50	0		CEAAMM
CC[C@H]1CN(CCC(=O)[O-])CC[N@H+]1Cc1ccccc1	ZINC000262367087	190054077	/nfs/dbraw/zinc/05/40/77/190054077.db2.gz	KOGOIJQSWZYWBP-HNNXBMFYSA-N	-1	1	276.380	2.058	50	0		CEAAMM
Cc1ccc(NC(=O)[N-]C2=NC(=O)[C@H](C(C)C)O2)cc1	ZINC000005936663	170158655	/nfs/dbraw/zinc/15/86/55/170158655.db2.gz	YVOITCYVMQLSCO-NSHDSACASA-N	-1	1	275.308	2.054	50	0		CEAAMM
COc1cnc(-c2cccc(C(F)(F)F)c2)[n-]c1=O	ZINC000006411521	170199124	/nfs/dbraw/zinc/19/91/24/170199124.db2.gz	KKCWCZUGKXYTNF-UHFFFAOYSA-N	-1	1	270.210	2.464	50	0		CEAAMM
Cc1cc(C)c2nc(Nc3nc([O-])cc(=O)[nH]3)nc(C)c2c1	ZINC000009136448	170364497	/nfs/dbraw/zinc/36/44/97/170364497.db2.gz	KOOSSHUQVBYWBQ-UHFFFAOYSA-N	-1	1	297.318	2.088	50	0		CEAAMM
C[C@H](c1ccc(F)cc1F)N1CCN(CCC(=O)[O-])CC1	ZINC000069415302	175827842	/nfs/dbraw/zinc/82/78/42/175827842.db2.gz	CKZSDDUDLCKKTF-LLVKDONJSA-N	-1	1	298.333	2.118	50	0		CEAAMM
O=C(Nc1nnn[n-]1)[C@H]1C[C@H]1c1cccc(Cl)c1Cl	ZINC000071897879	176292769	/nfs/dbraw/zinc/29/27/69/176292769.db2.gz	FYLOYBQGZBGFTO-BQBZGAKWSA-N	-1	1	298.133	2.249	50	0		CEAAMM
O=C(Nc1nn[n-]n1)[C@H]1C[C@H]1c1cccc(Cl)c1Cl	ZINC000071897879	176292771	/nfs/dbraw/zinc/29/27/71/176292771.db2.gz	FYLOYBQGZBGFTO-BQBZGAKWSA-N	-1	1	298.133	2.249	50	0		CEAAMM
COc1cc2c(cc1C=C1SC(=O)[N-]C1=O)O[C@@H](C)C2	ZINC000096831483	277391219	/nfs/dbraw/zinc/39/12/19/277391219.db2.gz	ZNRWVGTWZUQCTM-NYYVKIQXSA-N	-1	1	291.328	2.343	50	0		CEAAMM
C[C@@H]1CCCC[C@H]1NC(=O)c1nc2ccccc2c(=O)[n-]1	ZINC000040497826	277687644	/nfs/dbraw/zinc/68/76/44/277687644.db2.gz	RECSOVMQLPVQRA-ZYHUDNBSSA-N	-1	1	285.347	2.232	50	0		CEAAMM
NN=c1nnc(-c2ccccc2)c(-c2ccccc2)[n-]1	ZINC000000408016	295280211	/nfs/dbraw/zinc/28/02/11/295280211.db2.gz	CBWZPMAODJSGAT-UHFFFAOYSA-N	-1	1	263.304	2.491	50	0		CEAAMM
CC[C@@]1(C(=O)[O-])CCCN(Cc2nccs2)C1	ZINC000094969434	628886300	/nfs/dbraw/zinc/88/63/00/628886300.db2.gz	AKOJRXQCZKHBSH-GFCCVEGCSA-N	-1	1	254.355	2.220	50	0		CEAAMM
O=C(Nc1ccc(Oc2nnn[n-]2)cc1)[C@@H]1C[C@@H]2C=C[C@H]1C2	ZINC000828111385	810777877	/nfs/dbraw/zinc/77/78/77/810777877.db2.gz	MQSZYIPPCVKBJT-GBIKHYSHSA-N	-1	1	297.318	2.143	50	0		CEAAMM
O=C(Nc1ccc(Oc2nn[n-]n2)cc1)[C@@H]1C[C@@H]2C=C[C@H]1C2	ZINC000828111385	810777887	/nfs/dbraw/zinc/77/78/87/810777887.db2.gz	MQSZYIPPCVKBJT-GBIKHYSHSA-N	-1	1	297.318	2.143	50	0		CEAAMM
Cc1noc(C)c1[C@H]1CCCN1Cc1c[nH]nc1C(=O)[O-]	ZINC000071745374	813252548	/nfs/dbraw/zinc/25/25/48/813252548.db2.gz	NYQCNEZHMGPKBQ-LLVKDONJSA-N	-1	1	290.323	2.050	50	0		CEAAMM
O=C(NCC1CC1)c1cc(Br)ccc1[O-]	ZINC000032909802	361765307	/nfs/dbraw/zinc/76/53/07/361765307.db2.gz	NKAQKNHOLOJJJP-UHFFFAOYSA-N	-1	1	270.126	2.295	50	0		CEAAMM
Cc1cccc(S(=O)(=O)[N-]c2ccccc2CO)c1	ZINC000042266895	362074757	/nfs/dbraw/zinc/07/47/57/362074757.db2.gz	SNENXIQPNOSUSM-UHFFFAOYSA-N	-1	1	277.345	2.288	50	0		CEAAMM
CN1C(=O)C(=Cc2c[nH]c3ccccc23)C(=O)[N-]C1=S	ZINC000016188916	343370107	/nfs/dbraw/zinc/37/01/07/343370107.db2.gz	JAEFLVKCBWNJSP-POHAHGRESA-N	-1	1	285.328	2.265	50	0		CEAAMM
C[C@H]1C[C@H](C(=O)Nc2[n-]c(=O)ncc2F)CC(C)(C)C1	ZINC000170605955	344486345	/nfs/dbraw/zinc/48/63/45/344486345.db2.gz	QESYLTSMQNHVAP-IUCAKERBSA-N	-1	1	281.331	2.310	50	0		CEAAMM
O=C([O-])[C@H]1CCCN(Cc2ccn(-c3ccccc3)n2)C1	ZINC000061641243	362684883	/nfs/dbraw/zinc/68/48/83/362684883.db2.gz	JJRXCPRERWIEID-ZDUSSCGKSA-N	-1	1	285.347	2.169	50	0		CEAAMM
CCSCc1ccnc([N-]S(=O)(=O)CC)c1	ZINC000130227669	365934876	/nfs/dbraw/zinc/93/48/76/365934876.db2.gz	XPYFKOUISZRADB-UHFFFAOYSA-N	-1	1	260.384	2.096	50	0		CEAAMM
O=C(c1cc2ccccc2cc1[O-])N1CCOCC1	ZINC000000180733	361141155	/nfs/dbraw/zinc/14/11/55/361141155.db2.gz	UIBXWHOZQBESMO-UHFFFAOYSA-N	-1	1	257.289	2.018	50	0		CEAAMM
C[C@H](C[C@H]1CC(C)(C)OC1=O)c1n[n-]c(=S)[nH]1	ZINC000005912761	361335379	/nfs/dbraw/zinc/33/53/79/361335379.db2.gz	QNGJBKWJBLDJIY-RQJHMYQMSA-N	-1	1	255.343	2.303	50	0		CEAAMM
CCn1cc(CNCc2ccc(C(=O)[O-])cc2)c(C)n1	ZINC000012399019	361382504	/nfs/dbraw/zinc/38/25/04/361382504.db2.gz	ZESQNQZXDMWBDX-UHFFFAOYSA-N	-1	1	273.336	2.199	50	0		CEAAMM
Cc1ccc(C)c(S(=O)(=O)[N-]c2ccncc2)c1	ZINC000013947600	361446421	/nfs/dbraw/zinc/44/64/21/361446421.db2.gz	IKVZGILGTRQHCJ-UHFFFAOYSA-N	-1	1	262.334	2.499	50	0		CEAAMM
CCCS(=O)(=O)[N-]c1c2ccccc2[nH]c1C(=O)OC	ZINC000018157317	361515507	/nfs/dbraw/zinc/51/55/07/361515507.db2.gz	MPBNUOXKSCDDFT-UHFFFAOYSA-N	-1	1	296.348	2.106	50	0		CEAAMM
CN(Cc1ccsc1)C(=O)c1nc2ccccc2c(=O)[n-]1	ZINC000019774371	361552508	/nfs/dbraw/zinc/55/25/08/361552508.db2.gz	IFMCYMOFAMSKTB-UHFFFAOYSA-N	-1	1	299.355	2.257	50	0		CEAAMM
O=C(CCc1ccccc1)Nc1n[n-]c(C(F)(F)F)n1	ZINC000029388671	361684766	/nfs/dbraw/zinc/68/47/66/361684766.db2.gz	HZAWSSJWQSJSNS-UHFFFAOYSA-N	-1	1	284.241	2.395	50	0		CEAAMM
FC(F)(F)Oc1ccc2c(c1)CCCN2Cc1nn[n-]n1	ZINC000095408236	364362488	/nfs/dbraw/zinc/36/24/88/364362488.db2.gz	YJOPOEJPGBJOFS-UHFFFAOYSA-N	-1	1	299.256	2.051	50	0		CEAAMM
COC(=O)c1c[n-]c(SCc2cnc(C)s2)n1	ZINC000170618001	367388739	/nfs/dbraw/zinc/38/87/39/367388739.db2.gz	WOIKTEXAVMUSHH-UHFFFAOYSA-N	-1	1	269.351	2.254	50	0		CEAAMM
CC[C@H](C(=O)[O-])N1CCO[C@@H](c2ccc(F)c(F)c2)C1	ZINC000249042606	371286386	/nfs/dbraw/zinc/28/63/86/371286386.db2.gz	ZROLMEVYKDIDBK-CHWSQXEVSA-N	-1	1	285.290	2.201	50	0		CEAAMM
CCOc1ccc2nc(CN3CC(C(=O)[O-])C3)ccc2c1	ZINC000252485157	371444583	/nfs/dbraw/zinc/44/45/83/371444583.db2.gz	GOFOURKPAZFCMR-UHFFFAOYSA-N	-1	1	286.331	2.150	50	0		CEAAMM
CCc1nc2c(s1)[C@H](N(C)CC(=O)[O-])CCC2	ZINC000262786178	371908680	/nfs/dbraw/zinc/90/86/80/371908680.db2.gz	QIKGMBJIGPVUDM-SECBINFHSA-N	-1	1	254.355	2.099	50	0		CEAAMM
C[C@@H](C[C@H]1CC(C)(C)OC1=O)c1n[n-]c(=S)[nH]1	ZINC000005911950	394458930	/nfs/dbraw/zinc/45/89/30/394458930.db2.gz	QNGJBKWJBLDJIY-BQBZGAKWSA-N	-1	1	255.343	2.303	50	0		CEAAMM
CC[C@@]1(c2ccc(C)cc2)C(=O)[N-]C(=S)NC1=O	ZINC000005954804	394458975	/nfs/dbraw/zinc/45/89/75/394458975.db2.gz	FOKRXEOEPBXDII-UHFFFAOYSA-N	-1	1	262.334	2.014	50	0		CEAAMM
CC[C@]1(c2ccc(C)cc2)C(=O)[N-]C(=S)NC1=O	ZINC000005954804	394458979	/nfs/dbraw/zinc/45/89/79/394458979.db2.gz	FOKRXEOEPBXDII-UHFFFAOYSA-N	-1	1	262.334	2.014	50	0		CEAAMM
Cc1ncsc1CN(C)[C@H](CC(C)C)C(=O)[O-]	ZINC000569493300	395579175	/nfs/dbraw/zinc/57/91/75/395579175.db2.gz	XGHISHOTTXHPPM-SNVBAGLBSA-N	-1	1	256.371	2.383	50	0		CEAAMM
Cc1ncsc1CN(C)[C@@H](CC(C)C)C(=O)[O-]	ZINC000569493295	395579440	/nfs/dbraw/zinc/57/94/40/395579440.db2.gz	XGHISHOTTXHPPM-JTQLQIEISA-N	-1	1	256.371	2.383	50	0		CEAAMM
CCCn1cc(CC(C(=O)[O-])C(=O)O)c2ccccc21	ZINC000004708793	170003141	/nfs/dbraw/zinc/00/31/41/170003141.db2.gz	AOPGZVZFNQNKLN-UHFFFAOYSA-N	-1	1	275.304	2.379	50	0		CEAAMM
Cc1[nH]n(-c2ccccc2Cl)c(=O)c1CC(=O)[O-]	ZINC000006678536	170225792	/nfs/dbraw/zinc/22/57/92/170225792.db2.gz	ALZANAUCJFHNRG-UHFFFAOYSA-N	-1	1	266.684	2.167	50	0		CEAAMM
CCOCCCn1c(=O)[n-]c(=S)c2c1CCCC2	ZINC000008737613	170353044	/nfs/dbraw/zinc/35/30/44/170353044.db2.gz	NIPXMHGCXQQDGC-UHFFFAOYSA-N	-1	1	268.382	2.211	50	0		CEAAMM
CCCn1nc(CNc2cccc(Cl)c2)[n-]c1=O	ZINC000071279960	176108146	/nfs/dbraw/zinc/10/81/46/176108146.db2.gz	RXFKARPABIGRHR-UHFFFAOYSA-N	-1	1	266.732	2.247	50	0		CEAAMM
C[C@H]1CN(C(=O)c2ncccc2[O-])[C@H](c2ccccc2)CO1	ZINC000128500150	300208763	/nfs/dbraw/zinc/20/87/63/300208763.db2.gz	JFOWWICYQPEVKF-JSGCOSHPSA-N	-1	1	298.342	2.389	50	0		CEAAMM
C[C@@H](c1nn[n-]n1)N(C)C(=O)c1ccc(C(F)(F)F)cc1	ZINC000584906803	803537756	/nfs/dbraw/zinc/53/77/56/803537756.db2.gz	ITGCFKJEGBNZNX-ZETCQYMHSA-N	-1	1	299.256	2.052	50	0		CEAAMM
Cc1cnc(C(=O)Nc2ccc(Cl)cc2[O-])cn1	ZINC000095974035	185050233	/nfs/dbraw/zinc/05/02/33/185050233.db2.gz	ZGCXSWJVENUKRL-UHFFFAOYSA-N	-1	1	263.684	2.396	50	0		CEAAMM
Fc1ccc(-c2cc3c4n[n-]c(=S)n4ccn3n2)cc1	ZINC000057352212	282969762	/nfs/dbraw/zinc/96/97/62/282969762.db2.gz	HTBJFIUIKQPMEU-UHFFFAOYSA-N	-1	1	285.307	2.472	50	0		CEAAMM
CCCCNC(=O)c1cnc(-c2csc(C)n2)[n-]c1=O	ZINC000092061995	180315274	/nfs/dbraw/zinc/31/52/74/180315274.db2.gz	OWGBYAQPEUGTMR-UHFFFAOYSA-N	-1	1	292.364	2.144	50	0		CEAAMM
O=C([O-])CCN1CCN(Cc2cc3ccccc3o2)CC1	ZINC000069415299	362965993	/nfs/dbraw/zinc/96/59/93/362965993.db2.gz	UKSDWKGSDALZOF-UHFFFAOYSA-N	-1	1	288.347	2.025	50	0		CEAAMM
CC(C)(C)c1ccc(NC([O-])=NO[C@H]2CCCCO2)nn1	ZINC000156214818	188249640	/nfs/dbraw/zinc/24/96/40/188249640.db2.gz	UVLKPBQFOFFVIO-LBPRGKRZSA-N	-1	1	294.355	2.354	50	0		CEAAMM
CC(C)(C)c1ccc(NC(=O)[N-]O[C@H]2CCCCO2)nn1	ZINC000156214818	188249641	/nfs/dbraw/zinc/24/96/41/188249641.db2.gz	UVLKPBQFOFFVIO-LBPRGKRZSA-N	-1	1	294.355	2.354	50	0		CEAAMM
CC[C@H]1c2cccn2CCN1C(=O)c1ncccc1[O-]	ZINC000132189940	366125316	/nfs/dbraw/zinc/12/53/16/366125316.db2.gz	NKZRJUPYOYIZFT-NSHDSACASA-N	-1	1	271.320	2.196	50	0		CEAAMM
CCOC(=O)[C@@H]1CCCCN1C(=O)c1cc(F)ccc1[O-]	ZINC000132868960	366176783	/nfs/dbraw/zinc/17/67/83/366176783.db2.gz	GLDPDKYKAIFEKF-LBPRGKRZSA-N	-1	1	295.310	2.089	50	0		CEAAMM
COc1ccccc1[C@@H](C)CC(=O)[N-]OC(C)(C)CO	ZINC000297264299	200129216	/nfs/dbraw/zinc/12/92/16/200129216.db2.gz	RNMRIKAQCJKEIG-NSHDSACASA-N	-1	1	281.352	2.008	50	0		CEAAMM
Cc1cc(=O)n(-c2ccc(C(=O)OC(C)C)cc2)[n-]1	ZINC000001004379	361196121	/nfs/dbraw/zinc/19/61/21/361196121.db2.gz	FNKJSFWVCJGGTB-UHFFFAOYSA-N	-1	1	260.293	2.364	50	0		CEAAMM
COc1cc(OC)c(OC)cc1C=C1SC(=O)[N-]C1=O	ZINC000003029880	361261292	/nfs/dbraw/zinc/26/12/92/361261292.db2.gz	PETNECZRRAKFGX-VZUCSPMQSA-N	-1	1	295.316	2.036	50	0		CEAAMM
Cc1ccc(N)cc1S(=O)(=O)[N-]c1ccccc1	ZINC000004522214	361319617	/nfs/dbraw/zinc/31/96/17/361319617.db2.gz	HCAKHJQTCPZXPR-UHFFFAOYSA-N	-1	1	262.334	2.378	50	0		CEAAMM
Cc1noc(C)c1S(=O)(=O)[N-]Cc1cccc(C)c1	ZINC000012824068	361402189	/nfs/dbraw/zinc/40/21/89/361402189.db2.gz	ZBYRFGZJIZSLDZ-UHFFFAOYSA-N	-1	1	280.349	2.078	50	0		CEAAMM
O=C(Nc1ccc(-n2ccnc2)nc1)c1ccccc1[O-]	ZINC000024900996	361616312	/nfs/dbraw/zinc/61/63/12/361616312.db2.gz	GKFYBPRZOLDJKH-UHFFFAOYSA-N	-1	1	280.287	2.225	50	0		CEAAMM
CC[C@H]1CN(C(=O)c2cc(Cl)ccc2[O-])CCO1	ZINC000030597144	361699855	/nfs/dbraw/zinc/69/98/55/361699855.db2.gz	WIEYVXXZMLSRDK-JTQLQIEISA-N	-1	1	269.728	2.297	50	0		CEAAMM
CC[C@@H]1CN(C(=O)c2cc(Cl)ccc2[O-])CCO1	ZINC000030597143	361700141	/nfs/dbraw/zinc/70/01/41/361700141.db2.gz	WIEYVXXZMLSRDK-SNVBAGLBSA-N	-1	1	269.728	2.297	50	0		CEAAMM
O=C(NCc1ccon1)c1ccc(Br)c([O-])c1	ZINC000095449898	364383949	/nfs/dbraw/zinc/38/39/49/364383949.db2.gz	CBTKLHOEQLXWAT-UHFFFAOYSA-N	-1	1	297.108	2.073	50	0		CEAAMM
CS(=O)(=O)[N-]c1ccc(Oc2ccccc2)cn1	ZINC000097098337	364449823	/nfs/dbraw/zinc/44/98/23/364449823.db2.gz	IKRZTXYFXJIZLO-UHFFFAOYSA-N	-1	1	264.306	2.245	50	0		CEAAMM
CCc1n[nH]c([N-]S(=O)(=O)c2cccc(F)c2)c1C	ZINC000097103906	364451631	/nfs/dbraw/zinc/45/16/31/364451631.db2.gz	ZNUGFDOYBAAKOK-UHFFFAOYSA-N	-1	1	283.328	2.220	50	0		CEAAMM
O=S(=O)(C[C@@H]1CCCO1)[N-]c1cccc(Cl)c1F	ZINC000171806024	367619922	/nfs/dbraw/zinc/61/99/22/367619922.db2.gz	NGMXGMWAIWBVMC-QMMMGPOBSA-N	-1	1	293.747	2.400	50	0		CEAAMM
COCCN(C(=O)c1cncc([O-])c1)[C@@H]1CC[C@H](C)C1	ZINC000330623845	203050879	/nfs/dbraw/zinc/05/08/79/203050879.db2.gz	QDFMHCQIUDVFBZ-WCQYABFASA-N	-1	1	278.352	2.064	50	0		CEAAMM
COC(=O)c1ccc([O-])c(NC(=O)C2(C)CCC2)c1	ZINC000253424232	371519802	/nfs/dbraw/zinc/51/98/02/371519802.db2.gz	BYQMNNADWLSNEM-UHFFFAOYSA-N	-1	1	263.293	2.308	50	0		CEAAMM
Cc1ccc(-n2ncc3c4n[n-]c(=S)n4cnc32)c(C)c1	ZINC000005968046	170164516	/nfs/dbraw/zinc/16/45/16/170164516.db2.gz	BMRIFMVJSZJDME-UHFFFAOYSA-N	-1	1	296.359	2.369	50	0		CEAAMM
Cn1c(CNC(=O)c2ccc(Cl)cc2)n[n-]c1=S	ZINC000006557168	170213305	/nfs/dbraw/zinc/21/33/05/170213305.db2.gz	OLFIKZUUVJZONE-UHFFFAOYSA-N	-1	1	282.756	2.061	50	0		CEAAMM
COc1ccc(C=C2SC(=O)[N-]C2=O)cc1OC	ZINC000009331564	170372467	/nfs/dbraw/zinc/37/24/67/170372467.db2.gz	ARJGUVIAPHIKLE-UXBLZVDNSA-N	-1	1	265.290	2.028	50	0		CEAAMM
Cc1cc(C)c2oc(=O)cc(C[P@](=O)([O-])O)c2c1	ZINC000020761500	171272293	/nfs/dbraw/zinc/27/22/93/171272293.db2.gz	MZPRUZNCNSZUHJ-UHFFFAOYSA-N	-1	1	268.205	2.088	50	0		CEAAMM
Nc1cc(S(=O)(=O)[N-]c2cccc(Cl)c2)ccc1O	ZINC000003885415	260013415	/nfs/dbraw/zinc/01/34/15/260013415.db2.gz	ANLCKXQKXHOMGI-UHFFFAOYSA-N	-1	1	298.751	2.429	50	0		CEAAMM
CC(C)[C@H]1Cc2ccccc2-c2nc(NN)[n-]c(=O)c21	ZINC000005817989	277966319	/nfs/dbraw/zinc/96/63/19/277966319.db2.gz	KCTTYICCWNSKNG-LLVKDONJSA-N	-1	1	270.336	2.018	50	0		CEAAMM
CN1CCN(c2ncccc2C(=O)[O-])[C@H](c2ccccc2)C1	ZINC000091689894	290059578	/nfs/dbraw/zinc/05/95/78/290059578.db2.gz	HCVDLMUVEGPGGH-HNNXBMFYSA-N	-1	1	297.358	2.273	50	0	in-vitro	CEAAMM
O=C(Nc1n[n-]c(C(F)(F)F)n1)[C@H]1CC=CCC1	ZINC000036396954	361846272	/nfs/dbraw/zinc/84/62/72/361846272.db2.gz	SVWYLUSZEOJQBO-LURJTMIESA-N	-1	1	260.219	2.118	50	0		CEAAMM
Cc1cc([C@@H](C)C(=O)NCc2n[n-]c(=S)n2C)c(C)o1	ZINC000066625668	362877029	/nfs/dbraw/zinc/87/70/29/362877029.db2.gz	WLBLLVQRPPGMJO-MRVPVSSYSA-N	-1	1	294.380	2.107	50	0		CEAAMM
CCO[N-]C(=O)[C@H]1CC(=O)N(c2cccc3ccccc32)C1	ZINC000022874422	361590016	/nfs/dbraw/zinc/59/00/16/361590016.db2.gz	PUVRSJYOZXUEGG-ZDUSSCGKSA-N	-1	1	298.342	2.260	50	0		CEAAMM
O=C(Nc1nnn[n-]1)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl	ZINC000089768389	363999941	/nfs/dbraw/zinc/99/99/41/363999941.db2.gz	GWKZPBBIGROEFZ-SFYZADRCSA-N	-1	1	298.133	2.249	50	0		CEAAMM
O=C(Nc1nn[n-]n1)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl	ZINC000089768389	363999942	/nfs/dbraw/zinc/99/99/42/363999942.db2.gz	GWKZPBBIGROEFZ-SFYZADRCSA-N	-1	1	298.133	2.249	50	0		CEAAMM
Cc1ccccc1[C@H]1CN(CCC(=O)[O-])[C@@H](C)CO1	ZINC000237702497	370745532	/nfs/dbraw/zinc/74/55/32/370745532.db2.gz	QUJPCAHGEZYQIO-GXTWGEPZSA-N	-1	1	263.337	2.232	50	0		CEAAMM
O=S(=O)(C[C@H]1CCCO1)[N-]c1cccc(Cl)c1F	ZINC000171806029	367619973	/nfs/dbraw/zinc/61/99/73/367619973.db2.gz	NGMXGMWAIWBVMC-MRVPVSSYSA-N	-1	1	293.747	2.400	50	0		CEAAMM
CCc1cc(=O)[n-]c(SCc2nc(C(C)C)no2)n1	ZINC000195070121	370102323	/nfs/dbraw/zinc/10/23/23/370102323.db2.gz	GFRPLTGGHYEOND-UHFFFAOYSA-N	-1	1	280.353	2.131	50	0		CEAAMM
C[C@@H](c1ccncn1)N(C)Cc1ccccc1C(=O)[O-]	ZINC000215701436	370179837	/nfs/dbraw/zinc/17/98/37/370179837.db2.gz	RSANWHGCGHPPGW-NSHDSACASA-N	-1	1	271.320	2.368	50	0		CEAAMM
CC[C@@H]1c2cccn2CCN1C(=O)c1cccc2nn[nH]c21	ZINC000225481521	394469360	/nfs/dbraw/zinc/46/93/60/394469360.db2.gz	SRZKFJKCYDGBCD-CYBMUJFWSA-N	-1	1	295.346	2.367	50	0		CEAAMM
CCCc1[n-]n(C)c(=N)c1-c1ccc2c(c1)OCO2	ZINC000102968117	400256584	/nfs/dbraw/zinc/25/65/84/400256584.db2.gz	HVJCQTMTFLBIAB-UHFFFAOYSA-N	-1	1	259.309	2.181	50	0		CEAAMM
CCCc1cc(=O)[n-]c(SCC(=O)N[C@@H](C)CCC)n1	ZINC000007654230	170296226	/nfs/dbraw/zinc/29/62/26/170296226.db2.gz	NPKFGCBBMFFSLJ-JTQLQIEISA-N	-1	1	297.424	2.119	50	0		CEAAMM
COc1ccc(C(C)=O)cc1CSc1nccc(=O)[n-]1	ZINC000008626629	170343395	/nfs/dbraw/zinc/34/33/95/170343395.db2.gz	JQXANOKQUQWMJE-UHFFFAOYSA-N	-1	1	290.344	2.273	50	0		CEAAMM
O=c1[n-]c(=S)c2c(n1Cc1ccccc1)CCC2	ZINC000008737564	170352965	/nfs/dbraw/zinc/35/29/65/170352965.db2.gz	VVSMJPAZPVICMT-UHFFFAOYSA-N	-1	1	258.346	2.443	50	0		CEAAMM
Nc1cc(=O)[n-]c(=S)n1Cc1ccccc1Cl	ZINC000009318553	170371926	/nfs/dbraw/zinc/37/19/26/170371926.db2.gz	HRDPKAMFSCAHHO-UHFFFAOYSA-N	-1	1	267.741	2.190	50	0		CEAAMM
O=C(CS(=O)(=O)[N-]c1ccccc1)Nc1ccccc1	ZINC000038784727	174155491	/nfs/dbraw/zinc/15/54/91/174155491.db2.gz	JGCHBOZOLXIVDL-UHFFFAOYSA-N	-1	1	290.344	2.067	50	0		CEAAMM
CCOC(=O)c1[n-]c2c(c1Br)CCCC2=O	ZINC000039128900	174164158	/nfs/dbraw/zinc/16/41/58/174164158.db2.gz	WDVQSFIVYXRDAC-UHFFFAOYSA-N	-1	1	286.125	2.473	50	0		CEAAMM
Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1cccc(F)c1F	ZINC000040231455	174209939	/nfs/dbraw/zinc/20/99/39/174209939.db2.gz	KRUAKURVQDADII-UHFFFAOYSA-N	-1	1	287.291	2.106	50	0		CEAAMM
C[C@@H]1CN(C(=O)c2ncccc2[O-])[C@H]2CCCC[C@H]12	ZINC000153200813	288062809	/nfs/dbraw/zinc/06/28/09/288062809.db2.gz	WZSPPLGBRHSIDF-UTUOFQBUSA-N	-1	1	260.337	2.438	50	0		CEAAMM
O=C1[N-]C(=S)S/C1=C\c1ccccc1-n1cccn1	ZINC000001384349	280282067	/nfs/dbraw/zinc/28/20/67/280282067.db2.gz	OFKHXKCQAZRBHJ-FLIBITNWSA-N	-1	1	287.369	2.361	50	0		CEAAMM
CS(=O)(=O)[N-]c1ccc(-c2cccc3c2OCC3)cn1	ZINC000534579061	328311192	/nfs/dbraw/zinc/31/11/92/328311192.db2.gz	OTVUXGSMAYEBOF-UHFFFAOYSA-N	-1	1	290.344	2.055	50	0		CEAAMM
CCn1c(=O)cc([O-])nc1SCc1ccccc1	ZINC000016513434	810533001	/nfs/dbraw/zinc/53/30/01/810533001.db2.gz	INSKQDKVVBILJZ-UHFFFAOYSA-N	-1	1	262.334	2.261	50	0		CEAAMM
C[C@H](OC[C@H]1CCCO1)C(=O)Nc1c([O-])cccc1F	ZINC000095960411	185043124	/nfs/dbraw/zinc/04/31/24/185043124.db2.gz	UYFITOQBORMLQI-VHSXEESVSA-N	-1	1	283.299	2.054	50	0		CEAAMM
CC(C)n1ccnc1CSc1nc2c(c(=O)[n-]1)CCC2	ZINC000095990989	185058114	/nfs/dbraw/zinc/05/81/14/185058114.db2.gz	KEYOOJOGNDEWLR-UHFFFAOYSA-N	-1	1	290.392	2.328	50	0		CEAAMM
CCc1cc([N-]S(=O)(=O)c2ccc(F)c(C)c2)[nH]n1	ZINC000079106527	343973369	/nfs/dbraw/zinc/97/33/69/343973369.db2.gz	CFDJYORIIVXRBN-UHFFFAOYSA-N	-1	1	283.328	2.220	50	0		CEAAMM
C[C@H]1C[C@@H](C(=O)Nc2[n-]c(=O)ncc2F)CC(C)(C)C1	ZINC000170605957	344486199	/nfs/dbraw/zinc/48/61/99/344486199.db2.gz	QESYLTSMQNHVAP-DTWKUNHWSA-N	-1	1	281.331	2.310	50	0		CEAAMM
Cc1ccnc(C[C@H](C)N(C)C(=O)c2ncccc2[O-])c1	ZINC000055414498	362550576	/nfs/dbraw/zinc/55/05/76/362550576.db2.gz	JBEHKPKWIMFQQQ-LBPRGKRZSA-N	-1	1	285.347	2.194	50	0		CEAAMM
N=c1oc2cc([O-])ccc2cc1C(=O)NCc1ccco1	ZINC000057523852	362582928	/nfs/dbraw/zinc/58/29/28/362582928.db2.gz	ZTZTZZAPIPHULX-UHFFFAOYSA-N	-1	1	284.271	2.141	50	0		CEAAMM
Cc1c2ccccc2oc1C(=O)[N-]N1CCCCC1=O	ZINC000058163523	362609844	/nfs/dbraw/zinc/60/98/44/362609844.db2.gz	NWXNUUWSJOLPDC-UHFFFAOYSA-N	-1	1	272.304	2.399	50	0		CEAAMM
Cc1cccn2cc(CC(=O)[N-]OCc3ccccc3)nc12	ZINC000065565764	362837391	/nfs/dbraw/zinc/83/73/91/362837391.db2.gz	ZISLPHZQAAMUKI-UHFFFAOYSA-N	-1	1	295.342	2.433	50	0		CEAAMM
CN(CC(=O)c1ccc([O-])cc1)C(=O)c1cccs1	ZINC000067677664	362918448	/nfs/dbraw/zinc/91/84/48/362918448.db2.gz	QQSLNGMJUXHHBL-UHFFFAOYSA-N	-1	1	275.329	2.409	50	0		CEAAMM
O=C([O-])CCc1cc2n(n1)CCN(C[C@@H]1CC=CCC1)C2	ZINC000091351079	180137606	/nfs/dbraw/zinc/13/76/06/180137606.db2.gz	AGYKCTXNZUAUAF-CYBMUJFWSA-N	-1	1	289.379	2.072	50	0		CEAAMM
C[C@H]1CN(CCCC(=O)[O-])C[C@H](c2ccsc2)O1	ZINC000131596435	366069365	/nfs/dbraw/zinc/06/93/65/366069365.db2.gz	FRBGXYYTQFQZQG-CMPLNLGQSA-N	-1	1	269.366	2.375	50	0		CEAAMM
Cc1c(N[C@H](C)C(C)C)cccc1C(=O)Nc1nnn[n-]1	ZINC000078986508	363561347	/nfs/dbraw/zinc/56/13/47/363561347.db2.gz	FUHDVSMBXMLPGX-SNVBAGLBSA-N	-1	1	288.355	2.217	50	0		CEAAMM
Cc1c(N[C@H](C)C(C)C)cccc1C(=O)Nc1nn[n-]n1	ZINC000078986508	363561353	/nfs/dbraw/zinc/56/13/53/363561353.db2.gz	FUHDVSMBXMLPGX-SNVBAGLBSA-N	-1	1	288.355	2.217	50	0		CEAAMM
CCOC(=O)c1nn(-c2ccc(C)c(C)c2)cc1[O-]	ZINC000000142846	361135125	/nfs/dbraw/zinc/13/51/25/361135125.db2.gz	VEXFXKXHDNPPAT-UHFFFAOYSA-N	-1	1	260.293	2.371	50	0		CEAAMM
O=C1c2ccc([O-])cc2OC[C@H]1c1ccc(O)cc1	ZINC000003833872	361290486	/nfs/dbraw/zinc/29/04/86/361290486.db2.gz	JHYXBPPMXZIHKG-ZDUSSCGKSA-N	-1	1	256.257	2.457	50	0	endogenous,in-man	CEAAMM
COCCC(C)(C)NC(=O)c1ccc([O-])cc1F	ZINC000398356439	256848270	/nfs/dbraw/zinc/84/82/70/256848270.db2.gz	VPWUMBTZOFECAX-UHFFFAOYSA-N	-1	1	255.289	2.076	50	0		CEAAMM
CCCCc1c([O-])[nH]c(=O)n(C2CCCCC2)c1=O	ZINC000002040305	394452471	/nfs/dbraw/zinc/45/24/71/394452471.db2.gz	DVEQCIBLXRSYPH-NSHDSACASA-N	-1	1	266.341	2.204	50	0	in-man	CEAAMM
C[C@@H](C(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](c2ccc(F)cc2)C1	ZINC000237525836	394491993	/nfs/dbraw/zinc/49/19/93/394491993.db2.gz	QXKOOQOYUQNMLO-GBIKHYSHSA-N	-1	1	267.300	2.061	50	0		CEAAMM
O=S(=O)([N-]c1c(O)cccc1F)c1ccccc1	ZINC000096427069	394689160	/nfs/dbraw/zinc/68/91/60/394689160.db2.gz	LTOBFWQAVYYJID-UHFFFAOYSA-N	-1	1	267.281	2.332	50	0		CEAAMM
Cc1ccc(NC(=O)Cc2n[n-]c(=S)n2C)c(C)c1	ZINC000004735927	170007534	/nfs/dbraw/zinc/00/75/34/170007534.db2.gz	XSWOSELPYDGVBC-UHFFFAOYSA-N	-1	1	276.365	2.276	50	0		CEAAMM
C[C@@H](NC(=O)c1ccccc1F)c1n[n-]c(=S)n1C	ZINC000004739070	170008550	/nfs/dbraw/zinc/00/85/50/170008550.db2.gz	IPPYELSJFPZNMY-SSDOTTSWSA-N	-1	1	280.328	2.108	50	0		CEAAMM
O=C(OCc1cc(=O)oc2cc([O-])ccc12)c1ccco1	ZINC000005856761	170147655	/nfs/dbraw/zinc/14/76/55/170147655.db2.gz	MIAHIEZEXMHMDH-UHFFFAOYSA-N	-1	1	286.239	2.449	50	0		CEAAMM
COc1ccc(C(C)(C)C)cc1[N-]S(C)(=O)=O	ZINC000006706443	170230812	/nfs/dbraw/zinc/23/08/12/170230812.db2.gz	UQWMWYYEEYPBLI-UHFFFAOYSA-N	-1	1	257.355	2.364	50	0		CEAAMM
CCOCCCn1c(CCn2cc(C)cn2)n[n-]c1=S	ZINC000008253222	170326975	/nfs/dbraw/zinc/32/69/75/170326975.db2.gz	VLRROJIJFRORJL-UHFFFAOYSA-N	-1	1	295.412	2.115	50	0		CEAAMM
COCc1cc(=O)[n-]c(Nc2nc3ccccc3s2)n1	ZINC000008973828	170359851	/nfs/dbraw/zinc/35/98/51/170359851.db2.gz	KYFLDHKXVLSCKA-UHFFFAOYSA-N	-1	1	288.332	2.270	50	0		CEAAMM
COc1ccc(C(=O)Nc2ccc(N(C)C)nc2)c([O-])c1	ZINC000022327040	171385108	/nfs/dbraw/zinc/38/51/08/171385108.db2.gz	JLMDYEXBZRLBLZ-UHFFFAOYSA-N	-1	1	287.319	2.114	50	0		CEAAMM
O=C([O-])[C@@H]1CCCN(Cc2ccc(Cl)nc2)C1	ZINC000022637490	171395092	/nfs/dbraw/zinc/39/50/92/171395092.db2.gz	WWUKAPRRWHAJNW-SNVBAGLBSA-N	-1	1	254.717	2.032	50	0		CEAAMM
CCc1ccc(C(=O)NCCc2n[n-]c(=S)n2C)cc1	ZINC000071847018	176276189	/nfs/dbraw/zinc/27/61/89/176276189.db2.gz	WWYSCSAYLVXVRW-UHFFFAOYSA-N	-1	1	290.392	2.013	50	0		CEAAMM
CCc1ccc(C(=O)NCc2n[n-]c(=S)n2C2CC2)o1	ZINC000078502678	177347630	/nfs/dbraw/zinc/34/76/30/177347630.db2.gz	RWWNSROZDNZKFC-UHFFFAOYSA-N	-1	1	292.364	2.361	50	0		CEAAMM
Cc1ccc(S(=O)(=O)[N-]c2ccc(N(C)C)nc2)cc1	ZINC000078556723	177354350	/nfs/dbraw/zinc/35/43/50/177354350.db2.gz	AUFDWCIEGFLXNS-UHFFFAOYSA-N	-1	1	291.376	2.257	50	0		CEAAMM
CC(C)N(C[C@H]1CCCCO1)C(=O)c1ncccc1[O-]	ZINC000097165528	279456849	/nfs/dbraw/zinc/45/68/49/279456849.db2.gz	MWFJRYAJQCDBIK-GFCCVEGCSA-N	-1	1	278.352	2.207	50	0		CEAAMM
Cc1cnn([C@@H](C)CNC(=O)c2ccc([O-])c(F)c2)c1	ZINC000534642205	328328748	/nfs/dbraw/zinc/32/87/48/328328748.db2.gz	QGGYYIGLWQAXIS-JTQLQIEISA-N	-1	1	277.299	2.027	50	0		CEAAMM
CC[C@@H](C(=O)[O-])N(C)Cc1c(F)c(F)ccc1OC	ZINC000534659072	328341980	/nfs/dbraw/zinc/34/19/80/328341980.db2.gz	FJGHKMQTKMQAJW-JTQLQIEISA-N	-1	1	273.279	2.268	50	0		CEAAMM
C[C@@H](CNC(=O)c1cc(F)ccc1[O-])c1ccncc1	ZINC000096456626	534034334	/nfs/dbraw/zinc/03/43/34/534034334.db2.gz	RNZLLXYLTIQOCX-JTQLQIEISA-N	-1	1	274.295	2.460	50	0		CEAAMM
CCCc1cc([N-]S(=O)(=O)Cc2cccc(F)c2)n[nH]1	ZINC000096474364	528612707	/nfs/dbraw/zinc/61/27/07/528612707.db2.gz	FMKOUPLEKWCHBI-UHFFFAOYSA-N	-1	1	297.355	2.443	50	0		CEAAMM
CC(C)c1ccsc1C(=O)N(C)C[C@@H](C)c1nn[n-]n1	ZINC000124043527	344312948	/nfs/dbraw/zinc/31/29/48/344312948.db2.gz	UXQVVAQCZKASKA-SECBINFHSA-N	-1	1	293.396	2.260	50	0		CEAAMM
C[C@@H](c1ccc(F)cc1F)N1CCN(CCC(=O)[O-])CC1	ZINC000069415301	362965920	/nfs/dbraw/zinc/96/59/20/362965920.db2.gz	CKZSDDUDLCKKTF-NSHDSACASA-N	-1	1	298.333	2.118	50	0		CEAAMM
COc1ccc(Cc2n[n-]c(=S)n2C)cc1OC	ZINC000000040744	361119983	/nfs/dbraw/zinc/11/99/83/361119983.db2.gz	URWHNFARBIXLGN-UHFFFAOYSA-N	-1	1	265.338	2.086	50	0		CEAAMM
Cc1cc(NC(=O)C(=S)[N-]Cc2ccccc2)no1	ZINC000000040954	361120131	/nfs/dbraw/zinc/12/01/31/361120131.db2.gz	FHICBGMCDMDQNP-UHFFFAOYSA-N	-1	1	275.333	2.039	50	0		CEAAMM
COc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cn1	ZINC000000157915	361136889	/nfs/dbraw/zinc/13/68/89/361136889.db2.gz	VRWWMYBMZMGAKZ-UHFFFAOYSA-N	-1	1	282.296	2.030	50	0		CEAAMM
O=c1c(-c2nnnn2-c2ccccc2)c[n-]c2ccccc21	ZINC000000161342	361137384	/nfs/dbraw/zinc/13/73/84/361137384.db2.gz	NGEIPYOKTRAGQC-UHFFFAOYSA-N	-1	1	289.298	2.171	50	0		CEAAMM
CCOc1ccc(Nc2nc(CC)cc(=O)[n-]2)cc1	ZINC000011903431	361368560	/nfs/dbraw/zinc/36/85/60/361368560.db2.gz	XYCXEQYKPFXYHC-UHFFFAOYSA-N	-1	1	259.309	2.475	50	0		CEAAMM
COc1ccc2[n-]cc(C(=O)c3ccncc3)c(=O)c2c1	ZINC000012415922	361383924	/nfs/dbraw/zinc/38/39/24/361383924.db2.gz	PRWZRSOSMOPGBB-UHFFFAOYSA-N	-1	1	280.283	2.163	50	0		CEAAMM
COc1cc(C=C2SC(=O)[N-]C2=O)cc(OC)c1OC	ZINC000013765584	361442261	/nfs/dbraw/zinc/44/22/61/361442261.db2.gz	QDFOIPGNWHJEBT-POHAHGRESA-N	-1	1	295.316	2.036	50	0		CEAAMM
O=C(NC1CC1)c1c[n-]c2cc(Cl)ccc2c1=O	ZINC000020738136	361584719	/nfs/dbraw/zinc/58/47/19/361584719.db2.gz	IOHLVOYNERGJSP-UHFFFAOYSA-N	-1	1	262.696	2.074	50	0		CEAAMM
CCC[C@H](NC(=O)[C@@H](C)Cc1ccccc1)c1nn[n-]n1	ZINC000089949523	364021712	/nfs/dbraw/zinc/02/17/12/364021712.db2.gz	UVFSNJJMMPTPTE-AAEUAGOBSA-N	-1	1	287.367	2.036	50	0		CEAAMM
CCC[C@@H](NC(=O)[C@H](C)c1cccs1)c1nn[n-]n1	ZINC000089949545	364022707	/nfs/dbraw/zinc/02/27/07/364022707.db2.gz	PBGCRSQOEJXAAQ-RKDXNWHRSA-N	-1	1	279.369	2.022	50	0		CEAAMM
CCO[P@]1(=O)[N-]C(=O)N(c2ccccc2)N=C1C(C)=O	ZINC000096191917	364408927	/nfs/dbraw/zinc/40/89/27/364408927.db2.gz	FYSICJCKJUWQIJ-FQEVSTJZSA-N	-1	1	295.235	2.348	50	0		CEAAMM
COCCN(C)[C@@H](C(=O)[O-])c1c(C)cccc1C	ZINC000095360084	364344838	/nfs/dbraw/zinc/34/48/38/364344838.db2.gz	PYAHKVVXMFOAIO-CYBMUJFWSA-N	-1	1	251.326	2.007	50	0		CEAAMM
COCCN(C)[C@H](C(=O)[O-])c1c(C)cccc1C	ZINC000095360083	364345101	/nfs/dbraw/zinc/34/51/01/364345101.db2.gz	PYAHKVVXMFOAIO-ZDUSSCGKSA-N	-1	1	251.326	2.007	50	0		CEAAMM
CCCc1nc(C)c(CNC(=O)c2ncccc2[O-])s1	ZINC000219237818	370221303	/nfs/dbraw/zinc/22/13/03/370221303.db2.gz	GKJCEOMRXCYCRL-UHFFFAOYSA-N	-1	1	291.376	2.435	50	0		CEAAMM
CN(Cc1ccccc1OCC(=O)[O-])C[C@H]1CCCCO1	ZINC000216544858	370190315	/nfs/dbraw/zinc/19/03/15/370190315.db2.gz	QMKQEAVPTUDFKS-CQSZACIVSA-N	-1	1	293.363	2.151	50	0		CEAAMM
COc1ccc(O)c(C(C)=NNc2nc(C)cc(=O)[n-]2)c1	ZINC000254671518	371537004	/nfs/dbraw/zinc/53/70/04/371537004.db2.gz	VRNCWIOUMMIRDF-UHFFFAOYSA-N	-1	1	288.307	2.041	50	0		CEAAMM
CC(C)(C)c1cc(CN2CCCC[C@H]2C(=O)[O-])n[nH]1	ZINC000244840355	394496618	/nfs/dbraw/zinc/49/66/18/394496618.db2.gz	ULIZXSJUTWYZLD-NSHDSACASA-N	-1	1	265.357	2.146	50	0		CEAAMM
CC(=O)c1c([O-])cc(C)n(-c2ccc(F)cc2)c1=O	ZINC000103731437	400259122	/nfs/dbraw/zinc/25/91/22/400259122.db2.gz	RQIWHZVZZYNFAD-UHFFFAOYSA-N	-1	1	261.252	2.193	50	0		CEAAMM
CCn1c(=S)[n-]nc1[C@@H](C)NC(=O)c1ccccc1	ZINC000005445070	170099799	/nfs/dbraw/zinc/09/97/99/170099799.db2.gz	JAJOQWVBNNXVIR-SECBINFHSA-N	-1	1	276.365	2.452	50	0		CEAAMM
