smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cccc(NC(=O)COc2ccccc2/C=N\[O-])c1C	ZINC000409267116	230413337	/nfs/dbraw/zinc/41/33/37/230413337.db2.gz	SLKNHYUDKBBYRM-ZDLGFXPLSA-N	-1	0	298.342	3.129	40	30		CGEBRM
CCOc1ccc(/N=C/c2ccc([O-])c([N+](=O)[O-])c2)cc1	ZINC000006962554	344866383	/nfs/dbraw/zinc/86/63/83/344866383.db2.gz	QOPWSWAYAVEWTN-MHWRWJLKSA-N	-1	0	286.287	3.450	40	30		CGEBRM
CN(Cc1ccc(/C(Cl)=N/[O-])cc1)C(=O)OC(C)(C)C	ZINC000222507648	346299328	/nfs/dbraw/zinc/29/93/28/346299328.db2.gz	UUMDVWHEIMROHJ-VBKFSLOCSA-N	-1	0	298.770	3.428	40	30		CGEBRM
CCCCCCCCCCCCc1c([O-])[nH]c(=O)[nH]c1=O	ZINC000104101527	370337395	/nfs/dbraw/zinc/33/73/95/370337395.db2.gz	ICHHDUSDQACNKS-UHFFFAOYSA-N	-1	0	296.411	3.280	40	30		CGEBRM
COc1ccc([C@@H]2C/C(=N/[O-])c3ccccc3O2)cc1	ZINC000104393017	370343956	/nfs/dbraw/zinc/34/39/56/370343956.db2.gz	KTYXFISMBDNKHD-GDGUIRGDSA-N	-1	0	269.300	3.397	40	30		CGEBRM
Cc1cc(/N=C/c2ccc([O-])c([N+](=O)[O-])c2)ccc1F	ZINC000408905253	380022982	/nfs/dbraw/zinc/02/29/82/380022982.db2.gz	VYDVNDCLXDQKBC-LZYBPNLTSA-N	-1	0	274.251	3.499	40	30		CGEBRM
COc1cc(/C=N/c2ccc(F)cc2)c([O-])c([N+](=O)[O-])c1	ZINC000003024502	368489358	/nfs/dbraw/zinc/48/93/58/368489358.db2.gz	MOZSBNLWZLLBDL-LZYBPNLTSA-N	-1	0	290.250	3.199	40	30		CGEBRM
O=S(=O)([O-])c1ccc(/N=C/C=C/c2ccccc2)cc1	ZINC000003033022	368489649	/nfs/dbraw/zinc/48/96/49/368489649.db2.gz	WQBXAKYZHWNMLE-JAFAMXRVSA-N	-1	0	287.340	3.349	40	30		CGEBRM
Oc1ccccc1C=Nn1c(=S)[n-]nc1-c1ccccc1	ZINC000019808758	368768006	/nfs/dbraw/zinc/76/80/06/368768006.db2.gz	UUJUTEUHFBPDJR-YBEGLDIGSA-N	-1	0	296.355	3.195	40	30		CGEBRM
C#CCOc1c(Cl)cc(C(C)(C)C)cc1C(=O)[O-]	ZINC000225283587	376300492	/nfs/dbraw/zinc/30/04/92/376300492.db2.gz	ISBMDPBYBPBZKR-UHFFFAOYSA-N	-1	0	266.724	3.348	40	30		CGEBRM
C=C(CC/C=C(\C)C(=O)[O-])[C@@]1(O)CC=C(C)CC1	ZINC000031166646	171633047	/nfs/dbraw/zinc/63/30/47/171633047.db2.gz	RMCNAGFAGLJBPK-FDYAIDJWSA-N	-1	0	250.338	3.215	40	30	biogenic,in-vitro	CGEBRM