O=C(Nc1ccccn1)c1[n-]cnc1C(=O)c1ccccc1	ZINC000006499384	170207202	/nfs/dbraw/zinc/20/72/02/170207202.db2.gz	XWEAHMYQJKXLML-UHFFFAOYSA-N	-1	1	292.298	2.288	50	0		CEAAMM
CCCc1[n-][nH]c(=O)c1[C@H]1OC(=O)c2ccccc21	ZINC000009355657	170373672	/nfs/dbraw/zinc/37/36/72/170373672.db2.gz	GPPHBSUJJNHWHS-LBPRGKRZSA-N	-1	1	258.277	2.328	50	0		CEAAMM
O=C(Nc1nc(Br)ccc1[O-])c1ccncc1	ZINC000095945741	280054981	/nfs/dbraw/zinc/05/49/81/280054981.db2.gz	QCRIEBGDSYENFW-UHFFFAOYSA-N	-1	1	294.108	2.197	50	0		CEAAMM
Nc1cc(=O)[n-]c(=S)n1-c1ccc(Cl)cc1	ZINC000000337989	295347288	/nfs/dbraw/zinc/34/72/88/295347288.db2.gz	MEVVPIPZBNIUQF-UHFFFAOYSA-N	-1	1	253.714	2.131	50	0		CEAAMM
CC1=C(CNCc2n[nH]c(=O)[n-]2)C(C)(C)CCC1	ZINC000952860863	815071733	/nfs/dbraw/zinc/07/17/33/815071733.db2.gz	AGQZGUKXMDOCPR-UHFFFAOYSA-N	-1	1	250.346	2.127	50	0		CEAAMM
Cc1cc(C)c(-c2ccc([N-]S(C)(=O)=O)nc2)c(C)c1	ZINC000067641224	362914009	/nfs/dbraw/zinc/91/40/09/362914009.db2.gz	BROKPDMAYXTRIX-UHFFFAOYSA-N	-1	1	290.388	2.467	50	0		CEAAMM
CCC[C@@H]1CN(c2[nH+]c(C)ccc2C(=O)[O-])C[C@H]1C(=O)[O-]	ZINC000092066733	180316083	/nfs/dbraw/zinc/31/60/83/180316083.db2.gz	AQKNMNXMTMYKDK-ZYHUDNBSSA-N	-1	1	292.335	2.025	50	0		CEAAMM
Cc1cnc(C(C)(C)NC(=O)c2ncccc2[O-])s1	ZINC000130683376	187512854	/nfs/dbraw/zinc/51/28/54/187512854.db2.gz	JXLSTTWYAONLNE-UHFFFAOYSA-N	-1	1	277.349	2.217	50	0		CEAAMM
O=S(=O)([N-]c1ccc2c(c1)OCCO2)c1ccccc1	ZINC000000282872	361156715	/nfs/dbraw/zinc/15/67/15/361156715.db2.gz	FFPWMHTVRPZIQF-UHFFFAOYSA-N	-1	1	291.328	2.259	50	0		CEAAMM
CCOC(=O)[N-]C(=O)c1cnn(-c2ccccc2)c1C	ZINC000000361758	361164597	/nfs/dbraw/zinc/16/45/97/361164597.db2.gz	XZXDGLYNJLGGFA-UHFFFAOYSA-N	-1	1	273.292	2.067	50	0		CEAAMM
O=C(C=Cc1c(Cl)cccc1Cl)Nc1nnn[n-]1	ZINC000002767667	361249297	/nfs/dbraw/zinc/24/92/97/361249297.db2.gz	PVYJCVNNLUPQGI-SNAWJCMRSA-N	-1	1	284.106	2.158	50	0		CEAAMM
O=C(C=Cc1c(Cl)cccc1Cl)Nc1nn[n-]n1	ZINC000002767667	361249305	/nfs/dbraw/zinc/24/93/05/361249305.db2.gz	PVYJCVNNLUPQGI-SNAWJCMRSA-N	-1	1	284.106	2.158	50	0		CEAAMM
CCOC(=O)CCc1cc2c(C)cc(=O)oc2cc1[O-]	ZINC000011764596	361363660	/nfs/dbraw/zinc/36/36/60/361363660.db2.gz	AMBHHHSHKCNHDZ-UHFFFAOYSA-N	-1	1	276.288	2.303	50	0		CEAAMM
O=C(N[C@@H](c1nccs1)C1CC1)c1ncccc1[O-]	ZINC000097377894	364497201	/nfs/dbraw/zinc/49/72/01/364497201.db2.gz	DORPACYIFBFMMI-SNVBAGLBSA-N	-1	1	275.333	2.125	50	0		CEAAMM
O=c1[n-]c(Cl)ccc1I	ZINC000116051174	365033471	/nfs/dbraw/zinc/03/34/71/365033471.db2.gz	GAGFVVYAFTYTPX-UHFFFAOYSA-N	-1	1	255.442	2.045	50	0		CEAAMM
O=c1cc(C2CC2)nc(SCCOCC(F)F)[n-]1	ZINC000225444819	370295263	/nfs/dbraw/zinc/29/52/63/370295263.db2.gz	SNGBQQUCJAOXSW-UHFFFAOYSA-N	-1	1	276.308	2.433	50	0		CEAAMM
Cn1c(Cl)cnc1CN1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21	ZINC000250799057	371391755	/nfs/dbraw/zinc/39/17/55/371391755.db2.gz	ALPNXFMMNJRTHA-VWYCJHECSA-N	-1	1	297.786	2.291	50	0		CEAAMM
O=C(COC1=C([O-])CCC1=O)Nc1cccc2ccccc21	ZINC000334161262	206122200	/nfs/dbraw/zinc/12/22/00/206122200.db2.gz	XNQSMXZOJCGRCA-UHFFFAOYSA-N	-1	1	297.310	2.096	50	0		CEAAMM
CCC1(CC)Cc2ccccc2-c2nc(NN)[n-]c(=O)c21	ZINC000013110474	394463167	/nfs/dbraw/zinc/46/31/67/394463167.db2.gz	JTKNPFVJLYNBFR-UHFFFAOYSA-N	-1	1	284.363	2.336	50	0		CEAAMM
COc1cccc(OCCSc2nc(C)cc(=O)[n-]2)c1	ZINC000005118773	170067626	/nfs/dbraw/zinc/06/76/26/170067626.db2.gz	JUIWAMHSSJAZMN-UHFFFAOYSA-N	-1	1	292.360	2.258	50	0		CEAAMM
Cc1nnc([N-]C(=O)c2noc3c2CCCCC3)s1	ZINC000036354588	361842721	/nfs/dbraw/zinc/84/27/21/361842721.db2.gz	JABAXEQPPNGIEB-UHFFFAOYSA-N	-1	1	278.337	2.356	50	0		CEAAMM
CC(NCc1ccccc1)=C1SC(=S)[N-]C1=O	ZINC000039931858	361990912	/nfs/dbraw/zinc/99/09/12/361990912.db2.gz	PUBDZFMWGODFPN-CSKARUKUSA-N	-1	1	264.375	2.156	50	0		CEAAMM
CCSC[C@@H](C)N(C)C(=O)c1ncccc1[O-]	ZINC000097102427	344243029	/nfs/dbraw/zinc/24/30/29/344243029.db2.gz	WRNDFEYDMUTBGN-SECBINFHSA-N	-1	1	254.355	2.001	50	0		CEAAMM
C[C@@H](c1ccccc1)[C@@](C)(O)C(=O)Nc1ccncc1[O-]	ZINC000170072793	344484057	/nfs/dbraw/zinc/48/40/57/344484057.db2.gz	OSTAMHBYAPQIAT-MEDUHNTESA-N	-1	1	286.331	2.280	50	0		CEAAMM
Cc1ncc(CN(C)Cc2nc(=O)c3sccc3[n-]2)[nH]1	ZINC000584901023	345003336	/nfs/dbraw/zinc/00/33/36/345003336.db2.gz	WUOFHWBCLRMDOR-UHFFFAOYSA-N	-1	1	289.364	2.060	50	0		CEAAMM
O=C(NO[C@H]1CCCCO1)c1cc(Cl)ccc1[O-]	ZINC000058418222	362628198	/nfs/dbraw/zinc/62/81/98/362628198.db2.gz	PCNWOULCUBTWHC-NSHDSACASA-N	-1	1	271.700	2.234	50	0		CEAAMM
Cc1ccc(C(=O)NCc2n[n-]c(=S)n2C)cc1C	ZINC000066625962	362876967	/nfs/dbraw/zinc/87/69/67/362876967.db2.gz	XLHNHNJCALJFCM-UHFFFAOYSA-N	-1	1	276.365	2.025	50	0		CEAAMM
CCn1c(=S)[n-]nc1C1CCN(C(=O)[C@H]2C[C@H]2C)CC1	ZINC000068453907	362941667	/nfs/dbraw/zinc/94/16/67/362941667.db2.gz	JFHCGVVYKPNICA-KOLCDFICSA-N	-1	1	294.424	2.323	50	0		CEAAMM
Cc1ccc([C@H](CC(=O)[O-])NC(=O)C(F)(F)F)cc1	ZINC000002581750	538745511	/nfs/dbraw/zinc/74/55/11/538745511.db2.gz	JWJQZMWJJAIQBA-VIFPVBQESA-N	-1	1	275.226	2.189	50	0		CEAAMM
O=C([O-])COc1ccccc1CN1CC(c2ccccn2)C1	ZINC000072152244	295985688	/nfs/dbraw/zinc/98/56/88/295985688.db2.gz	ZGUGXZUBXSXULF-UHFFFAOYSA-N	-1	1	298.342	2.144	50	0		CEAAMM
CCOC(=O)c1nn(-c2ccc(C)cc2C)cc1[O-]	ZINC000000102654	361129318	/nfs/dbraw/zinc/12/93/18/361129318.db2.gz	MDTFRVIAJBDXHN-UHFFFAOYSA-N	-1	1	260.293	2.371	50	0		CEAAMM
CC(C)(C)c1ccc(C=CC(=O)Nc2nnn[n-]2)cc1	ZINC000002746680	361247273	/nfs/dbraw/zinc/24/72/73/361247273.db2.gz	PFKLKAFGJUOPAR-RMKNXTFCSA-N	-1	1	271.324	2.149	50	0		CEAAMM
CC(C)(C)c1ccc(C=CC(=O)Nc2nn[n-]n2)cc1	ZINC000002746680	361247278	/nfs/dbraw/zinc/24/72/78/361247278.db2.gz	PFKLKAFGJUOPAR-RMKNXTFCSA-N	-1	1	271.324	2.149	50	0		CEAAMM
N=c1oc2cc([O-])ccc2cc1C(=O)Nc1ccccn1	ZINC000004639031	361324568	/nfs/dbraw/zinc/32/45/68/361324568.db2.gz	SVOLOBZEQBXJPW-UHFFFAOYSA-N	-1	1	281.271	2.265	50	0		CEAAMM
C[C@@H](NC(=O)CSc1nccc(=O)[n-]1)c1ccccc1	ZINC000018172828	361515571	/nfs/dbraw/zinc/51/55/71/361515571.db2.gz	YFIPYQIJFDTDNE-SNVBAGLBSA-N	-1	1	289.360	2.152	50	0		CEAAMM
CC(=O)c1cc(C(=O)Nc2c[nH]c3ccccc23)n[n-]1	ZINC000019883606	361564475	/nfs/dbraw/zinc/56/44/75/361564475.db2.gz	MYCXMQSJUDGRHJ-UHFFFAOYSA-N	-1	1	268.276	2.346	50	0		CEAAMM
O=c1[nH]c(N2CCC[C@H]2c2cccc(F)c2)nc2[nH]ncc21	ZINC000170598841	367384160	/nfs/dbraw/zinc/38/41/60/367384160.db2.gz	YSOALZYDLHLOEV-LBPRGKRZSA-N	-1	1	299.309	2.127	50	0		CEAAMM
CC[C@H](NC(=O)c1ccc([O-])cn1)c1ccncc1	ZINC000214975600	370171639	/nfs/dbraw/zinc/17/16/39/370171639.db2.gz	UMSVFMDQLJHOGQ-LBPRGKRZSA-N	-1	1	257.293	2.063	50	0		CEAAMM
CC(=O)Nc1cccc(C(C)=NNc2nc(C)cc(=O)[n-]2)c1	ZINC000254770889	371540705	/nfs/dbraw/zinc/54/07/05/371540705.db2.gz	HZCDKAYGTODORP-UHFFFAOYSA-N	-1	1	299.334	2.285	50	0		CEAAMM
CC(C)c1cc(C(=O)N2CCCC[C@@H]2CCC(=O)[O-])n[nH]1	ZINC000236883274	394489082	/nfs/dbraw/zinc/48/90/82/394489082.db2.gz	FRABVRIFYWEZSQ-LLVKDONJSA-N	-1	1	293.367	2.393	50	0		CEAAMM
O=c1cc(C(F)(F)F)nc(SC[C@@H]2CCCO2)[n-]1	ZINC000096411935	394684025	/nfs/dbraw/zinc/68/40/25/394684025.db2.gz	SQTGAELYKMZBBE-LURJTMIESA-N	-1	1	280.271	2.472	50	0		CEAAMM
Cc1ccc(C)c(S(=O)(=O)c2c[nH]c(=S)nc2[O-])c1	ZINC000002693069	292087781	/nfs/dbraw/zinc/08/77/81/292087781.db2.gz	IBMPADQUFRQPGX-UHFFFAOYSA-N	-1	1	296.373	2.294	50	0		CEAAMM
Cc1ccc(C)c(S(=O)(=O)c2c[nH]c(=S)[n-]c2=O)c1	ZINC000002693069	292087783	/nfs/dbraw/zinc/08/77/83/292087783.db2.gz	IBMPADQUFRQPGX-UHFFFAOYSA-N	-1	1	296.373	2.294	50	0		CEAAMM
CCn1c(CC(=O)Nc2ccccc2C)n[n-]c1=S	ZINC000004739105	170008612	/nfs/dbraw/zinc/00/86/12/170008612.db2.gz	RYFYQFPOSACAPB-UHFFFAOYSA-N	-1	1	276.365	2.450	50	0		CEAAMM
Cc1noc(C)c1C(=O)[N-]c1nnc(C(F)(F)F)s1	ZINC000004805955	170020085	/nfs/dbraw/zinc/02/00/85/170020085.db2.gz	QKOAYALFQRWWIF-UHFFFAOYSA-N	-1	1	292.242	2.414	50	0		CEAAMM
O=C(CSc1nccc(=O)[n-]1)Nc1ccc(Cl)cc1	ZINC000005045222	170060209	/nfs/dbraw/zinc/06/02/09/170060209.db2.gz	OZHLZHMPKOGUPE-UHFFFAOYSA-N	-1	1	295.751	2.154	50	0		CEAAMM
O=C([O-])C[C@@H](C(=O)Nc1ccc(Cl)cc1)N1CCCC1	ZINC000005063025	170062769	/nfs/dbraw/zinc/06/27/69/170062769.db2.gz	VQULQZZCGYFODD-LBPRGKRZSA-N	-1	1	296.754	2.218	50	0		CEAAMM
CCc1c([O-])nc(SCc2ccc(F)cc2)[nH]c1=O	ZINC000005095317	170066002	/nfs/dbraw/zinc/06/60/02/170066002.db2.gz	DWWCDPNNAXZPRT-UHFFFAOYSA-N	-1	1	280.324	2.469	50	0		CEAAMM
CCn1c(=S)[n-]nc1[C@@H]1COc2ccccc2O1	ZINC000006519986	170208876	/nfs/dbraw/zinc/20/88/76/170208876.db2.gz	PPWKEJOKXQQCFC-JTQLQIEISA-N	-1	1	263.322	2.473	50	0		CEAAMM
Cc1nn(C)cc1S(=O)(=O)[N-]c1ccccc1Cl	ZINC000006726217	170233097	/nfs/dbraw/zinc/23/30/97/170233097.db2.gz	LZMZHKJVRGSQNW-UHFFFAOYSA-N	-1	1	285.756	2.183	50	0		CEAAMM
Cc1ccc(NC(=O)CSc2nc(C)cc(=O)[n-]2)cc1	ZINC000008815564	170356754	/nfs/dbraw/zinc/35/67/54/170356754.db2.gz	ODYNSZFZACLFPT-UHFFFAOYSA-N	-1	1	289.360	2.118	50	0	biogenic,in-vitro	CEAAMM
Cc1n[n-]c(=S)n1NC(=O)COc1cccc(C)c1C	ZINC000014185684	170622375	/nfs/dbraw/zinc/62/23/75/170622375.db2.gz	SWDFUXFHLSRYBO-UHFFFAOYSA-N	-1	1	292.364	2.015	50	0		CEAAMM
Cn1c(CCC(=O)Nc2ccccc2)n[n-]c1=S	ZINC000038536730	174144696	/nfs/dbraw/zinc/14/46/96/174144696.db2.gz	MVGALVOUKPYWML-UHFFFAOYSA-N	-1	1	262.338	2.049	50	0		CEAAMM
O=C1[N-]C(=S)NC1=Cc1c(Cl)cccc1Cl	ZINC000012368604	280281231	/nfs/dbraw/zinc/28/12/31/280281231.db2.gz	RNPXRLBHRIWCDV-YWEYNIOJSA-N	-1	1	273.144	2.339	50	0		CEAAMM
Cc1cc(C)n(-n2c(=O)c3ccccc3[n-]c2=S)c(=O)c1	ZINC000008409858	301235531	/nfs/dbraw/zinc/23/55/31/301235531.db2.gz	HUVCKFLBSYWVNY-UHFFFAOYSA-N	-1	1	299.355	2.149	50	0		CEAAMM
COc1ccc(Cc2c(C)nc(SC)[n-]c2=O)cc1	ZINC000016527098	810533577	/nfs/dbraw/zinc/53/35/77/810533577.db2.gz	SPTJVJAJDARFKT-UHFFFAOYSA-N	-1	1	276.361	2.400	50	0		CEAAMM
Cc1ccc(S(=O)(=O)[N-]c2ncccc2F)cc1	ZINC000096496323	230384208	/nfs/dbraw/zinc/38/42/08/230384208.db2.gz	KWAPULMNUIYICI-UHFFFAOYSA-N	-1	1	266.297	2.330	50	0		CEAAMM
CCOCCN(CC)C(=O)c1c([O-])cnc2ccccc21	ZINC000095978630	185052427	/nfs/dbraw/zinc/05/24/27/185052427.db2.gz	HCBLJIBBUUNGIG-UHFFFAOYSA-N	-1	1	288.347	2.439	50	0		CEAAMM
O=C([O-])[C@H]1CCCN(Cc2cccc(F)c2F)C1	ZINC000036889031	361867269	/nfs/dbraw/zinc/86/72/69/361867269.db2.gz	GMXPPGDDHRIKOH-JTQLQIEISA-N	-1	1	255.264	2.261	50	0		CEAAMM
COc1cc(C(=O)[N-]c2cc(C(C)(C)C)no2)on1	ZINC000090609929	180012455	/nfs/dbraw/zinc/01/24/55/180012455.db2.gz	QUAFMAJRFASSDX-UHFFFAOYSA-N	-1	1	265.269	2.221	50	0		CEAAMM
COC(=O)c1cc(CC(=O)c2ccc([O-])cc2O)c(C)o1	ZINC000000055597	361122409	/nfs/dbraw/zinc/12/24/09/361122409.db2.gz	BQEVMKGLERGRSZ-UHFFFAOYSA-N	-1	1	290.271	2.211	50	0		CEAAMM
COc1ccc(-c2n[n-]c(=S)n2C)cc1OC	ZINC000000314350	361160367	/nfs/dbraw/zinc/16/03/67/361160367.db2.gz	JLQMWNZTYYWAPS-UHFFFAOYSA-N	-1	1	251.311	2.162	50	0		CEAAMM
CCOc1cccc(C=C2SC(=O)[N-]C2=O)c1O	ZINC000000975865	361196242	/nfs/dbraw/zinc/19/62/42/361196242.db2.gz	LEPYUNMUAFIPOU-RMKNXTFCSA-N	-1	1	265.290	2.115	50	0		CEAAMM
COc1ccccc1[N-]S(=O)(=O)c1ccc(N)cc1	ZINC000000369224	361166146	/nfs/dbraw/zinc/16/61/46/361166146.db2.gz	XBXWZQQQBVBPAC-UHFFFAOYSA-N	-1	1	278.333	2.078	50	0		CEAAMM
O=C([O-])[C@H]1CCCN(Cc2cc(F)ccc2F)C1	ZINC000003749788	361290625	/nfs/dbraw/zinc/29/06/25/361290625.db2.gz	UFJGEQZNZNSUOS-VIFPVBQESA-N	-1	1	255.264	2.261	50	0		CEAAMM
O=C([O-])[C@@H]1CCCN(Cc2ccc(F)cc2F)C1	ZINC000003749782	361290647	/nfs/dbraw/zinc/29/06/47/361290647.db2.gz	PHPLUDJLMCXLJH-SNVBAGLBSA-N	-1	1	255.264	2.261	50	0		CEAAMM
COC(=O)c1ccc(CSc2nc(C)cc(=O)[n-]2)cc1	ZINC000011847386	361366076	/nfs/dbraw/zinc/36/60/76/361366076.db2.gz	GADOIUXVHFMLME-UHFFFAOYSA-N	-1	1	290.344	2.157	50	0		CEAAMM
O=S(=O)([N-]c1ccc2nsnc2c1)c1ccccc1	ZINC000012340909	361379181	/nfs/dbraw/zinc/37/91/81/361379181.db2.gz	JIFDBSBBZORQMF-UHFFFAOYSA-N	-1	1	291.357	2.492	50	0		CEAAMM
Cc1[n-]n(-c2cc(C)nc(-c3ccccc3O)n2)c(=O)c1C	ZINC000013127328	361420004	/nfs/dbraw/zinc/42/00/04/361420004.db2.gz	OXTSPOIPCTXDDI-UHFFFAOYSA-N	-1	1	296.330	2.253	50	0		CEAAMM
O=C(NCCCn1cccn1)c1cc(Cl)ccc1[O-]	ZINC000030170696	361695920	/nfs/dbraw/zinc/69/59/20/361695920.db2.gz	CJEASFWOZLBQBB-UHFFFAOYSA-N	-1	1	279.727	2.062	50	0		CEAAMM
CCc1c(C)nc(Nc2ccccc2OC)[n-]c1=O	ZINC000095115688	364339829	/nfs/dbraw/zinc/33/98/29/364339829.db2.gz	HRRYJMKTMSMEHL-UHFFFAOYSA-N	-1	1	259.309	2.393	50	0		CEAAMM
CCOc1cc(C(=O)NCc2ncc[nH]2)cc(Cl)c1[O-]	ZINC000097140480	364463076	/nfs/dbraw/zinc/46/30/76/364463076.db2.gz	UARIFQDLMCHKKY-UHFFFAOYSA-N	-1	1	295.726	2.097	50	0		CEAAMM
Cc1c[nH]c([C@@H](C)NC(=O)c2cc(F)ccc2[O-])n1	ZINC000223626982	370268678	/nfs/dbraw/zinc/26/86/78/370268678.db2.gz	QNQCHIKBHNHMJK-MRVPVSSYSA-N	-1	1	263.272	2.054	50	0		CEAAMM
C[C@H](C[C@H]1CCCO1)NC(=O)c1c([O-])cccc1F	ZINC000225394808	370291095	/nfs/dbraw/zinc/29/10/95/370291095.db2.gz	HFCBMTLAYHVLCT-NXEZZACHSA-N	-1	1	267.300	2.219	50	0		CEAAMM
C[C@@H]1CC(CNC(=O)c2cc(F)ccc2[O-])C[C@@H](C)O1	ZINC000281789382	195381593	/nfs/dbraw/zinc/38/15/93/195381593.db2.gz	VMVSOOQVUHBVCZ-NXEZZACHSA-N	-1	1	281.327	2.465	50	0		CEAAMM
C[C@@H]1C[C@@H]1c1[n-]n(C)c(=N)c1-c1ccc2c(c1)OCO2	ZINC000102629161	400255273	/nfs/dbraw/zinc/25/52/73/400255273.db2.gz	YGAGBPXQNKOMIJ-SCZZXKLOSA-N	-1	1	271.320	2.352	50	0		CEAAMM
COc1ccc(CNn2c(C)n[n-]c2=S)cc1	ZINC000005603327	170118588	/nfs/dbraw/zinc/11/85/88/170118588.db2.gz	GWOQXBPXXSZTJJ-UHFFFAOYSA-N	-1	1	250.327	2.001	50	0		CEAAMM
Cc1ccc(NC(=O)[N-]C2=NC(=O)[C@@H](C(C)C)O2)cc1	ZINC000005936666	170158350	/nfs/dbraw/zinc/15/83/50/170158350.db2.gz	YVOITCYVMQLSCO-LLVKDONJSA-N	-1	1	275.308	2.054	50	0		CEAAMM
NC(=O)c1cc(-c2csc(N3CCCC3)n2)ccc1[O-]	ZINC000006551627	170212781	/nfs/dbraw/zinc/21/27/81/170212781.db2.gz	DMJYVAZVDODTJO-UHFFFAOYSA-N	-1	1	289.360	2.215	50	0		CEAAMM
Cc1cc(=O)[n-]c(SCCOc2ccc(C=O)cc2)n1	ZINC000008749858	170354371	/nfs/dbraw/zinc/35/43/71/170354371.db2.gz	PBQOFWCQQCUPBF-UHFFFAOYSA-N	-1	1	290.344	2.474	50	0		CEAAMM
COc1cccc2c(C)nc(Nc3nc(C)cc(=O)[n-]3)nc12	ZINC000009303087	170370613	/nfs/dbraw/zinc/37/06/13/170370613.db2.gz	NHEPNJDMERCOAJ-UHFFFAOYSA-N	-1	1	297.318	2.082	50	0		CEAAMM
Cc1cc(=O)[n-]c(SCC(=O)c2ccccc2)n1	ZINC000009446020	170376673	/nfs/dbraw/zinc/37/66/73/170376673.db2.gz	LDUQCWSKGSQRBH-UHFFFAOYSA-N	-1	1	260.318	2.053	50	0		CEAAMM
Cc1ccc(C(=O)[C@H](C)Sc2nc(N)cc(=O)[n-]2)cc1	ZINC000009638599	170383478	/nfs/dbraw/zinc/38/34/78/170383478.db2.gz	YQHJGXKGNQFFBS-VIFPVBQESA-N	-1	1	289.360	2.024	50	0		CEAAMM
C[C@H](NC(=O)CCCc1ccc(Cl)cc1)c1nn[n-]n1	ZINC000077459068	177271450	/nfs/dbraw/zinc/27/14/50/177271450.db2.gz	ORLMINCMJNTIRG-VIFPVBQESA-N	-1	1	293.758	2.053	50	0		CEAAMM
Cc1c2c([n-]n(-c3ccccc3)c2=O)[nH]c(=O)c1C	ZINC000005687118	280260014	/nfs/dbraw/zinc/26/00/14/280260014.db2.gz	IIOLNYHYCYAISM-UHFFFAOYSA-N	-1	1	255.277	2.036	50	0		CEAAMM
CN(Cc1ccoc1)Cc1ccc(OCC(=O)[O-])cc1	ZINC000534633494	328332505	/nfs/dbraw/zinc/33/25/05/328332505.db2.gz	SEKNLTJOTADUAU-UHFFFAOYSA-N	-1	1	275.304	2.375	50	0		CEAAMM
CN(C)C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-]	ZINC000095960993	185043294	/nfs/dbraw/zinc/04/32/94/185043294.db2.gz	AKLBQGRJJZWERF-UHFFFAOYSA-N	-1	1	280.324	2.441	50	0		CEAAMM
O=C(Nc1ccc([O-])c(Cl)c1)[C@H]1CCn2ccnc2C1	ZINC000096004005	185061668	/nfs/dbraw/zinc/06/16/68/185061668.db2.gz	NVJMVGWHMKPGHB-VIFPVBQESA-N	-1	1	291.738	2.443	50	0		CEAAMM
COC(=O)CCn1c(-c2ccccc2)n[n-]c1=S	ZINC000041041165	362014948	/nfs/dbraw/zinc/01/49/48/362014948.db2.gz	GSKYUEFTVIVIAA-UHFFFAOYSA-N	-1	1	263.322	2.171	50	0		CEAAMM
C[C@@H](O)C[C@H](C)CNC(=O)c1c([O-])cccc1Cl	ZINC000075092930	343837135	/nfs/dbraw/zinc/83/71/35/343837135.db2.gz	BUKCEPFEKHAQAK-DTWKUNHWSA-N	-1	1	271.744	2.182	50	0		CEAAMM
CC(NCc1cccnc1)=C1SC(=S)[N-]C1=O	ZINC000075261097	343843926	/nfs/dbraw/zinc/84/39/26/343843926.db2.gz	PAQMCOPMYWQMRV-VQHVLOKHSA-N	-1	1	265.363	2.391	50	0		CEAAMM
CCCc1sc(C(=O)Nc2nnn[n-]2)cc1CC	ZINC000060850377	362669874	/nfs/dbraw/zinc/66/98/74/362669874.db2.gz	MNUDJJFNNWAYQH-UHFFFAOYSA-N	-1	1	265.342	2.028	50	0		CEAAMM
CCCc1sc(C(=O)Nc2nn[n-]n2)cc1CC	ZINC000060850377	362669880	/nfs/dbraw/zinc/66/98/80/362669880.db2.gz	MNUDJJFNNWAYQH-UHFFFAOYSA-N	-1	1	265.342	2.028	50	0		CEAAMM
Cc1cc(CN(C)[C@H](C(=O)[O-])c2ccc(F)c(C)c2)n[nH]1	ZINC000063846265	362777206	/nfs/dbraw/zinc/77/72/06/362777206.db2.gz	CEJIQXNFFSGWCF-AWEZNQCLSA-N	-1	1	291.326	2.423	50	0		CEAAMM
[O-]c1cc(-n2ccc(-c3cnccn3)n2)cc(F)c1F	ZINC000065397657	362817040	/nfs/dbraw/zinc/81/70/40/362817040.db2.gz	RYHKBEOZPBSQLH-UHFFFAOYSA-N	-1	1	274.230	2.313	50	0		CEAAMM
CC(C)c1nc(CN2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)co1	ZINC000091254235	180114527	/nfs/dbraw/zinc/11/45/27/180114527.db2.gz	SWLXUPUUELGWRA-QWHCGFSZSA-N	-1	1	278.352	2.341	50	0		CEAAMM
COc1cc2nc(-c3ccc(O)cc3)[n-]c(=O)c2cc1OC	ZINC000069349546	362960318	/nfs/dbraw/zinc/96/03/18/362960318.db2.gz	AWVAHSQUCYJLKC-UHFFFAOYSA-N	-1	1	298.298	2.313	50	0		CEAAMM
COC(=O)c1ccc(CC(=O)c2c(C)cc([O-])cc2O)o1	ZINC000000407294	361171948	/nfs/dbraw/zinc/17/19/48/361171948.db2.gz	XIRGDCGIDFMIDP-UHFFFAOYSA-N	-1	1	290.271	2.211	50	0		CEAAMM
O=C1[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)N1c1ccc(Cl)cc1[O-]	ZINC000000508305	361181216	/nfs/dbraw/zinc/18/12/16/361181216.db2.gz	PFERZIBEWWSAGE-OZVVPTBGSA-N	-1	1	289.718	2.357	50	0		CEAAMM
O=S(=O)([N-]c1ccccc1)c1ccc2nsnc2c1	ZINC000000366864	361166191	/nfs/dbraw/zinc/16/61/91/361166191.db2.gz	CYXJMMMOVFKOJC-UHFFFAOYSA-N	-1	1	291.357	2.492	50	0		CEAAMM
Cc1ccc([N-]S(=O)(=O)c2ccccc2N)cc1	ZINC000002785870	361251236	/nfs/dbraw/zinc/25/12/36/361251236.db2.gz	SSOZCFKUJZCOKD-UHFFFAOYSA-N	-1	1	262.334	2.378	50	0		CEAAMM
O=c1ccnc(SCc2cn3cc(Cl)ccc3n2)[n-]1	ZINC000002659348	361245389	/nfs/dbraw/zinc/24/53/89/361245389.db2.gz	OGOCFCQZTGRCNJ-UHFFFAOYSA-N	-1	1	292.751	2.363	50	0		CEAAMM
Cc1ccc(OCCCSc2nc(N)cc(=O)[n-]2)cc1	ZINC000016490364	361489536	/nfs/dbraw/zinc/48/95/36/361489536.db2.gz	KWYCJTLHHGQMJM-UHFFFAOYSA-N	-1	1	291.376	2.222	50	0		CEAAMM
O=C(CCc1ccsc1)Nc1n[n-]c(C(F)(F)F)n1	ZINC000029388973	361684941	/nfs/dbraw/zinc/68/49/41/361684941.db2.gz	LTNNSJMGCROZBL-UHFFFAOYSA-N	-1	1	290.270	2.456	50	0		CEAAMM
C[C@@H](C[C@@H]1CCCO1)NC(=O)c1c([O-])cccc1F	ZINC000225394770	189748989	/nfs/dbraw/zinc/74/89/89/189748989.db2.gz	HFCBMTLAYHVLCT-UWVGGRQHSA-N	-1	1	267.300	2.219	50	0		CEAAMM
CCS(=O)(=O)[N-]c1sc(C)nc1CC(C)C	ZINC000252500253	371447409	/nfs/dbraw/zinc/44/74/09/371447409.db2.gz	SQCZZYVCBPACOJ-UHFFFAOYSA-N	-1	1	262.400	2.412	50	0		CEAAMM
O=C1N[C@@H](c2ccc([O-])c(Cl)c2)N2CCCC[C@@H]12	ZINC000076065156	296388947	/nfs/dbraw/zinc/38/89/47/296388947.db2.gz	CGLOJCFKEKCGHN-CMPLNLGQSA-N	-1	1	266.728	2.029	50	0		CEAAMM
CC(C)(C)c1ccc(NC([O-])=NO[C@@H]2CCCCO2)nn1	ZINC000156214696	395031139	/nfs/dbraw/zinc/03/11/39/395031139.db2.gz	UVLKPBQFOFFVIO-GFCCVEGCSA-N	-1	1	294.355	2.354	50	0		CEAAMM
CC(C)(C)c1ccc(NC(=O)[N-]O[C@@H]2CCCCO2)nn1	ZINC000156214696	395031145	/nfs/dbraw/zinc/03/11/45/395031145.db2.gz	UVLKPBQFOFFVIO-GFCCVEGCSA-N	-1	1	294.355	2.354	50	0		CEAAMM
Cn1cc(Cl)cc1C(=O)Nc1nc(-c2ccco2)n[nH]1	ZINC000192597141	395387753	/nfs/dbraw/zinc/38/77/53/395387753.db2.gz	VZWGEWMBPIYCPH-UHFFFAOYSA-N	-1	1	291.698	2.309	50	0		CEAAMM
CCCn1nc(CNc2ccc(Cl)cc2)[n-]c1=O	ZINC000044900925	175274744	/nfs/dbraw/zinc/27/47/44/175274744.db2.gz	AWXBGPOQUYGXAU-UHFFFAOYSA-N	-1	1	266.732	2.247	50	0		CEAAMM
Cc1cc(C(=O)[N-]c2nnc(-c3ccncc3)s2)no1	ZINC000001055004	280375359	/nfs/dbraw/zinc/37/53/59/280375359.db2.gz	XKKUTODZTRKCQW-UHFFFAOYSA-N	-1	1	287.304	2.149	50	0		CEAAMM
N=c1oc2cc([O-])ccc2cc1C(=O)Nc1ccncc1	ZINC000263619657	330060748	/nfs/dbraw/zinc/06/07/48/330060748.db2.gz	ZUXWUAXSFHWYRZ-UHFFFAOYSA-N	-1	1	281.271	2.265	50	0		CEAAMM
Cc1cc(C)nc(SCC(=O)c2ccc([O-])cc2O)n1	ZINC000000281251	230365894	/nfs/dbraw/zinc/36/58/94/230365894.db2.gz	YLPFVVVSUSWJLF-UHFFFAOYSA-N	-1	1	290.344	2.480	50	0	aggregator	CEAAMM
C[C@H](OC[C@@H]1CCCO1)C(=O)Nc1c([O-])cccc1F	ZINC000095960409	185043548	/nfs/dbraw/zinc/04/35/48/185043548.db2.gz	UYFITOQBORMLQI-UWVGGRQHSA-N	-1	1	283.299	2.054	50	0		CEAAMM
CC(C)[C@@H](O)CC(=O)Nc1ccc([O-])c(Cl)c1	ZINC000096003997	185061441	/nfs/dbraw/zinc/06/14/41/185061441.db2.gz	GMTGYFOYJVDARF-NSHDSACASA-N	-1	1	257.717	2.391	50	0		CEAAMM
O=C(C=Cc1ccc(Cl)c(Cl)c1)Nc1nnn[n-]1	ZINC000033392445	361777653	/nfs/dbraw/zinc/77/76/53/361777653.db2.gz	WUVNYNQZBCBASS-RQOWECAXSA-N	-1	1	284.106	2.158	50	0		CEAAMM
O=C(C=Cc1ccc(Cl)c(Cl)c1)Nc1nn[n-]n1	ZINC000033392445	361777660	/nfs/dbraw/zinc/77/76/60/361777660.db2.gz	WUVNYNQZBCBASS-RQOWECAXSA-N	-1	1	284.106	2.158	50	0		CEAAMM
CC(=CC(=O)Nc1nnn[n-]1)c1cccc(C(F)(F)F)c1	ZINC000096054835	185076172	/nfs/dbraw/zinc/07/61/72/185076172.db2.gz	OXOZNLSIIYJRLE-FNORWQNLSA-N	-1	1	297.240	2.261	50	0		CEAAMM
CC(=CC(=O)Nc1nn[n-]n1)c1cccc(C(F)(F)F)c1	ZINC000096054835	185076173	/nfs/dbraw/zinc/07/61/73/185076173.db2.gz	OXOZNLSIIYJRLE-FNORWQNLSA-N	-1	1	297.240	2.261	50	0		CEAAMM
CC(C)c1ccc(C(=O)N(C)C[C@H](C)c2nn[n-]n2)s1	ZINC000124410033	365651058	/nfs/dbraw/zinc/65/10/58/365651058.db2.gz	RMHIUBHUARWHQE-VIFPVBQESA-N	-1	1	293.396	2.260	50	0		CEAAMM
O=C(NC1CC1)c1c[n-]c2c(Cl)cccc2c1=O	ZINC000040287786	361992007	/nfs/dbraw/zinc/99/20/07/361992007.db2.gz	RLSRNUKCJCKSGZ-UHFFFAOYSA-N	-1	1	262.696	2.074	50	0		CEAAMM
O=C(N[C@H]1CCCSC1)c1c([O-])cccc1F	ZINC000128177137	187355216	/nfs/dbraw/zinc/35/52/16/187355216.db2.gz	MEELQBDUGSFRPX-QMMMGPOBSA-N	-1	1	255.314	2.157	50	0		CEAAMM
C[C@H](c1ccccc1)[C@@](C)(O)C(=O)Nc1ccncc1[O-]	ZINC000170072796	344484223	/nfs/dbraw/zinc/48/42/23/344484223.db2.gz	OSTAMHBYAPQIAT-BDJLRTHQSA-N	-1	1	286.331	2.280	50	0		CEAAMM
CCCC[C@H]1C=CCN1C(=O)c1cnc(C(C)C)[n-]c1=O	ZINC000071753567	363112634	/nfs/dbraw/zinc/11/26/34/363112634.db2.gz	QDJMPNRFYYDMOI-LBPRGKRZSA-N	-1	1	289.379	2.464	50	0		CEAAMM
O=c1[n-]c(Nc2ccccc2O)nc2c1CCCC2	ZINC000011903459	361368322	/nfs/dbraw/zinc/36/83/22/361368322.db2.gz	FTDMOQQCAAGTKD-UHFFFAOYSA-N	-1	1	257.293	2.098	50	0		CEAAMM
CSc1ccc(C=NNc2nc(C)cc(=O)[n-]2)cc1	ZINC000013140094	361421258	/nfs/dbraw/zinc/42/12/58/361421258.db2.gz	KPVDFRTUUXFPIL-UHFFFAOYSA-N	-1	1	274.349	2.246	50	0		CEAAMM
O=C(NC[C@H]1CCCO1)c1cc2ccccc2cc1[O-]	ZINC000013007213	361415880	/nfs/dbraw/zinc/41/58/80/361415880.db2.gz	DBYOJRHWEJEBCL-CYBMUJFWSA-N	-1	1	271.316	2.454	50	0		CEAAMM
C[C@@H]1CN(C(=O)c2cc(Cl)ccc2[O-])C[C@H](C)O1	ZINC000019837436	361559652	/nfs/dbraw/zinc/55/96/52/361559652.db2.gz	BWSOAYOMJSRRNR-DTORHVGOSA-N	-1	1	269.728	2.295	50	0		CEAAMM
O=C(Nc1nnn[n-]1)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl	ZINC000089768391	363999993	/nfs/dbraw/zinc/99/99/93/363999993.db2.gz	GWKZPBBIGROEFZ-HTQZYQBOSA-N	-1	1	298.133	2.249	50	0		CEAAMM
O=C(Nc1nn[n-]n1)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl	ZINC000089768391	363999996	/nfs/dbraw/zinc/99/99/96/363999996.db2.gz	GWKZPBBIGROEFZ-HTQZYQBOSA-N	-1	1	298.133	2.249	50	0		CEAAMM
CCc1ncc([N-]S(=O)(=O)Cc2ccccc2F)cn1	ZINC000097140441	364461311	/nfs/dbraw/zinc/46/13/11/364461311.db2.gz	KVSDNQVEISZNLW-UHFFFAOYSA-N	-1	1	295.339	2.120	50	0		CEAAMM
COc1ccc(C[N@@H+]2Cc3nc(C)[nH]c(=O)c3C2)c(C)c1C	ZINC000097823011	364521160	/nfs/dbraw/zinc/52/11/60/364521160.db2.gz	XNHYQNHTURKBEH-UHFFFAOYSA-N	-1	1	299.374	2.220	50	0		CEAAMM
C[C@H]1CN(CCCC(=O)[O-])C[C@H](c2ccccc2)O1	ZINC000116371689	365052624	/nfs/dbraw/zinc/05/26/24/365052624.db2.gz	JXYXKBYZMBLAJS-GXTWGEPZSA-N	-1	1	263.337	2.313	50	0		CEAAMM
CC[C@H](C)CN(C)C(=O)c1ccc2n[n-]c(=S)n2c1	ZINC000328590147	376854066	/nfs/dbraw/zinc/85/40/66/376854066.db2.gz	UAJLKPGVFJSTLG-VIFPVBQESA-N	-1	1	278.381	2.136	50	0		CEAAMM
CCOC(=O)c1[n-]cnc1C(=O)Nc1ccc(Cl)cc1	ZINC000008569156	170341105	/nfs/dbraw/zinc/34/11/05/170341105.db2.gz	MHRUFTWIHQJUFN-UHFFFAOYSA-N	-1	1	293.710	2.492	50	0		CEAAMM
CC[C@@]1(C)Cc2ccccc2-c2nc(NCCO)[n-]c(=O)c21	ZINC000008686221	170345389	/nfs/dbraw/zinc/34/53/89/170345389.db2.gz	PTMQJVFXFXBFAS-KRWDZBQOSA-N	-1	1	299.374	2.065	50	0		CEAAMM
COc1ccc2nc(Nc3nc(C)cc(=O)[n-]3)nc(C)c2c1	ZINC000009553685	170381066	/nfs/dbraw/zinc/38/10/66/170381066.db2.gz	RYOOOLMGSVANCR-UHFFFAOYSA-N	-1	1	297.318	2.082	50	0		CEAAMM
CC(C)(O)[C@H]1CCN(C(=O)c2ccc(Cl)cc2[O-])C1	ZINC000215534892	275866290	/nfs/dbraw/zinc/86/62/90/275866290.db2.gz	LUJBXDFWDBJHFN-VIFPVBQESA-N	-1	1	283.755	2.279	50	0		CEAAMM
O=C([O-])c1cccc(CN2CC[C@H](Oc3ccccc3)C2)n1	ZINC000534661197	328349321	/nfs/dbraw/zinc/34/93/21/328349321.db2.gz	YDLLNIULXDQEMJ-HNNXBMFYSA-N	-1	1	298.342	2.433	50	0		CEAAMM
Cc1nc(SCCOCC(F)(F)F)[n-]c(=O)c1C	ZINC000096494661	534532134	/nfs/dbraw/zinc/53/21/34/534532134.db2.gz	XFXWLKVQKRRPLO-UHFFFAOYSA-N	-1	1	282.287	2.058	50	0		CEAAMM
C/C=C(/C)C(=O)N1CCC(c2n[n-]c(=S)n2C)CC1	ZINC000081750701	806830353	/nfs/dbraw/zinc/83/03/53/806830353.db2.gz	QOSBYWITYFWJQW-WTKPLQERSA-N	-1	1	280.397	2.150	50	0		CEAAMM
Cc1nc(SCc2nccn2C(C)C)[n-]c(=O)c1C	ZINC000095990982	185058288	/nfs/dbraw/zinc/05/82/88/185058288.db2.gz	XDNGWEYRHLGVAD-UHFFFAOYSA-N	-1	1	278.381	2.456	50	0		CEAAMM
CC[C@@H](NC(=O)c1cncc([O-])c1)c1cccc(C)n1	ZINC000584891201	344999546	/nfs/dbraw/zinc/99/95/46/344999546.db2.gz	ZHPQNBWFPBCXPA-CYBMUJFWSA-N	-1	1	271.320	2.372	50	0		CEAAMM
COc1ccc(-c2cc3c4n[n-]c(=S)n4ccn3n2)cc1	ZINC000057352204	362578584	/nfs/dbraw/zinc/57/85/84/362578584.db2.gz	CKUFMIYXPHYCCQ-UHFFFAOYSA-N	-1	1	297.343	2.341	50	0		CEAAMM
CC(C)(C)N(Cc1n[nH]c(=O)[n-]1)Cc1ccc(F)cc1	ZINC000091592505	180201751	/nfs/dbraw/zinc/20/17/51/180201751.db2.gz	QBWHPMKJTIAHDB-UHFFFAOYSA-N	-1	1	278.331	2.038	50	0		CEAAMM
COCCC[C@@]1(C(=O)[O-])CCCN(Cc2cscn2)C1	ZINC000091997936	180303118	/nfs/dbraw/zinc/30/31/18/180303118.db2.gz	DXGYGGGMKKRBSK-AWEZNQCLSA-N	-1	1	298.408	2.237	50	0		CEAAMM
O=C([O-])COc1ccccc1CNCc1ccccc1	ZINC000062716815	304071511	/nfs/dbraw/zinc/07/15/11/304071511.db2.gz	NIZAPZJWKJQNFD-UHFFFAOYSA-N	-1	1	271.316	2.440	50	0		CEAAMM
O=S(=O)([N-]c1ccccc1)c1ccc2c(c1)OCCO2	ZINC000000126082	361132518	/nfs/dbraw/zinc/13/25/18/361132518.db2.gz	MCQZSQADENCVCI-UHFFFAOYSA-N	-1	1	291.328	2.259	50	0		CEAAMM
CCCc1cc(=O)[n-]c(Nc2ccc(C(=O)OC)cc2)n1	ZINC000001281425	361199524	/nfs/dbraw/zinc/19/95/24/361199524.db2.gz	ZMAZRCROPSTLFS-UHFFFAOYSA-N	-1	1	287.319	2.253	50	0		CEAAMM
Cc1nnsc1C(=O)[N-]c1nnc(C(C)C)s1	ZINC000011913958	361368965	/nfs/dbraw/zinc/36/89/65/361368965.db2.gz	HIJBVTUPWGKNMF-UHFFFAOYSA-N	-1	1	269.355	2.074	50	0		CEAAMM
Cc1ccc2c(C[P@](=O)([O-])O)cc(=O)oc2c1C	ZINC000032124401	361730272	/nfs/dbraw/zinc/73/02/72/361730272.db2.gz	WQRNXZXLAVAMBB-UHFFFAOYSA-N	-1	1	268.205	2.088	50	0		CEAAMM
CCC[C@H](NC(=O)c1ccc(C)cc1C)c1nn[n-]n1	ZINC000089949667	364022503	/nfs/dbraw/zinc/02/25/03/364022503.db2.gz	VCFYOQGYNMUYDP-LBPRGKRZSA-N	-1	1	273.340	2.088	50	0		CEAAMM
CCCCCC(=O)Nn1c(=O)c2ccccc2[n-]c1=S	ZINC000102228967	364587986	/nfs/dbraw/zinc/58/79/86/364587986.db2.gz	JGISPYRIMYWRKD-UHFFFAOYSA-N	-1	1	291.376	2.336	50	0		CEAAMM
CCc1cc(=O)[n-]c(SCc2nccs2)n1	ZINC000195075818	370102098	/nfs/dbraw/zinc/10/20/98/370102098.db2.gz	MLKAMCNOQRMTOT-UHFFFAOYSA-N	-1	1	253.352	2.081	50	0		CEAAMM
CCCn1ccnc1CNC(=O)c1ccc(F)c([O-])c1	ZINC000223615610	370268453	/nfs/dbraw/zinc/26/84/53/370268453.db2.gz	MLJVDFWTFQCAKO-UHFFFAOYSA-N	-1	1	277.299	2.068	50	0		CEAAMM
C[C@@H]1CN(CCCC(=O)[O-])C[C@@H](c2ccccc2)O1	ZINC000246965691	371039760	/nfs/dbraw/zinc/03/97/60/371039760.db2.gz	JXYXKBYZMBLAJS-OCCSQVGLSA-N	-1	1	263.337	2.313	50	0		CEAAMM
Cn1c(CC(=O)c2ccc([O-])cc2O)nc2ccccc21	ZINC000000042631	169515285	/nfs/dbraw/zinc/51/52/85/169515285.db2.gz	TYWYQQIZHCOYAT-UHFFFAOYSA-N	-1	1	282.299	2.410	50	0		CEAAMM
O=c1ccnc(S[C@H]2CCc3ccccc3C2=O)[n-]1	ZINC000009143460	285024249	/nfs/dbraw/zinc/02/42/49/285024249.db2.gz	QKPPZCYRULBTQK-NSHDSACASA-N	-1	1	272.329	2.472	50	0		CEAAMM
O=C([O-])CCc1cc2n(n1)CCN(C[C@H]1CC=CCC1)C2	ZINC000091351078	394657291	/nfs/dbraw/zinc/65/72/91/394657291.db2.gz	AGYKCTXNZUAUAF-ZDUSSCGKSA-N	-1	1	289.379	2.072	50	0		CEAAMM
Cc1cc(=O)n(-c2ccc(Br)cc2)[n-]1	ZINC000095952940	394674686	/nfs/dbraw/zinc/67/46/86/394674686.db2.gz	CSXWSZGTRKPPGW-UHFFFAOYSA-N	-1	1	253.099	2.237	50	0		CEAAMM
O=C(NCCn1c(=S)[n-]nc1C1CC1)c1ccsc1	ZINC000096418482	394685401	/nfs/dbraw/zinc/68/54/01/394685401.db2.gz	JSTNEMOHCYTZFP-UHFFFAOYSA-N	-1	1	294.405	2.310	50	0		CEAAMM
O=C([O-])Cn1c(CN2CCCCCC2)nc2ccccc21	ZINC000004942720	170043256	/nfs/dbraw/zinc/04/32/56/170043256.db2.gz	DEMCQRWVDGJGAS-UHFFFAOYSA-N	-1	1	287.363	2.497	50	0		CEAAMM
CCCOc1ccccc1-c1n[nH]c(SCC(=O)[O-])n1	ZINC000005965525	170163634	/nfs/dbraw/zinc/16/36/34/170163634.db2.gz	YNFLBEPODGBOGL-UHFFFAOYSA-N	-1	1	293.348	2.437	50	0		CEAAMM
O=C([O-])[C@@H]1CCCN1Cc1ccc2ccccc2n1	ZINC000006616475	170219509	/nfs/dbraw/zinc/21/95/09/170219509.db2.gz	JUCSUZZVGVDTBE-AWEZNQCLSA-N	-1	1	256.305	2.284	50	0		CEAAMM
O=S(=O)([N-]CCc1ccccc1)c1cc(F)ccc1F	ZINC000006728853	170234096	/nfs/dbraw/zinc/23/40/96/170234096.db2.gz	PINQGPDQMSVURE-UHFFFAOYSA-N	-1	1	297.326	2.486	50	0		CEAAMM
COc1ccc(OC)c(C=C2SC(=O)[N-]C2=O)c1	ZINC000012868020	170515489	/nfs/dbraw/zinc/51/54/89/170515489.db2.gz	BTVXGOPTTYYHOK-POHAHGRESA-N	-1	1	265.290	2.028	50	0		CEAAMM
Cc1cc(C)c2c(C[P@](=O)([O-])O)cc(=O)oc2c1	ZINC000020760687	171272115	/nfs/dbraw/zinc/27/21/15/171272115.db2.gz	APYPWKQCSUQQTA-UHFFFAOYSA-N	-1	1	268.205	2.088	50	0		CEAAMM
Cc1nc([N-]C(=O)c2cc(-c3ccccc3F)on2)n[nH]1	ZINC000071799397	176265521	/nfs/dbraw/zinc/26/55/21/176265521.db2.gz	YUHVRXBZTWHKMM-UHFFFAOYSA-N	-1	1	287.254	2.160	50	0		CEAAMM
CC[C@@H](C)[N-]S(=O)(=O)c1ccc(F)c(F)c1F	ZINC000006508987	261371378	/nfs/dbraw/zinc/37/13/78/261371378.db2.gz	PNIOJSNFPHWQRT-ZCFIWIBFSA-N	-1	1	267.272	2.181	50	0		CEAAMM
CC(C)(O)[C@@H]1CCN(C(=O)c2ccc(Cl)cc2[O-])C1	ZINC000215534842	277318858	/nfs/dbraw/zinc/31/88/58/277318858.db2.gz	LUJBXDFWDBJHFN-SECBINFHSA-N	-1	1	283.755	2.279	50	0		CEAAMM
CCc1cc2c([n-]c(-c3ncccn3)nc2=O)s1	ZINC000048622684	281387565	/nfs/dbraw/zinc/38/75/65/281387565.db2.gz	MXLUCKRSOAJRBR-UHFFFAOYSA-N	-1	1	258.306	2.004	50	0		CEAAMM
Nc1cc(=O)[n-]c(=S)n1-c1cccc(C(F)(F)F)c1	ZINC000001059671	295347488	/nfs/dbraw/zinc/34/74/88/295347488.db2.gz	BZUJIZYKQCEIES-UHFFFAOYSA-N	-1	1	287.266	2.496	50	0		CEAAMM
Cc1cc(=O)n(-c2cc(C)nc(-c3ccccc3O)n2)[n-]1	ZINC000000752112	628782631	/nfs/dbraw/zinc/78/26/31/628782631.db2.gz	YMQOWWWXZMMZQI-UHFFFAOYSA-N	-1	1	282.303	2.270	50	0		CEAAMM
CC1(C)CC(=O)C(C(=O)Cc2ccccc2)=C([O-])C1	ZINC000106573552	628835118	/nfs/dbraw/zinc/83/51/18/628835118.db2.gz	LCISVIVDOGXIAC-UHFFFAOYSA-N	-1	1	258.317	2.373	50	0		CEAAMM
O=C([O-])CSc1nc(-c2ccc3c(c2)CCC3)n[nH]1	ZINC000036948386	361872948	/nfs/dbraw/zinc/87/29/48/361872948.db2.gz	RWJQKEKKXJCWKO-UHFFFAOYSA-N	-1	1	275.333	2.137	50	0		CEAAMM
Cc1cc(=O)[n-]c(N=NC2CCN(c3ccccc3)CC2)n1	ZINC000084114501	539282605	/nfs/dbraw/zinc/28/26/05/539282605.db2.gz	VJGNAKWGNSAZOX-UHFFFAOYSA-N	-1	1	297.362	2.147	50	0		CEAAMM
CCSC(=S)N[C@@H](C(=O)[O-])c1ccccc1	ZINC000005908865	343355224	/nfs/dbraw/zinc/35/52/24/343355224.db2.gz	WKVRVEHQWVUECN-SECBINFHSA-N	-1	1	255.364	2.440	50	0		CEAAMM
Cc1cc(=O)[n-]c(NN=Cc2ccc3c(c2)CCC3)n1	ZINC000025666187	343387165	/nfs/dbraw/zinc/38/71/65/343387165.db2.gz	DPGNPJPPYORKDI-UHFFFAOYSA-N	-1	1	268.320	2.013	50	0		CEAAMM
C[C@H](O)C[C@H](C)CNC(=O)c1c([O-])cccc1Cl	ZINC000075092932	343837162	/nfs/dbraw/zinc/83/71/62/343837162.db2.gz	BUKCEPFEKHAQAK-IUCAKERBSA-N	-1	1	271.744	2.182	50	0		CEAAMM
O=C(Nc1cnn(Cc2ccccn2)c1)c1ccccc1[O-]	ZINC000058368869	362625143	/nfs/dbraw/zinc/62/51/43/362625143.db2.gz	HGBMUIAICQMQNS-UHFFFAOYSA-N	-1	1	294.314	2.284	50	0		CEAAMM
CCc1ccc(C=CC(=O)Nc2[n-]c(=O)ncc2F)o1	ZINC000606443948	347474027	/nfs/dbraw/zinc/47/40/27/347474027.db2.gz	APDKWLIJGXBEPZ-WAYWQWQTSA-N	-1	1	277.255	2.129	50	0		CEAAMM
Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)Nc1nnn[n-]1	ZINC000078986500	363561395	/nfs/dbraw/zinc/56/13/95/363561395.db2.gz	FUHDVSMBXMLPGX-JTQLQIEISA-N	-1	1	288.355	2.217	50	0		CEAAMM
Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)Nc1nn[n-]n1	ZINC000078986500	363561399	/nfs/dbraw/zinc/56/13/99/363561399.db2.gz	FUHDVSMBXMLPGX-JTQLQIEISA-N	-1	1	288.355	2.217	50	0		CEAAMM
O=C(Cc1ccccc1)Nc1cn(-c2ccccc2)[n-]c1=O	ZINC000000393952	361169592	/nfs/dbraw/zinc/16/95/92/361169592.db2.gz	IVAVXWBYIKXSTO-UHFFFAOYSA-N	-1	1	293.326	2.347	50	0		CEAAMM
CCOc1cc(C=C2SC(=O)[N-]C2=O)ccc1O	ZINC000001231863	361199483	/nfs/dbraw/zinc/19/94/83/361199483.db2.gz	HTFKYUIYCWNLNL-POHAHGRESA-N	-1	1	265.290	2.115	50	0		CEAAMM
Cc1cc(C(=O)[N-]c2nnc(Cc3cccs3)o2)no1	ZINC000011027447	361355363	/nfs/dbraw/zinc/35/53/63/361355363.db2.gz	LYFRZDWWGUMEOZ-UHFFFAOYSA-N	-1	1	290.304	2.271	50	0		CEAAMM
O=C([O-])c1ccc(-n2cccc2C=C2NC(=O)NC2=O)cc1	ZINC000013749892	361440996	/nfs/dbraw/zinc/44/09/96/361440996.db2.gz	WMOKBKUDIRNAKD-XYOKQWHBSA-N	-1	1	297.270	2.196	50	0		CEAAMM
O=C(NCC(F)(F)F)c1cc(Br)ccc1[O-]	ZINC000013019224	361416710	/nfs/dbraw/zinc/41/67/10/361416710.db2.gz	ZMDAAWMVKRTVHQ-UHFFFAOYSA-N	-1	1	298.058	2.447	50	0		CEAAMM
C[C@H](Sc1nccc(=O)[n-]1)C(=O)Nc1ccc(F)cc1	ZINC000017946329	361512405	/nfs/dbraw/zinc/51/24/05/361512405.db2.gz	UDYFCXLVUQOZDA-QMMMGPOBSA-N	-1	1	293.323	2.028	50	0		CEAAMM
Cc1cc(=O)[n-]c(SCC(=O)c2cccs2)n1	ZINC000018084678	361513881	/nfs/dbraw/zinc/51/38/81/361513881.db2.gz	BUJNNVDRDXQSPZ-UHFFFAOYSA-N	-1	1	266.347	2.115	50	0		CEAAMM
CCC[C@H](NC(=O)[C@H](C)c1cccs1)c1nn[n-]n1	ZINC000089949543	364022810	/nfs/dbraw/zinc/02/28/10/364022810.db2.gz	PBGCRSQOEJXAAQ-BDAKNGLRSA-N	-1	1	279.369	2.022	50	0		CEAAMM
Cn1ccnc1CN1CCC[C@H](c2cccc(C(=O)[O-])c2)C1	ZINC000095381280	364352665	/nfs/dbraw/zinc/35/26/65/364352665.db2.gz	KKFXZBBVNIWMKZ-HNNXBMFYSA-N	-1	1	299.374	2.498	50	0		CEAAMM
O=C([O-])[C@H](c1n[nH]c(C2CCOCC2)n1)C1CCCCC1	ZINC000097568982	364510426	/nfs/dbraw/zinc/51/04/26/364510426.db2.gz	GTZWYJYHXUTLPI-LBPRGKRZSA-N	-1	1	293.367	2.447	50	0		CEAAMM
C[C@@H]1C[C@@H](C(=O)NC(C)(C)c2nn[n-]n2)CC(C)(C)C1	ZINC000357356156	370812606	/nfs/dbraw/zinc/81/26/06/370812606.db2.gz	OEKORNIHSGDDBC-NXEZZACHSA-N	-1	1	279.388	2.013	50	0		CEAAMM
CC[C@H](NC(=O)c1ccc(Cl)cc1[O-])[C@H]1C[C@@H](O)C1	ZINC000219920094	370228445	/nfs/dbraw/zinc/22/84/45/370228445.db2.gz	ANLINYDKCGHBQO-PEXQALLHSA-N	-1	1	283.755	2.325	50	0		CEAAMM
C[C@H]1CN(CCCC(=O)[O-])C[C@@H](c2ccc(F)cc2)O1	ZINC000246990765	371042089	/nfs/dbraw/zinc/04/20/89/371042089.db2.gz	SRMYTZUXUIUHSF-FZMZJTMJSA-N	-1	1	281.327	2.452	50	0		CEAAMM
O=C1C[C@@H](c2c(O)cccc2O)Oc2cc([O-])cc(O)c21	ZINC000006091723	284836084	/nfs/dbraw/zinc/83/60/84/284836084.db2.gz	TWELZOKMSAJRKP-ZDUSSCGKSA-N	-1	1	288.255	2.216	50	0	biogenic,in-vitro	CEAAMM
CCN(Cc1cnn(C)c1)Cc1cccc(C(=O)[O-])c1	ZINC000263469708	154099616	/nfs/dbraw/zinc/09/96/16/154099616.db2.gz	KYKWKFAHSYNXAO-UHFFFAOYSA-N	-1	1	273.336	2.140	50	0		CEAAMM
COc1ccc(C=C(Sc2nnc(C)[nH]2)C(=O)[O-])cc1	ZINC000005955392	170162012	/nfs/dbraw/zinc/16/20/12/170162012.db2.gz	HFDDPJHKIISNQP-YRNVUSSQSA-N	-1	1	291.332	2.340	50	0		CEAAMM
COc1ccc(C=C(Sc2n[nH]c(C)n2)C(=O)[O-])cc1	ZINC000005955392	170162013	/nfs/dbraw/zinc/16/20/13/170162013.db2.gz	HFDDPJHKIISNQP-YRNVUSSQSA-N	-1	1	291.332	2.340	50	0		CEAAMM
CCCCOc1ccc(/C=C2/NC(=S)[N-]C2=O)cc1	ZINC000006323253	170191559	/nfs/dbraw/zinc/19/15/59/170191559.db2.gz	FWZCLWSUVPPZHG-FMIVXFBMSA-N	-1	1	276.361	2.211	50	0		CEAAMM
C[C@H](NC(=O)c1cccs1)c1n[n-]c(=S)n1C	ZINC000006556172	170212760	/nfs/dbraw/zinc/21/27/60/170212760.db2.gz	BWUNJZSZVJYEMM-LURJTMIESA-N	-1	1	268.367	2.030	50	0		CEAAMM
Cn1c(CCNC(=O)c2ccc(Cl)cc2)n[n-]c1=S	ZINC000006557163	170213317	/nfs/dbraw/zinc/21/33/17/170213317.db2.gz	WUYQIVRJYDPPGA-UHFFFAOYSA-N	-1	1	296.783	2.104	50	0		CEAAMM
O=C([O-])c1ccccc1[C@@H]1CCN(Cc2ncc[nH]2)C1	ZINC000072147791	176325816	/nfs/dbraw/zinc/32/58/16/176325816.db2.gz	RVXWBNDHDKLGJW-LLVKDONJSA-N	-1	1	271.320	2.097	50	0		CEAAMM
CC(=O)c1cc2c3c(c(=O)oc2c(C)c1[O-])CCC3	ZINC000013735687	275502191	/nfs/dbraw/zinc/50/21/91/275502191.db2.gz	BQUYQFDMAFNIJK-UHFFFAOYSA-N	-1	1	258.273	2.498	50	0		CEAAMM
COC(=O)c1ccc2c(c1)nc(-c1ccc(C)o1)[n-]c2=O	ZINC000015517402	277439465	/nfs/dbraw/zinc/43/94/65/277439465.db2.gz	MWLBSKPQJQTARN-UHFFFAOYSA-N	-1	1	284.271	2.278	50	0		CEAAMM
COc1cc(F)c(C[N@H+](CC(=O)[O-])CC(C)C)cc1OC	ZINC000534582859	328312680	/nfs/dbraw/zinc/31/26/80/328312680.db2.gz	ZRENQGYWUSWGSQ-UHFFFAOYSA-N	-1	1	299.342	2.386	50	0		CEAAMM
COc1ccc(CC[C@@H](C)NCc2n[n-]c(=N)s2)cc1	ZINC000534656691	328340259	/nfs/dbraw/zinc/34/02/59/328340259.db2.gz	LHMRRPLBIBSOIC-SNVBAGLBSA-N	-1	1	292.408	2.070	50	0		CEAAMM
CC(C)C(=O)Nc1nc(Cc2n[n-]c(=S)n2C)cs1	ZINC000032796101	361757283	/nfs/dbraw/zinc/75/72/83/361757283.db2.gz	FGJDWPWJQLEPEW-UHFFFAOYSA-N	-1	1	297.409	2.119	50	0		CEAAMM
CO[C@@H]1CCCC[C@@H]1NC(=O)c1c([O-])cccc1F	ZINC000126539759	187246784	/nfs/dbraw/zinc/24/67/84/187246784.db2.gz	FQKNMTRPGOLCRP-CMPLNLGQSA-N	-1	1	267.300	2.219	50	0		CEAAMM
Nc1ccc(C([O-])(C(F)(F)F)C(F)(F)F)cc1N	ZINC000142466108	539297971	/nfs/dbraw/zinc/29/79/71/539297971.db2.gz	JKXRLZQJPKXQAK-UHFFFAOYSA-N	-1	1	274.164	2.163	50	0		CEAAMM
CC(NCc1ccc(C)cc1)=C1SC(=S)[N-]C1=O	ZINC000006187884	343356048	/nfs/dbraw/zinc/35/60/48/343356048.db2.gz	YPKJUNRXCHIRTN-LUAWRHEFSA-N	-1	1	278.402	2.464	50	0		CEAAMM
COC(=O)c1ccc2nc(C(F)(F)F)[n-]c(=O)c2c1	ZINC000019898512	343375414	/nfs/dbraw/zinc/37/54/14/343375414.db2.gz	YPIXCUCEJYEPMB-UHFFFAOYSA-N	-1	1	272.182	2.141	50	0		CEAAMM
O=C(C[C@@H]1SC(=O)[N-]C1=O)c1ccc(Cl)cc1	ZINC000075272206	343844598	/nfs/dbraw/zinc/84/45/98/343844598.db2.gz	HCTULXUOHIRDEH-VIFPVBQESA-N	-1	1	269.709	2.264	50	0		CEAAMM
O=C(c1cncc([O-])c1)N1CCc2cccc(F)c2C1	ZINC000092569070	344195231	/nfs/dbraw/zinc/19/52/31/344195231.db2.gz	DQJUXLLVZSBCQR-UHFFFAOYSA-N	-1	1	272.279	2.125	50	0		CEAAMM
CNC(=O)c1ccc(NC(=O)c2ccccc2[O-])cc1	ZINC000057541999	362583620	/nfs/dbraw/zinc/58/36/20/362583620.db2.gz	HXEOFHFMRRIFOV-UHFFFAOYSA-N	-1	1	270.288	2.004	50	0		CEAAMM
O=C([O-])[C@@H]1CCN(Cc2cc(-c3cccs3)on2)C1	ZINC000062134507	362712056	/nfs/dbraw/zinc/71/20/56/362712056.db2.gz	ALOIRYCPTKYVSB-SECBINFHSA-N	-1	1	278.333	2.310	50	0		CEAAMM
C[C@@H](C(=O)N=c1ccnc2n(C)[n-]cc1-2)c1ccccc1	ZINC000606443048	347474105	/nfs/dbraw/zinc/47/41/05/347474105.db2.gz	NHZOPIITWYOTDD-LLVKDONJSA-N	-1	1	280.331	2.084	50	0		CEAAMM
CC[C@]1(C(=O)[O-])CCCN(Cc2[nH]nc(C)c2Cl)C1	ZINC000091746709	180244968	/nfs/dbraw/zinc/24/49/68/180244968.db2.gz	RXSHOHNBGSNNMG-ZDUSSCGKSA-N	-1	1	285.775	2.448	50	0		CEAAMM
COc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1C	ZINC000000141389	361134840	/nfs/dbraw/zinc/13/48/40/361134840.db2.gz	XNYGCGAKXNHBKE-UHFFFAOYSA-N	-1	1	278.333	2.199	50	0		CEAAMM
Cc1ccc([N-]S(=O)(=O)Cc2ccccc2)nc1	ZINC000000226560	361149320	/nfs/dbraw/zinc/14/93/20/361149320.db2.gz	KTXBZTSCUOGOFG-UHFFFAOYSA-N	-1	1	262.334	2.332	50	0		CEAAMM
Cc1cccc([N-]S(=O)(=O)Cc2ccccc2)n1	ZINC000000304132	361159179	/nfs/dbraw/zinc/15/91/79/361159179.db2.gz	AZZXASAEYAGPMJ-UHFFFAOYSA-N	-1	1	262.334	2.332	50	0		CEAAMM
O=C([O-])c1ccccc1C(=O)c1ccc(O)cc1O	ZINC000000439984	361174893	/nfs/dbraw/zinc/17/48/93/361174893.db2.gz	KIEFFPFIBREPIX-UHFFFAOYSA-N	-1	1	258.229	2.027	50	0	in-vitro	CEAAMM
CCOc1cc2c(cc1C=C1SC(=O)[N-]C1=O)OCO2	ZINC000001011567	361195532	/nfs/dbraw/zinc/19/55/32/361195532.db2.gz	BLIYNBNXBQBXPC-NYYWCZLTSA-N	-1	1	293.300	2.138	50	0		CEAAMM
O=C(Cc1ccc2c(c1)OCO2)c1ccc([O-])cc1O	ZINC000001610068	361211243	/nfs/dbraw/zinc/21/12/43/361211243.db2.gz	IXSUIJGVZKQWRN-UHFFFAOYSA-N	-1	1	272.256	2.252	50	0		CEAAMM
O=C([O-])c1cc(S(=O)(=O)Nc2ccccc2)cs1	ZINC000004618752	361324115	/nfs/dbraw/zinc/32/41/15/361324115.db2.gz	YHDXLCCQMXTNLQ-UHFFFAOYSA-N	-1	1	283.330	2.247	50	0		CEAAMM
O=c1[n-]c(=S)c2c(n1Cc1ccncc1)CCCC2	ZINC000008737629	361343693	/nfs/dbraw/zinc/34/36/93/361343693.db2.gz	OKSPVORWYCLZAX-UHFFFAOYSA-N	-1	1	273.361	2.228	50	0		CEAAMM
C[C@@H]1CN(C(=O)c2cc3ccccc3cc2[O-])CCO1	ZINC000011454924	361358102	/nfs/dbraw/zinc/35/81/02/361358102.db2.gz	VJUFXRKNNXLQRB-LLVKDONJSA-N	-1	1	271.316	2.406	50	0		CEAAMM
O=C(CSc1nccc(=O)[n-]1)c1c[nH]c2ccccc12	ZINC000012563952	361392559	/nfs/dbraw/zinc/39/25/59/361392559.db2.gz	OAMSMVOKOQLYCF-UHFFFAOYSA-N	-1	1	285.328	2.226	50	0		CEAAMM
Nc1cc(=O)[n-]c(SCCSc2ccccc2)n1	ZINC000016527234	361490717	/nfs/dbraw/zinc/49/07/17/361490717.db2.gz	CKTCJBABPCLGFX-UHFFFAOYSA-N	-1	1	279.390	2.237	50	0		CEAAMM
C[C@H]1CN(Cc2cc(=O)oc3cc([O-])ccc23)C[C@H](C)O1	ZINC000025266583	361622397	/nfs/dbraw/zinc/62/23/97/361622397.db2.gz	WEQLMQPMEKVDJT-QWRGUYRKSA-N	-1	1	289.331	2.108	50	0		CEAAMM
Nc1nccc(-c2cc(Br)ccc2[O-])n1	ZINC000015022175	283695828	/nfs/dbraw/zinc/69/58/28/283695828.db2.gz	ZIXNNXPMCCNPCF-UHFFFAOYSA-N	-1	1	266.098	2.194	50	0		CEAAMM
CC(C)(O)[C@@H]1CCCN1C(=O)c1ccc(Cl)cc1[O-]	ZINC000092929774	364119484	/nfs/dbraw/zinc/11/94/84/364119484.db2.gz	VKVGATMXOLZCQZ-LBPRGKRZSA-N	-1	1	283.755	2.421	50	0		CEAAMM
O=C(Nc1nnn[n-]1)c1ccccc1Nc1ccccc1	ZINC000118686066	365171082	/nfs/dbraw/zinc/17/10/82/365171082.db2.gz	GKJSBOPTLLDQON-UHFFFAOYSA-N	-1	1	280.291	2.196	50	0		CEAAMM
O=C(Nc1nn[n-]n1)c1ccccc1Nc1ccccc1	ZINC000118686066	365171083	/nfs/dbraw/zinc/17/10/83/365171083.db2.gz	GKJSBOPTLLDQON-UHFFFAOYSA-N	-1	1	280.291	2.196	50	0		CEAAMM
COCCN1C[C@H](Cc2ccc([O-])c(Cl)c2)CC1=O	ZINC000223257719	370264007	/nfs/dbraw/zinc/26/40/07/370264007.db2.gz	VYIYHPQNRGFCCZ-LLVKDONJSA-N	-1	1	283.755	2.083	50	0		CEAAMM
O=C(NCC[C@H]1CCCOC1)c1ccc([O-])cc1F	ZINC000529600373	380180167	/nfs/dbraw/zinc/18/01/67/380180167.db2.gz	NRTMVMRXDFXEMU-SNVBAGLBSA-N	-1	1	267.300	2.078	50	0		CEAAMM
CCCCN1C(=S)[N-]c2ccccc2S1(=O)=O	ZINC000005783572	170139987	/nfs/dbraw/zinc/13/99/87/170139987.db2.gz	MRMOLBZHFPXAOR-UHFFFAOYSA-N	-1	1	270.379	2.188	50	0		CEAAMM
O=C(C=Cc1ccc(Cl)cc1Cl)Nc1nnn[n-]1	ZINC000006557300	170213152	/nfs/dbraw/zinc/21/31/52/170213152.db2.gz	BXHLOFAPDCKPHG-DUXPYHPUSA-N	-1	1	284.106	2.158	50	0		CEAAMM
O=C(C=Cc1ccc(Cl)cc1Cl)Nc1nn[n-]n1	ZINC000006557300	170213154	/nfs/dbraw/zinc/21/31/54/170213154.db2.gz	BXHLOFAPDCKPHG-DUXPYHPUSA-N	-1	1	284.106	2.158	50	0		CEAAMM
CCCc1cc(=O)[n-]c(SC[C@H]2CCCCO2)n1	ZINC000008879887	170358058	/nfs/dbraw/zinc/35/80/58/170358058.db2.gz	UDOKUUHZGCUGTF-LLVKDONJSA-N	-1	1	268.382	2.384	50	0		CEAAMM
Cc1ccccc1C(=O)Nc1n[n-]c(C(F)(F)F)n1	ZINC000009580958	170381677	/nfs/dbraw/zinc/38/16/77/170381677.db2.gz	IDROUFILTPSPOY-UHFFFAOYSA-N	-1	1	270.214	2.384	50	0		CEAAMM
COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(N)cc1	ZINC000019404473	170785990	/nfs/dbraw/zinc/78/59/90/170785990.db2.gz	RJUISLNBSBIYHN-UHFFFAOYSA-N	-1	1	292.360	2.387	50	0		CEAAMM
CC(C)Cn1c2nnc([S-])n2c2ccsc2c1=O	ZINC000021729921	171321443	/nfs/dbraw/zinc/32/14/43/171321443.db2.gz	LXGAKTQSVQZZDR-UHFFFAOYSA-N	-1	1	280.378	2.050	50	0		CEAAMM
COc1ccc(C=CC=C2NC(=S)[N-]C2=O)cc1	ZINC000002490322	277398924	/nfs/dbraw/zinc/39/89/24/277398924.db2.gz	YICHONBJSXGNDV-TTWWKFCBSA-N	-1	1	260.318	2.008	50	0		CEAAMM
Cc1ccc(O)c(C2=NO[C@]([O-])(C(F)(F)F)C2)c1	ZINC000013130404	278835803	/nfs/dbraw/zinc/83/58/03/278835803.db2.gz	UTWVWFQRBRRSBQ-JTQLQIEISA-N	-1	1	261.199	2.076	50	0		CEAAMM
C[C@@H](C(=O)[O-])N1CCc2onc(-c3ccccc3F)c2C1	ZINC000067490765	500879303	/nfs/dbraw/zinc/87/93/03/500879303.db2.gz	YKNOIIIUCHMTKU-VIFPVBQESA-N	-1	1	290.294	2.312	50	0		CEAAMM
Cc1cnccc1CN(C)Cc1ccc(O)c(C(=O)[O-])c1	ZINC000067868619	526227694	/nfs/dbraw/zinc/22/76/94/526227694.db2.gz	QXWOQMYFUMHQPL-UHFFFAOYSA-N	-1	1	286.331	2.426	50	0		CEAAMM
CC(C)(C)c1nc(S(=O)(=O)Cc2ccc(F)cc2)n[n-]1	ZINC000195175885	526850043	/nfs/dbraw/zinc/85/00/43/526850043.db2.gz	XBQTZAPHJPMBSZ-UHFFFAOYSA-N	-1	1	297.355	2.215	50	0		CEAAMM
COc1ccccc1OCCSc1nc(C)cc(=O)[n-]1	ZINC000003901268	230367898	/nfs/dbraw/zinc/36/78/98/230367898.db2.gz	XWFBMWDUKUPLQE-UHFFFAOYSA-N	-1	1	292.360	2.258	50	0		CEAAMM
O=C(Nc1nnn[n-]1)c1ccc(Cl)c(C(F)(F)F)c1	ZINC000123201525	365635949	/nfs/dbraw/zinc/63/59/49/365635949.db2.gz	AZVNGEBJWBCQMI-UHFFFAOYSA-N	-1	1	291.620	2.124	50	0		CEAAMM
O=C(Nc1nn[n-]n1)c1ccc(Cl)c(C(F)(F)F)c1	ZINC000123201525	365635956	/nfs/dbraw/zinc/63/59/56/365635956.db2.gz	AZVNGEBJWBCQMI-UHFFFAOYSA-N	-1	1	291.620	2.124	50	0		CEAAMM
O=C(C=Cc1ccco1)OCC(=O)c1ccc([O-])cc1O	ZINC000096797830	185114290	/nfs/dbraw/zinc/11/42/90/185114290.db2.gz	JJBRZEYPLJNWFW-XQRVVYSFSA-N	-1	1	288.255	2.130	50	0		CEAAMM
O=c1[nH]c2cc(Cl)ccc2nc1C=C([O-])c1ccccn1	ZINC000017918225	343373160	/nfs/dbraw/zinc/37/31/60/343373160.db2.gz	IGUNVZSZHJVBKG-UHFFFAOYSA-N	-1	1	299.717	2.397	50	0		CEAAMM
CC[C@H](C)C[C@H](NC(=O)c1ccc([O-])c(F)c1)C(=O)OC	ZINC000585089806	539316991	/nfs/dbraw/zinc/31/69/91/539316991.db2.gz	FKSOZOMQLLZSTE-CABZTGNLSA-N	-1	1	297.326	2.239	50	0		CEAAMM
CS(=O)(=O)[N-]c1cc(C2CCCCCC2)[nH]n1	ZINC000170084363	344484121	/nfs/dbraw/zinc/48/41/21/344484121.db2.gz	GQZZZXNQACTOIP-UHFFFAOYSA-N	-1	1	257.359	2.219	50	0		CEAAMM
O=C([O-])[C@H]1CCCCN1Cc1ccc2cc[nH]c2n1	ZINC000584895423	345001351	/nfs/dbraw/zinc/00/13/51/345001351.db2.gz	WLMMGHYRQHLLQS-GFCCVEGCSA-N	-1	1	259.309	2.002	50	0		CEAAMM
C[C@@H]1C[C@@H]1C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1	ZINC000057554152	362585199	/nfs/dbraw/zinc/58/51/99/362585199.db2.gz	OQABZHWKQVORCH-ABAIWWIYSA-N	-1	1	287.359	2.470	50	0		CEAAMM
Cc1ncc(CO)c(C[N@H+]2CCC[C@H]2c2ccccn2)c1O	ZINC000067920709	362931697	/nfs/dbraw/zinc/93/16/97/362931697.db2.gz	WAKGFOSOCZAWTK-INIZCTEOSA-N	-1	1	299.374	2.320	50	0		CEAAMM
CCCC[C@@H]1C=CCN1C(=O)c1cnc(C(C)C)[n-]c1=O	ZINC000071753566	363111954	/nfs/dbraw/zinc/11/19/54/363111954.db2.gz	QDJMPNRFYYDMOI-GFCCVEGCSA-N	-1	1	289.379	2.464	50	0		CEAAMM
Cc1noc(C)c1C(=O)[N-]c1nnc([C@H]2CCCO2)s1	ZINC000079487423	363607768	/nfs/dbraw/zinc/60/77/68/363607768.db2.gz	HMQBSVQFESBDGQ-MRVPVSSYSA-N	-1	1	294.336	2.247	50	0		CEAAMM
CCOC(=O)NC(=S)[N-]c1ccc(OC)cc1	ZINC000000611172	361189256	/nfs/dbraw/zinc/18/92/56/361189256.db2.gz	AZXVIRDTNPMADL-UHFFFAOYSA-N	-1	1	254.311	2.138	50	0		CEAAMM
O=C(NC(=C(Cl)Cl)[P@@](=O)([O-])O)c1ccccc1	ZINC000002056662	361228127	/nfs/dbraw/zinc/22/81/27/361228127.db2.gz	SIXJDNRSTUBUBM-UHFFFAOYSA-N	-1	1	296.046	2.198	50	0		CEAAMM
COc1ccc(C=C2SC(=O)[N-]C2=O)c(OC)c1OC	ZINC000003034664	361261325	/nfs/dbraw/zinc/26/13/25/361261325.db2.gz	AUNKRLKUWUDMSF-RMKNXTFCSA-N	-1	1	295.316	2.036	50	0		CEAAMM
O=C1[N-]C(=O)C(=Cc2cnn(-c3ccccc3)c2)S1	ZINC000008200265	361341747	/nfs/dbraw/zinc/34/17/47/361341747.db2.gz	PFMQZZZMHKZFIY-IZZDOVSWSA-N	-1	1	271.301	2.196	50	0		CEAAMM
S=c1[n-]nc(N2CCCCC2)n1C[C@H]1CCCO1	ZINC000012505164	361386532	/nfs/dbraw/zinc/38/65/32/361386532.db2.gz	IETOCPAEZACYLX-SNVBAGLBSA-N	-1	1	268.386	2.110	50	0		CEAAMM
Cc1ccc([O-])c(C(=O)c2cnn(C(=O)C3CC3)c2)c1	ZINC000014241439	361453817	/nfs/dbraw/zinc/45/38/17/361453817.db2.gz	REPSNBLYDXALND-UHFFFAOYSA-N	-1	1	270.288	2.178	50	0		CEAAMM
CCOC(=O)c1cnc(Nc2ccc(CC)cc2)[n-]c1=O	ZINC000020101714	361580146	/nfs/dbraw/zinc/58/01/46/361580146.db2.gz	IBVDIBKVCLZMQW-UHFFFAOYSA-N	-1	1	287.319	2.253	50	0		CEAAMM
CCN(Cc1cnn(C)c1)Cc1ccc(C(=O)[O-])cc1	ZINC000263574007	190069375	/nfs/dbraw/zinc/06/93/75/190069375.db2.gz	NEJATBAFRIIESA-UHFFFAOYSA-N	-1	1	273.336	2.140	50	0		CEAAMM
Nn1c(=S)[n-]nc1C12CC3CC(CC(C3)C1)C2	ZINC000001641885	169731809	/nfs/dbraw/zinc/73/18/09/169731809.db2.gz	SBMKCHWGSHDOJU-UHFFFAOYSA-N	-1	1	250.371	2.122	50	0		CEAAMM
CC[C@]1(C)COCCN1Cc1cccc(C(=O)[O-])c1	ZINC000263424358	154085236	/nfs/dbraw/zinc/08/52/36/154085236.db2.gz	PZXQAWRYAZHFSP-OAHLLOKOSA-N	-1	1	263.337	2.386	50	0		CEAAMM
CCc1cc(=O)[n-]c(Nc2cc(OC)ccc2OC)n1	ZINC000005009333	170054576	/nfs/dbraw/zinc/05/45/76/170054576.db2.gz	UYPTUNXFFVQSDI-UHFFFAOYSA-N	-1	1	275.308	2.093	50	0		CEAAMM
CCn1c(CNC(=O)c2ccccc2F)n[n-]c1=S	ZINC000005909224	170153610	/nfs/dbraw/zinc/15/36/10/170153610.db2.gz	OZARTQDBZULXMV-UHFFFAOYSA-N	-1	1	280.328	2.030	50	0		CEAAMM
S=c1[n-]ncn1NCc1cccc(Br)c1	ZINC000005996158	170165900	/nfs/dbraw/zinc/16/59/00/170165900.db2.gz	GVJZBRUKGHLCJD-UHFFFAOYSA-N	-1	1	285.170	2.447	50	0		CEAAMM
Cc1ccccc1C(=O)Nc1nn2c([n-]1)nc(C)c(C)c2=O	ZINC000008613550	170343048	/nfs/dbraw/zinc/34/30/48/170343048.db2.gz	MNWOQVWCRQHIGZ-UHFFFAOYSA-N	-1	1	297.318	2.007	50	0		CEAAMM
CC[C@]1(C)Cc2ccccc2-c2nc(NCCO)[n-]c(=O)c21	ZINC000008686220	170345511	/nfs/dbraw/zinc/34/55/11/170345511.db2.gz	PTMQJVFXFXBFAS-QGZVFWFLSA-N	-1	1	299.374	2.065	50	0		CEAAMM
O=C([O-])CSc1nc2ccc(OC(F)F)cc2[nH]1	ZINC000009421537	170376534	/nfs/dbraw/zinc/37/65/34/170376534.db2.gz	CZMRRZNJVSUEOP-UHFFFAOYSA-N	-1	1	274.248	2.341	50	0		CEAAMM
CC[C@H](O)C1CCN(C(=O)c2ccc([O-])c(F)c2)CC1	ZINC000218815412	414843746	/nfs/dbraw/zinc/84/37/46/414843746.db2.gz	JRYKWQOOOARMEQ-ZDUSSCGKSA-N	-1	1	281.327	2.154	50	0		CEAAMM
CCn1c(CCNC(=O)CC2CCCC2)n[n-]c1=S	ZINC000078543150	177352058	/nfs/dbraw/zinc/35/20/58/177352058.db2.gz	JXBASYOTVWJSTG-UHFFFAOYSA-N	-1	1	282.413	2.200	50	0		CEAAMM
CC(C)[C@@H]1Cc2ccccc2-c2nc(NN)[n-]c(=O)c21	ZINC000005818022	277826396	/nfs/dbraw/zinc/82/63/96/277826396.db2.gz	KCTTYICCWNSKNG-NSHDSACASA-N	-1	1	270.336	2.018	50	0		CEAAMM
CC(C)n1[n-]c(=O)c2c1NC(=O)C[C@@H]2C(F)(F)F	ZINC000071279735	278119697	/nfs/dbraw/zinc/11/96/97/278119697.db2.gz	KKVOUTXTTZXHHL-YFKPBYRVSA-N	-1	1	263.219	2.395	50	0		CEAAMM
CC[C@H](NCc1cccc(C(=O)[O-])n1)c1ccncc1	ZINC000822662146	810592156	/nfs/dbraw/zinc/59/21/56/810592156.db2.gz	KJAQFHGFXYXCGX-ZDUSSCGKSA-N	-1	1	271.320	2.416	50	0		CEAAMM
C[C@H](CN(C)C(=O)CC1(C)CCCCC1)c1nn[n-]n1	ZINC000124708238	365657546	/nfs/dbraw/zinc/65/75/46/365657546.db2.gz	MUUWUUCXNVEAAC-LLVKDONJSA-N	-1	1	279.388	2.122	50	0		CEAAMM
CCOc1ccc(C=C2SC(=O)[N-]C2=O)c(O)c1	ZINC000075252640	343843659	/nfs/dbraw/zinc/84/36/59/343843659.db2.gz	VIWBAZLLEPGNTI-YHYXMXQVSA-N	-1	1	265.290	2.115	50	0		CEAAMM
C[C@@H](c1ccccc1)[C@](C)(O)C(=O)Nc1ccncc1[O-]	ZINC000170072789	344484181	/nfs/dbraw/zinc/48/41/81/344484181.db2.gz	OSTAMHBYAPQIAT-ZBEGNZNMSA-N	-1	1	286.331	2.280	50	0		CEAAMM
CO[C@]1(C)C[C@@H](N(C)C(=O)c2ncccc2[O-])C1(C)C	ZINC000128710351	365802606	/nfs/dbraw/zinc/80/26/06/365802606.db2.gz	KFLPQKHHWNBPRR-IAQYHMDHSA-N	-1	1	278.352	2.063	50	0		CEAAMM
O=C([O-])[C@@H]1CCN(Cc2coc(-c3cccc(F)c3)n2)C1	ZINC000062133885	362710841	/nfs/dbraw/zinc/71/08/41/362710841.db2.gz	IFZRYZFYZPGLIZ-LLVKDONJSA-N	-1	1	290.294	2.387	50	0		CEAAMM
COc1cccc(S(=O)(=O)[N-]c2ccccc2)c1	ZINC000074934502	363424325	/nfs/dbraw/zinc/42/43/25/363424325.db2.gz	DKUZCXKLFABUAJ-UHFFFAOYSA-N	-1	1	263.318	2.496	50	0		CEAAMM
O=C([N-]C(=O)C(F)(F)F)Nc1ccccc1F	ZINC000000107999	361129000	/nfs/dbraw/zinc/12/90/00/361129000.db2.gz	DFCRVZMSEMNUMW-UHFFFAOYSA-N	-1	1	250.151	2.036	50	0		CEAAMM
O=S(=O)([N-]c1ccc2ccccc2n1)c1ccccc1	ZINC000000152049	361135989	/nfs/dbraw/zinc/13/59/89/361135989.db2.gz	BGNLMYNGHLKDDO-UHFFFAOYSA-N	-1	1	284.340	2.458	50	0		CEAAMM
CC(C)COc1ccc(/C=C2\NC(=S)[N-]C2=O)cc1	ZINC000004093701	361300510	/nfs/dbraw/zinc/30/05/10/361300510.db2.gz	UKBLFOPQVVYIDD-GHXNOFRVSA-N	-1	1	276.361	2.067	50	0		CEAAMM
COc1ccc(S(=O)(=O)[N-]c2ccncc2)c(C)c1F	ZINC000097083728	364443881	/nfs/dbraw/zinc/44/38/81/364443881.db2.gz	BYVAKCKPBQQUNU-UHFFFAOYSA-N	-1	1	296.323	2.339	50	0		CEAAMM
CCSCC[C@@H](C)N(C)C(=O)c1ncccc1[O-]	ZINC000097377919	364496951	/nfs/dbraw/zinc/49/69/51/364496951.db2.gz	PIZGTUKZCOOVTN-SNVBAGLBSA-N	-1	1	268.382	2.391	50	0		CEAAMM
O=C([O-])c1ccc(CNCc2cccc3c2OCCO3)cc1	ZINC000170090918	367376566	/nfs/dbraw/zinc/37/65/66/367376566.db2.gz	TXXHECSEOGWXEQ-UHFFFAOYSA-N	-1	1	299.326	2.446	50	0		CEAAMM
Cc1n[nH]cc1CN(C)Cc1ccccc1C(=O)[O-]	ZINC000215165777	370173326	/nfs/dbraw/zinc/17/33/26/370173326.db2.gz	PKWYGHGSXDUITE-UHFFFAOYSA-N	-1	1	259.309	2.048	50	0		CEAAMM
C[C@@H](Oc1ccccc1CN1CCSCC1)C(=O)[O-]	ZINC000215487908	370176330	/nfs/dbraw/zinc/17/63/30/370176330.db2.gz	GRMYDNIFBNFPGV-LLVKDONJSA-N	-1	1	281.377	2.087	50	0		CEAAMM
O=C1[N-]C(=O)/C(=C\c2ccc(Cl)c(Cl)c2)N1	ZINC000000319305	284858408	/nfs/dbraw/zinc/85/84/08/284858408.db2.gz	JFYMAONZMAOSPO-XBXARRHUSA-N	-1	1	257.076	2.174	50	0		CEAAMM
Cc1cccc(CS(=O)(=O)[N-]c2ccc(F)cn2)c1	ZINC000095941008	394674469	/nfs/dbraw/zinc/67/44/69/394674469.db2.gz	PZALUUPUWRGQLT-UHFFFAOYSA-N	-1	1	280.324	2.471	50	0		CEAAMM
Cc1nc2[n-]cnn2c(=O)c1C/C=C/c1ccccc1	ZINC000005721406	170133116	/nfs/dbraw/zinc/13/31/16/170133116.db2.gz	PQPRUNZDKJADHA-VMPITWQZSA-N	-1	1	266.304	2.394	50	0		CEAAMM
Cc1cc(=O)[n-]c(SCCOc2ccc(F)cc2)n1	ZINC000008750372	170354226	/nfs/dbraw/zinc/35/42/26/170354226.db2.gz	IXZLDDVWWVPRQB-UHFFFAOYSA-N	-1	1	280.324	2.389	50	0		CEAAMM
Cn1c(SCC(=O)c2ccc([O-])cc2)nnc1C1CC1	ZINC000009218787	170367273	/nfs/dbraw/zinc/36/72/73/170367273.db2.gz	IXQZZPIKOPWBJI-UHFFFAOYSA-N	-1	1	289.360	2.373	50	0		CEAAMM