Cc1cc(/N=C/c2cc([N+](=O)[O-])ccc2[O-])ccc1F	ZINC000102970852	230393006	/nfs/dbraw/zinc/39/30/06/230393006.db2.gz	OUQNACXQKOHCMQ-LZYBPNLTSA-N	-1	0	274.251	3.499	40	30		CGEBRM
C=C[C@@H]1CCCCN1C(=O)[C@](C)(CC(=O)[O-])CC(C)C	ZINC000634944752	351607180	/nfs/dbraw/zinc/60/71/80/351607180.db2.gz	DIKIMEQHLAUOFJ-CJNGLKHVSA-N	-1	0	281.396	3.081	40	30		CGEBRM
O=C([O-])C=CC(=NNc1ccccc1)c1ccccc1	ZINC000018203360	304023351	/nfs/dbraw/zinc/02/33/51/304023351.db2.gz	NOPCMQGSHNOCKQ-OBMWWMMPSA-N	-1	0	266.300	3.144	40	30		CGEBRM
O=C1C(=O)C(C2CCCCC2)=C([O-])c2ccccc21	ZINC000000001891	368269939	/nfs/dbraw/zinc/26/99/39/368269939.db2.gz	JBFUOGRCSLVENL-UHFFFAOYSA-N	-1	0	256.301	3.458	40	30		CGEBRM
COc1cc(/C=N/c2ccc(C)cc2)cc([N+](=O)[O-])c1[O-]	ZINC000034753293	368978375	/nfs/dbraw/zinc/97/83/75/368978375.db2.gz	FFRJBXFHUPAYIU-CXUHLZMHSA-N	-1	0	286.287	3.368	40	30		CGEBRM
CC1(C)[C@@H]2CC[C@@]1(C)C([O-])=C(Br)C2=O	ZINC000100363520	370277238	/nfs/dbraw/zinc/27/72/38/370277238.db2.gz	QFWOHEGUBUOTEK-KBUNVGBDSA-N	-1	0	259.143	3.176	40	30		CGEBRM
O=C([O-])c1ccccc1NC=CC(=O)c1ccc(F)cc1	ZINC000005590710	170116941	/nfs/dbraw/zinc/11/69/41/170116941.db2.gz	KSASBVKITYESNN-KTKRTIGZSA-N	-1	0	285.274	3.332	40	30		CGEBRM
C=C1C(C)(C)[C@]2(NC(=O)OC(C)(C)C)CC[C@@]1(C(=O)[O-])C2	ZINC000085398775	179051162	/nfs/dbraw/zinc/05/11/62/179051162.db2.gz	WEWULZAHWQERJX-CVEARBPZSA-N	-1	0	295.379	3.101	40	30		CGEBRM
O=C([O-])C=CC(=NNc1ccccc1)c1ccccc1	ZINC000104384729	304023953	/nfs/dbraw/zinc/02/39/53/304023953.db2.gz	NOPCMQGSHNOCKQ-MKOTVRJLSA-N	-1	0	266.300	3.144	40	30		CGEBRM
O=C(C=CNc1ccc(F)cc1)c1ccccc1[O-]	ZINC000101635277	370293029	/nfs/dbraw/zinc/29/30/29/370293029.db2.gz	CPFTVFUNKMLFSW-MDZDMXLPSA-N	-1	0	257.264	3.340	40	30		CGEBRM
COc1ccc(/N=C\c2ccc([O-])c([N+](=O)[O-])c2)cc1	ZINC000408905336	380022289	/nfs/dbraw/zinc/02/22/89/380022289.db2.gz	XLJQCEKGTSUGBJ-DHDCSXOGSA-N	-1	0	272.260	3.060	40	30		CGEBRM
O=[N+]([O-])c1cccc(/C=N/c2ccc(F)cc2F)c1[O-]	ZINC000409095689	380026722	/nfs/dbraw/zinc/02/67/22/380026722.db2.gz	IHVZREBYJMCEDG-FRKPEAEDSA-N	-1	0	278.214	3.329	40	30		CGEBRM