CC(=O)c1ccc(C(=O)[N-]c2nncs2)s1	ZINC000021215116	171299719	/nfs/dbraw/zinc/29/97/19/171299719.db2.gz	MSWIHHPRSFZRFF-UHFFFAOYSA-N	-1	1	253.308	2.055	50	0		CEAAMM
O=C([O-])c1sccc1NS(=O)(=O)c1ccccc1	ZINC000038137743	174133517	/nfs/dbraw/zinc/13/35/17/174133517.db2.gz	BFPYDKRUFUMDTD-UHFFFAOYSA-N	-1	1	283.330	2.247	50	0		CEAAMM
Cc1nnc([N-]C(=O)c2ccc(Br)o2)s1	ZINC000000175617	279228728	/nfs/dbraw/zinc/22/87/28/279228728.db2.gz	JOUJLUKVNMJGIQ-UHFFFAOYSA-N	-1	1	288.126	2.454	50	0		CEAAMM
CN(CCc1ccccn1)C(=O)c1c([O-])cccc1F	ZINC000163715300	321700613	/nfs/dbraw/zinc/70/06/13/321700613.db2.gz	JJYVLSXFMKSMPX-UHFFFAOYSA-N	-1	1	274.295	2.241	50	0		CEAAMM
CC(C)(C)[C@H]1CCC[C@H]1Nc1nc2[nH][n-]cc-2c(=O)n1	ZINC000562732414	327510336	/nfs/dbraw/zinc/51/03/36/327510336.db2.gz	ULJKPENFSNNLQM-VHSXEESVSA-N	-1	1	275.356	2.059	50	0		CEAAMM
O=C(Nc1ccc(-c2ccccn2)cn1)c1cncc([O-])c1	ZINC000095977855	185051815	/nfs/dbraw/zinc/05/18/15/185051815.db2.gz	YXCNRZJMLHHVGB-UHFFFAOYSA-N	-1	1	292.298	2.497	50	0		CEAAMM
CCSC(=S)N[C@H](C(=O)[O-])c1ccccc1	ZINC000005908853	343355385	/nfs/dbraw/zinc/35/53/85/343355385.db2.gz	WKVRVEHQWVUECN-VIFPVBQESA-N	-1	1	255.364	2.440	50	0		CEAAMM
Cc1nnsc1C(=O)[N-]c1nnc(C2CCC2)s1	ZINC000061718834	362687019	/nfs/dbraw/zinc/68/70/19/362687019.db2.gz	SELCXHFFYWEWCM-UHFFFAOYSA-N	-1	1	281.366	2.218	50	0		CEAAMM
O=C([O-])C[C@@H]1CSCCN1Cc1ccccc1F	ZINC000091130707	180101329	/nfs/dbraw/zinc/10/13/29/180101329.db2.gz	HBNBWTRDVVIXJM-LLVKDONJSA-N	-1	1	269.341	2.218	50	0		CEAAMM
CC(=O)c1ccc(S(=O)(=O)[N-]c2ccnc(C)c2)cc1	ZINC000074932235	363423075	/nfs/dbraw/zinc/42/30/75/363423075.db2.gz	HEPZBZSSCKTSHD-UHFFFAOYSA-N	-1	1	290.344	2.393	50	0		CEAAMM
COc1ccc(C(=O)c2ccc(OC)cc2O)c([O-])c1	ZINC000000155181	361137237	/nfs/dbraw/zinc/13/72/37/361137237.db2.gz	SODJJEXAWOSSON-UHFFFAOYSA-N	-1	1	274.272	2.346	50	0	in-vitro	CEAAMM
O=C(Nc1nnn[n-]1)C1c2ccccc2Oc2ccccc21	ZINC000000204991	361145326	/nfs/dbraw/zinc/14/53/26/361145326.db2.gz	CNDAPLYTRFGFNK-UHFFFAOYSA-N	-1	1	293.286	2.076	50	0		CEAAMM
O=C(Nc1nn[n-]n1)C1c2ccccc2Oc2ccccc21	ZINC000000204991	361145331	/nfs/dbraw/zinc/14/53/31/361145331.db2.gz	CNDAPLYTRFGFNK-UHFFFAOYSA-N	-1	1	293.286	2.076	50	0		CEAAMM
O=C(Nc1nccs1)c1cc2ccc([O-])cc2oc1=O	ZINC000000273921	361155955	/nfs/dbraw/zinc/15/59/55/361155955.db2.gz	QRIGUMNPQIJEKN-UHFFFAOYSA-N	-1	1	288.284	2.207	50	0		CEAAMM
O=C(Cc1c([O-])[nH]c2ccccc2c1=O)Nc1ccccc1	ZINC000000406254	361170888	/nfs/dbraw/zinc/17/08/88/361170888.db2.gz	SLUDKLKIFITBLD-UHFFFAOYSA-N	-1	1	294.310	2.415	50	0		CEAAMM
O=C([N-]Cc1ccc2c(c1)OCO2)C(Cl)(Cl)Cl	ZINC000000455732	361177290	/nfs/dbraw/zinc/17/72/90/361177290.db2.gz	IPIMYTZARCNUBD-UHFFFAOYSA-N	-1	1	296.537	2.402	50	0		CEAAMM
CCCC[C@@]1(c2ccccc2)C(=O)[N-]C(=O)NC1=O	ZINC000001997477	361224597	/nfs/dbraw/zinc/22/45/97/361224597.db2.gz	IFHBURLPIXMUQI-UHFFFAOYSA-N	-1	1	260.293	2.321	50	0		CEAAMM
CCCC[C@]1(c2ccccc2)C(=O)[N-]C(=O)NC1=O	ZINC000001997477	361224600	/nfs/dbraw/zinc/22/46/00/361224600.db2.gz	IFHBURLPIXMUQI-UHFFFAOYSA-N	-1	1	260.293	2.321	50	0		CEAAMM
O=[P@]([O-])(O)Cc1ccc(Br)cc1	ZINC000002524678	361238014	/nfs/dbraw/zinc/23/80/14/361238014.db2.gz	AJSDTRXBGITXHM-UHFFFAOYSA-N	-1	1	251.016	2.127	50	0		CEAAMM
CCc1ccc(OCCSc2nc(N)cc(=O)[n-]2)cc1	ZINC000016489951	361489623	/nfs/dbraw/zinc/48/96/23/361489623.db2.gz	LDYQDVLZUKEJHN-UHFFFAOYSA-N	-1	1	291.376	2.086	50	0		CEAAMM
O=C(NCc1ccccn1)c1cc(Cl)ccc1[O-]	ZINC000019840099	361558738	/nfs/dbraw/zinc/55/87/38/361558738.db2.gz	KDLFEDQUSPQSTA-UHFFFAOYSA-N	-1	1	262.696	2.371	50	0		CEAAMM
Cc1c(=O)[n-]c(SCCCO)nc1-c1ccccc1	ZINC000185056531	189402403	/nfs/dbraw/zinc/40/24/03/189402403.db2.gz	XRPCRGSUDYRUFE-UHFFFAOYSA-N	-1	1	276.361	2.220	50	0		CEAAMM
CC(C)c1cc(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)n[nH]1	ZINC000097045113	364430816	/nfs/dbraw/zinc/43/08/16/364430816.db2.gz	FHYDURKEMNJCTD-LLVKDONJSA-N	-1	1	293.367	2.250	50	0		CEAAMM
Cc1cc(=O)[n-]c(NN=C2CCc3ccccc32)n1	ZINC000252457558	371439114	/nfs/dbraw/zinc/43/91/14/371439114.db2.gz	REWFRIKLQBZZLU-UHFFFAOYSA-N	-1	1	254.293	2.253	50	0		CEAAMM
Cc1cc2c(c(=O)n1C1CCCCC1)C(=S)[N-]C2=O	ZINC000006008847	292000923	/nfs/dbraw/zinc/00/09/23/292000923.db2.gz	CRUJWBQIUMPTDO-UHFFFAOYSA-N	-1	1	276.361	2.081	50	0		CEAAMM
CC1(C)C[C@H](c2c(N)[nH]c(=S)[n-]c2=O)CCS1	ZINC000005625264	170121478	/nfs/dbraw/zinc/12/14/78/170121478.db2.gz	OOLKKTWUZHXEHG-ZCFIWIBFSA-N	-1	1	271.411	2.404	50	0		CEAAMM
Cc1cccc(OCCSc2nc(N)cc(=O)[n-]2)c1C	ZINC000016527099	170701435	/nfs/dbraw/zinc/70/14/35/170701435.db2.gz	SHTLDDFGJZPEGV-UHFFFAOYSA-N	-1	1	291.376	2.140	50	0		CEAAMM
Cc1cccc(NC(=O)CSc2nccc(=O)[n-]2)c1C	ZINC000018172826	170744978	/nfs/dbraw/zinc/74/49/78/170744978.db2.gz	FPFQYIULHDECQV-UHFFFAOYSA-N	-1	1	289.360	2.118	50	0		CEAAMM
O=C([N-]OCc1ccccc1)c1c[nH]c2ccccc2c1=O	ZINC000032992464	171767200	/nfs/dbraw/zinc/76/72/00/171767200.db2.gz	FOGMJEDYNXVCGY-UHFFFAOYSA-N	-1	1	294.310	2.390	50	0		CEAAMM
CC(C)([N-]S(=O)(=O)c1cccs1)C(C)(F)F	ZINC000656186984	415623173	/nfs/dbraw/zinc/62/31/73/415623173.db2.gz	WZEZZLTYVUXAPN-UHFFFAOYSA-N	-1	1	269.338	2.460	50	0		CEAAMM
O=C([O-])c1ccccc1[C@H]1CCN(Cc2ncc[nH]2)C1	ZINC000072147793	176325857	/nfs/dbraw/zinc/32/58/57/176325857.db2.gz	RVXWBNDHDKLGJW-NSHDSACASA-N	-1	1	271.320	2.097	50	0		CEAAMM
C[C@@H]1CO[C@@H](c2ccccc2)CN1CCCC(=O)[O-]	ZINC000116391609	228058488	/nfs/dbraw/zinc/05/84/88/228058488.db2.gz	YVXHYCNDLGWXBI-TZMCWYRMSA-N	-1	1	263.337	2.313	50	0		CEAAMM
O=c1nc(-c2nnc[nH]2)[n-]c2scc(-c3ccco3)c21	ZINC000102748002	280385710	/nfs/dbraw/zinc/38/57/10/280385710.db2.gz	DYFBRPATWYQGHO-UHFFFAOYSA-N	-1	1	285.288	2.030	50	0		CEAAMM
Cc1nc(CN2CCC(CCC(=O)[O-])CC2)n(C)c1C	ZINC000534642154	328328824	/nfs/dbraw/zinc/32/88/24/328328824.db2.gz	YOWGLXIAMWVDIL-UHFFFAOYSA-N	-1	1	279.384	2.114	50	0		CEAAMM
CCOC(=O)c1ccc(CC(=O)c2ccc([O-])cc2O)o1	ZINC000000503731	528210141	/nfs/dbraw/zinc/21/01/41/528210141.db2.gz	FSSIPGOULZYBIG-UHFFFAOYSA-N	-1	1	290.271	2.293	50	0		CEAAMM
CC[C@H](C(=O)Nc1nnn[n-]1)c1cccc(C(F)(F)F)c1	ZINC000096460427	529623632	/nfs/dbraw/zinc/62/36/32/529623632.db2.gz	PPRCUBDDYFSUER-VIFPVBQESA-N	-1	1	299.256	2.351	50	0		CEAAMM
CC[C@H](C(=O)Nc1nn[n-]n1)c1cccc(C(F)(F)F)c1	ZINC000096460427	529623636	/nfs/dbraw/zinc/62/36/36/529623636.db2.gz	PPRCUBDDYFSUER-VIFPVBQESA-N	-1	1	299.256	2.351	50	0		CEAAMM
CCCc1cc(=O)[n-]c(SCc2ccn(C)c(=O)c2)n1	ZINC000042089862	362059314	/nfs/dbraw/zinc/05/93/14/362059314.db2.gz	IBSXNXCNRDWBRK-UHFFFAOYSA-N	-1	1	291.376	2.126	50	0		CEAAMM
CCCn1cc(C(=O)c2cc(OC)ccc2[O-])cn1	ZINC000058156010	362609422	/nfs/dbraw/zinc/60/94/22/362609422.db2.gz	ZUEYJYVWWRTYPB-UHFFFAOYSA-N	-1	1	260.293	2.238	50	0		CEAAMM
Cc1ccc(C)c(OCCCCC(=O)Nc2nnn[n-]2)c1	ZINC000060380445	362660322	/nfs/dbraw/zinc/66/03/22/362660322.db2.gz	SQJFDZJKAJKOCK-UHFFFAOYSA-N	-1	1	289.339	2.004	50	0		CEAAMM
Cc1ccc(C)c(OCCCCC(=O)Nc2nn[n-]n2)c1	ZINC000060380445	362660325	/nfs/dbraw/zinc/66/03/25/362660325.db2.gz	SQJFDZJKAJKOCK-UHFFFAOYSA-N	-1	1	289.339	2.004	50	0		CEAAMM
CC[C@@H](C)[N-]S(=O)(=O)c1ccc(-c2cc(C)no2)o1	ZINC000064958394	362800156	/nfs/dbraw/zinc/80/01/56/362800156.db2.gz	YUGGYBSWQUMRDJ-MRVPVSSYSA-N	-1	1	284.337	2.320	50	0		CEAAMM
O=C([O-])CCN1CCc2[nH]nc(-c3ccccc3F)c2C1	ZINC000067773827	362924683	/nfs/dbraw/zinc/92/46/83/362924683.db2.gz	XPFVNQPLXLMPGA-UHFFFAOYSA-N	-1	1	289.310	2.049	50	0		CEAAMM
CC(C)C[C@H]1CN(C(=O)c2ncccc2[O-])CC[C@@]1(C)O	ZINC000067840554	362927415	/nfs/dbraw/zinc/92/74/15/362927415.db2.gz	AMPKSWQHMOGRIA-BLLLJJGKSA-N	-1	1	292.379	2.046	50	0		CEAAMM
CCC[C@H](NC(=O)c1cccc(C)c1Cl)c1nn[n-]n1	ZINC000123130359	187072661	/nfs/dbraw/zinc/07/26/61/187072661.db2.gz	RBKALWUGZMKFOP-JTQLQIEISA-N	-1	1	293.758	2.433	50	0		CEAAMM
O=C([O-])C1=Nc2ccccc2NC2=C1N1CCC2CC1	ZINC000034798089	304036582	/nfs/dbraw/zinc/03/65/82/304036582.db2.gz	VIMVTXTUODIMFC-UHFFFAOYSA-N	-1	1	269.304	2.206	50	0		CEAAMM
Cc1cccc(NC(=O)c2cc3ccc([O-])cc3oc2=O)n1	ZINC000000418553	361172236	/nfs/dbraw/zinc/17/22/36/361172236.db2.gz	NOEWUGPHDFOSED-UHFFFAOYSA-N	-1	1	296.282	2.454	50	0		CEAAMM
Cc1ccc(S(=O)(=O)[N-]c2ccccc2N)cc1	ZINC000000364021	361166463	/nfs/dbraw/zinc/16/64/63/361166463.db2.gz	AQUNQTJQZYZXMR-UHFFFAOYSA-N	-1	1	262.334	2.378	50	0		CEAAMM
CCCCc1c([O-])nc(N2CCc3ccccc3C2)[nH]c1=O	ZINC000012407314	361384458	/nfs/dbraw/zinc/38/44/58/361384458.db2.gz	RXLYVHIIBLCXFA-UHFFFAOYSA-N	-1	1	299.374	2.381	50	0		CEAAMM
CCCN(C)C(=O)c1cnc2nc(C)ccc2c1[O-]	ZINC000084750234	363821600	/nfs/dbraw/zinc/82/16/00/363821600.db2.gz	XAZPOSLQXHFXLS-UHFFFAOYSA-N	-1	1	259.309	2.126	50	0		CEAAMM
CCCN(C)C(=O)c1c[n-]c2nc(C)ccc2c1=O	ZINC000084750234	363821602	/nfs/dbraw/zinc/82/16/02/363821602.db2.gz	XAZPOSLQXHFXLS-UHFFFAOYSA-N	-1	1	259.309	2.126	50	0		CEAAMM
C[C@@H]1CN(CCCC(=O)[O-])C[C@@H](c2ccsc2)O1	ZINC000240423803	370779256	/nfs/dbraw/zinc/77/92/56/370779256.db2.gz	FRBGXYYTQFQZQG-PWSUYJOCSA-N	-1	1	269.366	2.375	50	0		CEAAMM
CCc1c([O-])[nH]c(=S)n(-c2ccccc2C)c1=O	ZINC000100609670	364548076	/nfs/dbraw/zinc/54/80/76/364548076.db2.gz	WVHSFJHGTBIHSA-UHFFFAOYSA-N	-1	1	262.334	2.098	50	0		CEAAMM
C[C@@H]1CN(C(=O)c2ncccc2[O-])[C@@H]2CCCC[C@H]21	ZINC000195571039	189680760	/nfs/dbraw/zinc/68/07/60/189680760.db2.gz	WZSPPLGBRHSIDF-GRYCIOLGSA-N	-1	1	260.337	2.438	50	0		CEAAMM
O=C([O-])c1cn(C2CC2)c2c(O)c(F)c(F)cc2c1=O	ZINC000038236336	304274260	/nfs/dbraw/zinc/27/42/60/304274260.db2.gz	NTWOKQCCNHKEIU-UHFFFAOYSA-N	-1	1	281.214	2.018	50	0	in-vitro	CEAAMM
CCCCc1c([O-])[nH]c(=O)n(C2CCCCC2)c1=O	ZINC000002040306	394452109	/nfs/dbraw/zinc/45/21/09/394452109.db2.gz	DVEQCIBLXRSYPH-LLVKDONJSA-N	-1	1	266.341	2.204	50	0	in-man	CEAAMM
CC[C@@H](c1ccc(F)cc1F)N1CCN(CC(=O)[O-])CC1	ZINC000236980954	394490089	/nfs/dbraw/zinc/49/00/89/394490089.db2.gz	JOUUQSPKBGAJDH-AWEZNQCLSA-N	-1	1	298.333	2.118	50	0		CEAAMM
CO[C@@]1(C)C[C@@H](N(C)C(=O)c2ncccc2[O-])C1(C)C	ZINC000128710848	394854727	/nfs/dbraw/zinc/85/47/27/394854727.db2.gz	KFLPQKHHWNBPRR-ABAIWWIYSA-N	-1	1	278.352	2.063	50	0		CEAAMM
CCCc1cc(=O)[n-]c(Nc2cc(C)ccc2O)n1	ZINC000005625375	170121390	/nfs/dbraw/zinc/12/13/90/170121390.db2.gz	YAWAMAMKRPHBIM-UHFFFAOYSA-N	-1	1	259.309	2.480	50	0		CEAAMM
Cc1ccc(S(=O)(=O)[N-]c2cccnc2)c(C)c1	ZINC000006706580	170231072	/nfs/dbraw/zinc/23/10/72/170231072.db2.gz	QPGBWQIDORXCLZ-UHFFFAOYSA-N	-1	1	262.334	2.499	50	0		CEAAMM
Cc1nnc(SC(=Cc2ccccc2)C(=O)[O-])[nH]1	ZINC000009328261	170372237	/nfs/dbraw/zinc/37/22/37/170372237.db2.gz	WOHCJTFSOQCTBE-YFHOEESVSA-N	-1	1	261.306	2.331	50	0		CEAAMM
Cc1nc(SC(=Cc2ccccc2)C(=O)[O-])n[nH]1	ZINC000009328261	170372239	/nfs/dbraw/zinc/37/22/39/170372239.db2.gz	WOHCJTFSOQCTBE-YFHOEESVSA-N	-1	1	261.306	2.331	50	0		CEAAMM
O=C(NCCCCn1ccnc1)c1cc(Cl)ccc1[O-]	ZINC000044389403	175170619	/nfs/dbraw/zinc/17/06/19/175170619.db2.gz	YLGWQKRTDJCDFZ-UHFFFAOYSA-N	-1	1	293.754	2.452	50	0		CEAAMM
CC1(C)Cc2c(sc3ncn4c(=S)[n-]nc4c23)CO1	ZINC000001302050	326794346	/nfs/dbraw/zinc/79/43/46/326794346.db2.gz	LJNYIGHLJRFYGD-UHFFFAOYSA-N	-1	1	292.389	2.479	50	0		CEAAMM
Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@H]1C=CCCC1	ZINC000096466479	534876754	/nfs/dbraw/zinc/87/67/54/534876754.db2.gz	CDGWYXIHMWNOKO-NSHDSACASA-N	-1	1	275.352	2.040	50	0		CEAAMM
O=C(OCc1nn[n-]n1)C1CCC(c2ccccc2)CC1	ZINC000888099213	628868066	/nfs/dbraw/zinc/86/80/66/628868066.db2.gz	CULJYBAFGKUJQO-UHFFFAOYSA-N	-1	1	286.335	2.217	50	0		CEAAMM
CC[C@H](NC(=O)Cc1cccc2ccccc21)c1nn[n-]n1	ZINC000584906899	813604656	/nfs/dbraw/zinc/60/46/56/813604656.db2.gz	RKPRUCWAOBWXSC-AWEZNQCLSA-N	-1	1	295.346	2.163	50	0		CEAAMM
O=C([O-])[C@@H]1C[C@H]1C(=O)Nc1ccc2nc(C3CCC3)[nH]c2c1	ZINC000097017714	230386501	/nfs/dbraw/zinc/38/65/01/230386501.db2.gz	LZONXEDZYIRYCM-GHMZBOCLSA-N	-1	1	299.330	2.490	50	0		CEAAMM
CC(C)N(CCc1nccs1)C(=O)c1cncc([O-])c1	ZINC000095979555	185052790	/nfs/dbraw/zinc/05/27/90/185052790.db2.gz	ZSTCEJJIWKNCAX-UHFFFAOYSA-N	-1	1	291.376	2.337	50	0		CEAAMM
CCS(=O)(=O)[N-]c1cc(Br)ccc1OC	ZINC000042350562	362084797	/nfs/dbraw/zinc/08/47/97/362084797.db2.gz	NEWGAOIIOOCGNH-UHFFFAOYSA-N	-1	1	294.170	2.219	50	0		CEAAMM
C[C@@H](C(=O)[O-])c1nc(-c2ccc(Br)cc2)n[nH]1	ZINC000075250424	343843502	/nfs/dbraw/zinc/84/35/02/343843502.db2.gz	LYZODJYPNREMPI-ZCFIWIBFSA-N	-1	1	296.124	2.422	50	0		CEAAMM
C[C@@H](C(=O)[O-])c1n[nH]c(-c2ccc(Br)cc2)n1	ZINC000075250424	343843504	/nfs/dbraw/zinc/84/35/04/343843504.db2.gz	LYZODJYPNREMPI-ZCFIWIBFSA-N	-1	1	296.124	2.422	50	0		CEAAMM
CC[C@H](NC(=O)c1cncc([O-])c1)c1cccc(C)n1	ZINC000584891202	344999798	/nfs/dbraw/zinc/99/97/98/344999798.db2.gz	ZHPQNBWFPBCXPA-ZDUSSCGKSA-N	-1	1	271.320	2.372	50	0		CEAAMM
CS(=O)(=O)[N-]c1ccc(Oc2ccc(F)cc2)cn1	ZINC000130043139	365919563	/nfs/dbraw/zinc/91/95/63/365919563.db2.gz	NUQBCVWVAXMZJP-UHFFFAOYSA-N	-1	1	282.296	2.385	50	0		CEAAMM
C[C@H](c1c(F)cccc1F)N1CC[C@H](C(=O)[O-])C1	ZINC000086790303	179335413	/nfs/dbraw/zinc/33/54/13/179335413.db2.gz	YEWDYFDQSYUPJO-BDAKNGLRSA-N	-1	1	255.264	2.432	50	0		CEAAMM
Cc1ccoc1C(=O)N(C)CC(=O)c1ccc([O-])cc1	ZINC000067723939	362920568	/nfs/dbraw/zinc/92/05/68/362920568.db2.gz	VVMCMAXYDLMBRO-UHFFFAOYSA-N	-1	1	273.288	2.249	50	0		CEAAMM
CCn1c(=S)[n-]nc1C1CCN(C(=O)[C@@H]2C[C@@H]2C)CC1	ZINC000068453904	362941758	/nfs/dbraw/zinc/94/17/58/362941758.db2.gz	JFHCGVVYKPNICA-GXSJLCMTSA-N	-1	1	294.424	2.323	50	0		CEAAMM
C[C@]1(c2ccccc2)CN(CCCC(=O)[O-])CCO1	ZINC000131745219	366084717	/nfs/dbraw/zinc/08/47/17/366084717.db2.gz	GDANFYSCVVLCQQ-OAHLLOKOSA-N	-1	1	263.337	2.099	50	0		CEAAMM
CCC[C@H](NC(=O)c1ccc(Cl)cc1C)c1nn[n-]n1	ZINC000133212154	366204887	/nfs/dbraw/zinc/20/48/87/366204887.db2.gz	AXEJBUPGDPMXEJ-NSHDSACASA-N	-1	1	293.758	2.433	50	0		CEAAMM
CCOc1ccc2nc(SCC(=O)[O-])[nH]c2c1	ZINC000000157507	361137518	/nfs/dbraw/zinc/13/75/18/361137518.db2.gz	PDUCFBXPHICEPX-UHFFFAOYSA-N	-1	1	252.295	2.138	50	0		CEAAMM
CC1CCN(c2n[n-]c(=S)n2C[C@H]2CCCO2)CC1	ZINC000012588376	361391982	/nfs/dbraw/zinc/39/19/82/361391982.db2.gz	DIUJAUGZVPKJPV-LLVKDONJSA-N	-1	1	282.413	2.356	50	0		CEAAMM
COc1ccc([O-])c(C(=O)c2cnn(-c3ccccn3)c2)c1	ZINC000013146662	361420735	/nfs/dbraw/zinc/42/07/35/361420735.db2.gz	GROHVPFDIXNJGY-UHFFFAOYSA-N	-1	1	295.298	2.213	50	0		CEAAMM
O=C(CN1c2ccccc2N2CCN=C12)c1ccc([O-])cc1	ZINC000013590494	361432293	/nfs/dbraw/zinc/43/22/93/361432293.db2.gz	WQDLLQWEUIBPJW-UHFFFAOYSA-N	-1	1	293.326	2.271	50	0		CEAAMM
Cc1ccc(S(=O)(=O)[N-]c2ccncc2)cc1C	ZINC000013947599	361446737	/nfs/dbraw/zinc/44/67/37/361446737.db2.gz	FILLHOBSDFQOLN-UHFFFAOYSA-N	-1	1	262.334	2.499	50	0		CEAAMM
Cc1nc(Nc2nc(C)c3ccccc3n2)[n-]c(=O)c1C	ZINC000017028895	361502803	/nfs/dbraw/zinc/50/28/03/361502803.db2.gz	SLPSUOKHRYNEIV-UHFFFAOYSA-N	-1	1	281.319	2.382	50	0		CEAAMM
C[C@H]1CN(C(=O)c2cc(Cl)ccc2[O-])C[C@H](C)O1	ZINC000019837439	361559263	/nfs/dbraw/zinc/55/92/63/361559263.db2.gz	BWSOAYOMJSRRNR-IUCAKERBSA-N	-1	1	269.728	2.295	50	0		CEAAMM
Cn1cnc(S(=O)(=O)[N-]C2CCCCCC2)c1Cl	ZINC000027938043	361664007	/nfs/dbraw/zinc/66/40/07/361664007.db2.gz	YEVKORRZSLJBIH-UHFFFAOYSA-N	-1	1	291.804	2.075	50	0		CEAAMM
CCC[C@@H](NC(=O)[C@H](C)Cc1ccccc1)c1nn[n-]n1	ZINC000089949529	364022399	/nfs/dbraw/zinc/02/23/99/364022399.db2.gz	UVFSNJJMMPTPTE-DGCLKSJQSA-N	-1	1	287.367	2.036	50	0		CEAAMM
C[C@H]1CN(CCC(=O)[O-])C[C@@H](c2ccc(F)cc2)O1	ZINC000237663377	370742529	/nfs/dbraw/zinc/74/25/29/370742529.db2.gz	KSZIQELDNOSZKV-GWCFXTLKSA-N	-1	1	267.300	2.062	50	0		CEAAMM
CC[C@H](NC(=O)c1ncccc1[O-])c1c(C)nn(C)c1C	ZINC000097165499	364470756	/nfs/dbraw/zinc/47/07/56/364470756.db2.gz	NOAGHYAOJVEFCJ-NSHDSACASA-N	-1	1	288.351	2.019	50	0		CEAAMM
O=C(Nc1ccncc1[O-])c1ncccc1C(F)(F)F	ZINC000097237540	364486559	/nfs/dbraw/zinc/48/65/59/364486559.db2.gz	MGSAMKMTAXMDSX-UHFFFAOYSA-N	-1	1	283.209	2.453	50	0		CEAAMM
O=c1c(Cc2ccccc2)c([O-])nc2n1CCCS2	ZINC000102878518	364616025	/nfs/dbraw/zinc/61/60/25/364616025.db2.gz	PEKKNRBKHPOOTB-UHFFFAOYSA-N	-1	1	274.345	2.036	50	0		CEAAMM
Cc1nc(SCc2cccc(N)n2)[n-]c(=O)c1C	ZINC000225450065	370295801	/nfs/dbraw/zinc/29/58/01/370295801.db2.gz	VNAPLOZQGOVIOH-UHFFFAOYSA-N	-1	1	262.338	2.069	50	0		CEAAMM
CC(=NNc1nc(C)cc(=O)[n-]1)c1cccc([N+](=O)[O-])c1	ZINC000252457506	371439370	/nfs/dbraw/zinc/43/93/70/371439370.db2.gz	NRMLIEPSPGCTBE-UHFFFAOYSA-N	-1	1	287.279	2.235	50	0		CEAAMM
C[C@H](NC(=O)c1ccccc1F)c1n[n-]c(=S)n1C	ZINC000004739069	170008423	/nfs/dbraw/zinc/00/84/23/170008423.db2.gz	IPPYELSJFPZNMY-ZETCQYMHSA-N	-1	1	280.328	2.108	50	0		CEAAMM
Cn1c(CCNC(=O)c2ccccc2Cl)n[n-]c1=S	ZINC000006557164	170213351	/nfs/dbraw/zinc/21/33/51/170213351.db2.gz	NOGQUKPWSULTNC-UHFFFAOYSA-N	-1	1	296.783	2.104	50	0		CEAAMM
O=c1ccnc(SC[C@@H]2CC2(Cl)Cl)[n-]1	ZINC000009143433	170364818	/nfs/dbraw/zinc/36/48/18/170364818.db2.gz	WMAVAQRIHKNFLZ-YFKPBYRVSA-N	-1	1	251.138	2.468	50	0		CEAAMM
O=c1[n-]c(SCc2ccc(F)cc2)nc2[nH]cnc21	ZINC000010003392	170394944	/nfs/dbraw/zinc/39/49/44/170394944.db2.gz	RUAIUVGHNUUWCI-UHFFFAOYSA-N	-1	1	276.296	2.490	50	0		CEAAMM
Cc1ccc([N-]S(=O)(=O)c2cccc(N)c2)cc1	ZINC000022216771	171375773	/nfs/dbraw/zinc/37/57/73/171375773.db2.gz	KRJUKEJXSNPJKL-UHFFFAOYSA-N	-1	1	262.334	2.378	50	0		CEAAMM
COc1ccc2c(c1)C(=C1SC(=S)[N-]C1=O)C(=O)N2	ZINC000001268339	277942264	/nfs/dbraw/zinc/94/22/64/277942264.db2.gz	UTIFPSGFLVZWBR-HJWRWDBZSA-N	-1	1	292.341	2.347	50	0		CEAAMM
CC1CCN(c2n[n-]c(=S)n2C[C@@H]2CCCO2)CC1	ZINC000012505161	278552232	/nfs/dbraw/zinc/55/22/32/278552232.db2.gz	DIUJAUGZVPKJPV-NSHDSACASA-N	-1	1	282.413	2.356	50	0		CEAAMM
Cc1cc(C(=O)[N-]c2nnc(C(F)(F)F)s2)no1	ZINC000001054506	280375551	/nfs/dbraw/zinc/37/55/51/280375551.db2.gz	DJUUHURIIACUIC-UHFFFAOYSA-N	-1	1	278.215	2.106	50	0		CEAAMM
COc1cc(Cl)cc(CN(C)C)c1O[C@@H](C)C(=O)[O-]	ZINC000215830310	294988065	/nfs/dbraw/zinc/98/80/65/294988065.db2.gz	AHVWCDZAEORNKF-QMMMGPOBSA-N	-1	1	287.743	2.262	50	0		CEAAMM
C[C@H]1Cc2ccccc2CN1C(=O)c1ncccc1[O-]	ZINC000189880654	321779306	/nfs/dbraw/zinc/77/93/06/321779306.db2.gz	KLBJVSMKYRESKK-NSHDSACASA-N	-1	1	268.316	2.374	50	0		CEAAMM
Cc1cnn([C@H](C)CNC(=O)c2ccc(F)c([O-])c2)c1	ZINC000534675220	328347241	/nfs/dbraw/zinc/34/72/41/328347241.db2.gz	VGNYBTIBPVHINL-SNVBAGLBSA-N	-1	1	277.299	2.027	50	0		CEAAMM
O=C(Nc1c([O-])cccc1F)c1cccc(-n2cccn2)n1	ZINC000096436576	329526274	/nfs/dbraw/zinc/52/62/74/329526274.db2.gz	VDLSHZJWFSXVEX-UHFFFAOYSA-N	-1	1	298.277	2.364	50	0		CEAAMM
C[C@H]1C[C@H](C(=O)NC(C)(C)c2nn[n-]n2)CC(C)(C)C1	ZINC000357356157	534107200	/nfs/dbraw/zinc/10/72/00/534107200.db2.gz	OEKORNIHSGDDBC-UWVGGRQHSA-N	-1	1	279.388	2.013	50	0		CEAAMM
C[C@@H](CN(C)C(=O)CC1(C)CCCCC1)c1nn[n-]n1	ZINC000124708048	365656941	/nfs/dbraw/zinc/65/69/41/365656941.db2.gz	MUUWUUCXNVEAAC-NSHDSACASA-N	-1	1	279.388	2.122	50	0		CEAAMM
O=C1[N-]C(=S)SC1=CNNc1ccccc1	ZINC000005774541	343355512	/nfs/dbraw/zinc/35/55/12/343355512.db2.gz	NTBALRCAWJJKEI-VURMDHGXSA-N	-1	1	251.336	2.433	50	0		CEAAMM
CC[C@@H](C)C[C@H](NC(=O)c1ccc([O-])c(F)c1)C(=O)OC	ZINC000585089808	539317028	/nfs/dbraw/zinc/31/70/28/539317028.db2.gz	FKSOZOMQLLZSTE-SKDRFNHKSA-N	-1	1	297.326	2.239	50	0		CEAAMM
CC[C@@H](NC(=O)c1c([O-])cccc1F)c1noc(C)n1	ZINC000127793719	344331559	/nfs/dbraw/zinc/33/15/59/344331559.db2.gz	XFCSQFCLLLHUPT-SECBINFHSA-N	-1	1	279.271	2.104	50	0		CEAAMM
O=C(Cc1ccc([O-])c(Cl)c1)N1CCC2(CCO2)CC1	ZINC000584904202	345004723	/nfs/dbraw/zinc/00/47/23/345004723.db2.gz	NUNWZARTEUITTF-UHFFFAOYSA-N	-1	1	295.766	2.370	50	0		CEAAMM
O=C(Nc1cnn(Cc2cccnc2)c1)c1ccccc1[O-]	ZINC000058230153	362614396	/nfs/dbraw/zinc/61/43/96/362614396.db2.gz	GKLICLZWFHKTGS-UHFFFAOYSA-N	-1	1	294.314	2.284	50	0		CEAAMM
CCCCCNC(=O)c1cnc(-c2ccccn2)[n-]c1=O	ZINC000091255158	180114730	/nfs/dbraw/zinc/11/47/30/180114730.db2.gz	MPKQKECZKJUCAG-UHFFFAOYSA-N	-1	1	286.335	2.164	50	0		CEAAMM
O=C(Nc1ccc2c(c1)OCCO2)c1ccccc1[O-]	ZINC000000319188	361161319	/nfs/dbraw/zinc/16/13/19/361161319.db2.gz	RNDHSGDNTWAUFW-UHFFFAOYSA-N	-1	1	271.272	2.416	50	0		CEAAMM
Cc1ccc(OCC(=O)c2c(O)cc([O-])cc2O)cc1	ZINC000003155631	361264559	/nfs/dbraw/zinc/26/45/59/361264559.db2.gz	CZZPUVNNGWNNBI-UHFFFAOYSA-N	-1	1	274.272	2.374	50	0		CEAAMM
O=c1c2ccccc2n2c([S-])nnc2n1-c1ccccc1	ZINC000003246000	361269516	/nfs/dbraw/zinc/26/95/16/361269516.db2.gz	BBOIHUVLVRRIDB-UHFFFAOYSA-N	-1	1	294.339	2.322	50	0		CEAAMM
C[C@H]1CN(C(=O)c2cc3ccccc3cc2[O-])CCO1	ZINC000011454925	361357685	/nfs/dbraw/zinc/35/76/85/361357685.db2.gz	VJUFXRKNNXLQRB-NSHDSACASA-N	-1	1	271.316	2.406	50	0		CEAAMM
NNc1nc2c(c(=O)[n-]1)C1(CCCCC1)Cc1ccccc1-2	ZINC000017113030	361504184	/nfs/dbraw/zinc/50/41/84/361504184.db2.gz	NNCFSJURJWWRPW-UHFFFAOYSA-N	-1	1	296.374	2.481	50	0		CEAAMM
COc1ccc2c(C)nc(Nc3nc(C)cc(=O)[n-]3)nc2c1	ZINC000018142679	361515058	/nfs/dbraw/zinc/51/50/58/361515058.db2.gz	JGBVKLZKXUSJRA-UHFFFAOYSA-N	-1	1	297.318	2.082	50	0		CEAAMM
CCC[C@@H](NC(=O)c1cc(C)c(F)cc1F)c1nn[n-]n1	ZINC000089949621	364022544	/nfs/dbraw/zinc/02/25/44/364022544.db2.gz	FGWTWGGLHOSFJV-LLVKDONJSA-N	-1	1	295.293	2.058	50	0		CEAAMM
C[C@]1(C(=O)[O-])CCN(C(=O)c2cc(-c3ccccc3)[nH]n2)C1	ZINC000237655627	370743049	/nfs/dbraw/zinc/74/30/49/370743049.db2.gz	IPGNVKPNCPWQGM-INIZCTEOSA-N	-1	1	299.330	2.014	50	0		CEAAMM
C[C@H](C(=O)OC(C)(C)C)N(C)C(=O)c1cc(F)ccc1[O-]	ZINC000175268587	368120058	/nfs/dbraw/zinc/12/00/58/368120058.db2.gz	YTQGOSLOGDTILX-SECBINFHSA-N	-1	1	297.326	2.334	50	0		CEAAMM
CCCCn1c(CCn2cc(C)cn2)n[n-]c1=S	ZINC000007262096	170273883	/nfs/dbraw/zinc/27/38/83/170273883.db2.gz	LIMYTLGVCISJQM-UHFFFAOYSA-N	-1	1	265.386	2.488	50	0		CEAAMM
O=c1[n-]c(=S)[nH]c2c1CC[C@@H](c1ccccc1)O2	ZINC000008742562	170353347	/nfs/dbraw/zinc/35/33/47/170353347.db2.gz	UULUIOIAGJRHQI-JTQLQIEISA-N	-1	1	260.318	2.499	50	0		CEAAMM
Cc1cc(C(=O)N[C@@H](C)c2nn[n-]n2)c(-c2ccccc2)o1	ZINC000020996292	171284030	/nfs/dbraw/zinc/28/40/30/171284030.db2.gz	LSLKPUKNOWMHNO-JTQLQIEISA-N	-1	1	297.318	2.259	50	0		CEAAMM
CCn1c(=S)[n-]nc1C1CCN(C(=O)[C@H]2C[C@@H]2C)CC1	ZINC000068453905	175809441	/nfs/dbraw/zinc/80/94/41/175809441.db2.gz	JFHCGVVYKPNICA-ONGXEEELSA-N	-1	1	294.424	2.323	50	0		CEAAMM
O=C([O-])C1(Cc2ccccc2)CCN(Cc2c[nH]cn2)CC1	ZINC000071763625	176261651	/nfs/dbraw/zinc/26/16/51/176261651.db2.gz	KXOZWABZCYYNMU-UHFFFAOYSA-N	-1	1	299.374	2.319	50	0		CEAAMM
Cc1cc(C(=O)[N-]c2nnc(-c3cccs3)o2)no1	ZINC000009204591	278656059	/nfs/dbraw/zinc/65/60/59/278656059.db2.gz	KLGLLJPIHADRRO-UHFFFAOYSA-N	-1	1	276.277	2.347	50	0		CEAAMM
Cc1sc2[n-]c(-c3ncccn3)nc(=O)c2c1C	ZINC000048622796	294079650	/nfs/dbraw/zinc/07/96/50/294079650.db2.gz	YVWSEJBXCHVMHL-UHFFFAOYSA-N	-1	1	258.306	2.058	50	0		CEAAMM
O=C([O-])c1cc2n(n1)CCN(CCCc1ccccc1)C2	ZINC000065399063	811121401	/nfs/dbraw/zinc/12/14/01/811121401.db2.gz	GZBIYIWWANSINS-UHFFFAOYSA-N	-1	1	285.347	2.030	50	0		CEAAMM
CC(C)(C)OC(=O)NCC(=O)c1ccc([O-])cc1	ZINC000095643264	185017287	/nfs/dbraw/zinc/01/72/87/185017287.db2.gz	QRPZZZVSPYYAOS-UHFFFAOYSA-N	-1	1	251.282	2.100	50	0		CEAAMM
Cc1ccc(C)c(NC(=O)CN(CCC(=O)[O-])C2CC2)c1	ZINC000037594261	361908543	/nfs/dbraw/zinc/90/85/43/361908543.db2.gz	BHUHXTJFMRPWRD-UHFFFAOYSA-N	-1	1	290.363	2.181	50	0		CEAAMM
CC(C)c1noc([C@@H](C)S(=O)(=O)c2ccc([O-])cc2)n1	ZINC000049488939	362368509	/nfs/dbraw/zinc/36/85/09/362368509.db2.gz	DEPSZPLJALSYCI-SECBINFHSA-N	-1	1	296.348	2.434	50	0		CEAAMM
O=C(NC1(C(F)F)CC1)c1ncc2ccccc2c1[O-]	ZINC000614496549	348209225	/nfs/dbraw/zinc/20/92/25/348209225.db2.gz	WVWCVJURWCXCNB-UHFFFAOYSA-N	-1	1	278.258	2.468	50	0		CEAAMM
Cc1cccc2c1nc(COCC(=O)[O-])n2-c1ccncc1	ZINC000067804408	362925956	/nfs/dbraw/zinc/92/59/56/362925956.db2.gz	VAGBLSWRHKTXCO-UHFFFAOYSA-N	-1	1	297.314	2.330	50	0		CEAAMM
CC(=O)N1CCC(c2n[n-]c(=S)n2C(C)C)CC1	ZINC000068447156	362941976	/nfs/dbraw/zinc/94/19/76/362941976.db2.gz	QKCHSPXLPDPPRN-UHFFFAOYSA-N	-1	1	268.386	2.247	50	0		CEAAMM
CSC[C@H]1CCCN1C(=O)c1cc(F)ccc1[O-]	ZINC000271520913	191188807	/nfs/dbraw/zinc/18/88/07/191188807.db2.gz	WRKMDFUJUSAWBW-SNVBAGLBSA-N	-1	1	269.341	2.499	50	0		CEAAMM
CCC[C@@H]1SCCN1C(=O)c1ncccc1[O-]	ZINC000153831974	188106635	/nfs/dbraw/zinc/10/66/35/188106635.db2.gz	XSAAYZJQVYHZCM-JTQLQIEISA-N	-1	1	252.339	2.102	50	0		CEAAMM
Cc1cc(=O)n(-c2ccc(-c3csnn3)cc2)[n-]1	ZINC000000106552	361129274	/nfs/dbraw/zinc/12/92/74/361129274.db2.gz	DVPZKKTYXVRNFN-UHFFFAOYSA-N	-1	1	258.306	2.318	50	0		CEAAMM
CCOC(=O)NC(=S)[N-]c1ccc(F)cc1F	ZINC000000172812	361139857	/nfs/dbraw/zinc/13/98/57/361139857.db2.gz	VLOKSUFOBJPLMV-UHFFFAOYSA-N	-1	1	260.265	2.408	50	0		CEAAMM
CCC(=O)c1c([O-])n(CCC2=CCCCC2)c(=O)[nH]c1=O	ZINC000001272541	361199899	/nfs/dbraw/zinc/19/98/99/361199899.db2.gz	MQGBPMIBZCMESU-UHFFFAOYSA-N	-1	1	292.335	2.138	50	0		CEAAMM
O=C([O-])[C@@H]1CCCN(Cc2cc(F)ccc2F)C1	ZINC000003749786	361290225	/nfs/dbraw/zinc/29/02/25/361290225.db2.gz	UFJGEQZNZNSUOS-SECBINFHSA-N	-1	1	255.264	2.261	50	0		CEAAMM
Cc1ccc([C@@H](CC(=O)[O-])NC(=O)C(F)(F)F)cc1	ZINC000004050712	361298523	/nfs/dbraw/zinc/29/85/23/361298523.db2.gz	JWJQZMWJJAIQBA-SECBINFHSA-N	-1	1	275.226	2.189	50	0		CEAAMM
CC(C)CCn1c2nnc([S-])n2c2ccccc2c1=O	ZINC000005858788	361335567	/nfs/dbraw/zinc/33/55/67/361335567.db2.gz	CDNKKHCCJLPULM-UHFFFAOYSA-N	-1	1	288.376	2.379	50	0		CEAAMM
S=c1[n-]nc(N2CCCC2)n1Cc1ccco1	ZINC000012505184	361386994	/nfs/dbraw/zinc/38/69/94/361386994.db2.gz	UUNYWGLLTBMZJH-UHFFFAOYSA-N	-1	1	250.327	2.182	50	0		CEAAMM
COc1ccc(C(=O)Nc2nnc(C3CC3)s2)c([O-])c1	ZINC000012740476	361397741	/nfs/dbraw/zinc/39/77/41/361397741.db2.gz	IERIVDVZYUPXNE-UHFFFAOYSA-N	-1	1	291.332	2.382	50	0		CEAAMM
CCC[C@@H](NC(=O)c1cc2c(s1)CCC2)c1nn[n-]n1	ZINC000095287758	364341875	/nfs/dbraw/zinc/34/18/75/364341875.db2.gz	LYYYNHVFJNTXID-SECBINFHSA-N	-1	1	291.380	2.021	50	0		CEAAMM
Cc1nn(C)cc1C(C)N=Nc1ccccc1C(=O)[O-]	ZINC000252675852	371468234	/nfs/dbraw/zinc/46/82/34/371468234.db2.gz	VGTUWLNVRNPPBO-UHFFFAOYSA-N	-1	1	272.308	2.263	50	0		CEAAMM
C=CCc1cccc(C=C2SC(=O)[N-]C2=O)c1O	ZINC000001512403	169711194	/nfs/dbraw/zinc/71/11/94/169711194.db2.gz	UICSNKSTDMTPSW-YFHOEESVSA-N	-1	1	261.302	2.445	50	0		CEAAMM
CCCc1cc(=O)[n-]c(Nc2ccc(C)c(O)c2)n1	ZINC000005009211	170054633	/nfs/dbraw/zinc/05/46/33/170054633.db2.gz	FCRSIKBKMIZIDC-UHFFFAOYSA-N	-1	1	259.309	2.480	50	0		CEAAMM
O=c1[n-]c(=S)c2c(n1Cc1ccccn1)CCCC2	ZINC000008737621	170353023	/nfs/dbraw/zinc/35/30/23/170353023.db2.gz	MSZAYLLJHFDSCA-UHFFFAOYSA-N	-1	1	273.361	2.228	50	0		CEAAMM
CCOC(=O)c1c[n-]n(-c2nc3ccccc3s2)c1=O	ZINC000009481854	170378451	/nfs/dbraw/zinc/37/84/51/170378451.db2.gz	RKIJQXBDIJKQIG-UHFFFAOYSA-N	-1	1	289.316	2.364	50	0		CEAAMM
O=C(Nc1n[n-]c(C(F)(F)F)n1)c1ccc(F)cc1	ZINC000009580957	170381790	/nfs/dbraw/zinc/38/17/90/170381790.db2.gz	BZVUMHLWPRVHHX-UHFFFAOYSA-N	-1	1	274.177	2.215	50	0		CEAAMM
O=C([O-])[C@H]1CCCN(Cc2nc(-c3ccccc3)no2)C1	ZINC000035297207	172110785	/nfs/dbraw/zinc/11/07/85/172110785.db2.gz	PVWNANBVZZKTNU-LBPRGKRZSA-N	-1	1	287.319	2.033	50	0		CEAAMM
CCC[C@H](Nc1nc2[nH][n-]cc-2c(=O)n1)C1CCCC1	ZINC000665740464	419419792	/nfs/dbraw/zinc/41/97/92/419419792.db2.gz	JLPQHHCLNUHPTI-NSHDSACASA-N	-1	1	275.356	2.203	50	0		CEAAMM
CC(=O)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1	ZINC000225444830	278193233	/nfs/dbraw/zinc/19/32/33/278193233.db2.gz	SXSIXIRNOWRYPK-UHFFFAOYSA-N	-1	1	276.336	2.413	50	0		CEAAMM
Cc1cc(F)cc(S(=O)(=O)[N-]c2ncccc2F)c1	ZINC000095994107	279714024	/nfs/dbraw/zinc/71/40/24/279714024.db2.gz	FTLKTZXKUJRTRR-UHFFFAOYSA-N	-1	1	284.287	2.469	50	0		CEAAMM
O=c1nc(-c2ccon2)[n-]c2sc3c(c21)CCSC3	ZINC000074797477	280385583	/nfs/dbraw/zinc/38/55/83/280385583.db2.gz	ZDCJUHSFAMBNDR-UHFFFAOYSA-N	-1	1	291.357	2.429	50	0		CEAAMM
O=C([O-])[C@@H]1C[C@@H]1C(=O)Nc1ccc2nc(C3CCC3)[nH]c2c1	ZINC000097017715	230386509	/nfs/dbraw/zinc/38/65/09/230386509.db2.gz	LZONXEDZYIRYCM-WDEREUQCSA-N	-1	1	299.330	2.490	50	0		CEAAMM
O=S(=O)(Cc1ccc(Cl)cc1Cl)c1c[n-]nn1	ZINC000084343510	539504384	/nfs/dbraw/zinc/50/43/84/539504384.db2.gz	BNXBQXMIKNUNHY-UHFFFAOYSA-N	-1	1	292.147	2.085	50	0		CEAAMM
O=S(=O)(Cc1ccc(Cl)cc1Cl)c1cn[n-]n1	ZINC000084343510	539504388	/nfs/dbraw/zinc/50/43/88/539504388.db2.gz	BNXBQXMIKNUNHY-UHFFFAOYSA-N	-1	1	292.147	2.085	50	0		CEAAMM
CCc1c(C)sc2ncnc(N[C@@H](C)c3nn[n-]n3)c12	ZINC000065436191	362822991	/nfs/dbraw/zinc/82/29/91/362822991.db2.gz	NXFWWWIWWURTSJ-LURJTMIESA-N	-1	1	289.368	2.248	50	0		CEAAMM
COC(=O)C[C@@H](c1c(C)[n-][nH]c1=O)c1cccc(OC)c1	ZINC000079473548	363605810	/nfs/dbraw/zinc/60/58/10/363605810.db2.gz	MTYPBQIWFGFIMU-GFCCVEGCSA-N	-1	1	290.319	2.127	50	0		CEAAMM
Cc1ccc(NC(=O)CSCc2cc(=O)[nH][n-]2)cc1	ZINC000002876778	361256400	/nfs/dbraw/zinc/25/64/00/361256400.db2.gz	UZDVIBUMRPIYPE-UHFFFAOYSA-N	-1	1	277.349	2.296	50	0		CEAAMM
COc1ccc(-c2nc(-c3ccc(C)nn3)no2)c([O-])c1	ZINC000082161860	363751625	/nfs/dbraw/zinc/75/16/25/363751625.db2.gz	ONKGDPWUNPQKBU-UHFFFAOYSA-N	-1	1	284.275	2.216	50	0		CEAAMM
Cc1ccccc1CSc1nc(C)c(CCO)c(=O)[n-]1	ZINC000011905778	361368977	/nfs/dbraw/zinc/36/89/77/361368977.db2.gz	OWIXTPCIKLSCEH-UHFFFAOYSA-N	-1	1	290.388	2.214	50	0		CEAAMM
O=C1[N-]C(=O)C(=Cc2cnn(-c3ccccc3)c2)S1	ZINC000096920789	364427675	/nfs/dbraw/zinc/42/76/75/364427675.db2.gz	PFMQZZZMHKZFIY-WDZFZDKYSA-N	-1	1	271.301	2.196	50	0		CEAAMM
O=C(N[C@H](c1nccs1)C1CC1)c1ncccc1[O-]	ZINC000097377895	364496655	/nfs/dbraw/zinc/49/66/55/364496655.db2.gz	DORPACYIFBFMMI-JTQLQIEISA-N	-1	1	275.333	2.125	50	0		CEAAMM
Cc1cc(=O)n(-c2cc(C)nc(-c3ccccc3O)n2)[n-]1	ZINC000103804532	364669473	/nfs/dbraw/zinc/66/94/73/364669473.db2.gz	SRZOLSXFTPEARE-UHFFFAOYSA-N	-1	1	282.303	2.357	50	0		CEAAMM
COCCN(C(=O)c1cncc([O-])c1)[C@H]1CC[C@H](C)C1	ZINC000330623843	203051704	/nfs/dbraw/zinc/05/17/04/203051704.db2.gz	QDFMHCQIUDVFBZ-AAEUAGOBSA-N	-1	1	278.352	2.064	50	0		CEAAMM
CN(Cc1ccccc1OCC(=O)[O-])C[C@@H]1CCCCO1	ZINC000216544813	370190013	/nfs/dbraw/zinc/19/00/13/370190013.db2.gz	QMKQEAVPTUDFKS-AWEZNQCLSA-N	-1	1	293.363	2.151	50	0		CEAAMM
Cc1nc(CCNC(=O)c2c(F)ccc([O-])c2F)cs1	ZINC000225502276	370299201	/nfs/dbraw/zinc/29/92/01/370299201.db2.gz	OQNVKLJLWSZYRM-UHFFFAOYSA-N	-1	1	298.314	2.408	50	0		CEAAMM
CC[C@@]1(C)COCCN1Cc1cccc(C(=O)[O-])c1	ZINC000263424357	154084162	/nfs/dbraw/zinc/08/41/62/154084162.db2.gz	PZXQAWRYAZHFSP-HNNXBMFYSA-N	-1	1	263.337	2.386	50	0		CEAAMM
Cc1[nH]n(-c2cccc(Cl)c2)c(=O)c1CC(=O)[O-]	ZINC000004999816	170052549	/nfs/dbraw/zinc/05/25/49/170052549.db2.gz	AHUSXBQUAIXSFN-UHFFFAOYSA-N	-1	1	266.684	2.167	50	0		CEAAMM
Cc1ccc(OCCSc2nccc(=O)[n-]2)cc1	ZINC000005009485	170054747	/nfs/dbraw/zinc/05/47/47/170054747.db2.gz	ICEXPOHKHQSVIZ-UHFFFAOYSA-N	-1	1	262.334	2.249	50	0		CEAAMM
COc1ccc(-c2n[nH]c(SCCC(=O)[O-])n2)cc1	ZINC000006009112	170168083	/nfs/dbraw/zinc/16/80/83/170168083.db2.gz	GAGKCGLUCKKGQW-UHFFFAOYSA-N	-1	1	279.321	2.047	50	0		CEAAMM
CC(C)Nc1nc(-c2ccc([O-])c(C(N)=O)c2)cs1	ZINC000007763176	170301132	/nfs/dbraw/zinc/30/11/32/170301132.db2.gz	STUZQUDAMWCRJU-UHFFFAOYSA-N	-1	1	277.349	2.435	50	0		CEAAMM
O=C(Nc1ccc(N2CCNC2=O)cc1)c1ccccc1[O-]	ZINC000040024976	174183594	/nfs/dbraw/zinc/18/35/94/174183594.db2.gz	IETHACMDJFJZBX-UHFFFAOYSA-N	-1	1	297.314	2.174	50	0		CEAAMM
Cc1cc(C(=O)[N-]c2nnc(-c3ccccc3)o2)no1	ZINC000009204606	278655809	/nfs/dbraw/zinc/65/58/09/278655809.db2.gz	MTTGOFBHBJUVFV-UHFFFAOYSA-N	-1	1	270.248	2.285	50	0		CEAAMM
Cc1cnc(CNC(=O)c2ccc(Cl)cc2[O-])o1	ZINC000096449949	230375590	/nfs/dbraw/zinc/37/55/90/230375590.db2.gz	ZWWOVHZTMODZAQ-UHFFFAOYSA-N	-1	1	266.684	2.272	50	0		CEAAMM
C[C@H]1CN(CCC(=O)[O-])Cc2cc(Cl)ccc2O1	ZINC000032919489	361766402	/nfs/dbraw/zinc/76/64/02/361766402.db2.gz	MDIQVARUQDEDGU-VIFPVBQESA-N	-1	1	269.728	2.398	50	0		CEAAMM
CCOCC1CCN(C(=O)c2ccc(F)c([O-])c2)CC1	ZINC000223786233	539296670	/nfs/dbraw/zinc/29/66/70/539296670.db2.gz	ZFSJSFLRSJARMF-UHFFFAOYSA-N	-1	1	281.327	2.420	50	0		CEAAMM
O=C([O-])[C@@H]1CCN(Cc2cc(Cl)c3c(c2)OCCO3)C1	ZINC000062133799	362710106	/nfs/dbraw/zinc/71/01/06/362710106.db2.gz	MZKQYNAIDOLKLA-SNVBAGLBSA-N	-1	1	297.738	2.018	50	0		CEAAMM
Cc1nc[nH]c1-c1nccn1[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000071775890	363113748	/nfs/dbraw/zinc/11/37/48/363113748.db2.gz	HADSHKFZUFWJHP-ZDUSSCGKSA-N	-1	1	296.330	2.450	50	0		CEAAMM
C[C@@H]1CN(C(=O)c2ncccc2[O-])[C@@H]2CCCC[C@@H]21	ZINC000153201078	188070186	/nfs/dbraw/zinc/07/01/86/188070186.db2.gz	WZSPPLGBRHSIDF-IJLUTSLNSA-N	-1	1	260.337	2.438	50	0		CEAAMM
Cc1n[nH]cc1CN(C)Cc1cccc(C(=O)[O-])c1	ZINC000216401674	538882988	/nfs/dbraw/zinc/88/29/88/538882988.db2.gz	KNZRCHPNEOHLBZ-UHFFFAOYSA-N	-1	1	259.309	2.048	50	0		CEAAMM
COc1cccc([N-]S(=O)(=O)c2ccccc2)c1	ZINC000000261102	361152911	/nfs/dbraw/zinc/15/29/11/361152911.db2.gz	PIGMPCQZRHHQIE-UHFFFAOYSA-N	-1	1	263.318	2.496	50	0		CEAAMM
CC[C@@H](C)c1ccc(-n2c(O)cc(=O)[n-]c2=S)cc1	ZINC000000448881	361176131	/nfs/dbraw/zinc/17/61/31/361176131.db2.gz	VOARQPWPCUHIEE-SECBINFHSA-N	-1	1	276.361	2.338	50	0		CEAAMM
Cc1ccccc1[N-]S(=O)(=O)c1cccc(N)c1	ZINC000019388607	361530168	/nfs/dbraw/zinc/53/01/68/361530168.db2.gz	LQRNHCFDZCRUDR-UHFFFAOYSA-N	-1	1	262.334	2.378	50	0		CEAAMM
O=C(Nc1nnn[n-]1)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl	ZINC000089768390	363999434	/nfs/dbraw/zinc/99/94/34/363999434.db2.gz	GWKZPBBIGROEFZ-JGVFFNPUSA-N	-1	1	298.133	2.249	50	0		CEAAMM
O=C(Nc1nn[n-]n1)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl	ZINC000089768390	363999439	/nfs/dbraw/zinc/99/94/39/363999439.db2.gz	GWKZPBBIGROEFZ-JGVFFNPUSA-N	-1	1	298.133	2.249	50	0		CEAAMM
Cc1[nH]nc([N-]S(C)(=O)=O)c1-c1cccc(Cl)c1	ZINC000097098345	364449805	/nfs/dbraw/zinc/44/98/05/364449805.db2.gz	MYTXVIOQYNAPBJ-UHFFFAOYSA-N	-1	1	285.756	2.410	50	0		CEAAMM
O=C(c1cnc(C2CC2)[n-]c1=O)N1CCCCCCC1	ZINC000097660609	364514262	/nfs/dbraw/zinc/51/42/62/364514262.db2.gz	KUPFYVXURBLGGE-UHFFFAOYSA-N	-1	1	275.352	2.054	50	0		CEAAMM
O=C([O-])c1cc(=O)[nH]c2c1CN(Cc1ccccc1)CC2	ZINC000526059791	379697338	/nfs/dbraw/zinc/69/73/38/379697338.db2.gz	FTOHIXAAWNXHRM-UHFFFAOYSA-N	-1	1	284.315	2.044	50	0		CEAAMM
CC[C@@H]1OCC[C@H]1[N-]S(=O)(=O)c1sccc1Cl	ZINC000333922000	380182282	/nfs/dbraw/zinc/18/22/82/380182282.db2.gz	RADRXDZOLDLNJG-BDAKNGLRSA-N	-1	1	295.813	2.247	50	0		CEAAMM
N=C1NC(=O)/C(=C/c2ccc([O-])c(Br)c2)S1	ZINC000006219919	394459255	/nfs/dbraw/zinc/45/92/55/394459255.db2.gz	HNYSUYXTAHGZBN-YWEYNIOJSA-N	-1	1	299.149	2.293	50	0		CEAAMM
CC[C@H]1c2cccn2CCN1C(=O)c1cccc2nn[nH]c21	ZINC000225481480	394469283	/nfs/dbraw/zinc/46/92/83/394469283.db2.gz	SRZKFJKCYDGBCD-ZDUSSCGKSA-N	-1	1	295.346	2.367	50	0		CEAAMM
O=C(CSc1nccc(=O)[n-]1)NC1CCCCCC1	ZINC000004864659	170033012	/nfs/dbraw/zinc/03/30/12/170033012.db2.gz	NDSVKNDMXOPUSH-UHFFFAOYSA-N	-1	1	281.381	2.113	50	0		CEAAMM
Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1ccc(C)cc1F	ZINC000007708636	170298482	/nfs/dbraw/zinc/29/84/82/170298482.db2.gz	VXGJUNZZTLIGMF-UHFFFAOYSA-N	-1	1	297.355	2.285	50	0		CEAAMM
Cc1cc(C)n(CCc2n[n-]c(=S)n2C2CC2)n1	ZINC000008549356	170339698	/nfs/dbraw/zinc/33/96/98/170339698.db2.gz	OFPVMYBLYBKDQI-UHFFFAOYSA-N	-1	1	263.370	2.332	50	0		CEAAMM
Nc1cc(=O)[n-]c(SCc2ccccc2Cl)n1	ZINC000009059285	170362626	/nfs/dbraw/zinc/36/26/26/170362626.db2.gz	SBJPKGCAELSHAV-UHFFFAOYSA-N	-1	1	267.741	2.298	50	0		CEAAMM
COc1cc2nc(-c3cccnc3)[n-]c(=O)c2cc1OC	ZINC000069442566	260261098	/nfs/dbraw/zinc/26/10/98/260261098.db2.gz	AVSOXOZVUVRKGW-UHFFFAOYSA-N	-1	1	283.287	2.002	50	0		CEAAMM
Cn1ccnc1CN[C@@H](c1ccccc1)C(C)(C)C(=O)[O-]	ZINC000833058990	604629348	/nfs/dbraw/zinc/62/93/48/604629348.db2.gz	SVNZZYUKWXUOGT-AWEZNQCLSA-N	-1	1	287.363	2.362	50	0		CEAAMM
O=C(c1ncccc1[O-])N1C[C@H]2[C@@H](C1)C1CCC2CC1	ZINC000071771276	813253946	/nfs/dbraw/zinc/25/39/46/813253946.db2.gz	SKVVMIXBQSQMOX-BPNZPQAUSA-N	-1	1	272.348	2.295	50	0		CEAAMM
C[C@@H]1CCCC[C@@H]1NC(=O)c1nc2ccccc2c(=O)[n-]1	ZINC000040497824	361994737	/nfs/dbraw/zinc/99/47/37/361994737.db2.gz	RECSOVMQLPVQRA-PWSUYJOCSA-N	-1	1	285.347	2.232	50	0		CEAAMM
Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc(C)c1	ZINC000055311054	362549077	/nfs/dbraw/zinc/54/90/77/362549077.db2.gz	MTMIJQXWZOKKMA-UHFFFAOYSA-N	-1	1	295.316	2.395	50	0		CEAAMM
CCc1cc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)[nH]n1	ZINC000083820335	539475714	/nfs/dbraw/zinc/47/57/14/539475714.db2.gz	YNJAYOHPSGVHSO-UHFFFAOYSA-N	-1	1	291.376	2.262	50	0		CEAAMM
CO[C@@]1(C)C[C@H](N(C)C(=O)c2ncccc2[O-])C1(C)C	ZINC000128711077	187385729	/nfs/dbraw/zinc/38/57/29/187385729.db2.gz	KFLPQKHHWNBPRR-NHYWBVRUSA-N	-1	1	278.352	2.063	50	0		CEAAMM
O=C(CN1Cc2ccccc2C1)Nc1c([O-])cccc1F	ZINC000084582084	540128561	/nfs/dbraw/zinc/12/85/61/540128561.db2.gz	CYSMUCZYXJDZHX-UHFFFAOYSA-N	-1	1	286.306	2.486	50	0		CEAAMM
Cc1ccc(S(=O)(=O)[N-]c2ccccc2CO)cc1	ZINC000000401231	361170768	/nfs/dbraw/zinc/17/07/68/361170768.db2.gz	VRPNCJQOSSNTOR-UHFFFAOYSA-N	-1	1	277.345	2.288	50	0		CEAAMM
O=C(Nc1ccncc1)c1cc2ccc([O-])cc2oc1=O	ZINC000000418555	361172568	/nfs/dbraw/zinc/17/25/68/361172568.db2.gz	YLWIWQOETHVUGC-UHFFFAOYSA-N	-1	1	282.255	2.146	50	0		CEAAMM
Cc1nc2[n-]cnn2c(=O)c1Cc1ccccc1Cl	ZINC000009306640	361345894	/nfs/dbraw/zinc/34/58/94/361345894.db2.gz	YMLRVLINVUASOO-UHFFFAOYSA-N	-1	1	274.711	2.383	50	0		CEAAMM
CN1c2ccccc2C(=C2SC(=S)[N-]C2=O)C1=O	ZINC000013809724	361442157	/nfs/dbraw/zinc/44/21/57/361442157.db2.gz	XPHFDNNTJJRKTK-HJWRWDBZSA-N	-1	1	276.342	2.362	50	0		CEAAMM
Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1C[C@@H]2CCC[C@@H]2C1	ZINC000089499534	363973739	/nfs/dbraw/zinc/97/37/39/363973739.db2.gz	MUGOYTKCOVGFDA-TXEJJXNPSA-N	-1	1	289.379	2.074	50	0		CEAAMM
Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1C[C@H]2CCC[C@@H]2C1	ZINC000089499536	363974160	/nfs/dbraw/zinc/97/41/60/363974160.db2.gz	MUGOYTKCOVGFDA-VXGBXAGGSA-N	-1	1	289.379	2.074	50	0		CEAAMM
Cc1c(NC(=O)c2cncc([O-])c2)cccc1N(C)C	ZINC000095988489	364396701	/nfs/dbraw/zinc/39/67/01/364396701.db2.gz	ZPHYIASBXCJUCZ-UHFFFAOYSA-N	-1	1	271.320	2.414	50	0		CEAAMM
CCO[P@@]1(=O)[N-]C(=O)N(c2ccccc2)N=C1C(C)=O	ZINC000104502828	364697108	/nfs/dbraw/zinc/69/71/08/364697108.db2.gz	FYSICJCKJUWQIJ-HXUWFJFHSA-N	-1	1	295.235	2.348	50	0		CEAAMM
CC(C)(C)c1nc(S(=O)(=O)Cc2ccccc2F)n[n-]1	ZINC000195173990	370110602	/nfs/dbraw/zinc/11/06/02/370110602.db2.gz	DFLJSQWHPQDHHK-UHFFFAOYSA-N	-1	1	297.355	2.215	50	0		CEAAMM
O=C(NC[C@H]1CCCOC1)c1ncc2ccccc2c1[O-]	ZINC000408523934	375511316	/nfs/dbraw/zinc/51/13/16/375511316.db2.gz	WENBODLFIOUZKM-LLVKDONJSA-N	-1	1	286.331	2.097	50	0		CEAAMM
Cc1nsc([N-]C(=O)c2cc(C(C)(C)C)on2)n1	ZINC000266412039	190255832	/nfs/dbraw/zinc/25/58/32/190255832.db2.gz	MSQOKBGXUFNHKQ-UHFFFAOYSA-N	-1	1	266.326	2.384	50	0		CEAAMM
CCCc1nc(C)c(C(=O)Nc2c[n-][nH]c2=O)s1	ZINC000521394342	379526687	/nfs/dbraw/zinc/52/66/87/379526687.db2.gz	BKBJNPFFWMSHRC-UHFFFAOYSA-N	-1	1	266.326	2.085	50	0		CEAAMM
O=c1[n-]c(N2CCc3ccccc3C2)nc2c1CCCC2	ZINC000008584518	285196068	/nfs/dbraw/zinc/19/60/68/285196068.db2.gz	ZYYHJCXGYKACBW-UHFFFAOYSA-N	-1	1	281.359	2.211	50	0		CEAAMM
CCCc1cc(=O)[n-]c(Nc2ccc(O)cc2C)n1	ZINC000005009210	170054794	/nfs/dbraw/zinc/05/47/94/170054794.db2.gz	RWYCVNWSCOSUEQ-UHFFFAOYSA-N	-1	1	259.309	2.480	50	0		CEAAMM
CCN1C(=O)C(=Cc2ccc([O-])c(Cl)c2)NC1=S	ZINC000006178416	170180663	/nfs/dbraw/zinc/18/06/63/170180663.db2.gz	AMFFKBNOCCNKSL-TWGQIWQCSA-N	-1	1	282.752	2.123	50	0		CEAAMM
O=c1cc(O)nc(SCc2cccc(Cl)c2)[n-]1	ZINC000017086433	170725183	/nfs/dbraw/zinc/72/51/83/170725183.db2.gz	ITPACTBDCVXRSG-UHFFFAOYSA-N	-1	1	268.725	2.421	50	0		CEAAMM
CNC(=O)c1ccc(C=C2SC(=S)[N-]C2=O)cc1	ZINC000071850435	176276671	/nfs/dbraw/zinc/27/66/71/176276671.db2.gz	GZNSHHRRMREIQH-TWGQIWQCSA-N	-1	1	278.358	2.375	50	0		CEAAMM
O=C(c1ncccc1[O-])N1CCS[C@@H]2CCCC[C@@H]21	ZINC000097102411	280242830	/nfs/dbraw/zinc/24/28/30/280242830.db2.gz	WSHQTTULAVNGNE-CMPLNLGQSA-N	-1	1	278.377	2.287	50	0		CEAAMM
CO[C@H]1CCCC[C@H]1NC(=O)c1c([O-])cccc1F	ZINC000126540494	187246348	/nfs/dbraw/zinc/24/63/48/187246348.db2.gz	FQKNMTRPGOLCRP-PWSUYJOCSA-N	-1	1	267.300	2.219	50	0		CEAAMM
O=C1c2cccc([O-])c2C(=O)N1Cc1ccccc1	ZINC000071780655	343801837	/nfs/dbraw/zinc/80/18/37/343801837.db2.gz	LSJDIDLQTWIFLE-UHFFFAOYSA-N	-1	1	253.257	2.188	50	0		CEAAMM
CC(C)c1n[n-]c(=S)n1CCNC(=O)c1ccoc1	ZINC000075400816	343851173	/nfs/dbraw/zinc/85/11/73/343851173.db2.gz	PTSQYUQAAJBNQN-UHFFFAOYSA-N	-1	1	280.353	2.087	50	0		CEAAMM
O=C(NCc1ccc(F)c(CO)c1)c1ccc([O-])cc1F	ZINC000165305235	344474424	/nfs/dbraw/zinc/47/44/24/344474424.db2.gz	LWJNASCOQRPFRI-UHFFFAOYSA-N	-1	1	293.269	2.093	50	0		CEAAMM
S=c1[n-]nc2c3cc(-c4ccccc4)nn3ccn12	ZINC000057352207	362578636	/nfs/dbraw/zinc/57/86/36/362578636.db2.gz	XBSYURAJKJUXOY-UHFFFAOYSA-N	-1	1	267.317	2.333	50	0		CEAAMM
C[C@H]1C[C@@H]1C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1	ZINC000057554154	362585868	/nfs/dbraw/zinc/58/58/68/362585868.db2.gz	OQABZHWKQVORCH-NHYWBVRUSA-N	-1	1	287.359	2.470	50	0		CEAAMM
CCCc1cc(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)n[nH]1	ZINC000236898400	370649901	/nfs/dbraw/zinc/64/99/01/370649901.db2.gz	BQWLDUAWLSDVSK-LLVKDONJSA-N	-1	1	293.367	2.079	50	0		CEAAMM
Cc1cc(Cl)ccc1C(=O)N(C)C[C@H](C)c1nn[n-]n1	ZINC000124151496	187124620	/nfs/dbraw/zinc/12/46/20/187124620.db2.gz	STVNFTNCVIZQSB-VIFPVBQESA-N	-1	1	293.758	2.037	50	0		CEAAMM
O=C(Nc1c([O-])cccc1F)[C@@H](O)c1ccccc1	ZINC000092551211	539826937	/nfs/dbraw/zinc/82/69/37/539826937.db2.gz	YJSCMVADLOUUIS-ZDUSSCGKSA-N	-1	1	261.252	2.203	50	0		CEAAMM
O=C(Cc1nncn1-c1ccccc1)c1ccc([O-])cc1O	ZINC000000238451	361150895	/nfs/dbraw/zinc/15/08/95/361150895.db2.gz	BYJAUVOJFXCKPY-UHFFFAOYSA-N	-1	1	295.298	2.104	50	0		CEAAMM
CCOc1ccc(NC(=O)[N-]C(=O)C(F)(F)F)cc1	ZINC000000081869	361124957	/nfs/dbraw/zinc/12/49/57/361124957.db2.gz	MXBZTMSYZDHMAJ-UHFFFAOYSA-N	-1	1	276.214	2.296	50	0		CEAAMM
CCOc1ccc(NC([O-])=NC(=O)C(F)(F)F)cc1	ZINC000000081869	361124962	/nfs/dbraw/zinc/12/49/62/361124962.db2.gz	MXBZTMSYZDHMAJ-UHFFFAOYSA-N	-1	1	276.214	2.296	50	0		CEAAMM
COc1cc(C=C2SC(=O)[N-]C2=O)cc(OC)c1OC	ZINC000002067356	361227406	/nfs/dbraw/zinc/22/74/06/361227406.db2.gz	QDFOIPGNWHJEBT-UXBLZVDNSA-N	-1	1	295.316	2.036	50	0		CEAAMM
Cc1c2ccc([O-])cc2oc(=O)c1CC(=O)NCC(C)C	ZINC000004085161	361299492	/nfs/dbraw/zinc/29/94/92/361299492.db2.gz	WANBJHQTNZXUAZ-UHFFFAOYSA-N	-1	1	289.331	2.122	50	0		CEAAMM
COc1ccc(C=C2SC(=O)[N-]C2=O)cc1OC	ZINC000012529699	361388539	/nfs/dbraw/zinc/38/85/39/361388539.db2.gz	ARJGUVIAPHIKLE-POHAHGRESA-N	-1	1	265.290	2.028	50	0		CEAAMM
O=C1[N-]C(=S)NC1=Cc1cccc(C(F)(F)F)c1	ZINC000016677266	361495628	/nfs/dbraw/zinc/49/56/28/361495628.db2.gz	KZHLEYYJCNWLMW-VMPITWQZSA-N	-1	1	272.251	2.051	50	0		CEAAMM
COc1ccc(C(=O)Nc2ncc(C)s2)c([O-])c1	ZINC000019839531	361558813	/nfs/dbraw/zinc/55/88/13/361558813.db2.gz	GHQUCVSHZHYVCT-UHFFFAOYSA-N	-1	1	264.306	2.418	50	0		CEAAMM
O=C([O-])c1ccc(N2CCN(Cc3ccccc3)CC2)nc1	ZINC000019731771	361548575	/nfs/dbraw/zinc/54/85/75/361548575.db2.gz	QBGFOAVNQHUNFD-UHFFFAOYSA-N	-1	1	297.358	2.102	50	0		CEAAMM
CCO[N-]C(=O)[C@@H]1CC(=O)N(c2cccc3ccccc32)C1	ZINC000022874428	361589695	/nfs/dbraw/zinc/58/96/95/361589695.db2.gz	PUVRSJYOZXUEGG-CYBMUJFWSA-N	-1	1	298.342	2.260	50	0		CEAAMM
COc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)c(C)n1	ZINC000089537035	363978004	/nfs/dbraw/zinc/97/80/04/363978004.db2.gz	WUFNSXGIBKSOFP-UHFFFAOYSA-N	-1	1	296.323	2.339	50	0		CEAAMM
C[C@@]1(C(=O)[O-])CCN(C(=O)c2cc(-c3ccccc3)[nH]n2)C1	ZINC000237655794	370742992	/nfs/dbraw/zinc/74/29/92/370742992.db2.gz	IPGNVKPNCPWQGM-MRXNPFEDSA-N	-1	1	299.330	2.014	50	0		CEAAMM
Cc1ncc(CNC(=O)c2c(F)ccc([O-])c2F)s1	ZINC000240668160	370780405	/nfs/dbraw/zinc/78/04/05/370780405.db2.gz	HMQKSVATHPJSIT-UHFFFAOYSA-N	-1	1	284.287	2.365	50	0		CEAAMM
O=C([N-]c1ncn(C2CCCCC2)n1)c1ccon1	ZINC000097107305	364452777	/nfs/dbraw/zinc/45/27/77/364452777.db2.gz	XOVKHUPRINFQIX-UHFFFAOYSA-N	-1	1	261.285	2.024	50	0		CEAAMM
Cc1noc(-c2cc(NC(=O)NC(C)C)ccc2[O-])n1	ZINC000097114110	364457157	/nfs/dbraw/zinc/45/71/57/364457157.db2.gz	HMDPACWOJIADMN-UHFFFAOYSA-N	-1	1	276.296	2.281	50	0		CEAAMM
Cn1ncc(C(=O)Nc2ccncc2[O-])c1-c1ccccc1	ZINC000097237571	364486528	/nfs/dbraw/zinc/48/65/28/364486528.db2.gz	NYZXYIKMQOSDAW-UHFFFAOYSA-N	-1	1	294.314	2.440	50	0		CEAAMM
C[C@@H]1C[C@H](C(=O)NC(C)(C)c2nn[n-]n2)CC(C)(C)C1	ZINC000357356159	370812674	/nfs/dbraw/zinc/81/26/74/370812674.db2.gz	OEKORNIHSGDDBC-ZJUUUORDSA-N	-1	1	279.388	2.013	50	0		CEAAMM
Cc1nc([C@H]2CCCN2Cc2ccccc2C(=O)[O-])n[nH]1	ZINC000215002002	370171840	/nfs/dbraw/zinc/17/18/40/370171840.db2.gz	UTCKBIZZUIAKLS-CYBMUJFWSA-N	-1	1	286.335	2.148	50	0		CEAAMM
CCS(=O)(=O)[N-]c1ccsc1-c1nc(C2CC2)no1	ZINC000206668853	370156145	/nfs/dbraw/zinc/15/61/45/370156145.db2.gz	UXUFXMJXXHFTDL-UHFFFAOYSA-N	-1	1	299.377	2.437	50	0		CEAAMM
C[C@@H]1CN(CCC(=O)[O-])C[C@H](c2ccc(F)cc2)O1	ZINC000252490419	371445281	/nfs/dbraw/zinc/44/52/81/371445281.db2.gz	KSZIQELDNOSZKV-ZWNOBZJWSA-N	-1	1	267.300	2.062	50	0		CEAAMM
CCn1c(CC(=O)Nc2ccccc2F)n[n-]c1=S	ZINC000004739096	170008474	/nfs/dbraw/zinc/00/84/74/170008474.db2.gz	PCDJCKUPDYNGKW-UHFFFAOYSA-N	-1	1	280.328	2.281	50	0		CEAAMM
CCOc1cc(S(=O)(=O)[N-]c2ccncc2)ccc1F	ZINC000004913673	170040283	/nfs/dbraw/zinc/04/02/83/170040283.db2.gz	UVXILDHJXAAZGP-UHFFFAOYSA-N	-1	1	296.323	2.420	50	0		CEAAMM
CCCCS(=O)(=O)[N-]c1cc(OC)ccc1OC	ZINC000006706433	170230709	/nfs/dbraw/zinc/23/07/09/170230709.db2.gz	JEDUWRTXLHHDJH-UHFFFAOYSA-N	-1	1	273.354	2.246	50	0		CEAAMM
COC(=O)c1cc(=O)[n-]c(SCc2cccc(C)c2)n1	ZINC000008772889	170355383	/nfs/dbraw/zinc/35/53/83/170355383.db2.gz	YSCYTGDRZFGBQA-UHFFFAOYSA-N	-1	1	290.344	2.157	50	0		CEAAMM
O=C([O-])[C@@H]1CCCN(Cc2nc(-c3ccccc3)no2)C1	ZINC000035297209	172111299	/nfs/dbraw/zinc/11/12/99/172111299.db2.gz	PVWNANBVZZKTNU-GFCCVEGCSA-N	-1	1	287.319	2.033	50	0		CEAAMM
CCOC(=O)c1n[n-]c(C(F)(F)F)c1Br	ZINC000040564684	174336931	/nfs/dbraw/zinc/33/69/31/174336931.db2.gz	OVIHBAGNAYIHMQ-UHFFFAOYSA-N	-1	1	287.035	2.368	50	0		CEAAMM
C[C@H]1CCCC[C@@H]1NC(=O)c1nc2ccccc2c(=O)[n-]1	ZINC000040497825	278335969	/nfs/dbraw/zinc/33/59/69/278335969.db2.gz	RECSOVMQLPVQRA-JQWIXIFHSA-N	-1	1	285.347	2.232	50	0		CEAAMM
CC[C@H](c1ccc(F)cc1F)N1CCN(CC(=O)[O-])CC1	ZINC000236873924	288155100	/nfs/dbraw/zinc/15/51/00/288155100.db2.gz	JOUUQSPKBGAJDH-CQSZACIVSA-N	-1	1	298.333	2.118	50	0		CEAAMM
O=C1[N-]C(=S)NC1=Cc1ccc(Br)cc1	ZINC000001302796	280282073	/nfs/dbraw/zinc/28/20/73/280282073.db2.gz	HFUBCGMGUNUQRG-YVMONPNESA-N	-1	1	283.150	2.206	50	0		CEAAMM
CCOc1c(C=C2SC(=O)[N-]C2=O)cccc1OC	ZINC000033293927	361775944	/nfs/dbraw/zinc/77/59/44/361775944.db2.gz	UHSSIFSJTLJJOD-YFHOEESVSA-N	-1	1	279.317	2.418	50	0		CEAAMM
O=C(NC[C@H]1CCCCO1)c1cc(Cl)ccc1[O-]	ZINC000042825056	362122034	/nfs/dbraw/zinc/12/20/34/362122034.db2.gz	LSGSZOHFJQJBGT-SNVBAGLBSA-N	-1	1	269.728	2.345	50	0		CEAAMM
Cc1ccccc1[C@@H](O)CNC(=O)c1ccc([O-])cc1F	ZINC000097232582	344244172	/nfs/dbraw/zinc/24/41/72/344244172.db2.gz	PHDHGTXOKHBNMW-HNNXBMFYSA-N	-1	1	289.306	2.303	50	0		CEAAMM
Cc1c(Cl)cccc1-n1ccn2c(n[n-]c2=S)c1=O	ZINC000114767579	344280829	/nfs/dbraw/zinc/28/08/29/344280829.db2.gz	NCKINDSWPVYURH-UHFFFAOYSA-N	-1	1	292.751	2.131	50	0		CEAAMM
CCCc1cc(C(=O)N2CCCC[C@@H]2CCC(=O)[O-])n[nH]1	ZINC000236896847	370649227	/nfs/dbraw/zinc/64/92/27/370649227.db2.gz	LRFDBZFTPPYMHW-GFCCVEGCSA-N	-1	1	293.367	2.222	50	0		CEAAMM
O=C([O-])c1ccc(C[C@H]2CCN(Cc3ncc[nH]3)C2)cc1	ZINC000072447877	363136300	/nfs/dbraw/zinc/13/63/00/363136300.db2.gz	DRBNEHFRIZUVHO-CYBMUJFWSA-N	-1	1	285.347	2.173	50	0		CEAAMM
CCC[C@H]1SCCN1C(=O)c1ncccc1[O-]	ZINC000153831869	188106079	/nfs/dbraw/zinc/10/60/79/188106079.db2.gz	XSAAYZJQVYHZCM-SNVBAGLBSA-N	-1	1	252.339	2.102	50	0		CEAAMM
O=C([N-]C(=O)C(F)(F)F)Nc1cccc(F)c1	ZINC000000107995	361129232	/nfs/dbraw/zinc/12/92/32/361129232.db2.gz	OXFYHZBVOOHHOL-UHFFFAOYSA-N	-1	1	250.151	2.036	50	0		CEAAMM
CC(=O)Oc1ccc([N-]S(=O)(=O)c2ccccc2)cc1	ZINC000000247767	361151981	/nfs/dbraw/zinc/15/19/81/361151981.db2.gz	NBZLUTSWDDMLEG-UHFFFAOYSA-N	-1	1	291.328	2.413	50	0		CEAAMM
CCOc1ccc(C=C2SC(=O)[N-]C2=O)c(O)c1	ZINC000001514156	361208108	/nfs/dbraw/zinc/20/81/08/361208108.db2.gz	VIWBAZLLEPGNTI-BJMVGYQFSA-N	-1	1	265.290	2.115	50	0		CEAAMM
Cc1cccc(C=CC(=O)c2c([O-])cc(C)oc2=O)c1	ZINC000002618310	361242448	/nfs/dbraw/zinc/24/24/48/361242448.db2.gz	YOEZOGCBFWCKAF-LQYUOIDQSA-N	-1	1	270.284	2.223	50	0		CEAAMM
O=C(Nc1nnn[n-]1)c1ccc(-c2ccccc2)cc1	ZINC000003841572	361289952	/nfs/dbraw/zinc/28/99/52/361289952.db2.gz	LCVNMFBJNLPTMO-UHFFFAOYSA-N	-1	1	265.276	2.119	50	0		CEAAMM
O=C(Nc1nn[n-]n1)c1ccc(-c2ccccc2)cc1	ZINC000003841572	361289956	/nfs/dbraw/zinc/28/99/56/361289956.db2.gz	LCVNMFBJNLPTMO-UHFFFAOYSA-N	-1	1	265.276	2.119	50	0		CEAAMM
O=C(Sc1nccc(=O)[n-]1)c1ccc(Cl)cc1	ZINC000015379021	361471899	/nfs/dbraw/zinc/47/18/99/361471899.db2.gz	ADAYKTIIXOQESK-UHFFFAOYSA-N	-1	1	266.709	2.356	50	0		CEAAMM
Cc1cccn(CC(=O)Nc2ccc([O-])c(Cl)c2)c1=O	ZINC000097060384	364437654	/nfs/dbraw/zinc/43/76/54/364437654.db2.gz	TWKKCSLENSAFIX-UHFFFAOYSA-N	-1	1	292.722	2.154	50	0		CEAAMM
O=C(c1ccc([O-])cc1F)N1CCOC2(CCCC2)C1	ZINC000097046116	364430703	/nfs/dbraw/zinc/43/07/03/364430703.db2.gz	UKNJVMQSWBZVIR-UHFFFAOYSA-N	-1	1	279.311	2.317	50	0		CEAAMM
C[C@@H](C(=O)OC(C)(C)C)N(C)C(=O)c1cc(F)ccc1[O-]	ZINC000175268566	368120087	/nfs/dbraw/zinc/12/00/87/368120087.db2.gz	YTQGOSLOGDTILX-VIFPVBQESA-N	-1	1	297.326	2.334	50	0		CEAAMM
CCc1ccc([C@H]2CN(CCC(=O)[O-])CCO2)cc1	ZINC000262491228	371868431	/nfs/dbraw/zinc/86/84/31/371868431.db2.gz	XMEZODFUCLHDMP-CQSZACIVSA-N	-1	1	263.337	2.097	50	0		CEAAMM
O=c1oc2ccccc2cc1-c1nc(-c2cnccn2)n[n-]1	ZINC000067172673	285229111	/nfs/dbraw/zinc/22/91/11/285229111.db2.gz	FLSFAHQWZSDNCG-UHFFFAOYSA-N	-1	1	291.270	2.035	50	0		CEAAMM
O=c1oc2ccccc2cc1-c1n[n-]c(-c2cnccn2)n1	ZINC000067172673	285229115	/nfs/dbraw/zinc/22/91/15/285229115.db2.gz	FLSFAHQWZSDNCG-UHFFFAOYSA-N	-1	1	291.270	2.035	50	0		CEAAMM
CC(C)N1CCc2c(sc3[n-]c(=S)[nH]c(=O)c23)C1	ZINC000020840399	394473557	/nfs/dbraw/zinc/47/35/57/394473557.db2.gz	DMYAGNXDILAKES-UHFFFAOYSA-N	-1	1	281.406	2.414	50	0		CEAAMM
COc1cc2nc(-c3nccs3)[n-]c(=O)c2cc1OC	ZINC000225746473	286262601	/nfs/dbraw/zinc/26/26/01/286262601.db2.gz	IZKAWYJTQUWKQS-UHFFFAOYSA-N	-1	1	289.316	2.064	50	0		CEAAMM
CCCc1cc(=O)[n-]c(Nc2ccc(OC)cc2)n1	ZINC000005012122	170055304	/nfs/dbraw/zinc/05/53/04/170055304.db2.gz	HXWPBGLSVPMHMV-UHFFFAOYSA-N	-1	1	259.309	2.475	50	0		CEAAMM
COc1ccc(C=C2NC(=O)[N-]C2=S)cc1Cl	ZINC000005661773	170124949	/nfs/dbraw/zinc/12/49/49/170124949.db2.gz	UQLXMYPLJLFLHM-YVMONPNESA-N	-1	1	268.725	2.330	50	0		CEAAMM
CCNc1nc(-c2ccc([O-])c(C(N)=O)c2)cs1	ZINC000006507920	170208108	/nfs/dbraw/zinc/20/81/08/170208108.db2.gz	NCKVESLZASLHEB-UHFFFAOYSA-N	-1	1	263.322	2.046	50	0		CEAAMM
CC(=O)Nc1nc(C)c(Cc2ccccc2)c(=O)[n-]1	ZINC000008579285	170341675	/nfs/dbraw/zinc/34/16/75/170341675.db2.gz	ILUDXWBRINTGML-UHFFFAOYSA-N	-1	1	257.293	2.040	50	0		CEAAMM
CCCOC(=O)c1ccc(Nc2nc(C)cc(=O)[n-]2)cc1	ZINC000018044069	170740585	/nfs/dbraw/zinc/74/05/85/170740585.db2.gz	NXORZERXLDIVTD-UHFFFAOYSA-N	-1	1	287.319	2.389	50	0		CEAAMM
Cc1cc2oc(=O)cc(C[P@](=O)([O-])O)c2cc1C	ZINC000020762991	171272217	/nfs/dbraw/zinc/27/22/17/171272217.db2.gz	XVHQGEOFAUWESF-UHFFFAOYSA-N	-1	1	268.205	2.088	50	0		CEAAMM
CCn1c(CCNC(=O)c2cccc(C)c2)n[n-]c1=S	ZINC000038536900	174144977	/nfs/dbraw/zinc/14/49/77/174144977.db2.gz	CBWNHXXGUVFVEO-UHFFFAOYSA-N	-1	1	290.392	2.242	50	0		CEAAMM
COc1ccc2c(c1)-c1ccccc1S(=O)(=O)[N-]2	ZINC000000264493	277432785	/nfs/dbraw/zinc/43/27/85/277432785.db2.gz	HDEOXVICYDBVHA-UHFFFAOYSA-N	-1	1	261.302	2.476	50	0		CEAAMM
Cc1ccccc1[C@@H]1CN(CCC(=O)[O-])[C@H](C)CO1	ZINC000299739636	302154533	/nfs/dbraw/zinc/15/45/33/302154533.db2.gz	QUJPCAHGEZYQIO-OCCSQVGLSA-N	-1	1	263.337	2.232	50	0		CEAAMM
Cc1c(C(=O)N2CCC[C@@H]2C(=O)[O-])n[nH]c1-c1ccccc1	ZINC000426396642	230416898	/nfs/dbraw/zinc/41/68/98/230416898.db2.gz	QHNQDIQJRVGPCZ-GFCCVEGCSA-N	-1	1	299.330	2.074	50	0		CEAAMM
[S-]c1nnc2n1nc(-c1ccccc1)n2C1CC1	ZINC000032627456	361747693	/nfs/dbraw/zinc/74/76/93/361747693.db2.gz	NEYJMYQMDBBZJP-UHFFFAOYSA-N	-1	1	257.322	2.216	50	0		CEAAMM
CC1(C)C[C@@H](O)CCN(C(=O)c2ccc([O-])c(F)c2)C1	ZINC000584902813	345004664	/nfs/dbraw/zinc/00/46/64/345004664.db2.gz	NNWUBDPQPUGDAI-NSHDSACASA-N	-1	1	281.327	2.154	50	0		CEAAMM
O=C([N-]N1CCCCC1=O)c1cc(Cl)ccc1F	ZINC000058161291	362609601	/nfs/dbraw/zinc/60/96/01/362609601.db2.gz	VCFGXXDFGWXNBD-UHFFFAOYSA-N	-1	1	270.691	2.136	50	0		CEAAMM