CC(=CC(=O)c1ccc(C)o1)Nc1ccc(C(=O)[O-])cc1	ZINC000409354734	380029553	/nfs/dbraw/zinc/02/95/53/380029553.db2.gz	AOSLOKLBMGMJHI-MDZDMXLPSA-N	-1	0	285.299	3.485	40	30		CGEBRM
O=C(/C=C/c1ccccn1)c1cc(Cl)ccc1[O-]	ZINC000004522506	169977196	/nfs/dbraw/zinc/97/71/96/169977196.db2.gz	MSWBRYAQAGIBKO-FNORWQNLSA-N	-1	0	259.692	3.337	40	30		CGEBRM
CCOc1ccc(O)c(/C(Cc2ccccc2)=N/[O-])c1	ZINC000005464629	170101725	/nfs/dbraw/zinc/10/17/25/170101725.db2.gz	RPYWABKYNRJWDW-BMRADRMJSA-N	-1	0	271.316	3.212	40	30		CGEBRM
CC(C)(C)c1cc(C#N)cc(Br)c1[O-]	ZINC000001737592	277263904	/nfs/dbraw/zinc/26/39/04/277263904.db2.gz	VNGBEYAOVIWICC-UHFFFAOYSA-N	-1	0	254.127	3.324	40	30		CGEBRM
[O-]/N=C\c1cc(Br)cc(C(F)(F)F)c1	ZINC000016159497	295390530	/nfs/dbraw/zinc/39/05/30/295390530.db2.gz	IHTCFZSIRFGSFD-PQMHYQBVSA-N	-1	0	268.032	3.276	40	30		CGEBRM
N#CC=C([O-])c1c(Cl)ccc(Br)c1F	ZINC000098210942	370269165	/nfs/dbraw/zinc/26/91/65/370269165.db2.gz	RLMGILFQCXKDSA-UHFFFAOYSA-N	-1	0	276.492	3.338	40	30		CGEBRM
O=C(C=C([O-])C(F)(F)F)c1ccc(Br)cc1	ZINC000100091187	370271500	/nfs/dbraw/zinc/27/15/00/370271500.db2.gz	KQTSRYLXTKSQGP-YVMONPNESA-N	-1	0	295.054	3.479	40	30		CGEBRM
O=[N+]([O-])c1cccc(/C=N\c2ccccc2F)c1[O-]	ZINC000222214067	393008722	/nfs/dbraw/zinc/00/87/22/393008722.db2.gz	KOPNCNNKCRJBCR-NVNXTCNLSA-N	-1	0	260.224	3.190	40	30		CGEBRM
COc1cccc(/C=C\C(=O)c2ccccc2[O-])c1O	ZINC000004934329	170042320	/nfs/dbraw/zinc/04/23/20/170042320.db2.gz	GBAMFFILOSWMOO-KTKRTIGZSA-N	-1	0	270.284	3.003	40	30		CGEBRM
C[C@@H](Oc1ccc(/C=N/c2ccc(F)cc2)cc1)C(=O)[O-]	ZINC000039557388	344959669	/nfs/dbraw/zinc/95/96/69/344959669.db2.gz	YNTWAPPXBOLYKS-VDCVXVNISA-N	-1	0	287.290	3.428	40	30		CGEBRM
C[C@@H](C(=O)[O-])c1ccc(/C=C2\CCCCC2=O)cc1	ZINC000006037092	170170231	/nfs/dbraw/zinc/17/02/31/170170231.db2.gz	AUZUGWXLBGZUPP-ZTMOJVSCSA-N	-1	0	258.317	3.401	40	30	world	CGEBRM
O=C([O-])C(C(=O)/C=C/c1ccco1)=C1SCCCS1	ZINC000062716100	527549343	/nfs/dbraw/zinc/54/93/43/527549343.db2.gz	BPXYTYHWBVDULC-SNAWJCMRSA-N	-1	0	296.369	3.028	40	30		CGEBRM