C[Si](C)(C)CCCc1c([O-])nc2n(c1=O)CCS2	ZINC000169794792	539975317	/nfs/dbraw/zinc/97/53/17/539975317.db2.gz	DKCRAZSRAVOQIB-UHFFFAOYSA-N	-1	1	284.457	2.325	50	0		CEAAMM
COc1cc(N)ccc1[N-]S(=O)(=O)c1ccccc1	ZINC000000264416	361153696	/nfs/dbraw/zinc/15/36/96/361153696.db2.gz	KEJMWUWHCFJTSD-UHFFFAOYSA-N	-1	1	278.333	2.078	50	0		CEAAMM
O=C(NC[C@@H]1CCCO1)c1cc2ccccc2cc1[O-]	ZINC000013007212	361415529	/nfs/dbraw/zinc/41/55/29/361415529.db2.gz	DBYOJRHWEJEBCL-ZDUSSCGKSA-N	-1	1	271.316	2.454	50	0		CEAAMM
Cc1cc(=O)[n-]c(SCC(=O)c2ccc(F)cc2)n1	ZINC000013425479	361428003	/nfs/dbraw/zinc/42/80/03/361428003.db2.gz	NRUFGKXAWWWDRO-UHFFFAOYSA-N	-1	1	278.308	2.192	50	0		CEAAMM
COc1cccc(C=C2SC(=O)[N-]C2=O)c1OC	ZINC000017028466	361502769	/nfs/dbraw/zinc/50/27/69/361502769.db2.gz	VCCYLUDFIQHPMV-RMKNXTFCSA-N	-1	1	265.290	2.028	50	0		CEAAMM
CCC[C@H](NC(=O)[C@@H](C)c1cccs1)c1nn[n-]n1	ZINC000089949538	364022579	/nfs/dbraw/zinc/02/25/79/364022579.db2.gz	PBGCRSQOEJXAAQ-IUCAKERBSA-N	-1	1	279.369	2.022	50	0		CEAAMM
CCC[C@@H](NC(=O)[C@@H](C)c1cccs1)c1nn[n-]n1	ZINC000089949540	364023019	/nfs/dbraw/zinc/02/30/19/364023019.db2.gz	PBGCRSQOEJXAAQ-DTWKUNHWSA-N	-1	1	279.369	2.022	50	0		CEAAMM
Cc1[nH]n(-c2ccc(F)cc2)c(=O)c1CCC(=O)[O-]	ZINC000100489077	364546733	/nfs/dbraw/zinc/54/67/33/364546733.db2.gz	CTLSYMXLMGGLIB-NSHDSACASA-N	-1	1	264.256	2.029	50	0		CEAAMM
CCOc1ccc(C=NNc2ncnc3[nH]cnc32)cc1	ZINC000254506774	371537208	/nfs/dbraw/zinc/53/72/08/371537208.db2.gz	FGRHPBXSEOEHCO-UHFFFAOYSA-N	-1	1	282.307	2.198	50	0		CEAAMM
O=C([O-])CC[C@H]1CCCCN1C(=O)c1cc(C2CC2)[nH]n1	ZINC000237993277	189896469	/nfs/dbraw/zinc/89/64/69/189896469.db2.gz	LDXZQJHMEMBKEH-LLVKDONJSA-N	-1	1	291.351	2.147	50	0		CEAAMM
O=c1[n-]c(=S)[nH]nc1Cc1ccc(Cl)cc1	ZINC000027299104	285379602	/nfs/dbraw/zinc/37/96/02/285379602.db2.gz	ZQJQEUZXCSZUAW-UHFFFAOYSA-N	-1	1	253.714	2.484	50	0		CEAAMM
[O-][C@]1(C(F)(F)F)CC(c2cc(Cl)ccc2O)=NO1	ZINC000000061012	394447823	/nfs/dbraw/zinc/44/78/23/394447823.db2.gz	ORZLUVGDZFTZRM-SECBINFHSA-N	-1	1	281.617	2.421	50	0		CEAAMM
O=C([N-]c1nncs1)c1ccc(Br)o1	ZINC000001284940	394451425	/nfs/dbraw/zinc/45/14/25/394451425.db2.gz	PRNKGGPSQRVSOS-UHFFFAOYSA-N	-1	1	274.099	2.146	50	0		CEAAMM
COc1ccc(OC)c(Nc2nc3c(c(=O)[n-]2)CCC3)c1	ZINC000005009330	170054606	/nfs/dbraw/zinc/05/46/06/170054606.db2.gz	YJKUFESINXERRR-UHFFFAOYSA-N	-1	1	287.319	2.019	50	0		CEAAMM
Cc1cc(=O)[n-]c(SCCOc2ccccc2F)n1	ZINC000005124067	170068354	/nfs/dbraw/zinc/06/83/54/170068354.db2.gz	WATPXPJXKUZIBN-UHFFFAOYSA-N	-1	1	280.324	2.389	50	0		CEAAMM
COc1ccc([O-])c(C(=O)c2cnc3c(c2)c(C)nn3C)c1	ZINC000005938842	170158782	/nfs/dbraw/zinc/15/87/82/170158782.db2.gz	MRBQDBIOTNLFJC-UHFFFAOYSA-N	-1	1	297.314	2.222	50	0		CEAAMM
O=C(c1ccc2ccccc2c1[O-])N1CCOCC1	ZINC000006118211	170177001	/nfs/dbraw/zinc/17/70/01/170177001.db2.gz	WUJQEUMREGBPIV-UHFFFAOYSA-N	-1	1	257.289	2.018	50	0		CEAAMM
CC(C)n1c(CCNC(=O)C(C)(C)C)n[n-]c1=S	ZINC000065549510	175749494	/nfs/dbraw/zinc/74/94/94/175749494.db2.gz	FAQMZGDHTYEMDD-UHFFFAOYSA-N	-1	1	270.402	2.226	50	0		CEAAMM
Cc1ccc(-c2cc(C(=O)N3CCC[C@H]3C(=O)[O-])n[nH]2)cc1	ZINC000045948735	525718865	/nfs/dbraw/zinc/71/88/65/525718865.db2.gz	LPVPXCHDUVOXCE-AWEZNQCLSA-N	-1	1	299.330	2.074	50	0		CEAAMM
CC(C)OCc1cccc(-c2[n-][nH]c3ncnc(=N)c2-3)c1	ZINC000952880630	815074737	/nfs/dbraw/zinc/07/47/37/815074737.db2.gz	HDHTUFBUMCNTGH-UHFFFAOYSA-N	-1	1	283.335	2.309	50	0		CEAAMM
CSc1nc(CSc2nnc(C)s2)cc(=O)[n-]1	ZINC000032919432	361766240	/nfs/dbraw/zinc/76/62/40/361766240.db2.gz	DOLOYVNIZHNEIW-UHFFFAOYSA-N	-1	1	286.407	2.356	50	0		CEAAMM
Cc1cc(NCc2ccc(C(=O)[O-])cc2)ncc1N	ZINC000036245021	361837453	/nfs/dbraw/zinc/83/74/53/361837453.db2.gz	SFQSQCWPULQNSY-UHFFFAOYSA-N	-1	1	257.293	2.283	50	0		CEAAMM
CC(C)c1noc([C@H](C)S(=O)(=O)c2ccc([O-])cc2)n1	ZINC000049488942	362368046	/nfs/dbraw/zinc/36/80/46/362368046.db2.gz	DEPSZPLJALSYCI-VIFPVBQESA-N	-1	1	296.348	2.434	50	0		CEAAMM
COC[C@H](C)c1nc(-c2ccc([O-])c(C(N)=O)c2)cs1	ZINC000058265583	362617010	/nfs/dbraw/zinc/61/70/10/362617010.db2.gz	ISHAVBMVOKBERY-QMMMGPOBSA-N	-1	1	292.360	2.365	50	0		CEAAMM
O=C(Cc1c[nH]c2ccccc12)[N-]O[C@@H]1CCCCO1	ZINC000058329841	362623157	/nfs/dbraw/zinc/62/31/57/362623157.db2.gz	YARFFRFZSYRRTI-OAHLLOKOSA-N	-1	1	274.320	2.285	50	0		CEAAMM
O=C([O-])[C@@H]1CCN(Cc2c(F)cccc2Cl)C1	ZINC000062133490	362710833	/nfs/dbraw/zinc/71/08/33/362710833.db2.gz	WWNWLGCXZQYUSE-MRVPVSSYSA-N	-1	1	257.692	2.386	50	0		CEAAMM
O=[P@]([O-])(O)Cc1cccc(Br)c1	ZINC000086003212	179214146	/nfs/dbraw/zinc/21/41/46/179214146.db2.gz	IQYFBQGTSGSWHQ-UHFFFAOYSA-N	-1	1	251.016	2.127	50	0		CEAAMM
CCC[N-]S(=O)(=O)c1cc(Cl)ccc1F	ZINC000074936726	363423803	/nfs/dbraw/zinc/42/38/03/363423803.db2.gz	VLCNGTMRHGWGQD-UHFFFAOYSA-N	-1	1	251.710	2.167	50	0		CEAAMM
Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CCC[C@@H](C)CC1	ZINC000081614463	538886435	/nfs/dbraw/zinc/88/64/35/538886435.db2.gz	DGTRCVAJIUFPEA-LLVKDONJSA-N	-1	1	291.395	2.464	50	0		CEAAMM
O=C(COc1ccc(F)cc1)c1ccc([O-])cc1O	ZINC000000041203	361120248	/nfs/dbraw/zinc/12/02/48/361120248.db2.gz	CBRIRMIPKKNABJ-UHFFFAOYSA-N	-1	1	262.236	2.499	50	0		CEAAMM
CCOC(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-]	ZINC000000142840	361134606	/nfs/dbraw/zinc/13/46/06/361134606.db2.gz	JVDIBUHUFFFVFX-UHFFFAOYSA-N	-1	1	266.684	2.408	50	0		CEAAMM
CC[C@H](C)c1ccc(-n2c(O)cc(=O)[n-]c2=S)cc1	ZINC000000448882	361176156	/nfs/dbraw/zinc/17/61/56/361176156.db2.gz	VOARQPWPCUHIEE-VIFPVBQESA-N	-1	1	276.361	2.338	50	0		CEAAMM
CCOC(=O)COC(=O)c1cc(Cl)cc(Cl)c1[O-]	ZINC000002266556	361231469	/nfs/dbraw/zinc/23/14/69/361231469.db2.gz	WWFSTNARZQICRU-UHFFFAOYSA-N	-1	1	293.102	2.419	50	0		CEAAMM
Cc1ccnn1Cc1n[n-]c(=S)n1CC(C)C	ZINC000002534206	361237899	/nfs/dbraw/zinc/23/78/99/361237899.db2.gz	XBKADOJGLQVCSR-UHFFFAOYSA-N	-1	1	251.359	2.150	50	0		CEAAMM
O=c1cnn(-c2cccc(Cl)c2)c([O-])c1Cl	ZINC000006557320	361336783	/nfs/dbraw/zinc/33/67/83/361336783.db2.gz	BCCRCLWNEZWPPW-UHFFFAOYSA-N	-1	1	257.076	2.245	50	0		CEAAMM
COc1ccc(Nc2nc3c(c(=O)[n-]2)CCCC3)cc1	ZINC000011991433	361371761	/nfs/dbraw/zinc/37/17/61/361371761.db2.gz	CSWUNLTXMZKIOV-UHFFFAOYSA-N	-1	1	271.320	2.401	50	0		CEAAMM
Nc1cc(=O)[n-]c(SCCOc2cccc(Cl)c2)n1	ZINC000016050496	361483138	/nfs/dbraw/zinc/48/31/38/361483138.db2.gz	XXTOQIYNSUFXMN-UHFFFAOYSA-N	-1	1	297.767	2.177	50	0		CEAAMM
O=C(Cc1ccccc1F)Nc1n[n-]c(C(F)(F)F)n1	ZINC000029388804	361685299	/nfs/dbraw/zinc/68/52/99/361685299.db2.gz	BDXQUICWKVBYJM-UHFFFAOYSA-N	-1	1	288.204	2.144	50	0		CEAAMM
Cc1cc(C)nc([N-]S(=O)(=O)Cc2ccccc2F)c1	ZINC000097140312	364460505	/nfs/dbraw/zinc/46/05/05/364460505.db2.gz	XNHDFUDCXASPSE-UHFFFAOYSA-N	-1	1	294.351	2.201	50	0		CEAAMM
O=c1[nH]c(N2CCC(c3ccccc3)CC2)nc2[nH]ncc21	ZINC000170598811	367384348	/nfs/dbraw/zinc/38/43/48/367384348.db2.gz	MDBAYRWPMBYJSC-UHFFFAOYSA-N	-1	1	295.346	2.030	50	0		CEAAMM
COCCN(C(=O)c1cncc([O-])c1)[C@H]1CC[C@@H](C)C1	ZINC000330623846	203051043	/nfs/dbraw/zinc/05/10/43/203051043.db2.gz	QDFMHCQIUDVFBZ-YPMHNXCESA-N	-1	1	278.352	2.064	50	0		CEAAMM
Cn1ccnc1CSc1nc(C2CC2)cc(=O)[n-]1	ZINC000195084747	370103605	/nfs/dbraw/zinc/10/36/05/370103605.db2.gz	WRMRJKMRWZTVNA-UHFFFAOYSA-N	-1	1	262.338	2.085	50	0		CEAAMM
C[C@H]1CN(CCCC(=O)[O-])C[C@@H](c2ccccc2)O1	ZINC000246965680	371038628	/nfs/dbraw/zinc/03/86/28/371038628.db2.gz	JXYXKBYZMBLAJS-JSGCOSHPSA-N	-1	1	263.337	2.313	50	0		CEAAMM
N=C1NC(=O)/C(=C/c2ccc([O-])c(Cl)c2)S1	ZINC000004660086	394456513	/nfs/dbraw/zinc/45/65/13/394456513.db2.gz	QPPKFWZVPAFCGW-YWEYNIOJSA-N	-1	1	254.698	2.184	50	0		CEAAMM
CCCc1cc(=O)[n-]c(Nc2ccc(OC)cc2OC)n1	ZINC000005625392	170121384	/nfs/dbraw/zinc/12/13/84/170121384.db2.gz	NBFWXFNZZVABNY-UHFFFAOYSA-N	-1	1	289.335	2.483	50	0		CEAAMM
C[C@@H](NC(=O)c1cccs1)c1n[n-]c(=S)n1C	ZINC000006556233	170212566	/nfs/dbraw/zinc/21/25/66/170212566.db2.gz	BWUNJZSZVJYEMM-ZCFIWIBFSA-N	-1	1	268.367	2.030	50	0		CEAAMM
O=C(NCC(F)(F)F)c1cc(Cl)ccc1[O-]	ZINC000006969043	170259713	/nfs/dbraw/zinc/25/97/13/170259713.db2.gz	RHOAPPVEUCZFFC-UHFFFAOYSA-N	-1	1	253.607	2.338	50	0		CEAAMM
Cc1nc2[n-]cnn2c(=O)c1Cc1ccc(Cl)cc1	ZINC000008738452	170353559	/nfs/dbraw/zinc/35/35/59/170353559.db2.gz	WWQCDCPHCUMZSX-UHFFFAOYSA-N	-1	1	274.711	2.383	50	0		CEAAMM
CCCc1cc(=O)[n-]c(Nc2cc(OC)ccc2OC)n1	ZINC000019793439	170867690	/nfs/dbraw/zinc/86/76/90/170867690.db2.gz	QIFSKQCWWGPZAN-UHFFFAOYSA-N	-1	1	289.335	2.483	50	0	aggregator	CEAAMM
Cn1ccnc1CN1CC[C@H](c2ccccc2C(=O)[O-])C1	ZINC000072148176	176326016	/nfs/dbraw/zinc/32/60/16/176326016.db2.gz	RNTCXIHIAXMNLC-LBPRGKRZSA-N	-1	1	285.347	2.108	50	0		CEAAMM
CCc1c(C)nc(-n2nc(-c3ccco3)cc2N)[n-]c1=O	ZINC000038575649	276682817	/nfs/dbraw/zinc/68/28/17/276682817.db2.gz	AFTPALWNOJPVBU-UHFFFAOYSA-N	-1	1	285.307	2.081	50	0		CEAAMM
C[C@@H]1C[C@H](C(=O)Nc2[n-]c(=O)ncc2F)CC(C)(C)C1	ZINC000170605954	344486608	/nfs/dbraw/zinc/48/66/08/344486608.db2.gz	QESYLTSMQNHVAP-BDAKNGLRSA-N	-1	1	281.331	2.310	50	0		CEAAMM
O=C([O-])[C@H]1CCN(Cc2cc(-c3cccs3)on2)C1	ZINC000062134506	362711976	/nfs/dbraw/zinc/71/19/76/362711976.db2.gz	ALOIRYCPTKYVSB-VIFPVBQESA-N	-1	1	278.333	2.310	50	0		CEAAMM
CC(C)CCn1c2nnc([S-])n2c2ccsc2c1=O	ZINC000067349562	362906174	/nfs/dbraw/zinc/90/61/74/362906174.db2.gz	GXTTYBOOLACHGP-UHFFFAOYSA-N	-1	1	294.405	2.441	50	0		CEAAMM
CCc1nn(C)cc1CNC(=O)c1ccc(Cl)cc1[O-]	ZINC000091731387	180243272	/nfs/dbraw/zinc/24/32/72/180243272.db2.gz	WTRXJCYQEJWHEC-UHFFFAOYSA-N	-1	1	293.754	2.272	50	0		CEAAMM
O=c1cc([C@@H]2CCC[N@@H+](Cc3nccs3)C2)nc[nH]1	ZINC000670455071	540418001	/nfs/dbraw/zinc/41/80/01/540418001.db2.gz	XBVLIHZBOAZVPH-SNVBAGLBSA-N	-1	1	276.365	2.018	50	0		CEAAMM
CCSc1nnc([N-]C(=O)c2cc(C)on2)s1	ZINC000001056650	361197320	/nfs/dbraw/zinc/19/73/20/361197320.db2.gz	JZSJRUALJPREOK-UHFFFAOYSA-N	-1	1	270.339	2.199	50	0		CEAAMM
CCCCOC(=O)Cc1c([O-])n(C)c2ccccc2c1=O	ZINC000002437777	361234505	/nfs/dbraw/zinc/23/45/05/361234505.db2.gz	OXFFETKHUPSSNP-UHFFFAOYSA-N	-1	1	289.331	2.130	50	0		CEAAMM
O=C1[C@@H]2[C@H]3C=C[C@H](C3)[C@@H]2C(=O)N1c1ccc(Cl)cc1[O-]	ZINC000018067652	361514361	/nfs/dbraw/zinc/51/43/61/361514361.db2.gz	PFERZIBEWWSAGE-GRUGVGOFSA-N	-1	1	289.718	2.357	50	0		CEAAMM
Cc1cc(=O)[n-]c(SCc2cn3c(cccc3C)n2)n1	ZINC000018175582	361514949	/nfs/dbraw/zinc/51/49/49/361514949.db2.gz	IEGFPUJOCZYEPE-UHFFFAOYSA-N	-1	1	286.360	2.327	50	0		CEAAMM
Cc1cc(=O)[n-]c(Nc2ccc(C(=O)OC(C)C)cc2)n1	ZINC000019793437	361554661	/nfs/dbraw/zinc/55/46/61/361554661.db2.gz	VVSZEQQARFXWQC-UHFFFAOYSA-N	-1	1	287.319	2.387	50	0		CEAAMM
CC[C@H](C)NC(=O)c1cc2ccc([O-])cc2oc1=O	ZINC000031773416	361718895	/nfs/dbraw/zinc/71/88/95/361718895.db2.gz	YISNJLSAOHJKKZ-QMMMGPOBSA-N	-1	1	261.277	2.027	50	0		CEAAMM
O=c1[n-]c(-c2nc[nH]n2)nc2ccc(-c3ccccc3)cc12	ZINC000103735628	364667408	/nfs/dbraw/zinc/66/74/08/364667408.db2.gz	AFCGOEUIQYGFSX-UHFFFAOYSA-N	-1	1	289.298	2.375	50	0		CEAAMM
Cn1[n-]c(=O)c2cc(NC(=O)c3ccco3)ccc21	ZINC000227164890	370362287	/nfs/dbraw/zinc/36/22/87/370362287.db2.gz	PKQIPXFJSNOVSQ-UHFFFAOYSA-N	-1	1	257.249	2.124	50	0		CEAAMM
O=C([N-]c1nc(-c2ccncc2)ns1)c1cscn1	ZINC000096009979	284414201	/nfs/dbraw/zinc/41/42/01/284414201.db2.gz	HWYJODLRAWVTAR-UHFFFAOYSA-N	-1	1	289.345	2.309	50	0		CEAAMM
Cn1c(Cl)cnc1CN1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-]	ZINC000250799055	394564903	/nfs/dbraw/zinc/56/49/03/394564903.db2.gz	ALPNXFMMNJRTHA-MXWKQRLJSA-N	-1	1	297.786	2.291	50	0		CEAAMM
CCc1ccc([C@@H]2CN(CCC(=O)[O-])CCO2)cc1	ZINC000262491226	394618716	/nfs/dbraw/zinc/61/87/16/394618716.db2.gz	XMEZODFUCLHDMP-AWEZNQCLSA-N	-1	1	263.337	2.097	50	0		CEAAMM
Cc1ccc(NC(=O)Cc2n[n-]c(=S)n2C)cc1C	ZINC000004739102	170008079	/nfs/dbraw/zinc/00/80/79/170008079.db2.gz	FJYRCWYAMRJELE-UHFFFAOYSA-N	-1	1	276.365	2.276	50	0		CEAAMM
CCCCS(=O)(=O)[N-]c1ccc(Br)cn1	ZINC000006706516	170230905	/nfs/dbraw/zinc/23/09/05/170230905.db2.gz	ZWVWYJADEPSILM-UHFFFAOYSA-N	-1	1	293.186	2.386	50	0		CEAAMM
O=c1ccnc(SC[C@H]2CC2(Cl)Cl)[n-]1	ZINC000009143434	170364855	/nfs/dbraw/zinc/36/48/55/170364855.db2.gz	WMAVAQRIHKNFLZ-RXMQYKEDSA-N	-1	1	251.138	2.468	50	0		CEAAMM
O=C(Nn1cn[n-]c1=S)c1ccc(Br)cc1	ZINC000009376443	170374544	/nfs/dbraw/zinc/37/45/44/170374544.db2.gz	LYWOWBOQAOEDIW-UHFFFAOYSA-N	-1	1	299.153	2.087	50	0		CEAAMM
Cc1cc(C(=O)N[C@H](C)c2nn[n-]n2)c(-c2ccccc2)o1	ZINC000020996290	171284220	/nfs/dbraw/zinc/28/42/20/171284220.db2.gz	LSLKPUKNOWMHNO-SNVBAGLBSA-N	-1	1	297.318	2.259	50	0		CEAAMM
O=C(NC[C@@H]1CCCOC1)c1ccc(Cl)cc1[O-]	ZINC000044352309	175166497	/nfs/dbraw/zinc/16/64/97/175166497.db2.gz	BERBZUHYQQPLQO-VIFPVBQESA-N	-1	1	269.728	2.202	50	0		CEAAMM
C[C@H](C(=O)N(C)CC(=O)c1ccc([O-])cc1)n1cccc1	ZINC000071751191	176260347	/nfs/dbraw/zinc/26/03/47/176260347.db2.gz	IEUSJNGJTPHKHZ-GFCCVEGCSA-N	-1	1	286.331	2.096	50	0		CEAAMM
O=C(Nc1nnn[n-]1)[C@@H]1C[C@H]1c1cccc(Cl)c1Cl	ZINC000071897881	176293073	/nfs/dbraw/zinc/29/30/73/176293073.db2.gz	FYLOYBQGZBGFTO-NKWVEPMBSA-N	-1	1	298.133	2.249	50	0		CEAAMM
O=C(Nc1nn[n-]n1)[C@@H]1C[C@H]1c1cccc(Cl)c1Cl	ZINC000071897881	176293074	/nfs/dbraw/zinc/29/30/74/176293074.db2.gz	FYLOYBQGZBGFTO-NKWVEPMBSA-N	-1	1	298.133	2.249	50	0		CEAAMM
O=C(Nc1nnn[n-]1)C1(Sc2ccccc2)CCCC1	ZINC000072288583	176361090	/nfs/dbraw/zinc/36/10/90/176361090.db2.gz	KBDYDFCLSVWGJL-UHFFFAOYSA-N	-1	1	289.364	2.243	50	0		CEAAMM
O=C(Nc1nn[n-]n1)C1(Sc2ccccc2)CCCC1	ZINC000072288583	176361091	/nfs/dbraw/zinc/36/10/91/176361091.db2.gz	KBDYDFCLSVWGJL-UHFFFAOYSA-N	-1	1	289.364	2.243	50	0		CEAAMM
CC(C)n1cc(CCC(=O)Nc2nnn[n-]2)c2ccccc21	ZINC000072405283	176397362	/nfs/dbraw/zinc/39/73/62/176397362.db2.gz	PCKXAFOPDXMAAE-UHFFFAOYSA-N	-1	1	298.350	2.307	50	0		CEAAMM
CC(C)n1cc(CCC(=O)Nc2nn[n-]n2)c2ccccc21	ZINC000072405283	176397364	/nfs/dbraw/zinc/39/73/64/176397364.db2.gz	PCKXAFOPDXMAAE-UHFFFAOYSA-N	-1	1	298.350	2.307	50	0		CEAAMM
CCn1nc(C)c([C@@H](C)NC(=O)c2ncccc2[O-])c1C	ZINC000221399734	419466816	/nfs/dbraw/zinc/46/68/16/419466816.db2.gz	PAOGFGWMBNOZQD-SECBINFHSA-N	-1	1	288.351	2.111	50	0		CEAAMM
CC(C)c1cc(=O)[n-]c(-n2nc(-c3ccco3)cc2N)n1	ZINC000038486281	275731366	/nfs/dbraw/zinc/73/13/66/275731366.db2.gz	IYKKTPGJGXKRAT-UHFFFAOYSA-N	-1	1	285.307	2.334	50	0		CEAAMM
CC(=O)N1C(=S)[N-]C(=O)C1=Cc1ccc(C(C)C)cc1	ZINC000000122657	275758439	/nfs/dbraw/zinc/75/84/39/275758439.db2.gz	VLVNLHFWENKEAR-MDWZMJQESA-N	-1	1	288.372	2.414	50	0		CEAAMM
C[C@H]1CCCC[C@H]1NC(=O)c1nc2ccccc2c(=O)[n-]1	ZINC000040497827	278337839	/nfs/dbraw/zinc/33/78/39/278337839.db2.gz	RECSOVMQLPVQRA-CMPLNLGQSA-N	-1	1	285.347	2.232	50	0		CEAAMM
N=c1oc2cc([O-])ccc2cc1C(=O)Nc1nccs1	ZINC000005671457	295030540	/nfs/dbraw/zinc/03/05/40/295030540.db2.gz	RMLMKOQYTFNIDM-UHFFFAOYSA-N	-1	1	287.300	2.327	50	0		CEAAMM
CC[C@@H](NC(=O)c1ccc([O-])cn1)c1cc(C)ccn1	ZINC000534644087	328329746	/nfs/dbraw/zinc/32/97/46/328329746.db2.gz	LHEXKTAEFFXNGM-GFCCVEGCSA-N	-1	1	271.320	2.372	50	0		CEAAMM
CCCC(CCC)C(=O)N1CCC[C@H](c2nn[n-]n2)C1	ZINC000095976994	185051040	/nfs/dbraw/zinc/05/10/40/185051040.db2.gz	MWEFNIJWTOOBGR-LBPRGKRZSA-N	-1	1	279.388	2.122	50	0		CEAAMM
CCCC(CCC)C(=O)N1CCC[C@@H](c2nn[n-]n2)C1	ZINC000095976995	185051074	/nfs/dbraw/zinc/05/10/74/185051074.db2.gz	MWEFNIJWTOOBGR-GFCCVEGCSA-N	-1	1	279.388	2.122	50	0		CEAAMM
CC[C@@H](C)C[C@@H](NC(=O)c1ccc([O-])c(F)c1)C(=O)OC	ZINC000585089805	539317090	/nfs/dbraw/zinc/31/70/90/539317090.db2.gz	FKSOZOMQLLZSTE-BXKDBHETSA-N	-1	1	297.326	2.239	50	0		CEAAMM
CCSC[C@H](C)N(C)C(=O)c1ncccc1[O-]	ZINC000097102428	344242870	/nfs/dbraw/zinc/24/28/70/344242870.db2.gz	WRNDFEYDMUTBGN-VIFPVBQESA-N	-1	1	254.355	2.001	50	0		CEAAMM
CC[C@H](C)[N-]S(=O)(=O)c1ccc(-c2cc(C)no2)o1	ZINC000064958395	362799567	/nfs/dbraw/zinc/79/95/67/362799567.db2.gz	YUGGYBSWQUMRDJ-QMMMGPOBSA-N	-1	1	284.337	2.320	50	0		CEAAMM
C[C@@H]1CN(C(=O)c2ncccc2[O-])[C@@H](c2ccccc2)CO1	ZINC000128500384	187374280	/nfs/dbraw/zinc/37/42/80/187374280.db2.gz	JFOWWICYQPEVKF-TZMCWYRMSA-N	-1	1	298.342	2.389	50	0		CEAAMM
O=C([O-])Cc1sc(Cc2ccc(Cl)cc2)nc1O	ZINC000000144988	361134897	/nfs/dbraw/zinc/13/48/97/361134897.db2.gz	BPYLGEIVYAUINT-SECBINFHSA-N	-1	1	283.736	2.398	50	0		CEAAMM
O=C([N-]C(=O)C(F)(F)F)Nc1ccc(F)c(F)c1	ZINC000000081888	361124763	/nfs/dbraw/zinc/12/47/63/361124763.db2.gz	ODGWOQMQVFBFHO-UHFFFAOYSA-N	-1	1	268.141	2.175	50	0		CEAAMM
NC(=O)c1oc2ccccc2c1NC(=O)c1ccccc1[O-]	ZINC000000380742	361167605	/nfs/dbraw/zinc/16/76/05/361167605.db2.gz	HXDZNXSGRZAWRQ-UHFFFAOYSA-N	-1	1	296.282	2.490	50	0		CEAAMM
Cc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1N	ZINC000003833018	361290464	/nfs/dbraw/zinc/29/04/64/361290464.db2.gz	SHEKQTHEFWKAIL-UHFFFAOYSA-N	-1	1	262.334	2.378	50	0		CEAAMM
O=c1[n-]c(SCCOc2ccccc2)nc2c1CCC2	ZINC000011905479	361368893	/nfs/dbraw/zinc/36/88/93/361368893.db2.gz	JXLRZYHGZPHCOI-UHFFFAOYSA-N	-1	1	288.372	2.430	50	0		CEAAMM
COc1ccc(C=C2SC(=O)[N-]C2=O)c(OC)c1OC	ZINC000013060533	361418471	/nfs/dbraw/zinc/41/84/71/361418471.db2.gz	AUNKRLKUWUDMSF-TWGQIWQCSA-N	-1	1	295.316	2.036	50	0		CEAAMM
CC(C)c1cc(=O)[n-]c(SCC(=O)NC2CCCC2)n1	ZINC000015879952	361480670	/nfs/dbraw/zinc/48/06/70/361480670.db2.gz	JORWWYJWUWGHSD-UHFFFAOYSA-N	-1	1	295.408	2.044	50	0		CEAAMM
CCOCC[N@@H+](C)Cc1cc(=O)[nH]c(-c2ccccc2)n1	ZINC000408520286	375508405	/nfs/dbraw/zinc/50/84/05/375508405.db2.gz	VKXDLXPEJHKEAM-UHFFFAOYSA-N	-1	1	287.363	2.318	50	0		CEAAMM
O=c1c(-c2cc3ccccc3o2)[n+]([O-])c2ccccc2n1[O-]	ZINC000000535187	285205064	/nfs/dbraw/zinc/20/50/64/285205064.db2.gz	RTWYQWXWCIYGJK-UHFFFAOYSA-N	-1	1	294.266	2.285	50	0		CEAAMM
CCCc1cc(=O)[n-]c(SCC(=O)c2ccc[nH]2)n1	ZINC000006589790	170216789	/nfs/dbraw/zinc/21/67/89/170216789.db2.gz	AWDBIGAPMUBYAX-UHFFFAOYSA-N	-1	1	277.349	2.026	50	0		CEAAMM
C[C@@H]1CN(C(=O)c2ncccc2[O-])[C@H](c2ccccc2)CO1	ZINC000128499909	296936507	/nfs/dbraw/zinc/93/65/07/296936507.db2.gz	JFOWWICYQPEVKF-OCCSQVGLSA-N	-1	1	298.342	2.389	50	0		CEAAMM
O=C([N-]c1cnoc1)c1ccc(Br)o1	ZINC000060393534	280054306	/nfs/dbraw/zinc/05/43/06/280054306.db2.gz	CKZIMGFRBKQEGT-UHFFFAOYSA-N	-1	1	257.043	2.282	50	0		CEAAMM
O=c1[n-]c(=S)[nH]c2c1CC[C@H](c1ccccc1)O2	ZINC000008742563	280385891	/nfs/dbraw/zinc/38/58/91/280385891.db2.gz	UULUIOIAGJRHQI-SNVBAGLBSA-N	-1	1	260.318	2.499	50	0		CEAAMM
CN1CCCc2c(c3ccccc3n2CCC(=O)[O-])C1	ZINC000075566956	290005806	/nfs/dbraw/zinc/00/58/06/290005806.db2.gz	ZUSPCQJITOENKF-UHFFFAOYSA-N	-1	1	272.348	2.494	50	0		CEAAMM
CCC(CC)C(=O)Nc1ccc(Oc2nnn[n-]2)cc1	ZINC000822559359	810587409	/nfs/dbraw/zinc/58/74/09/810587409.db2.gz	QXTHPMUJEVUWDG-UHFFFAOYSA-N	-1	1	275.312	2.367	50	0		CEAAMM
CCC(CC)C(=O)Nc1ccc(Oc2nn[n-]n2)cc1	ZINC000822559359	810587415	/nfs/dbraw/zinc/58/74/15/810587415.db2.gz	QXTHPMUJEVUWDG-UHFFFAOYSA-N	-1	1	275.312	2.367	50	0		CEAAMM
CCCc1ccc(N2C[C@H](C(=O)[N-]OCC)CC2=O)cc1	ZINC000032795800	361757026	/nfs/dbraw/zinc/75/70/26/361757026.db2.gz	VSFLQALJDDWREM-CYBMUJFWSA-N	-1	1	290.363	2.060	50	0		CEAAMM
CN(CCCNC(=O)c1ncccc1[O-])c1ccccc1	ZINC000037760479	361930670	/nfs/dbraw/zinc/93/06/70/361930670.db2.gz	ONTZQNWRZMVGAU-UHFFFAOYSA-N	-1	1	285.347	2.044	50	0		CEAAMM
CCC([O-])=C1C(=O)CC(C)(C)[C@@H](c2cc(C)no2)C1=O	ZINC000102785161	344251633	/nfs/dbraw/zinc/25/16/33/344251633.db2.gz	YNZPZAVFSMVKPA-STQMWFEESA-N	-1	1	277.320	2.230	50	0		CEAAMM
CCC(=O)C1=C([O-])CC(C)(C)[C@@H](c2cc(C)no2)C1=O	ZINC000102785161	344251634	/nfs/dbraw/zinc/25/16/34/344251634.db2.gz	YNZPZAVFSMVKPA-STQMWFEESA-N	-1	1	277.320	2.230	50	0		CEAAMM
CC(C)=CC[C@@]1(C(=O)[O-])CCCN(Cc2ncc[nH]2)C1	ZINC000091381710	180144223	/nfs/dbraw/zinc/14/42/23/180144223.db2.gz	OPADETVUKLPONG-HNNXBMFYSA-N	-1	1	277.368	2.433	50	0		CEAAMM
CCO[C@@H]1C[C@@H](N(C)C(=O)c2ncccc2[O-])C12CCC2	ZINC000132174467	366124124	/nfs/dbraw/zinc/12/41/24/366124124.db2.gz	OMLOQLMDUNHTGQ-CHWSQXEVSA-N	-1	1	290.363	2.207	50	0		CEAAMM
COC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1	ZINC000000143579	361135339	/nfs/dbraw/zinc/13/53/39/361135339.db2.gz	SPIPPTXOJKWUKC-UHFFFAOYSA-N	-1	1	291.328	2.274	50	0		CEAAMM
CCOc1cc(C=C2SC(=O)[N-]C2=O)ccc1OC	ZINC000001213908	361199519	/nfs/dbraw/zinc/19/95/19/361199519.db2.gz	LQSRCWMJAIGNIX-YRNVUSSQSA-N	-1	1	279.317	2.418	50	0		CEAAMM
COc1ccc(OC)c(C=C2SC(=O)[N-]C2=O)c1	ZINC000001190891	361200127	/nfs/dbraw/zinc/20/01/27/361200127.db2.gz	BTVXGOPTTYYHOK-UXBLZVDNSA-N	-1	1	265.290	2.028	50	0		CEAAMM
Cc1cccc([C@H](CC(=O)[O-])NC(=O)C(F)(F)F)c1	ZINC000002505765	361236389	/nfs/dbraw/zinc/23/63/89/361236389.db2.gz	MLBPCEJDOPFPJU-VIFPVBQESA-N	-1	1	275.226	2.189	50	0		CEAAMM
COc1cccc(Nc2nc3c(c(=O)[n-]2)CCCC3)c1	ZINC000011903441	361368616	/nfs/dbraw/zinc/36/86/16/361368616.db2.gz	IXZXZTSONOBSLE-UHFFFAOYSA-N	-1	1	271.320	2.401	50	0		CEAAMM
Cn1cnnc1-c1cccc(NC(=O)c2ccccc2[O-])c1	ZINC000031806567	361718737	/nfs/dbraw/zinc/71/87/37/361718737.db2.gz	YOZMPOUEQOQCRN-UHFFFAOYSA-N	-1	1	294.314	2.440	50	0		CEAAMM
CC(C)c1noc([N-]Cc2nnc3n2CCCCC3)n1	ZINC000089893684	364013138	/nfs/dbraw/zinc/01/31/38/364013138.db2.gz	AELSVNKXURQVGZ-UHFFFAOYSA-N	-1	1	276.344	2.123	50	0		CEAAMM
O=S(=O)([N-]c1ncccc1F)c1cccc(F)c1	ZINC000097047032	364432261	/nfs/dbraw/zinc/43/22/61/364432261.db2.gz	JIUHRQGJBPYLEQ-UHFFFAOYSA-N	-1	1	270.260	2.161	50	0		CEAAMM
Cc1ccc(-c2ocnc2C(=O)[N-]c2nc[nH]n2)cc1	ZINC000096436035	364422306	/nfs/dbraw/zinc/42/23/06/364422306.db2.gz	XEMRRNTXCMGWCW-UHFFFAOYSA-N	-1	1	269.264	2.020	50	0		CEAAMM
O=C1N[C@@H](c2ccc([O-])c(Cl)c2)N2CCCC[C@H]12	ZINC000076065148	296388926	/nfs/dbraw/zinc/38/89/26/296388926.db2.gz	CGLOJCFKEKCGHN-ZYHUDNBSSA-N	-1	1	266.728	2.029	50	0		CEAAMM
CC[C@H](CC1CCCCC1)C(=O)Nc1nnn[n-]1	ZINC000096412524	394683355	/nfs/dbraw/zinc/68/33/55/394683355.db2.gz	FPJSOSUQCLLIRA-SNVBAGLBSA-N	-1	1	251.334	2.135	50	0		CEAAMM
CC[C@H](CC1CCCCC1)C(=O)Nc1nn[n-]n1	ZINC000096412524	394683359	/nfs/dbraw/zinc/68/33/59/394683359.db2.gz	FPJSOSUQCLLIRA-SNVBAGLBSA-N	-1	1	251.334	2.135	50	0		CEAAMM
O=C([O-])c1ccc(CN2CCN(c3ccccn3)CC2)cc1	ZINC000019822206	400105923	/nfs/dbraw/zinc/10/59/23/400105923.db2.gz	KUBGDWALOPNFIH-UHFFFAOYSA-N	-1	1	297.358	2.102	50	0		CEAAMM
O=C(C=Cc1ccc(Cl)c(Cl)c1)Nc1nnn[n-]1	ZINC000006234859	170184482	/nfs/dbraw/zinc/18/44/82/170184482.db2.gz	WUVNYNQZBCBASS-DUXPYHPUSA-N	-1	1	284.106	2.158	50	0		CEAAMM
O=C(C=Cc1ccc(Cl)c(Cl)c1)Nc1nn[n-]n1	ZINC000006234859	170184483	/nfs/dbraw/zinc/18/44/83/170184483.db2.gz	WUVNYNQZBCBASS-DUXPYHPUSA-N	-1	1	284.106	2.158	50	0		CEAAMM
Cc1[nH]n(-c2ccc(F)cc2)c(=O)c1CCC(=O)[O-]	ZINC000012504960	170491233	/nfs/dbraw/zinc/49/12/33/170491233.db2.gz	CTLSYMXLMGGLIB-LLVKDONJSA-N	-1	1	264.256	2.029	50	0		CEAAMM
O=C(NCCCn1ccnc1)c1cc(Cl)ccc1[O-]	ZINC000020304355	171141167	/nfs/dbraw/zinc/14/11/67/171141167.db2.gz	CFAKYXLITLUKTP-UHFFFAOYSA-N	-1	1	279.727	2.062	50	0		CEAAMM
C[C@@H](C(=O)N(C)CC(=O)c1ccc([O-])cc1)n1cccc1	ZINC000071751190	176259985	/nfs/dbraw/zinc/25/99/85/176259985.db2.gz	IEUSJNGJTPHKHZ-LBPRGKRZSA-N	-1	1	286.331	2.096	50	0		CEAAMM
C[C@@H]1CN(C(=O)c2cc(Cl)ccc2[O-])C[C@@H](C)O1	ZINC000019837434	288016475	/nfs/dbraw/zinc/01/64/75/288016475.db2.gz	BWSOAYOMJSRRNR-RKDXNWHRSA-N	-1	1	269.728	2.295	50	0		CEAAMM
CCc1c(C)sc2[n-]c(-c3ncccn3)nc(=O)c12	ZINC000048622631	281369208	/nfs/dbraw/zinc/36/92/08/281369208.db2.gz	OOSTZTCMYYTWKR-UHFFFAOYSA-N	-1	1	272.333	2.312	50	0		CEAAMM
COc1ccc(CC[C@H](C)NCc2n[n-]c(=N)s2)cc1	ZINC000534656690	328340167	/nfs/dbraw/zinc/34/01/67/328340167.db2.gz	LHMRRPLBIBSOIC-JTQLQIEISA-N	-1	1	292.408	2.070	50	0		CEAAMM
Cc1noc(C)c1CSc1nc2c(c(=O)[n-]1)CCC2	ZINC000096494672	230383787	/nfs/dbraw/zinc/38/37/87/230383787.db2.gz	DSIWGNJKRIEAPM-UHFFFAOYSA-N	-1	1	277.349	2.156	50	0		CEAAMM
Cc1cc(C(=O)Nc2ccc(Cl)cc2[O-])n[nH]1	ZINC000095974015	185049695	/nfs/dbraw/zinc/04/96/95/185049695.db2.gz	XQAUDBBSTAAIGK-UHFFFAOYSA-N	-1	1	251.673	2.329	50	0		CEAAMM
O=C([O-])[C@@H]1CCCN(Cc2cccc(F)c2F)C1	ZINC000036889033	361867341	/nfs/dbraw/zinc/86/73/41/361867341.db2.gz	GMXPPGDDHRIKOH-SNVBAGLBSA-N	-1	1	255.264	2.261	50	0		CEAAMM
CCOc1ccc(Nc2nc(COC)cc(=O)[n-]2)cc1	ZINC000041596202	362043308	/nfs/dbraw/zinc/04/33/08/362043308.db2.gz	RFOZGEFQVQIWQH-UHFFFAOYSA-N	-1	1	275.308	2.059	50	0		CEAAMM
O=C(NC[C@@H]1CCCCO1)c1cc(Cl)ccc1[O-]	ZINC000042825053	362121842	/nfs/dbraw/zinc/12/18/42/362121842.db2.gz	LSGSZOHFJQJBGT-JTQLQIEISA-N	-1	1	269.728	2.345	50	0		CEAAMM
O=c1c2ccccc2nc(NN=Cc2ccc(F)cc2)n1[O-]	ZINC000035178558	343421047	/nfs/dbraw/zinc/42/10/47/343421047.db2.gz	ZBTMZWGLTKPXGP-MFOYZWKCSA-N	-1	1	298.277	2.219	50	0		CEAAMM
CC1(C)C[C@H](O)CCN(C(=O)c2ccc([O-])c(F)c2)C1	ZINC000584902812	345004995	/nfs/dbraw/zinc/00/49/95/345004995.db2.gz	NNWUBDPQPUGDAI-LLVKDONJSA-N	-1	1	281.327	2.154	50	0		CEAAMM
CC(C)n1nc(CNc2ccc(Cl)cc2)[n-]c1=O	ZINC000065365148	362810766	/nfs/dbraw/zinc/81/07/66/362810766.db2.gz	VYFOTJWLGDUZBV-UHFFFAOYSA-N	-1	1	266.732	2.418	50	0		CEAAMM
O=C([O-])C[C@H]1CSCCN1Cc1ccccc1F	ZINC000091130706	180100945	/nfs/dbraw/zinc/10/09/45/180100945.db2.gz	HBNBWTRDVVIXJM-NSHDSACASA-N	-1	1	269.341	2.218	50	0		CEAAMM
COc1ccc2nc(-c3ccc4c(c3)OCO4)[n-]c(=O)c2c1	ZINC000069579342	362981499	/nfs/dbraw/zinc/98/14/99/362981499.db2.gz	ONSZQORDSFLZPU-UHFFFAOYSA-N	-1	1	296.282	2.327	50	0		CEAAMM
Cc1cccc(C(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)c1	ZINC000004002868	361295473	/nfs/dbraw/zinc/29/54/73/361295473.db2.gz	YWIWSCBNSJMLSG-UHFFFAOYSA-N	-1	1	283.331	2.209	50	0		CEAAMM
O=C([O-])c1ccnc(N2CCN(Cc3ccccc3)CC2)c1	ZINC000020260851	361582197	/nfs/dbraw/zinc/58/21/97/361582197.db2.gz	LWUUOJDPSYIEAJ-UHFFFAOYSA-N	-1	1	297.358	2.102	50	0		CEAAMM
O=C(CC1(O)CCCC1)Nc1c([O-])cccc1F	ZINC000095431890	364373660	/nfs/dbraw/zinc/37/36/60/364373660.db2.gz	UJUMPCNZESRWAB-UHFFFAOYSA-N	-1	1	253.273	2.165	50	0		CEAAMM
COCCN(C)[C@H](C(=O)[O-])c1ccc(C)c(C)c1	ZINC000095366398	364347382	/nfs/dbraw/zinc/34/73/82/364347382.db2.gz	ZJZZCWDAMWWLJC-ZDUSSCGKSA-N	-1	1	251.326	2.007	50	0		CEAAMM
O=C(N[C@H]1COc2ccccc2C1)c1ccc([O-])cc1F	ZINC000097046542	364431811	/nfs/dbraw/zinc/43/18/11/364431811.db2.gz	UXXWRBXVHYCREN-LLVKDONJSA-N	-1	1	287.290	2.265	50	0		CEAAMM