CCCCCCCCCC[C@@H](NC(C)=O)C(=O)[O-]	ZINC000002046418	368444743	/nfs/dbraw/zinc/44/47/43/368444743.db2.gz	ZNZSRMPKAXHGNR-CYBMUJFWSA-N	-1	0	257.374	3.107	40	30		CGEBRM
COc1cc([O-])c(C(=O)/C=C\c2ccccc2)c(OC)c1	ZINC000013154309	368644774	/nfs/dbraw/zinc/64/47/74/368644774.db2.gz	QKQLSQLKXBHUSO-HJWRWDBZSA-N	-1	0	284.311	3.306	40	30	biogenic,in-vitro	CGEBRM
COc1cc([N+](=O)[O-])cc(/C=N/c2ccc(F)cc2)c1[O-]	ZINC000005357168	170089348	/nfs/dbraw/zinc/08/93/48/170089348.db2.gz	QTIWXFBFDDEJIH-LZYBPNLTSA-N	-1	0	290.250	3.199	40	30		CGEBRM
N#CC(=C([O-])C(=O)Nc1ccc(Cl)cc1)c1ccccc1	ZINC000001616797	368423213	/nfs/dbraw/zinc/42/32/13/368423213.db2.gz	FYHOXDPIXUCNSV-CQSZACIVSA-N	-1	0	298.729	3.155	40	30		CGEBRM
Cc1c(C(=O)[O-])oc2c1C(=NNc1ccccc1)CCC2	ZINC000013510649	368655714	/nfs/dbraw/zinc/65/57/14/368655714.db2.gz	ZMYQNYAGZDYXTD-LDADJPATSA-N	-1	0	284.315	3.439	40	30		CGEBRM
O=[N+]([O-])c1ccc2c(c1)/C(=N\[O-])c1cc(Cl)ccc1-2	ZINC000104081827	285142033	/nfs/dbraw/zinc/14/20/33/285142033.db2.gz	GTVIOMFPUBELIT-SQFISAMPSA-N	-1	0	274.663	3.455	40	30		CGEBRM
O=C(/C=C/c1ccncc1)c1cc(Cl)ccc1[O-]	ZINC000004821670	170023172	/nfs/dbraw/zinc/02/31/72/170023172.db2.gz	OXGJWTBAFKSYOI-HNQUOIGGSA-N	-1	0	259.692	3.337	40	30		CGEBRM
CCOc1ccccc1/N=C\c1cccc([N+](=O)[O-])c1[O-]	ZINC000409104298	261136127	/nfs/dbraw/zinc/13/61/27/261136127.db2.gz	HIUFYGMHIUJKAY-YBEGLDIGSA-N	-1	0	286.287	3.450	40	30		CGEBRM
COc1ccc(/C=N\c2ccc(C(=O)[O-])cc2)cc1	ZINC000039944938	295063424	/nfs/dbraw/zinc/06/34/24/295063424.db2.gz	ATXBWEWYPPSELE-YBEGLDIGSA-N	-1	0	255.273	3.144	40	30		CGEBRM
C[C@@H](C(=O)[O-])c1ccc(/C=C2/CCCCC2=O)cc1	ZINC000034096099	524300745	/nfs/dbraw/zinc/30/07/45/524300745.db2.gz	AUZUGWXLBGZUPP-UXEDPAHQSA-N	-1	0	258.317	3.401	40	30	investigational	CGEBRM
CCCCCCCCCCC[C@H](NC(C)=O)C(=O)[O-]	ZINC000100302741	185711598	/nfs/dbraw/zinc/71/15/98/185711598.db2.gz	AFNMDHNYMYZBIO-AWEZNQCLSA-N	-1	0	271.401	3.497	40	30		CGEBRM
CCCCCCCC(=O)C(=O)c1ccc(O)cc1[O-]	ZINC000001563304	368418211	/nfs/dbraw/zinc/41/82/11/368418211.db2.gz	ONPWVVFMJWLDTN-UHFFFAOYSA-N	-1	0	264.321	3.210	40	30		CGEBRM