Cc1cccc([C@H]2CCCN2C(=O)c2ncccc2[O-])n1	ZINC000097165514	364470662	/nfs/dbraw/zinc/47/06/62/364470662.db2.gz	LORVPYKMHODRNP-CYBMUJFWSA-N	-1	1	283.331	2.468	50	0		CEAAMM
O=C(Nc1cnn(CC(F)F)c1)c1ccc([O-])cc1F	ZINC000097232604	364483363	/nfs/dbraw/zinc/48/33/63/364483363.db2.gz	OJSFBJWMFKQOOX-UHFFFAOYSA-N	-1	1	285.225	2.245	50	0		CEAAMM
Cn1c(CNC(=O)c2c([O-])cccc2F)nc2ccccc21	ZINC000163646399	367255688	/nfs/dbraw/zinc/25/56/88/367255688.db2.gz	LWXCODSUSBPOKJ-UHFFFAOYSA-N	-1	1	299.305	2.348	50	0		CEAAMM
CCC[C@H](NCC(=O)N1CCC[C@H]2CCCC[C@H]21)C(=O)[O-]	ZINC000218058496	370205794	/nfs/dbraw/zinc/20/57/94/370205794.db2.gz	CPKWGUMRLDGFFO-HZSPNIEDSA-N	-1	1	296.411	2.011	50	0		CEAAMM
O=c1[n-]c(N2CCc3ccccc32)nc2c1CCCC2	ZINC000008584511	285196463	/nfs/dbraw/zinc/19/64/63/285196463.db2.gz	BHDGRDALEFNADO-UHFFFAOYSA-N	-1	1	267.332	2.343	50	0		CEAAMM
O=S(=O)(Cc1ccc(F)cc1F)[N-]c1ccccn1	ZINC000089883916	394650883	/nfs/dbraw/zinc/65/08/83/394650883.db2.gz	UFKTXGGCGXCONI-UHFFFAOYSA-N	-1	1	284.287	2.302	50	0		CEAAMM
CC(C)N1CCc2c(c3ccccc3n2CC(=O)[O-])C1	ZINC000095535184	394673711	/nfs/dbraw/zinc/67/37/11/394673711.db2.gz	FLDHUADOYITJJO-UHFFFAOYSA-N	-1	1	272.348	2.492	50	0		CEAAMM
Cn1ccnc1[C@@H](NC(=O)c1ccc([O-])cc1F)C1CC1	ZINC000218916311	400309411	/nfs/dbraw/zinc/30/94/11/400309411.db2.gz	TVHSBPMPICJGLO-ZDUSSCGKSA-N	-1	1	289.310	2.146	50	0		CEAAMM
Cc1cc(=O)[n-]c(SCc2nc3ccccc3n2C)n1	ZINC000005125743	170068529	/nfs/dbraw/zinc/06/85/29/170068529.db2.gz	KXFDOERIXXENNT-UHFFFAOYSA-N	-1	1	286.360	2.257	50	0		CEAAMM
O=C([O-])c1cccc(-n2c(-c3cnccn3)n[nH]c2=S)c1	ZINC000005804434	170141777	/nfs/dbraw/zinc/14/17/77/170141777.db2.gz	CKGYBILOKMZKOF-UHFFFAOYSA-N	-1	1	299.315	2.085	50	0		CEAAMM
CCCc1cc(=O)[n-]c(SC[C@@H]2CCCCO2)n1	ZINC000006024440	170169245	/nfs/dbraw/zinc/16/92/45/170169245.db2.gz	UDOKUUHZGCUGTF-NSHDSACASA-N	-1	1	268.382	2.384	50	0		CEAAMM
C/C=C/C(=O)OCc1cc(=O)oc2cc([O-])ccc12	ZINC000006461283	170202905	/nfs/dbraw/zinc/20/29/05/170202905.db2.gz	JHHDATJVHUVTEX-NSCUHMNNSA-N	-1	1	260.245	2.118	50	0		CEAAMM
CCn1c(=S)[n-]nc1-c1c(Cl)c(C)nn1C	ZINC000006519995	170209028	/nfs/dbraw/zinc/20/90/28/170209028.db2.gz	SLVVIFARDRUWFW-UHFFFAOYSA-N	-1	1	257.750	2.323	50	0		CEAAMM
CCn1c(=S)[n-]nc1[C@H]1COc2ccccc2O1	ZINC000006519991	170209090	/nfs/dbraw/zinc/20/90/90/170209090.db2.gz	PPWKEJOKXQQCFC-SNVBAGLBSA-N	-1	1	263.322	2.473	50	0		CEAAMM
O=S(=O)([N-]C1CCCC1)c1cc(F)ccc1F	ZINC000006730436	170235326	/nfs/dbraw/zinc/23/53/26/170235326.db2.gz	JWJMSIJEVAGKGU-UHFFFAOYSA-N	-1	1	261.293	2.186	50	0		CEAAMM
Cc1cc(OCC(=O)Nn2cn[n-]c2=S)ccc1Cl	ZINC000009376445	170374814	/nfs/dbraw/zinc/37/48/14/170374814.db2.gz	HWSOOQWPRKUVFV-UHFFFAOYSA-N	-1	1	298.755	2.052	50	0		CEAAMM
CCCc1cc(=O)[n-]c(S[C@@H]2CCCCC2=O)n1	ZINC000035182854	172036893	/nfs/dbraw/zinc/03/68/93/172036893.db2.gz	QSCRRXYYLOWSOX-LLVKDONJSA-N	-1	1	266.366	2.326	50	0		CEAAMM
COc1ccc(C(=O)Nc2ccncc2C)c([O-])c1	ZINC000071883924	176289349	/nfs/dbraw/zinc/28/93/49/176289349.db2.gz	DHGGFNASFPPIRM-UHFFFAOYSA-N	-1	1	258.277	2.357	50	0		CEAAMM
CC(=N)c1c([O-])c2c(F)c(F)c(F)c(F)c2oc1=O	ZINC000000275199	275441891	/nfs/dbraw/zinc/44/18/91/275441891.db2.gz	IHURFSSAEATOAQ-UHFFFAOYSA-N	-1	1	275.157	2.443	50	0		CEAAMM
CC(C)(C)[C@@H]1CCC[C@H]1Nc1nc2[nH][n-]cc-2c(=O)n1	ZINC000562732412	327510219	/nfs/dbraw/zinc/51/02/19/327510219.db2.gz	ULJKPENFSNNLQM-NXEZZACHSA-N	-1	1	275.356	2.059	50	0		CEAAMM
CC[C@@H](C(=O)Nc1nnn[n-]1)c1cccc(C(F)(F)F)c1	ZINC000096460430	529294619	/nfs/dbraw/zinc/29/46/19/529294619.db2.gz	PPRCUBDDYFSUER-SECBINFHSA-N	-1	1	299.256	2.351	50	0		CEAAMM
CC[C@@H](C(=O)Nc1nn[n-]n1)c1cccc(C(F)(F)F)c1	ZINC000096460430	529294620	/nfs/dbraw/zinc/29/46/20/529294620.db2.gz	PPRCUBDDYFSUER-SECBINFHSA-N	-1	1	299.256	2.351	50	0		CEAAMM
CCc1nnc([N-]C(=O)c2coc(CC3CC3)n2)s1	ZINC000184301322	641850822	/nfs/dbraw/zinc/85/08/22/641850822.db2.gz	JVQIYCBDUNSMSQ-UHFFFAOYSA-N	-1	1	278.337	2.293	50	0		CEAAMM
O=C(CCCC1CCCCC1)N1CC[C@@H](c2nn[n-]n2)C1	ZINC000952994776	642620897	/nfs/dbraw/zinc/62/08/97/642620897.db2.gz	OGDMHKZEWFQJOZ-CYBMUJFWSA-N	-1	1	291.399	2.266	50	0		CEAAMM
O=Nc1ccc2cc(S(=O)(=O)[O-])ccc2c1O	ZINC000034173956	361787090	/nfs/dbraw/zinc/78/70/90/361787090.db2.gz	QUJXMJLDSGGGSM-UHFFFAOYSA-N	-1	1	253.235	2.190	50	0		CEAAMM
Nc1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1	ZINC000036961518	361874400	/nfs/dbraw/zinc/87/44/00/361874400.db2.gz	ZQEQFWJHPVPDIW-UHFFFAOYSA-N	-1	1	284.287	2.348	50	0		CEAAMM
CCSc1cc(Cl)ccc1C(=O)Nc1nnn[n-]1	ZINC000125465272	187185655	/nfs/dbraw/zinc/18/56/55/187185655.db2.gz	ZFWLIHHRNNODNX-UHFFFAOYSA-N	-1	1	283.744	2.217	50	0		CEAAMM
CCSc1cc(Cl)ccc1C(=O)Nc1nn[n-]n1	ZINC000125465272	187185656	/nfs/dbraw/zinc/18/56/56/187185656.db2.gz	ZFWLIHHRNNODNX-UHFFFAOYSA-N	-1	1	283.744	2.217	50	0		CEAAMM
CSC(=S)[N-]CCCCNC(=S)SC	ZINC000036450541	343423738	/nfs/dbraw/zinc/42/37/38/343423738.db2.gz	SHGZSKNMOVQHCB-UHFFFAOYSA-N	-1	1	268.498	2.242	50	0		CEAAMM
COC(C)(C)CCNC(=O)c1ccc([O-])cc1F	ZINC000584894001	345000872	/nfs/dbraw/zinc/00/08/72/345000872.db2.gz	PXWIDMMZNUTGKD-UHFFFAOYSA-N	-1	1	255.289	2.076	50	0		CEAAMM
Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CCCCCC1	ZINC000070283321	363066120	/nfs/dbraw/zinc/06/61/20/363066120.db2.gz	PGYXPJXACRYSJB-UHFFFAOYSA-N	-1	1	277.368	2.218	50	0		CEAAMM
FC(F)(F)c1n[n-]c(=S)n1Cc1cccnc1	ZINC000000039784	361120597	/nfs/dbraw/zinc/12/05/97/361120597.db2.gz	IJADGDSTAHJWLF-UHFFFAOYSA-N	-1	1	260.244	2.403	50	0		CEAAMM
CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1	ZINC000000102256	361128820	/nfs/dbraw/zinc/12/88/20/361128820.db2.gz	VKDGMAKQXJDOSE-UHFFFAOYSA-N	-1	1	290.344	2.446	50	0		CEAAMM
Cc1cc(SCC(=O)c2ccc([O-])cc2O)ncn1	ZINC000012017028	361371675	/nfs/dbraw/zinc/37/16/75/361371675.db2.gz	ICLHUGKUCQCOAE-UHFFFAOYSA-N	-1	1	276.317	2.171	50	0		CEAAMM
O=C(Nc1cccnc1Cl)Sc1nc(O)cc(=O)[n-]1	ZINC000013838116	361443868	/nfs/dbraw/zinc/44/38/68/361443868.db2.gz	BREWTVVAUMFNLK-UHFFFAOYSA-N	-1	1	298.711	2.260	50	0		CEAAMM
Nc1cc(=O)[n-]c(SCCCOc2ccccc2F)n1	ZINC000016490284	361489455	/nfs/dbraw/zinc/48/94/55/361489455.db2.gz	FJLGIOTWPZTSAC-UHFFFAOYSA-N	-1	1	295.339	2.052	50	0		CEAAMM
CCC[C@H](NC(=O)c1cc2c(s1)CCC2)c1nn[n-]n1	ZINC000095287757	364341725	/nfs/dbraw/zinc/34/17/25/364341725.db2.gz	LYYYNHVFJNTXID-VIFPVBQESA-N	-1	1	291.380	2.021	50	0		CEAAMM
CCc1nnc([N-]C(=O)c2cc(C(C)C)on2)s1	ZINC000096181198	256795091	/nfs/dbraw/zinc/79/50/91/256795091.db2.gz	LRYNESCPSSEYTB-UHFFFAOYSA-N	-1	1	266.326	2.464	50	0		CEAAMM
COc1ccc(OCCSc2nc(C)cc(=O)[n-]2)cc1	ZINC000002917241	169844540	/nfs/dbraw/zinc/84/45/40/169844540.db2.gz	YXKBDYWFNBGBID-UHFFFAOYSA-N	-1	1	292.360	2.258	50	0		CEAAMM
CCCc1cc(=O)[n-]c(Nc2cccc(OC)c2)n1	ZINC000005012120	170055079	/nfs/dbraw/zinc/05/50/79/170055079.db2.gz	HVGUIONJLJMZDU-UHFFFAOYSA-N	-1	1	259.309	2.475	50	0		CEAAMM
CCn1c(CCNC(=O)c2ccc(C)cc2)n[n-]c1=S	ZINC000006519942	170208963	/nfs/dbraw/zinc/20/89/63/170208963.db2.gz	VRJCUJCCUHWLNL-UHFFFAOYSA-N	-1	1	290.392	2.242	50	0		CEAAMM
O=C([O-])[C@H]1CCCN1Cc1ccc2ccccc2n1	ZINC000006616473	170219480	/nfs/dbraw/zinc/21/94/80/170219480.db2.gz	JUCSUZZVGVDTBE-CQSZACIVSA-N	-1	1	256.305	2.284	50	0		CEAAMM
CCCC(=O)Nc1nn2c([n-]1)nc(-c1ccccc1)cc2=O	ZINC000008829135	170356985	/nfs/dbraw/zinc/35/69/85/170356985.db2.gz	VTADHZIKMJFBFC-UHFFFAOYSA-N	-1	1	297.318	2.236	50	0		CEAAMM
Cc1ccc([C@@H](C)[N-]S(=O)(=O)c2c(C)noc2C)o1	ZINC000021188389	171299488	/nfs/dbraw/zinc/29/94/88/171299488.db2.gz	KQRFMUFZNXRQMI-MRVPVSSYSA-N	-1	1	284.337	2.232	50	0		CEAAMM
Cc1nn(C)c(C)c1C=C1SC(=S)[N-]C1=O	ZINC000002573450	302735435	/nfs/dbraw/zinc/73/54/35/302735435.db2.gz	NYXUNUSKQCQQKJ-XBXARRHUSA-N	-1	1	253.352	2.366	50	0		CEAAMM
O=C(Cc1ccon1)Nc1ccc([O-])c(Cl)c1	ZINC000096500450	534737534	/nfs/dbraw/zinc/73/75/34/534737534.db2.gz	OXHQMVDOQALLBT-UHFFFAOYSA-N	-1	1	252.657	2.215	50	0		CEAAMM
CCCCCN1CC(=O)N[C@H]1c1cc(F)c([O-])c(F)c1	ZINC000096499994	528184318	/nfs/dbraw/zinc/18/43/18/528184318.db2.gz	CEBRECVRFYHODR-CQSZACIVSA-N	-1	1	284.306	2.291	50	0		CEAAMM
Cc1ccc(CO)cc1[N-]S(=O)(=O)c1cccc(F)c1	ZINC000095960864	185043879	/nfs/dbraw/zinc/04/38/79/185043879.db2.gz	YVLHYCPRHWZAGU-UHFFFAOYSA-N	-1	1	295.335	2.427	50	0		CEAAMM
CCOC(=O)c1cn(CC)c2c([O-])cc(F)cc2c1=O	ZINC000019909916	343375198	/nfs/dbraw/zinc/37/51/98/343375198.db2.gz	YDAJGSIDPLXDPI-UHFFFAOYSA-N	-1	1	279.267	2.043	50	0		CEAAMM
COc1cccc(CN2C(=O)c3ccc([O-])cc3C2=O)c1	ZINC000001018313	343351156	/nfs/dbraw/zinc/35/11/56/343351156.db2.gz	HZALDAPPAHQRJP-UHFFFAOYSA-N	-1	1	283.283	2.197	50	0		CEAAMM
CC[C@H](NC(=O)c1ncccc1[O-])c1ccncc1	ZINC000127502483	365750159	/nfs/dbraw/zinc/75/01/59/365750159.db2.gz	RDABSIZKIHRDQH-NSHDSACASA-N	-1	1	257.293	2.063	50	0		CEAAMM
CC(=CC(=O)Nc1nnn[n-]1)c1cccc(C(F)(F)F)c1	ZINC000076066104	343878834	/nfs/dbraw/zinc/87/88/34/343878834.db2.gz	OXOZNLSIIYJRLE-ALCCZGGFSA-N	-1	1	297.240	2.261	50	0		CEAAMM
CC(=CC(=O)Nc1nn[n-]n1)c1cccc(C(F)(F)F)c1	ZINC000076066104	343878835	/nfs/dbraw/zinc/87/88/35/343878835.db2.gz	OXOZNLSIIYJRLE-ALCCZGGFSA-N	-1	1	297.240	2.261	50	0		CEAAMM
C[C@@H]1C[C@@H](C(=O)Nc2[n-]c(=O)ncc2F)CC(C)(C)C1	ZINC000170605956	344486611	/nfs/dbraw/zinc/48/66/11/344486611.db2.gz	QESYLTSMQNHVAP-RKDXNWHRSA-N	-1	1	281.331	2.310	50	0		CEAAMM
Cc1ccnc(C[C@@H](C)N(C)C(=O)c2ncccc2[O-])c1	ZINC000055414497	362550593	/nfs/dbraw/zinc/55/05/93/362550593.db2.gz	JBEHKPKWIMFQQQ-GFCCVEGCSA-N	-1	1	285.347	2.194	50	0		CEAAMM
CCc1ccc(S(=O)(=O)c2c[nH]c(=S)nc2[O-])cc1	ZINC000057351980	362578525	/nfs/dbraw/zinc/57/85/25/362578525.db2.gz	HGWKNDTWZQJXTH-UHFFFAOYSA-N	-1	1	296.373	2.240	50	0		CEAAMM
CCc1ccc(S(=O)(=O)c2c[nH]c(=S)[n-]c2=O)cc1	ZINC000057351980	362578527	/nfs/dbraw/zinc/57/85/27/362578527.db2.gz	HGWKNDTWZQJXTH-UHFFFAOYSA-N	-1	1	296.373	2.240	50	0		CEAAMM
CC(C)n1c(CNC(=O)c2ccccc2O)n[n-]c1=S	ZINC000066639850	362876866	/nfs/dbraw/zinc/87/68/66/362876866.db2.gz	WXMNCTJCCJMKAM-UHFFFAOYSA-N	-1	1	292.364	2.157	50	0		CEAAMM
C[C@H](C(=O)[O-])N1CCc2onc(-c3ccccc3F)c2C1	ZINC000067490767	362910647	/nfs/dbraw/zinc/91/06/47/362910647.db2.gz	YKNOIIIUCHMTKU-SECBINFHSA-N	-1	1	290.294	2.312	50	0		CEAAMM
O=C([O-])CC[C@H]1CCCCN1C(=O)c1cccc(F)c1O	ZINC000221355297	304062719	/nfs/dbraw/zinc/06/27/19/304062719.db2.gz	DCERRFXHVBLSOU-SNVBAGLBSA-N	-1	1	295.310	2.391	50	0		CEAAMM
COc1ccc(N)c([N-]S(=O)(=O)c2ccc(C)cc2)c1	ZINC000000409881	361171674	/nfs/dbraw/zinc/17/16/74/361171674.db2.gz	JTJOPCNLFGBTDM-UHFFFAOYSA-N	-1	1	292.360	2.387	50	0		CEAAMM
COc1cc(/C=C/[N+](=O)[O-])cc(Br)c1[O-]	ZINC000000433413	361174006	/nfs/dbraw/zinc/17/40/06/361174006.db2.gz	VJLCVLQWILPELK-NSCUHMNNSA-N	-1	1	274.070	2.411	50	0		CEAAMM
O=C1[N-]C(=O)C(=Cc2c[nH]nc2-c2ccccc2)S1	ZINC000004002895	361296546	/nfs/dbraw/zinc/29/65/46/361296546.db2.gz	ZPVPFXUXYHYJKD-UXBLZVDNSA-N	-1	1	271.301	2.401	50	0		CEAAMM
O=C(NC12CC3CC(CC(C3)C1)C2)c1cncc([O-])c1	ZINC000004030680	361296815	/nfs/dbraw/zinc/29/68/15/361296815.db2.gz	WFNXVOCHFYIBDP-UHFFFAOYSA-N	-1	1	272.348	2.486	50	0		CEAAMM
CCOc1cc(C=C2SC(=O)[N-]C2=O)ccc1O	ZINC000012467976	361385815	/nfs/dbraw/zinc/38/58/15/361385815.db2.gz	HTFKYUIYCWNLNL-UXBLZVDNSA-N	-1	1	265.290	2.115	50	0		CEAAMM
CC1CCC(NC(=O)c2nc3ccccc3c(=O)[n-]2)CC1	ZINC000012881454	361404848	/nfs/dbraw/zinc/40/48/48/361404848.db2.gz	HCIGEYPHYYHWDD-UHFFFAOYSA-N	-1	1	285.347	2.232	50	0		CEAAMM
Cc1nc2[n-]cnn2c(=O)c1Cc1cccc2ccccc21	ZINC000018223173	361518468	/nfs/dbraw/zinc/51/84/68/361518468.db2.gz	XSJXCHWPLMHYQJ-UHFFFAOYSA-N	-1	1	290.326	2.470	50	0		CEAAMM
CS(=O)(=O)c1ccc(NC(=O)c2ccccc2[O-])cc1	ZINC000019839019	361558686	/nfs/dbraw/zinc/55/86/86/361558686.db2.gz	PJBVVXNEDXSGHF-UHFFFAOYSA-N	-1	1	291.328	2.048	50	0		CEAAMM
Cc1nn(C)c(C)c1-c1[nH]nc2c1cccc2C(=O)[O-]	ZINC000031992108	361724544	/nfs/dbraw/zinc/72/45/44/361724544.db2.gz	GSJXTIZAMXCYIZ-UHFFFAOYSA-N	-1	1	270.292	2.278	50	0		CEAAMM
O=C(NCCc1nc2ccccc2[nH]1)c1c([O-])cccc1F	ZINC000120318645	365406763	/nfs/dbraw/zinc/40/67/63/365406763.db2.gz	DNHWQTLRBYPZFC-UHFFFAOYSA-N	-1	1	299.305	2.380	50	0		CEAAMM
Cc1c[nH]c([C@H](C)NC(=O)c2cc(F)ccc2[O-])n1	ZINC000223627047	370268700	/nfs/dbraw/zinc/26/87/00/370268700.db2.gz	QNQCHIKBHNHMJK-QMMMGPOBSA-N	-1	1	263.272	2.054	50	0		CEAAMM
O=C(NCCC(F)(F)F)c1c([O-])cccc1F	ZINC000225395535	370291919	/nfs/dbraw/zinc/29/19/19/370291919.db2.gz	DLKLHNRIBBEDEJ-UHFFFAOYSA-N	-1	1	251.179	2.214	50	0		CEAAMM
NC(=O)[C@@H]([N-]c1nc2ccccc2o1)c1ccccc1	ZINC000051592628	184566207	/nfs/dbraw/zinc/56/62/07/184566207.db2.gz	QIEKLKHDQPZUSP-ZDUSSCGKSA-N	-1	1	267.288	2.466	50	0		CEAAMM
O=c1[n-]c(-c2nc[nH]n2)nc2c(Cl)cc(Cl)cc12	ZINC000048229741	400190510	/nfs/dbraw/zinc/19/05/10/400190510.db2.gz	JRHDTZPVVVWAHJ-UHFFFAOYSA-N	-1	1	282.090	2.427	50	0		CEAAMM
CCn1c(CC(=O)Nc2ccc(F)cc2)n[n-]c1=S	ZINC000004739112	170008604	/nfs/dbraw/zinc/00/86/04/170008604.db2.gz	GOPXIJWTIXSARN-UHFFFAOYSA-N	-1	1	280.328	2.281	50	0		CEAAMM
Cc1cc(=O)[n-]c(Nc2nc(C)c3ccccc3n2)n1	ZINC000006664418	170223598	/nfs/dbraw/zinc/22/35/98/170223598.db2.gz	KYOIDZRHDCQGCH-UHFFFAOYSA-N	-1	1	267.292	2.074	50	0		CEAAMM
O=C(NC1CC1)c1cc(Br)ccc1[O-]	ZINC000009535237	170380937	/nfs/dbraw/zinc/38/09/37/170380937.db2.gz	GNQIURURIYZPGE-UHFFFAOYSA-N	-1	1	256.099	2.047	50	0		CEAAMM
Cc1cccc([N-]S(=O)(=O)c2cccc(N)c2)c1	ZINC000022213149	171374434	/nfs/dbraw/zinc/37/44/34/171374434.db2.gz	ZGYSJFOOKZZGCV-UHFFFAOYSA-N	-1	1	262.334	2.378	50	0		CEAAMM
O=c1[n-]c(CNc2ccccc2)nn1Cc1ccccc1F	ZINC000036559147	172639260	/nfs/dbraw/zinc/63/92/60/172639260.db2.gz	LUSBGAUIRITHTH-UHFFFAOYSA-N	-1	1	298.321	2.371	50	0		CEAAMM
CCCc1cc(=O)[n-]c(-n2nc(-c3ccco3)cc2N)n1	ZINC000038575650	174147254	/nfs/dbraw/zinc/14/72/54/174147254.db2.gz	BMEYGGYDACPKDZ-UHFFFAOYSA-N	-1	1	285.307	2.163	50	0		CEAAMM
CN(C)c1cc(C(=O)Nc2c([O-])cccc2F)ccn1	ZINC000096436568	329526277	/nfs/dbraw/zinc/52/62/77/329526277.db2.gz	XCECCAHTEJDQQR-UHFFFAOYSA-N	-1	1	275.283	2.245	50	0		CEAAMM
Cc1ccsc1CN(C)Cc1c[nH]nc1C(=O)[O-]	ZINC000071768064	813254742	/nfs/dbraw/zinc/25/47/42/813254742.db2.gz	ABWPVQONCXXACY-UHFFFAOYSA-N	-1	1	265.338	2.110	50	0		CEAAMM
C[C@H](CN(C)C(=O)c1cncc([O-])c1)c1nccs1	ZINC000096502634	230385187	/nfs/dbraw/zinc/38/51/87/230385187.db2.gz	OWNHCYSTKQEBMG-SECBINFHSA-N	-1	1	277.349	2.119	50	0		CEAAMM
O=c1[n-]c(CNc2ccccc2)nn1Cc1cccc(F)c1	ZINC000036559148	361848543	/nfs/dbraw/zinc/84/85/43/361848543.db2.gz	XMQMKJGCNSATTQ-UHFFFAOYSA-N	-1	1	298.321	2.371	50	0		CEAAMM
CC(C)COCC[N-]S(=O)(=O)c1cc2ccccc2o1	ZINC000075109320	343838542	/nfs/dbraw/zinc/83/85/42/343838542.db2.gz	WTDYAKFROCDZCS-UHFFFAOYSA-N	-1	1	297.376	2.384	50	0		CEAAMM
Cc1ccc(CC(=O)Nc2c([O-])cccc2F)cn1	ZINC000076083488	343879064	/nfs/dbraw/zinc/87/90/64/343879064.db2.gz	JSBZSAKRARWYOA-UHFFFAOYSA-N	-1	1	260.268	2.416	50	0		CEAAMM
O=C(CC1CCOCC1)Nc1c([O-])cccc1F	ZINC000076083448	343879255	/nfs/dbraw/zinc/87/92/55/343879255.db2.gz	IFJUMMYRGIEVGY-UHFFFAOYSA-N	-1	1	253.273	2.287	50	0		CEAAMM
CC[C@H](NC(=O)c1c([O-])cccc1F)c1noc(C)n1	ZINC000127793498	344331549	/nfs/dbraw/zinc/33/15/49/344331549.db2.gz	XFCSQFCLLLHUPT-VIFPVBQESA-N	-1	1	279.271	2.104	50	0		CEAAMM
Cc1cnc(-c2nc(=O)c3c4c(sc3[n-]2)CCC4)nc1	ZINC000133641094	344369847	/nfs/dbraw/zinc/36/98/47/344369847.db2.gz	PHYNWYIMMMBVHK-UHFFFAOYSA-N	-1	1	284.344	2.239	50	0		CEAAMM
CCOC(=O)NC(=S)[N-]c1ccc(C(=O)OCC)cc1	ZINC000066324205	362860979	/nfs/dbraw/zinc/86/09/79/362860979.db2.gz	NGGJARWPIYFZNB-UHFFFAOYSA-N	-1	1	296.348	2.306	50	0		CEAAMM
Cc1[nH]n(-c2ccc(Cl)cc2)c(=O)c1CC(=O)[O-]	ZINC000006678050	302725637	/nfs/dbraw/zinc/72/56/37/302725637.db2.gz	INHRDDJCARVXIJ-UHFFFAOYSA-N	-1	1	266.684	2.167	50	0		CEAAMM
CC(C)Cc1ccc([C@H](C)C(=O)Nc2nnn[n-]2)cc1	ZINC000079501268	363610500	/nfs/dbraw/zinc/61/05/00/363610500.db2.gz	WRIQDMAKVSDRET-JTQLQIEISA-N	-1	1	273.340	2.140	50	0		CEAAMM
CC(C)Cc1ccc([C@H](C)C(=O)Nc2nn[n-]n2)cc1	ZINC000079501268	363610505	/nfs/dbraw/zinc/61/05/05/363610505.db2.gz	WRIQDMAKVSDRET-JTQLQIEISA-N	-1	1	273.340	2.140	50	0		CEAAMM
COc1ccccc1[C@H](C)CC(=O)[N-]OC(C)(C)CO	ZINC000297264297	200129262	/nfs/dbraw/zinc/12/92/62/200129262.db2.gz	RNMRIKAQCJKEIG-LLVKDONJSA-N	-1	1	281.352	2.008	50	0		CEAAMM
O=C([O-])Cc1sc(-c2cccc(Cl)c2)nc1O	ZINC000000151293	361135851	/nfs/dbraw/zinc/13/58/51/361135851.db2.gz	FHLYYJKNYWPGNE-MRVPVSSYSA-N	-1	1	269.709	2.203	50	0		CEAAMM
O=C(COc1ccc(F)cc1)c1c(O)cc([O-])cc1O	ZINC000000405356	361170726	/nfs/dbraw/zinc/17/07/26/361170726.db2.gz	VRPJHAVMJOICKC-UHFFFAOYSA-N	-1	1	278.235	2.204	50	0		CEAAMM
Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1	ZINC000000874240	361195100	/nfs/dbraw/zinc/19/51/00/361195100.db2.gz	JNMXTMNGVYNSPE-UHFFFAOYSA-N	-1	1	266.297	2.209	50	0		CEAAMM
Cc1ccc(Cc2c([O-])nc3n(c2=O)CCCS3)cc1	ZINC000001004283	361195600	/nfs/dbraw/zinc/19/56/00/361195600.db2.gz	WQQNHNWRPPYZDI-UHFFFAOYSA-N	-1	1	288.372	2.344	50	0		CEAAMM
Cc1cc(=O)[n-]c(NN=C2CCCc3ccccc32)n1	ZINC000009096965	361344264	/nfs/dbraw/zinc/34/42/64/361344264.db2.gz	NJGSBSAMCREAGJ-UHFFFAOYSA-N	-1	1	268.320	2.231	50	0		CEAAMM
Cc1nc(SCc2ccc(F)cc2)[n-]c(=O)c1CCO	ZINC000011905787	361369020	/nfs/dbraw/zinc/36/90/20/361369020.db2.gz	JHLSROARULERJT-UHFFFAOYSA-N	-1	1	294.351	2.045	50	0		CEAAMM
C[C@@H]1CN(Cc2cc(=O)oc3cc([O-])ccc23)C[C@@H](C)O1	ZINC000025266572	361622857	/nfs/dbraw/zinc/62/28/57/361622857.db2.gz	WEQLMQPMEKVDJT-GHMZBOCLSA-N	-1	1	289.331	2.108	50	0		CEAAMM
CCC[C@H](NC(=O)c1cc(C)c(F)cc1F)c1nn[n-]n1	ZINC000089949619	364022604	/nfs/dbraw/zinc/02/26/04/364022604.db2.gz	FGWTWGGLHOSFJV-NSHDSACASA-N	-1	1	295.293	2.058	50	0		CEAAMM
O=C([O-])CC[C@@H]1CCCCN1C(=O)c1cc(C2CC2)[nH]n1	ZINC000237938019	370761779	/nfs/dbraw/zinc/76/17/79/370761779.db2.gz	LDXZQJHMEMBKEH-NSHDSACASA-N	-1	1	291.351	2.147	50	0		CEAAMM
O=C([N-]CCCNc1ccc(F)cc1)C(F)(F)F	ZINC000095460355	364386576	/nfs/dbraw/zinc/38/65/76/364386576.db2.gz	RKUSUYWCEHOLQG-UHFFFAOYSA-N	-1	1	264.222	2.306	50	0		CEAAMM
CC(C)c1cc(C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)n[nH]1	ZINC000097045114	364430892	/nfs/dbraw/zinc/43/08/92/364430892.db2.gz	FHYDURKEMNJCTD-NSHDSACASA-N	-1	1	293.367	2.250	50	0		CEAAMM
Cc1cccc([C@@H]2CCCN2C(=O)c2ncccc2[O-])n1	ZINC000097165513	364471768	/nfs/dbraw/zinc/47/17/68/364471768.db2.gz	LORVPYKMHODRNP-ZDUSSCGKSA-N	-1	1	283.331	2.468	50	0		CEAAMM
O=C(Nc1cncnc1N1CCCC1)c1ccccc1[O-]	ZINC000097376747	364497224	/nfs/dbraw/zinc/49/72/24/364497224.db2.gz	JUQJSVPNVBQPEI-UHFFFAOYSA-N	-1	1	284.319	2.035	50	0		CEAAMM
Cc1nc(CNC(=O)c2c([O-])cccc2F)cs1	ZINC000120129959	365376575	/nfs/dbraw/zinc/37/65/75/365376575.db2.gz	JYUZREUZNJOFHC-UHFFFAOYSA-N	-1	1	266.297	2.226	50	0		CEAAMM
CC(=NN=C1NC(=O)C(CC(=O)[O-])S1)C(C)(C)C	ZINC000252604101	371459724	/nfs/dbraw/zinc/45/97/24/371459724.db2.gz	FWJVXZZMADFVRV-ZETCQYMHSA-N	-1	1	271.342	2.311	50	0		CEAAMM
Cc1cc([N-]C(=O)c2cc(-c3ccco3)on2)no1	ZINC000000425685	394450826	/nfs/dbraw/zinc/45/08/26/394450826.db2.gz	DGYHJZSXTFCMEA-UHFFFAOYSA-N	-1	1	259.221	2.483	50	0		CEAAMM
N=C1NC(=O)/C(=C/c2cccc([O-])c2Cl)S1	ZINC000004954219	394456539	/nfs/dbraw/zinc/45/65/39/394456539.db2.gz	DDPYGPVQZYHHQA-DAXSKMNVSA-N	-1	1	254.698	2.184	50	0		CEAAMM
Cc1cc(F)ccc1S(=O)(=O)[N-]c1ncccc1F	ZINC000095994108	394676226	/nfs/dbraw/zinc/67/62/26/394676226.db2.gz	XCFZQFUGIWUGIR-UHFFFAOYSA-N	-1	1	284.287	2.469	50	0		CEAAMM
C[C@@H]1CN(CCCC(=O)[O-])C[C@H](c2ccc(F)cc2)O1	ZINC000131463286	394911358	/nfs/dbraw/zinc/91/13/58/394911358.db2.gz	SRMYTZUXUIUHSF-BXUZGUMPSA-N	-1	1	281.327	2.452	50	0		CEAAMM
CCNC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1	ZINC000046906538	400170412	/nfs/dbraw/zinc/17/04/12/400170412.db2.gz	YTRKWXFUJINWKR-UHFFFAOYSA-N	-1	1	276.336	2.016	50	0		CEAAMM
Cc1nc2[n-]cnn2c(=O)c1Cc1cccc(Cl)c1	ZINC000009134083	170364266	/nfs/dbraw/zinc/36/42/66/170364266.db2.gz	HMJOFLKXVANRNK-UHFFFAOYSA-N	-1	1	274.711	2.383	50	0		CEAAMM
Cc1ccc(SCC(=O)Nn2cn[n-]c2=S)c(C)c1	ZINC000009254611	170368698	/nfs/dbraw/zinc/36/86/98/170368698.db2.gz	NPSYQQVQBRXUAZ-UHFFFAOYSA-N	-1	1	294.405	2.420	50	0		CEAAMM
COc1ccccc1C=C(Sc1nc(C)n[nH]1)C(=O)[O-]	ZINC000009286769	170370164	/nfs/dbraw/zinc/37/01/64/170370164.db2.gz	OXATXEXWROVPOY-YRNVUSSQSA-N	-1	1	291.332	2.340	50	0		CEAAMM
COc1ccccc1C=C(Sc1n[nH]c(C)n1)C(=O)[O-]	ZINC000009286769	170370166	/nfs/dbraw/zinc/37/01/66/170370166.db2.gz	OXATXEXWROVPOY-YRNVUSSQSA-N	-1	1	291.332	2.340	50	0		CEAAMM
COc1ccc(C=C2SC(=O)[N-]C2=O)c(OC)c1	ZINC000009320210	170371711	/nfs/dbraw/zinc/37/17/11/170371711.db2.gz	FVXJTXWHZJSCSP-BJMVGYQFSA-N	-1	1	265.290	2.028	50	0		CEAAMM
Nc1cc(=O)[n-]c(SCc2ccc(F)cc2Cl)n1	ZINC000034936608	171896913	/nfs/dbraw/zinc/89/69/13/171896913.db2.gz	UDPUIWJCRXHCSH-UHFFFAOYSA-N	-1	1	285.731	2.437	50	0		CEAAMM
CCOC(=O)c1ccc([O-])c(I)c1	ZINC000039951743	174176215	/nfs/dbraw/zinc/17/62/15/174176215.db2.gz	HOAXKZYYZXASLJ-UHFFFAOYSA-N	-1	1	292.072	2.174	50	0		CEAAMM
CC[C@@H](O)C1CCN(C(=O)c2ccc([O-])c(F)c2)CC1	ZINC000218815333	414843802	/nfs/dbraw/zinc/84/38/02/414843802.db2.gz	JRYKWQOOOARMEQ-CYBMUJFWSA-N	-1	1	281.327	2.154	50	0		CEAAMM
CCCc1cc(=O)[n-]c(SCc2ccon2)n1	ZINC000078708451	177374202	/nfs/dbraw/zinc/37/42/02/177374202.db2.gz	SAGOIKXPPLHLIN-UHFFFAOYSA-N	-1	1	251.311	2.003	50	0		CEAAMM
C[C@H]1CO[C@H](c2ccccc2)CN1CCCC(=O)[O-]	ZINC000116391605	228059167	/nfs/dbraw/zinc/05/91/67/228059167.db2.gz	YVXHYCNDLGWXBI-JSGCOSHPSA-N	-1	1	263.337	2.313	50	0		CEAAMM
COc1cc(N)ccc1[N-]S(=O)(=O)c1ccc(C)cc1	ZINC000000264422	277380734	/nfs/dbraw/zinc/38/07/34/277380734.db2.gz	KFTLMBGJFKKROB-UHFFFAOYSA-N	-1	1	292.360	2.387	50	0		CEAAMM
CCCCCN1CC(=O)N[C@@H]1c1cc(F)c([O-])c(F)c1	ZINC000096499993	528182969	/nfs/dbraw/zinc/18/29/69/528182969.db2.gz	CEBRECVRFYHODR-AWEZNQCLSA-N	-1	1	284.306	2.291	50	0		CEAAMM
Cc1cc(=O)[n-]c(SCC(=O)c2ccc(F)cc2F)n1	ZINC000005044944	627383423	/nfs/dbraw/zinc/38/34/23/627383423.db2.gz	SXJNOLHAFIEPPN-UHFFFAOYSA-N	-1	1	296.298	2.332	50	0		CEAAMM
CC(C)C[C@@H](CO)[N-]S(=O)(=O)c1cc2ccccc2o1	ZINC000097020662	185152819	/nfs/dbraw/zinc/15/28/19/185152819.db2.gz	YTOQINQGRIONTC-LBPRGKRZSA-N	-1	1	297.376	2.118	50	0		CEAAMM
CCSc1ccc(Cl)cc1C(=O)Nc1nnn[n-]1	ZINC000084299691	539503604	/nfs/dbraw/zinc/50/36/04/539503604.db2.gz	SEPKLQOAWRQPLP-UHFFFAOYSA-N	-1	1	283.744	2.217	50	0		CEAAMM
CCSc1ccc(Cl)cc1C(=O)Nc1nn[n-]n1	ZINC000084299691	539503609	/nfs/dbraw/zinc/50/36/09/539503609.db2.gz	SEPKLQOAWRQPLP-UHFFFAOYSA-N	-1	1	283.744	2.217	50	0		CEAAMM
CO[C@]1(C)C[C@H](N(C)C(=O)c2ncccc2[O-])C1(C)C	ZINC000128710578	187386149	/nfs/dbraw/zinc/38/61/49/187386149.db2.gz	KFLPQKHHWNBPRR-XHDPSFHLSA-N	-1	1	278.352	2.063	50	0		CEAAMM
O=S(=O)(Oc1ccccc1C(F)(F)F)c1c[n-]cn1	ZINC000069811163	363004360	/nfs/dbraw/zinc/00/43/60/363004360.db2.gz	DJZYQRDUTVDSOU-UHFFFAOYSA-N	-1	1	292.238	2.196	50	0		CEAAMM
O=C(NCc1ccccc1)c1cc2ccc([O-])cc2oc1=O	ZINC000000613142	361189893	/nfs/dbraw/zinc/18/98/93/361189893.db2.gz	UHTZLPCUVMTDER-UHFFFAOYSA-N	-1	1	295.294	2.429	50	0		CEAAMM
CCOc1c(C=C2SC(=O)[N-]C2=O)cccc1OC	ZINC000001012932	361196023	/nfs/dbraw/zinc/19/60/23/361196023.db2.gz	UHSSIFSJTLJJOD-JXMROGBWSA-N	-1	1	279.317	2.418	50	0		CEAAMM
Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)C(F)(F)F	ZINC000004085622	361299042	/nfs/dbraw/zinc/29/90/42/361299042.db2.gz	ZLCQGUINOMPKMH-SECBINFHSA-N	-1	1	275.226	2.189	50	0		CEAAMM
CCc1cc(=O)[n-]c(Nc2ccc(OC)c(OC)c2)n1	ZINC000011991406	361371577	/nfs/dbraw/zinc/37/15/77/361371577.db2.gz	IMFIVUBTHWGHEH-UHFFFAOYSA-N	-1	1	275.308	2.093	50	0		CEAAMM
CCC(CC)[N-]S(=O)(=O)c1cc(F)ccc1F	ZINC000013939741	361445058	/nfs/dbraw/zinc/44/50/58/361445058.db2.gz	DTBIMONUBAYRCX-UHFFFAOYSA-N	-1	1	263.309	2.432	50	0		CEAAMM
Cc1ccc(C(=O)[N-]n2cnc3ccccc3c2=O)s1	ZINC000014604735	361458157	/nfs/dbraw/zinc/45/81/57/361458157.db2.gz	ITUDZWGRAISNPZ-UHFFFAOYSA-N	-1	1	285.328	2.150	50	0		CEAAMM
Cc1cc(=O)[n-]c(SCC(=O)NC2CCCCCC2)n1	ZINC000015379035	361472420	/nfs/dbraw/zinc/47/24/20/361472420.db2.gz	PAXLRHJFKIAZBV-UHFFFAOYSA-N	-1	1	295.408	2.009	50	0		CEAAMM
Cc1nc(Nc2nc3c(c(=O)[n-]2)CCC3)nc2ccccc12	ZINC000018038371	361514206	/nfs/dbraw/zinc/51/42/06/361514206.db2.gz	QOPNCMPBNBPZEY-UHFFFAOYSA-N	-1	1	293.330	2.254	50	0		CEAAMM
Cc1ccccc1[C@@H]1CN(CCC(=O)[O-])[C@@H](C)CO1	ZINC000237707463	370746592	/nfs/dbraw/zinc/74/65/92/370746592.db2.gz	QUJPCAHGEZYQIO-JSGCOSHPSA-N	-1	1	263.337	2.232	50	0		CEAAMM
N=c1[n-]nc([C@@H]2CCCN(Cc3cccc(F)c3)C2)o1	ZINC000585116377	367178706	/nfs/dbraw/zinc/17/87/06/367178706.db2.gz	SIDFNMPTAHAKEF-LLVKDONJSA-N	-1	1	276.315	2.001	50	0		CEAAMM
Cc1nn(C)cc1[C@@H](C)NC(=O)c1cc(F)ccc1[O-]	ZINC000175217690	368114359	/nfs/dbraw/zinc/11/43/59/368114359.db2.gz	DZGQNEOAICJTRT-MRVPVSSYSA-N	-1	1	277.299	2.064	50	0		CEAAMM
O=C([O-])c1ccc2c(n1)CCN(Cc1ccccc1)C2	ZINC000044136863	304254201	/nfs/dbraw/zinc/25/42/01/304254201.db2.gz	NCPNSYDXGVRYAJ-UHFFFAOYSA-N	-1	1	268.316	2.338	50	0		CEAAMM
Cc1noc(C(C)C)c1C(=O)[N-]c1nncs1	ZINC000021216346	394473960	/nfs/dbraw/zinc/47/39/60/394473960.db2.gz	XGCVHYLYBNJEOM-UHFFFAOYSA-N	-1	1	252.299	2.210	50	0		CEAAMM
CC[C@@H]1c2cccn2CCN1C(=O)c1ncccc1[O-]	ZINC000132189714	394925964	/nfs/dbraw/zinc/92/59/64/394925964.db2.gz	NKZRJUPYOYIZFT-LLVKDONJSA-N	-1	1	271.320	2.196	50	0		CEAAMM
CCn1c(CC(=O)Nc2cccc(OC)c2)n[n-]c1=S	ZINC000004739039	170008137	/nfs/dbraw/zinc/00/81/37/170008137.db2.gz	KIACJJNHNSIGQS-UHFFFAOYSA-N	-1	1	292.364	2.150	50	0		CEAAMM
O=C(Nc1nn[n-]n1)c1sc2ccccc2c1Cl	ZINC000004997280	170052312	/nfs/dbraw/zinc/05/23/12/170052312.db2.gz	QAKMHRVEFACHMO-UHFFFAOYSA-N	-1	1	279.712	2.320	50	0		CEAAMM
CCn1c(CNC(=O)c2ccccc2C)n[n-]c1=S	ZINC000005445061	170099775	/nfs/dbraw/zinc/09/97/75/170099775.db2.gz	GYUJLDUIIFZTLB-UHFFFAOYSA-N	-1	1	276.365	2.199	50	0		CEAAMM
CCCc1cc(=O)[n-]c(Nc2ccc3c(c2)OCO3)n1	ZINC000005625393	170121492	/nfs/dbraw/zinc/12/14/92/170121492.db2.gz	SFFTXCOUCYBWOI-UHFFFAOYSA-N	-1	1	273.292	2.195	50	0		CEAAMM
CC(C)Oc1ccccc1-c1n[nH]c(SCC(=O)[O-])n1	ZINC000006492345	170206158	/nfs/dbraw/zinc/20/61/58/170206158.db2.gz	PKQRPTBQWYLOJD-UHFFFAOYSA-N	-1	1	293.348	2.436	50	0		CEAAMM
Nc1cc(=O)[n-]c(SCc2c(F)cccc2Cl)n1	ZINC000009361075	170373717	/nfs/dbraw/zinc/37/37/17/170373717.db2.gz	JZODYWWYESAXTD-UHFFFAOYSA-N	-1	1	285.731	2.437	50	0		CEAAMM
Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1cc(C)ccc1F	ZINC000010109457	170397832	/nfs/dbraw/zinc/39/78/32/170397832.db2.gz	JSPLHRMDOZMOBQ-UHFFFAOYSA-N	-1	1	283.328	2.275	50	0		CEAAMM
O=C(CC1CCCC1)NCc1n[n-]c(=S)n1C1CC1	ZINC000078502636	177347637	/nfs/dbraw/zinc/34/76/37/177347637.db2.gz	UJOHVTJZSJAMIX-UHFFFAOYSA-N	-1	1	280.397	2.472	50	0		CEAAMM
CC(C)Cn1c(=O)c2ccc(C(=O)[O-])cc2[nH]c1=S	ZINC000005827608	279251609	/nfs/dbraw/zinc/25/16/09/279251609.db2.gz	KARRMKIQVJGJSZ-UHFFFAOYSA-N	-1	1	278.333	2.413	50	0		CEAAMM
O=C(Nn1c(=S)[n-]c2ccccc2c1=O)c1ccccc1	ZINC000102228972	280070259	/nfs/dbraw/zinc/07/02/59/280070259.db2.gz	MWEHRZUWGVSUKC-UHFFFAOYSA-N	-1	1	297.339	2.069	50	0		CEAAMM
O=C1[N-]C(=S)SC1=C1C(=O)Nc2ccccc21	ZINC000017194628	280303572	/nfs/dbraw/zinc/30/35/72/280303572.db2.gz	XPEAIZNYDZKSOI-FPLPWBNLSA-N	-1	1	262.315	2.338	50	0		CEAAMM
Cc1cnn([C@@H](C)CNC(=O)c2ccc(F)c([O-])c2)c1	ZINC000534675219	328347261	/nfs/dbraw/zinc/34/72/61/328347261.db2.gz	VGNYBTIBPVHINL-JTQLQIEISA-N	-1	1	277.299	2.027	50	0		CEAAMM
CCOc1ccc(NC(=O)c2cc(Cl)nc(=O)[n-]2)cc1	ZINC000014134833	521115756	/nfs/dbraw/zinc/11/57/56/521115756.db2.gz	SKVAATGXAKOLLA-UHFFFAOYSA-N	-1	1	293.710	2.074	50	0		CEAAMM
Cc1cc([C@H]2CCCN2C(=O)c2ncccc2[O-])on1	ZINC000222860776	230398828	/nfs/dbraw/zinc/39/88/28/230398828.db2.gz	QHZCCHDGKFIEFT-SNVBAGLBSA-N	-1	1	273.292	2.061	50	0		CEAAMM
O=C(Nc1ccc(Cl)cc1[O-])c1csnn1	ZINC000095976261	185050710	/nfs/dbraw/zinc/05/07/10/185050710.db2.gz	CVSFCAIYSABTMZ-UHFFFAOYSA-N	-1	1	255.686	2.149	50	0		CEAAMM
O=C(Nc1ccc([O-])c(Cl)c1)[C@@H]1CCn2ccnc2C1	ZINC000096004004	185062432	/nfs/dbraw/zinc/06/24/32/185062432.db2.gz	NVJMVGWHMKPGHB-SECBINFHSA-N	-1	1	291.738	2.443	50	0		CEAAMM
Cn1nc(C2CCCC2)cc1NC(=O)c1cncc([O-])c1	ZINC000096006720	185062866	/nfs/dbraw/zinc/06/28/66/185062866.db2.gz	DUQDLYHEBQQETL-UHFFFAOYSA-N	-1	1	286.335	2.431	50	0		CEAAMM
O=C([O-])[C@@H]1CCCN(Cc2cn3cc(Cl)ccc3n2)C1	ZINC000035083954	361808220	/nfs/dbraw/zinc/80/82/20/361808220.db2.gz	GRXMTEBBNNOHOG-SNVBAGLBSA-N	-1	1	293.754	2.284	50	0		CEAAMM
CCOC(=O)C(=C(C)[O-])c1c(F)c(F)ccc1[N+](=O)[O-]	ZINC000095642826	344237532	/nfs/dbraw/zinc/23/75/32/344237532.db2.gz	MUADLTCJSNZNAN-VIFPVBQESA-N	-1	1	287.218	2.109	50	0		CEAAMM
CCC([O-])=C1C(=O)CC(C)(C)[C@H](c2cc(C)no2)C1=O	ZINC000102785149	344251630	/nfs/dbraw/zinc/25/16/30/344251630.db2.gz	YNZPZAVFSMVKPA-CHWSQXEVSA-N	-1	1	277.320	2.230	50	0		CEAAMM
CCC(=O)C1=C([O-])CC(C)(C)[C@H](c2cc(C)no2)C1=O	ZINC000102785149	344251631	/nfs/dbraw/zinc/25/16/31/344251631.db2.gz	YNZPZAVFSMVKPA-CHWSQXEVSA-N	-1	1	277.320	2.230	50	0		CEAAMM
CC(C)c1ccc2nc(-c3cnn(C)c3)[n-]c(=O)c2c1	ZINC000057771726	362595259	/nfs/dbraw/zinc/59/52/59/362595259.db2.gz	PBXTZAXHOSQNKI-UHFFFAOYSA-N	-1	1	268.320	2.447	50	0		CEAAMM
CCC[C@H]1COCCN1Cc1ccc(C(=O)[O-])cc1	ZINC000065408818	362818822	/nfs/dbraw/zinc/81/88/22/362818822.db2.gz	RPTSFWZXNZEQJL-AWEZNQCLSA-N	-1	1	263.337	2.386	50	0		CEAAMM
[O-]c1cnc(Br)c(I)c1	ZINC000071254768	363109814	/nfs/dbraw/zinc/10/98/14/363109814.db2.gz	SWETXSHOZHMDJB-UHFFFAOYSA-N	-1	1	299.893	2.154	50	0		CEAAMM
O=S(=O)([N-]c1ccc2nc[nH]c2c1)c1cccs1	ZINC000074819976	363398518	/nfs/dbraw/zinc/39/85/18/363398518.db2.gz	ZHSHTPXQEOTRGQ-UHFFFAOYSA-N	-1	1	279.346	2.425	50	0		CEAAMM
CC(C)Cc1ccc([C@@H](C)C(=O)Nc2nnn[n-]2)cc1	ZINC000079501266	363610317	/nfs/dbraw/zinc/61/03/17/363610317.db2.gz	WRIQDMAKVSDRET-SNVBAGLBSA-N	-1	1	273.340	2.140	50	0		CEAAMM
CC(C)Cc1ccc([C@@H](C)C(=O)Nc2nn[n-]n2)cc1	ZINC000079501266	363610321	/nfs/dbraw/zinc/61/03/21/363610321.db2.gz	WRIQDMAKVSDRET-SNVBAGLBSA-N	-1	1	273.340	2.140	50	0		CEAAMM
Cc1ccc(NC(=O)c2cc3ccc([O-])cc3oc2=O)nc1	ZINC000000418554	361172480	/nfs/dbraw/zinc/17/24/80/361172480.db2.gz	MCKJYRXOCOOFQT-UHFFFAOYSA-N	-1	1	296.282	2.454	50	0		CEAAMM
O=C1[N-]C(=S)NC1=Cc1cccc(Cl)c1Cl	ZINC000000439363	361174879	/nfs/dbraw/zinc/17/48/79/361174879.db2.gz	CJTIZIQHLKDVIS-QPJJXVBHSA-N	-1	1	273.144	2.339	50	0		CEAAMM
CSc1nnc(NC(=O)c2ccccc2[O-])s1	ZINC000000552936	361186453	/nfs/dbraw/zinc/18/64/53/361186453.db2.gz	QGXWUKVLTKPKQB-UHFFFAOYSA-N	-1	1	267.335	2.218	50	0		CEAAMM
COc1ccc(Nc2nc3c(c(=O)[n-]2)CCC3)cc1OC	ZINC000011991344	361371385	/nfs/dbraw/zinc/37/13/85/361371385.db2.gz	NKLKAKDTYJCBCE-UHFFFAOYSA-N	-1	1	287.319	2.019	50	0		CEAAMM
Nc1cc(=O)[n-]c(SCCSc2ccc(F)cc2)n1	ZINC000013113951	361419507	/nfs/dbraw/zinc/41/95/07/361419507.db2.gz	WGWISOKXPSBNRO-UHFFFAOYSA-N	-1	1	297.380	2.376	50	0		CEAAMM
Cc1cc(C)n2[n-]c(=O)c(Cc3cccs3)c2n1	ZINC000017173067	361505844	/nfs/dbraw/zinc/50/58/44/361505844.db2.gz	CJTYGRAGKGOLJG-UHFFFAOYSA-N	-1	1	259.334	2.292	50	0		CEAAMM
CCC[C@@H](NC(=O)c1cc(C)ccc1C)c1nn[n-]n1	ZINC000089949629	364022593	/nfs/dbraw/zinc/02/25/93/364022593.db2.gz	RICIZEXBXKOBRZ-GFCCVEGCSA-N	-1	1	273.340	2.088	50	0		CEAAMM
Cn1ccnc1CN1CCC[C@H](c2ccc(C(=O)[O-])cc2)C1	ZINC000095379910	364351594	/nfs/dbraw/zinc/35/15/94/364351594.db2.gz	KHKPMFDZLTYULB-HNNXBMFYSA-N	-1	1	299.374	2.498	50	0		CEAAMM
O=C(c1ncccc1[O-])N1CCC[C@H]1COc1ccccc1	ZINC000097102437	364449920	/nfs/dbraw/zinc/44/99/20/364449920.db2.gz	ZSWKLNMKLGQKRX-ZDUSSCGKSA-N	-1	1	298.342	2.471	50	0		CEAAMM
CCCC[C@@H](CC(=O)[O-])NC(=O)c1[nH]nc(C)c1Cl	ZINC000426667342	377427163	/nfs/dbraw/zinc/42/71/63/377427163.db2.gz	AJXJMNPPNPAYJY-QMMMGPOBSA-N	-1	1	287.747	2.135	50	0		CEAAMM
Nc1cc(Br)c([O-])c(Br)c1	ZINC000000389492	295347713	/nfs/dbraw/zinc/34/77/13/295347713.db2.gz	HFYPXERYZGFDBD-UHFFFAOYSA-N	-1	1	266.920	2.499	50	0		CEAAMM
O=C(CSCc1cc(=O)[nH][n-]1)Nc1ccc(F)cc1	ZINC000004317851	256844823	/nfs/dbraw/zinc/84/48/23/256844823.db2.gz	YPGQIKIRNRXJDK-UHFFFAOYSA-N	-1	1	281.312	2.126	50	0		CEAAMM
CCOc1ccc(C=C2SC(=O)[N-]C2=O)cc1OC	ZINC000001013907	169685910	/nfs/dbraw/zinc/68/59/10/169685910.db2.gz	MAMNNWYEJUTSDJ-YRNVUSSQSA-N	-1	1	279.317	2.418	50	0		CEAAMM
COc1ccc(C(=O)Nc2cnccc2OC)c([O-])c1	ZINC000131398169	533350543	/nfs/dbraw/zinc/35/05/43/533350543.db2.gz	KBAXEYALIQZCKE-UHFFFAOYSA-N	-1	1	274.276	2.057	50	0		CEAAMM
O=C([O-])[C@@H]1CCCN(C(=O)c2cc(-c3ccccc3)[nH]n2)C1	ZINC000261809170	131170561	/nfs/dbraw/zinc/17/05/61/131170561.db2.gz	ZNFBZTYYRWNDNB-GFCCVEGCSA-N	-1	1	299.330	2.014	50	0		CEAAMM
[O-][C@@]1(C(F)(F)F)CC(c2cc(Cl)ccc2O)=NO1	ZINC000000061013	394447878	/nfs/dbraw/zinc/44/78/78/394447878.db2.gz	ORZLUVGDZFTZRM-VIFPVBQESA-N	-1	1	281.617	2.421	50	0		CEAAMM
C[C@H]1C[C@@H]1c1[n-]n(C)c(=N)c1-c1ccc2c(c1)OCO2	ZINC000102629165	400255295	/nfs/dbraw/zinc/25/52/95/400255295.db2.gz	YGAGBPXQNKOMIJ-WPRPVWTQSA-N	-1	1	271.320	2.352	50	0		CEAAMM
Cn1c(CC(=O)Nc2ccccc2Cl)n[n-]c1=S	ZINC000004735928	170007483	/nfs/dbraw/zinc/00/74/83/170007483.db2.gz	OFFBGFSYRJJJIK-UHFFFAOYSA-N	-1	1	282.756	2.312	50	0		CEAAMM
Cc1cc(=O)[n-]c(Nc2cccc(C(=O)OC(C)C)c2)n1	ZINC000005183573	170074400	/nfs/dbraw/zinc/07/44/00/170074400.db2.gz	XVRNIXLGPZNIHX-UHFFFAOYSA-N	-1	1	287.319	2.387	50	0		CEAAMM
CCCOC(=O)c1cccc(Nc2nc(C)cc(=O)[n-]2)c1	ZINC000005886035	170150440	/nfs/dbraw/zinc/15/04/40/170150440.db2.gz	XFQIGTFGXGOZLG-UHFFFAOYSA-N	-1	1	287.319	2.389	50	0		CEAAMM
O=C(Nc1ccccc1)[C@@H](Cc1cccs1)c1nn[n-]n1	ZINC000006557668	170213120	/nfs/dbraw/zinc/21/31/20/170213120.db2.gz	JDTAONBRPDCJQF-LBPRGKRZSA-N	-1	1	299.359	2.226	50	0		CEAAMM
O=C(NCCCn1ccnc1)c1ccc(Cl)cc1[O-]	ZINC000020304364	171141109	/nfs/dbraw/zinc/14/11/09/171141109.db2.gz	XRCXKHGGSOADOB-UHFFFAOYSA-N	-1	1	279.727	2.062	50	0		CEAAMM
O=C([O-])[C@H]1CCCN(Cc2ccc(Cl)nc2)C1	ZINC000022637494	171395401	/nfs/dbraw/zinc/39/54/01/171395401.db2.gz	WWUKAPRRWHAJNW-JTQLQIEISA-N	-1	1	254.717	2.032	50	0		CEAAMM
C[C@@H](NC(=O)CCCc1ccc(Cl)cc1)c1nn[n-]n1	ZINC000077459072	177271051	/nfs/dbraw/zinc/27/10/51/177271051.db2.gz	ORLMINCMJNTIRG-SECBINFHSA-N	-1	1	293.758	2.053	50	0		CEAAMM
COc1cc2c(cc1C=C1SC(=O)[N-]C1=O)O[C@H](C)C2	ZINC000008772465	277391135	/nfs/dbraw/zinc/39/11/35/277391135.db2.gz	ZNRWVGTWZUQCTM-WCLCAVJRSA-N	-1	1	291.328	2.343	50	0		CEAAMM
Cc1nc(Nc2nc3ccccc3o2)[n-]c(=O)c1C	ZINC000008916035	293343932	/nfs/dbraw/zinc/34/39/32/293343932.db2.gz	ZEBWNRSUZYLWAE-UHFFFAOYSA-N	-1	1	256.265	2.272	50	0		CEAAMM
Nc1cc(-c2ccco2)nn1-c1nc2c(c(=O)[n-]1)CCCC2	ZINC000038486278	361986735	/nfs/dbraw/zinc/98/67/35/361986735.db2.gz	UECHXXKNNKZEHS-UHFFFAOYSA-N	-1	1	297.318	2.089	50	0		CEAAMM
C[C@@H]1CN(CCCC(=O)[O-])C[C@H](c2ccsc2)O1	ZINC000131596252	366069945	/nfs/dbraw/zinc/06/99/45/366069945.db2.gz	FRBGXYYTQFQZQG-ZYHUDNBSSA-N	-1	1	269.366	2.375	50	0		CEAAMM
COc1ccc2c(c1)O[C@](O)(C(F)(F)C(F)F)C=C2[O-]	ZINC000000185400	361142722	/nfs/dbraw/zinc/14/27/22/361142722.db2.gz	AOLCPXRGICDDCR-NSHDSACASA-N	-1	1	294.200	2.249	50	0		CEAAMM
Cn1cnc2cc([N-]S(=O)(=O)c3ccccc3)ccc21	ZINC000000535385	361184323	/nfs/dbraw/zinc/18/43/23/361184323.db2.gz	GZCLRDVUXLWIQB-UHFFFAOYSA-N	-1	1	287.344	2.374	50	0		CEAAMM
O=C1[N-]C(=S)NC1=Cc1ccc(Cl)c(Cl)c1	ZINC000001865288	361223518	/nfs/dbraw/zinc/22/35/18/361223518.db2.gz	SZLGETBWNTYETJ-XBXARRHUSA-N	-1	1	273.144	2.339	50	0		CEAAMM
O=C1[N-]C(=S)NC1=Cc1cccc(C(F)(F)F)c1	ZINC000002925957	361259149	/nfs/dbraw/zinc/25/91/49/361259149.db2.gz	KZHLEYYJCNWLMW-YVMONPNESA-N	-1	1	272.251	2.051	50	0		CEAAMM
Cc1c2ccc([O-])cc2oc(=O)c1CCC(=O)NC1CC1	ZINC000004084793	361298653	/nfs/dbraw/zinc/29/86/53/361298653.db2.gz	LETKKDJDILSMMC-UHFFFAOYSA-N	-1	1	287.315	2.018	50	0		CEAAMM
CCC(=O)Nc1ccc(-c2n[n-]c(=S)n2C)cc1	ZINC000004690568	361327345	/nfs/dbraw/zinc/32/73/45/361327345.db2.gz	FWOURYDCGMLKBZ-UHFFFAOYSA-N	-1	1	262.338	2.493	50	0		CEAAMM
S=c1[n-]nc([C@@H]2COc3ccccc3O2)s1	ZINC000013724153	361438433	/nfs/dbraw/zinc/43/84/33/361438433.db2.gz	LVIDVQOAXOINPT-QMMMGPOBSA-N	-1	1	252.320	2.339	50	0		CEAAMM
COc1cc(=O)[n-]c(SCc2ccc(F)cc2)n1	ZINC000016183273	361484468	/nfs/dbraw/zinc/48/44/68/361484468.db2.gz	NYUMWXOPQRGDMB-UHFFFAOYSA-N	-1	1	266.297	2.210	50	0		CEAAMM
O=C(COC(=O)C1CCCC1)c1ccc([O-])cc1O	ZINC000018265460	361518702	/nfs/dbraw/zinc/51/87/02/361518702.db2.gz	UPALCLZTVPDFHS-UHFFFAOYSA-N	-1	1	264.277	2.014	50	0		CEAAMM
Cc1cc(C(=O)[N-]c2nnc(CC(C)C)s2)no1	ZINC000022918673	361590773	/nfs/dbraw/zinc/59/07/73/361590773.db2.gz	OIONGGSTJRIBPS-UHFFFAOYSA-N	-1	1	266.326	2.285	50	0		CEAAMM
O=C(Nc1nnn[n-]1)[C@@H]1C[C@H]1c1ccc2ccccc2c1	ZINC000089878747	364011842	/nfs/dbraw/zinc/01/18/42/364011842.db2.gz	KBFXKOADVNAKOQ-QWHCGFSZSA-N	-1	1	279.303	2.095	50	0		CEAAMM
O=C(Nc1nn[n-]n1)[C@@H]1C[C@H]1c1ccc2ccccc2c1	ZINC000089878747	364011847	/nfs/dbraw/zinc/01/18/47/364011847.db2.gz	KBFXKOADVNAKOQ-QWHCGFSZSA-N	-1	1	279.303	2.095	50	0		CEAAMM
O=C(Nc1nnn[n-]1)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl	ZINC000095393145	364356592	/nfs/dbraw/zinc/35/65/92/364356592.db2.gz	GWKZPBBIGROEFZ-YUMQZZPRSA-N	-1	1	298.133	2.249	50	0		CEAAMM
O=C(Nc1nn[n-]n1)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl	ZINC000095393145	364356602	/nfs/dbraw/zinc/35/66/02/364356602.db2.gz	GWKZPBBIGROEFZ-YUMQZZPRSA-N	-1	1	298.133	2.249	50	0		CEAAMM
Cc1cc(S(=O)(=O)[N-]c2c(F)cccc2CO)c(C)o1	ZINC000095988617	364396099	/nfs/dbraw/zinc/39/60/99/364396099.db2.gz	NTDUWHGJXQYPNQ-UHFFFAOYSA-N	-1	1	299.323	2.329	50	0		CEAAMM
O=C([N-]c1c2nsnc2ccc1Cl)c1cnsn1	ZINC000097037685	364426963	/nfs/dbraw/zinc/42/69/63/364426963.db2.gz	JUDNBEMZOKDPAA-UHFFFAOYSA-N	-1	1	297.752	2.449	50	0		CEAAMM
COc1cc(C(=O)NCCc2ccc[nH]2)cc(Cl)c1[O-]	ZINC000097377898	364496350	/nfs/dbraw/zinc/49/63/50/364496350.db2.gz	ODYQBBHBGAVVLT-UHFFFAOYSA-N	-1	1	294.738	2.355	50	0		CEAAMM
O=C([O-])C1CN(Cc2cnc(-c3ccccc3)s2)C1	ZINC000244787579	370800029	/nfs/dbraw/zinc/80/00/29/370800029.db2.gz	PZRAIGQOKMGDOY-UHFFFAOYSA-N	-1	1	274.345	2.327	50	0		CEAAMM
O=C(Nc1nnn[n-]1)c1ccc(C(F)(F)F)cc1Cl	ZINC000181388522	368450018	/nfs/dbraw/zinc/45/00/18/368450018.db2.gz	UFJDMYBJPCAHNS-UHFFFAOYSA-N	-1	1	291.620	2.124	50	0		CEAAMM
O=C(Nc1nn[n-]n1)c1ccc(C(F)(F)F)cc1Cl	ZINC000181388522	368450022	/nfs/dbraw/zinc/45/00/22/368450022.db2.gz	UFJDMYBJPCAHNS-UHFFFAOYSA-N	-1	1	291.620	2.124	50	0		CEAAMM
CC[C@@H](C(=O)[O-])N1CCO[C@H](c2ccc(F)c(F)c2)C1	ZINC000191416358	369710785	/nfs/dbraw/zinc/71/07/85/369710785.db2.gz	ZROLMEVYKDIDBK-STQMWFEESA-N	-1	1	285.290	2.201	50	0		CEAAMM
Cn1ncc2c1CCCC2N=Nc1ccc(C(=O)[O-])cc1	ZINC000252474289	371440336	/nfs/dbraw/zinc/44/03/36/371440336.db2.gz	AHGXAZQWCSOYEO-UHFFFAOYSA-N	-1	1	284.319	2.271	50	0		CEAAMM
O=C(c1ncccc1[O-])N1CCS[C@H]2CCCC[C@@H]21	ZINC000097102410	296306131	/nfs/dbraw/zinc/30/61/31/296306131.db2.gz	WSHQTTULAVNGNE-JQWIXIFHSA-N	-1	1	278.377	2.287	50	0		CEAAMM
CC[C@@H](CC1CCCCC1)C(=O)Nc1nnn[n-]1	ZINC000096412523	394683848	/nfs/dbraw/zinc/68/38/48/394683848.db2.gz	FPJSOSUQCLLIRA-JTQLQIEISA-N	-1	1	251.334	2.135	50	0		CEAAMM
CC[C@@H](CC1CCCCC1)C(=O)Nc1nn[n-]n1	ZINC000096412523	394683853	/nfs/dbraw/zinc/68/38/53/394683853.db2.gz	FPJSOSUQCLLIRA-JTQLQIEISA-N	-1	1	251.334	2.135	50	0		CEAAMM
CC(C)CC(=O)n1c([S-])nc2ccccc2c1=O	ZINC000100258282	394703966	/nfs/dbraw/zinc/70/39/66/394703966.db2.gz	WASOHPSLHIDKJK-UHFFFAOYSA-N	-1	1	262.334	2.372	50	0		CEAAMM
CC(C)CC(=O)n1c([O-])c2ccccc2nc1=S	ZINC000100258282	394703968	/nfs/dbraw/zinc/70/39/68/394703968.db2.gz	WASOHPSLHIDKJK-UHFFFAOYSA-N	-1	1	262.334	2.372	50	0		CEAAMM
Cc1cc(=O)[n-]c(Sc2nnc(C)c3ccccc32)n1	ZINC000004920648	170041179	/nfs/dbraw/zinc/04/11/79/170041179.db2.gz	BSNLRNKHWPXYJS-UHFFFAOYSA-N	-1	1	284.344	2.481	50	0		CEAAMM
O=C(c1ccc(Br)cc1[O-])N1CCCC1	ZINC000044490187	175180428	/nfs/dbraw/zinc/18/04/28/175180428.db2.gz	MIZMJSZYXOAIBU-UHFFFAOYSA-N	-1	1	270.126	2.391	50	0		CEAAMM
O=C1[N-]C(=S)NC1=Cc1ccc(C(F)(F)F)cc1	ZINC000000185675	280281147	/nfs/dbraw/zinc/28/11/47/280281147.db2.gz	DJGCCCQCAGKOLL-VMPITWQZSA-N	-1	1	272.251	2.051	50	0		CEAAMM
CC(C)(C)OC(=O)NCCC(=O)[N-]Oc1ccccc1	ZINC000408516063	526450649	/nfs/dbraw/zinc/45/06/49/526450649.db2.gz	IUPNIMWKYAIHMQ-UHFFFAOYSA-N	-1	1	280.324	2.011	50	0		CEAAMM
COCC1(CNC(=O)c2c([O-])cccc2F)CCCC1	ZINC000220578770	230397511	/nfs/dbraw/zinc/39/75/11/230397511.db2.gz	WYHQYPDDVXUBFW-UHFFFAOYSA-N	-1	1	281.327	2.468	50	0		CEAAMM
CCC[C@H](NCC(=O)N1CCC[C@H]2CCCC[C@@H]21)C(=O)[O-]	ZINC000036839830	361864986	/nfs/dbraw/zinc/86/49/86/361864986.db2.gz	CPKWGUMRLDGFFO-RDBSUJKOSA-N	-1	1	296.411	2.011	50	0		CEAAMM
CC(NCCCCCC#N)=C1SC(=S)[N-]C1=O	ZINC000038166747	361985397	/nfs/dbraw/zinc/98/53/97/361985397.db2.gz	MQGQNHXXGUMFFP-CMDGGOBGSA-N	-1	1	269.395	2.039	50	0		CEAAMM
Cc1cccc(NC(=O)c2c(C)[nH]c(=O)[n-]c2=S)c1	ZINC000005728668	343354409	/nfs/dbraw/zinc/35/44/09/343354409.db2.gz	FMDKKEZUASSEGZ-UHFFFAOYSA-N	-1	1	275.333	2.302	50	0		CEAAMM
CCc1c(C)sc2ncnc(N[C@H](C)c3nn[n-]n3)c12	ZINC000065436193	362823191	/nfs/dbraw/zinc/82/31/91/362823191.db2.gz	NXFWWWIWWURTSJ-ZCFIWIBFSA-N	-1	1	289.368	2.248	50	0		CEAAMM
Cc1noc(C)c1C(=O)[N-]c1nnc([C@@H]2CCCO2)s1	ZINC000079487418	363607514	/nfs/dbraw/zinc/60/75/14/363607514.db2.gz	HMQBSVQFESBDGQ-QMMMGPOBSA-N	-1	1	294.336	2.247	50	0		CEAAMM
O=C([O-])c1ccc(NS(=O)(=O)c2ccccc2F)cc1	ZINC000000074641	361123791	/nfs/dbraw/zinc/12/37/91/361123791.db2.gz	HADUKEXPXYPMIY-UHFFFAOYSA-N	-1	1	295.291	2.325	50	0		CEAAMM
COc1ccc(Nc2nc3c(c(=O)[n-]2)CCC3)cc1	ZINC000011991310	361371298	/nfs/dbraw/zinc/37/12/98/361371298.db2.gz	QUILYVMKZCAOIJ-UHFFFAOYSA-N	-1	1	257.293	2.011	50	0		CEAAMM
Nc1cc(=O)[n-]c(SCCCOc2ccc(F)cc2)n1	ZINC000016527145	361490914	/nfs/dbraw/zinc/49/09/14/361490914.db2.gz	GACQEBWIBQZAMY-UHFFFAOYSA-N	-1	1	295.339	2.052	50	0		CEAAMM
CC(C)(C)c1cc(CN2CCCC[C@@H]2C(=O)[O-])n[nH]1	ZINC000244840354	370801666	/nfs/dbraw/zinc/80/16/66/370801666.db2.gz	ULIZXSJUTWYZLD-LLVKDONJSA-N	-1	1	265.357	2.146	50	0		CEAAMM
CC(C)OCCN(C)C(=O)c1ccc([O-])cc1F	ZINC000195569765	370142261	/nfs/dbraw/zinc/14/22/61/370142261.db2.gz	GHTJLDLYDJYJJR-UHFFFAOYSA-N	-1	1	255.289	2.028	50	0		CEAAMM
C[C@H]1CN(CCC(=O)[O-])C[C@H](c2ccc(F)cc2)O1	ZINC000252490418	371445266	/nfs/dbraw/zinc/44/52/66/371445266.db2.gz	KSZIQELDNOSZKV-GXFFZTMASA-N	-1	1	267.300	2.062	50	0		CEAAMM
Cc1cc(=O)n(-c2cccc(Br)c2)[n-]1	ZINC000002776119	291654707	/nfs/dbraw/zinc/65/47/07/291654707.db2.gz	BRQOIACBHRTNBZ-UHFFFAOYSA-N	-1	1	253.099	2.237	50	0		CEAAMM
C[C@@H](NCc1cccc([O-])c1Cl)c1nncn1C	ZINC000293460219	377576509	/nfs/dbraw/zinc/57/65/09/377576509.db2.gz	DCBXAASBKPSNGW-MRVPVSSYSA-N	-1	1	266.732	2.025	50	0		CEAAMM
COc1ccc(S(=O)(=O)c2ccc([O-])cc2)cc1	ZINC000001232833	169692302	/nfs/dbraw/zinc/69/23/02/169692302.db2.gz	VXHUUSKYUDVHOS-UHFFFAOYSA-N	-1	1	264.302	2.234	50	0		CEAAMM
O=C([O-])C[C@H](C(=O)Nc1ccc(Cl)cc1)N1CCCC1	ZINC000005063024	170062699	/nfs/dbraw/zinc/06/26/99/170062699.db2.gz	VQULQZZCGYFODD-GFCCVEGCSA-N	-1	1	296.754	2.218	50	0		CEAAMM
O=C(Nc1nnn[n-]1)C(=Cc1cccs1)c1ccccc1	ZINC000005771965	170139173	/nfs/dbraw/zinc/13/91/73/170139173.db2.gz	IZEXQKBGBIPTBO-FMIVXFBMSA-N	-1	1	297.343	2.441	50	0		CEAAMM
O=C(Nc1nn[n-]n1)C(=Cc1cccs1)c1ccccc1	ZINC000005771965	170139175	/nfs/dbraw/zinc/13/91/75/170139175.db2.gz	IZEXQKBGBIPTBO-FMIVXFBMSA-N	-1	1	297.343	2.441	50	0		CEAAMM
CCCCn1c2nnc([S-])n2c2ccccc2c1=O	ZINC000005869521	170149191	/nfs/dbraw/zinc/14/91/91/170149191.db2.gz	NURBAHNZLYZFMA-UHFFFAOYSA-N	-1	1	274.349	2.133	50	0		CEAAMM
O=C([O-])c1ccc(-n2c(-c3cnccn3)n[nH]c2=S)cc1	ZINC000005927135	170156563	/nfs/dbraw/zinc/15/65/63/170156563.db2.gz	JLSYTBJCWRCOBP-UHFFFAOYSA-N	-1	1	299.315	2.085	50	0		CEAAMM
Cc1cc([O-])c2c(C)c(CC(=O)NC(C)C)c(=O)oc2c1	ZINC000008491007	170337700	/nfs/dbraw/zinc/33/77/00/170337700.db2.gz	PFVNKDHYCTYPII-UHFFFAOYSA-N	-1	1	289.331	2.183	50	0		CEAAMM
CC(C)Cc1ccc(CNCc2n[nH]c(=O)[n-]2)s1	ZINC000952860216	815070235	/nfs/dbraw/zinc/07/02/35/815070235.db2.gz	IFJQFUNOBJBNKX-UHFFFAOYSA-N	-1	1	266.370	2.060	50	0		CEAAMM
O=C(c1cc(Cl)ccc1[O-])N1CCSCC1	ZINC000020257478	260116513	/nfs/dbraw/zinc/11/65/13/260116513.db2.gz	GYKVDWGBEFQFFN-UHFFFAOYSA-N	-1	1	257.742	2.235	50	0		CEAAMM
Cc1ccc(C)c(NC(=O)Cc2n[n-]c(=S)n2C)c1	ZINC000034925797	361796264	/nfs/dbraw/zinc/79/62/64/361796264.db2.gz	LWNGFTUBPFBMDC-UHFFFAOYSA-N	-1	1	276.365	2.276	50	0		CEAAMM
Cc1cc(=O)[n-]c(NN=Cc2ccc(OC(F)F)cc2)n1	ZINC000005588394	343354810	/nfs/dbraw/zinc/35/48/10/343354810.db2.gz	NSQJRLOQOPYSFD-UHFFFAOYSA-N	-1	1	294.261	2.126	50	0		CEAAMM
O=C1[C@@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)N1c1ccc(Cl)cc1[O-]	ZINC000230293028	344572069	/nfs/dbraw/zinc/57/20/69/344572069.db2.gz	PFERZIBEWWSAGE-PTYMLPSESA-N	-1	1	289.718	2.357	50	0		CEAAMM
NC(=O)[C@H]([N-]c1nc2ccccc2o1)c1ccccc1	ZINC000051592629	362432807	/nfs/dbraw/zinc/43/28/07/362432807.db2.gz	QIEKLKHDQPZUSP-CYBMUJFWSA-N	-1	1	267.288	2.466	50	0		CEAAMM
O=C(NO[C@@H]1CCCCO1)c1cc(Cl)ccc1[O-]	ZINC000058418220	362628240	/nfs/dbraw/zinc/62/82/40/362628240.db2.gz	PCNWOULCUBTWHC-LLVKDONJSA-N	-1	1	271.700	2.234	50	0		CEAAMM
COc1ccc(CN(C)Cc2ncccc2C(=O)[O-])cc1	ZINC000065372316	362811656	/nfs/dbraw/zinc/81/16/56/362811656.db2.gz	OURBTIPPSIGJQE-UHFFFAOYSA-N	-1	1	286.331	2.420	50	0		CEAAMM
Cn1c(=S)[n-]nc1-c1ccc2c(c1)OCCCO2	ZINC000076361558	282566284	/nfs/dbraw/zinc/56/62/84/282566284.db2.gz	DIXVECIAWIGXKG-UHFFFAOYSA-N	-1	1	263.322	2.306	50	0		CEAAMM
O=C([O-])Cc1sc(-c2cccc(Cl)c2)nc1O	ZINC000000151294	361136150	/nfs/dbraw/zinc/13/61/50/361136150.db2.gz	FHLYYJKNYWPGNE-QMMMGPOBSA-N	-1	1	269.709	2.203	50	0		CEAAMM
COc1cccc(OCC(=O)c2ccc([O-])cc2O)c1	ZINC000000487101	361179913	/nfs/dbraw/zinc/17/99/13/361179913.db2.gz	ZCHQGGGXYNOBNW-UHFFFAOYSA-N	-1	1	274.272	2.368	50	0		CEAAMM
CCCCOc1ccccc1/C=C1\NC(=S)[N-]C1=O	ZINC000002927136	361258554	/nfs/dbraw/zinc/25/85/54/361258554.db2.gz	LKRCREQVRNGHJK-LUAWRHEFSA-N	-1	1	276.361	2.211	50	0		CEAAMM
COC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2)c1	ZINC000012520952	361387180	/nfs/dbraw/zinc/38/71/80/361387180.db2.gz	XAKWXLVKPLFUHX-UHFFFAOYSA-N	-1	1	291.328	2.274	50	0		CEAAMM
Cc1ccc(C(=O)CSc2nccc(=O)[n-]2)cc1	ZINC000015379082	361472496	/nfs/dbraw/zinc/47/24/96/361472496.db2.gz	QSUPYWPJRCCWDH-UHFFFAOYSA-N	-1	1	260.318	2.053	50	0		CEAAMM
CCO[N-]C(=O)[C@@H]1CC(=O)N(c2cccc(C(C)C)c2)C1	ZINC000023021300	361591415	/nfs/dbraw/zinc/59/14/15/361591415.db2.gz	FBWQZRDKGNRFQO-CYBMUJFWSA-N	-1	1	290.363	2.231	50	0		CEAAMM
N=c1[n-]nc([C@H]2CCCN(Cc3cccc(F)c3)C2)o1	ZINC000585116378	367178987	/nfs/dbraw/zinc/17/89/87/367178987.db2.gz	SIDFNMPTAHAKEF-NSHDSACASA-N	-1	1	276.315	2.001	50	0		CEAAMM
COCCC1CCN(C(=O)c2ccc([O-])c(F)c2)CC1	ZINC000219686677	370226304	/nfs/dbraw/zinc/22/63/04/370226304.db2.gz	HRTLEYWLRIWUKJ-UHFFFAOYSA-N	-1	1	281.327	2.420	50	0		CEAAMM
COc1ccc(S(=O)(=O)[N-]c2ccccc2N)cc1	ZINC000009095061	170363520	/nfs/dbraw/zinc/36/35/20/170363520.db2.gz	DCILZFXMLGNOBT-UHFFFAOYSA-N	-1	1	278.333	2.078	50	0		CEAAMM
Cc1ccc(O)c(Nc2nc3c(c(=O)[n-]2)CCC3)c1	ZINC000011991357	170465079	/nfs/dbraw/zinc/46/50/79/170465079.db2.gz	FTRUPFNMEUELMD-UHFFFAOYSA-N	-1	1	257.293	2.016	50	0		CEAAMM
C[C@@]1(c2ccccc2)CN(CCCC(=O)[O-])CCO1	ZINC000131745417	289216433	/nfs/dbraw/zinc/21/64/33/289216433.db2.gz	GDANFYSCVVLCQQ-HNNXBMFYSA-N	-1	1	263.337	2.099	50	0		CEAAMM
CC[C@H](C(=O)[O-])N(C)Cc1c(F)c(F)ccc1OC	ZINC000534659073	328341826	/nfs/dbraw/zinc/34/18/26/328341826.db2.gz	FJGHKMQTKMQAJW-SNVBAGLBSA-N	-1	1	273.279	2.268	50	0		CEAAMM
C[C@H]1CN(CCCC(=O)[O-])[C@@H](c2ccccc2)CO1	ZINC000247546570	300254475	/nfs/dbraw/zinc/25/44/75/300254475.db2.gz	POLFKWBEZZEUSA-GXTWGEPZSA-N	-1	1	263.337	2.313	50	0		CEAAMM
CC(C)c1ccsc1C(=O)N(C)C[C@H](C)c1nn[n-]n1	ZINC000124043746	344312939	/nfs/dbraw/zinc/31/29/39/344312939.db2.gz	UXQVVAQCZKASKA-VIFPVBQESA-N	-1	1	293.396	2.260	50	0		CEAAMM
CSc1cccc(NC(=O)Cc2n[n-]c(=S)n2C)c1	ZINC000057340629	362578732	/nfs/dbraw/zinc/57/87/32/362578732.db2.gz	MWEDPSFYLMSPBZ-UHFFFAOYSA-N	-1	1	294.405	2.381	50	0		CEAAMM
Cn1ccc(NC(=O)c2cc(Br)ccc2[O-])n1	ZINC000057531673	362584595	/nfs/dbraw/zinc/58/45/95/362584595.db2.gz	VMQFLSWQVGLYBE-UHFFFAOYSA-N	-1	1	296.124	2.141	50	0		CEAAMM
CC(C)=CC[C@]1(C(=O)[O-])CCCN(Cc2ncc[nH]2)C1	ZINC000091381707	180144159	/nfs/dbraw/zinc/14/41/59/180144159.db2.gz	OPADETVUKLPONG-OAHLLOKOSA-N	-1	1	277.368	2.433	50	0		CEAAMM
C[C@H](Cc1ccc(O)cc1)N(C)C(=O)c1ncccc1[O-]	ZINC000132266860	366131529	/nfs/dbraw/zinc/13/15/29/366131529.db2.gz	ODBGPZDMMVLUMK-LLVKDONJSA-N	-1	1	286.331	2.196	50	0		CEAAMM
CC(C)NC(=O)c1cc(Br)ccc1[O-]	ZINC000000154750	361136061	/nfs/dbraw/zinc/13/60/61/361136061.db2.gz	DZLFXHWPSHPLDG-UHFFFAOYSA-N	-1	1	258.115	2.293	50	0		CEAAMM
O=S(=O)([N-]Cc1ccco1)c1ccc(F)c(F)c1F	ZINC000003324197	361274673	/nfs/dbraw/zinc/27/46/73/361274673.db2.gz	TYIVOALCDMFGKU-UHFFFAOYSA-N	-1	1	291.250	2.175	50	0		CEAAMM
O=C1[N-]C(=S)NC1=Cc1ccc2ccccc2c1	ZINC000002896905	361257930	/nfs/dbraw/zinc/25/79/30/361257930.db2.gz	TZDXWCXPMMMYIQ-WQLSENKSSA-N	-1	1	254.314	2.185	50	0		CEAAMM
CCCc1cc(=O)[n-]c(S[C@H](C)c2nc(C)no2)n1	ZINC000012820033	361401754	/nfs/dbraw/zinc/40/17/54/361401754.db2.gz	HPFSHFXWSBJUSS-SSDOTTSWSA-N	-1	1	280.353	2.267	50	0		CEAAMM
S=c1[n-]nc([C@H]2COc3ccccc3O2)s1	ZINC000013724156	361438660	/nfs/dbraw/zinc/43/86/60/361438660.db2.gz	LVIDVQOAXOINPT-MRVPVSSYSA-N	-1	1	252.320	2.339	50	0		CEAAMM
Cc1ccc(NC(=O)CCc2n[nH]c(=S)[n-]c2=O)cc1	ZINC000012998388	361415764	/nfs/dbraw/zinc/41/57/64/361415764.db2.gz	BNZQJHUUAPMREI-UHFFFAOYSA-N	-1	1	290.348	2.120	50	0		CEAAMM
C[C@@H](Sc1nccc(=O)[n-]1)C(=O)Nc1ccc(F)cc1	ZINC000017946326	361512390	/nfs/dbraw/zinc/51/23/90/361512390.db2.gz	UDYFCXLVUQOZDA-MRVPVSSYSA-N	-1	1	293.323	2.028	50	0		CEAAMM
COC(=O)c1ccnc(-c2nc3cc(F)ccc3c(=O)[n-]2)c1	ZINC000097085270	364444784	/nfs/dbraw/zinc/44/47/84/364444784.db2.gz	NPYPANIVANFLDQ-UHFFFAOYSA-N	-1	1	299.261	2.323	50	0		CEAAMM
CN(C(=O)c1ccc([O-])cc1F)c1nccs1	ZINC000097046093	364430524	/nfs/dbraw/zinc/43/05/24/364430524.db2.gz	UZQLHOGESKYODJ-UHFFFAOYSA-N	-1	1	252.270	2.264	50	0		CEAAMM
CC(C)Oc1ccc(-c2nnc(CCC(=O)[O-])[nH]2)cc1	ZINC000098133082	364535549	/nfs/dbraw/zinc/53/55/49/364535549.db2.gz	QTTANAFJXZBLJN-UHFFFAOYSA-N	-1	1	275.308	2.276	50	0		CEAAMM
C[C@H](Oc1ccccc1CN1CCSCC1)C(=O)[O-]	ZINC000215487860	370176986	/nfs/dbraw/zinc/17/69/86/370176986.db2.gz	GRMYDNIFBNFPGV-NSHDSACASA-N	-1	1	281.377	2.087	50	0		CEAAMM
CCOc1cc2c(cc1C[N@@H+](C)[C@H](C)C(=O)[O-])O[C@@H](C)C2	ZINC000226418787	370340851	/nfs/dbraw/zinc/34/08/51/370340851.db2.gz	ZHLDWJHGRRLFKN-WDEREUQCSA-N	-1	1	293.363	2.314	50	0		CEAAMM
COc1ccc(C([O-])=CC(=O)C(=O)Nc2ccccc2)cc1	ZINC000101354928	400250454	/nfs/dbraw/zinc/25/04/54/400250454.db2.gz	DKUUDVNVWFDYOW-UHFFFAOYSA-N	-1	1	297.310	2.476	50	0		CEAAMM
COc1ccc(C(=O)C=C([O-])C(=O)Nc2ccccc2)cc1	ZINC000101354928	400250460	/nfs/dbraw/zinc/25/04/60/400250460.db2.gz	DKUUDVNVWFDYOW-UHFFFAOYSA-N	-1	1	297.310	2.476	50	0		CEAAMM
COc1cc(-c2n[n-]c(=S)n2C)cc(OC)c1OC	ZINC000002518741	169800926	/nfs/dbraw/zinc/80/09/26/169800926.db2.gz	KZMMIESIWSAKOO-UHFFFAOYSA-N	-1	1	281.337	2.170	50	0		CEAAMM
COc1ccc(C(=O)CSc2nc(C)cc(=O)[n-]2)cc1	ZINC000008632101	170343613	/nfs/dbraw/zinc/34/36/13/170343613.db2.gz	PYEQFDZBEVPXJY-UHFFFAOYSA-N	-1	1	290.344	2.062	50	0		CEAAMM
O=c1ccnc(S[C@@H]2CCc3ccccc3C2=O)[n-]1	ZINC000009143461	170364690	/nfs/dbraw/zinc/36/46/90/170364690.db2.gz	QKPPZCYRULBTQK-LLVKDONJSA-N	-1	1	272.329	2.472	50	0		CEAAMM
Cn1c(CNC(=O)c2cccc(Cl)c2)n[n-]c1=S	ZINC000038536901	174144769	/nfs/dbraw/zinc/14/47/69/174144769.db2.gz	AVXSLSODHAHVBV-UHFFFAOYSA-N	-1	1	282.756	2.061	50	0		CEAAMM
O=C([O-])c1ccc(Oc2nc(Cl)nc3nc[nH]c32)cc1	ZINC000040287390	174219649	/nfs/dbraw/zinc/21/96/49/174219649.db2.gz	WUVLJINWJXDHFZ-UHFFFAOYSA-N	-1	1	290.666	2.497	50	0		CEAAMM
O=C(Nc1nnn[n-]1)[C@@H]1C[C@@H]1c1cccc(Cl)c1Cl	ZINC000071897882	176293196	/nfs/dbraw/zinc/29/31/96/176293196.db2.gz	FYLOYBQGZBGFTO-RNFRBKRXSA-N	-1	1	298.133	2.249	50	0		CEAAMM
O=C(Nc1nn[n-]n1)[C@@H]1C[C@@H]1c1cccc(Cl)c1Cl	ZINC000071897882	176293197	/nfs/dbraw/zinc/29/31/97/176293197.db2.gz	FYLOYBQGZBGFTO-RNFRBKRXSA-N	-1	1	298.133	2.249	50	0		CEAAMM
Cc1cc(=O)[n-]c(Nc2nc3ccccc3s2)n1	ZINC000009705005	280636441	/nfs/dbraw/zinc/63/64/41/280636441.db2.gz	GGKPTIZTYVUHFE-UHFFFAOYSA-N	-1	1	258.306	2.266	50	0		CEAAMM
C[C@H]1CN(CCCC(=O)[O-])[C@H](c2ccccc2)CO1	ZINC000174458124	300254371	/nfs/dbraw/zinc/25/43/71/300254371.db2.gz	POLFKWBEZZEUSA-JSGCOSHPSA-N	-1	1	263.337	2.313	50	0		CEAAMM