CC(=O)c1ccc(N=Cc2cccc([N+](=O)[O-])c2[O-])cc1	ZINC000006857189	368570881	/nfs/dbraw/zinc/57/08/81/368570881.db2.gz	YSGYAXCIWJMAJF-CXUHLZMHSA-N	-1	0	284.271	3.254	40	30		CGEBRM
COc1ccc(/C=N\c2ccc([N+](=O)[O-])cc2[O-])cc1	ZINC000100354172	370277353	/nfs/dbraw/zinc/27/73/53/370277353.db2.gz	UCPKDZRIVQBHHI-DHDCSXOGSA-N	-1	0	272.260	3.060	40	30		CGEBRM
C=CCn1c(CCc2ccccc2)ccc1C(=O)[O-]	ZINC000226028796	376339252	/nfs/dbraw/zinc/33/92/52/376339252.db2.gz	ZUGBPIROAQBERQ-UHFFFAOYSA-N	-1	0	255.317	3.158	40	30		CGEBRM
Cc1ccccc1/N=C\c1ccc([O-])c([N+](=O)[O-])c1	ZINC000408964246	380024824	/nfs/dbraw/zinc/02/48/24/380024824.db2.gz	QCZKPISSBINXSS-DHDCSXOGSA-N	-1	0	256.261	3.359	40	30		CGEBRM
CCOc1ccc(/N=C\c2cccc(OCC(=O)[O-])c2)cc1	ZINC000409213811	380028438	/nfs/dbraw/zinc/02/84/38/380028438.db2.gz	VRDYZRASDXSEBK-WQRHYEAKSA-N	-1	0	299.326	3.299	40	30		CGEBRM
CCOc1ccc(C=NNc2ccc(C(=O)[O-])cc2)cc1	ZINC000005316800	170085074	/nfs/dbraw/zinc/08/50/74/170085074.db2.gz	FUUVBVXYBKXTKF-GZTJUZNOSA-N	-1	0	284.315	3.230	40	30		CGEBRM
O=C(/C=C/c1ccc([O-])c([N+](=O)[O-])c1)c1ccccc1	ZINC000035609900	172295170	/nfs/dbraw/zinc/29/51/70/172295170.db2.gz	VOHOEOYMABZRNQ-SOFGYWHQSA-N	-1	0	269.256	3.197	40	30		CGEBRM
N#Cc1cccc(COc2ccc(Cl)cc2C(=O)[O-])c1	ZINC000037302359	173107878	/nfs/dbraw/zinc/10/78/78/173107878.db2.gz	JCKJVNXINKBUDT-UHFFFAOYSA-N	-1	0	287.702	3.489	40	30		CGEBRM
CCc1n[n-]c(=S)n1N=Cc1ccc(OC(C)C)cc1	ZINC000041223823	344967727	/nfs/dbraw/zinc/96/77/27/344967727.db2.gz	SQOBHDDGSYWEOA-OQLLNIDSSA-N	-1	0	290.392	3.172	40	30		CGEBRM
O=C([O-])/C=C\[C@](F)(C(F)(F)F)C(F)(F)C(F)(F)F	ZINC000097949871	304023956	/nfs/dbraw/zinc/02/39/56/304023956.db2.gz	AYHWXFOMIRCWPY-HYLWAGPFSA-N	-1	0	290.081	3.095	40	30		CGEBRM
COCc1ccc(/C=N/c2cccc(/C=C/C(=O)[O-])c2)o1	ZINC000005511797	170106239	/nfs/dbraw/zinc/10/62/39/170106239.db2.gz	SXFCJGLSPCAVHZ-JZJJTTEJSA-N	-1	0	285.299	3.274	40	30		CGEBRM
C=C[C@H]1CCCCN1C(=O)[C@](C)(CC(=O)[O-])CC(C)C	ZINC000634944751	351607389	/nfs/dbraw/zinc/60/73/89/351607389.db2.gz	DIKIMEQHLAUOFJ-BBRMVZONSA-N	-1	0	281.396	3.081	40	30		CGEBRM
C=CCCCCC[C@H](NC(=O)OC1CCCC1)C(=O)[O-]	ZINC000079016841	369959807	/nfs/dbraw/zinc/95/98/07/369959807.db2.gz	UIXRDZUPPXINBQ-ZDUSSCGKSA-N	-1	0	283.368	3.245	40	30		CGEBRM
CCc1ccc(C([O-])=CC(=O)c2cccnc2)cc1	ZINC000103712962	370333475	/nfs/dbraw/zinc/33/34/75/370333475.db2.gz	IZJKOSDRSRRSKA-YBEGLDIGSA-N	-1	0	253.301	3.426	40	30		CGEBRM
C[C@H](Oc1ccc(/C=N\c2ccccc2F)cc1)C(=O)[O-]	ZINC000408848563	380022354	/nfs/dbraw/zinc/02/23/54/380022354.db2.gz	RAHXBGATOAIYMB-TZQXVGBESA-N	-1	0	287.290	3.428	40	30		CGEBRM
Cc1cc(/N=C/c2cccc([N+](=O)[O-])c2[O-])ccc1F	ZINC000409072475	380026422	/nfs/dbraw/zinc/02/64/22/380026422.db2.gz	SCZALWKUZXXJSG-LZYBPNLTSA-N	-1	0	274.251	3.499	40	30		CGEBRM
C=CCOc1c(Cl)cc(/C=C/C(=O)[O-])cc1OC	ZINC000006180867	170181283	/nfs/dbraw/zinc/18/12/83/170181283.db2.gz	WCUPQFJDSCBFIM-SNAWJCMRSA-N	-1	0	268.696	3.011	40	30		CGEBRM
CC(=NNc1ccc(C(=O)[O-])cc1)c1cc(F)ccc1O	ZINC000007852251	170305333	/nfs/dbraw/zinc/30/53/33/170305333.db2.gz	OZLNFOOFLZOMBL-RQZCQDPDSA-N	-1	0	288.278	3.066	40	30		CGEBRM
COc1ccccc1/N=C/c1ccc(O[C@@H](C)C(=O)[O-])cc1	ZINC000039557431	260134043	/nfs/dbraw/zinc/13/40/43/260134043.db2.gz	VHBCHHWDKLFBOU-HWQJWEFDSA-N	-1	0	299.326	3.298	40	30		CGEBRM
Cn1cccc1/C=N/c1cc(C(=O)[O-])ccc1Cl	ZINC000409117187	261138568	/nfs/dbraw/zinc/13/85/68/261138568.db2.gz	NQHCVPUCWZNMQL-OVCLIPMQSA-N	-1	0	262.696	3.127	40	30		CGEBRM
COc1ccc([C@@H]2C/C(=N\[O-])c3ccccc3O2)cc1	ZINC000017327188	368731793	/nfs/dbraw/zinc/73/17/93/368731793.db2.gz	KTYXFISMBDNKHD-WUVIJCSQSA-N	-1	0	269.300	3.397	40	30		CGEBRM
O=C([O-])c1ccc(/N=C/c2ccc([N+](=O)[O-])cc2)cc1	ZINC000003154219	391917274	/nfs/dbraw/zinc/91/72/74/391917274.db2.gz	FICVOBBOEGEMHD-OQLLNIDSSA-N	-1	0	270.244	3.044	40	30		CGEBRM
O=C([O-])C1=C[C@@H](C2CC2)c2c(Cl)c(F)c(F)cc2C1=O	ZINC000255189372	567111076	/nfs/dbraw/zinc/11/10/76/567111076.db2.gz	PJHMOAKVVVVGNV-LURJTMIESA-N	-1	0	298.672	3.319	40	30		CGEBRM
Cc1cc(/C=N\c2cc(C(=O)[O-])ccc2C)c(C)n1C	ZINC000408769428	230409489	/nfs/dbraw/zinc/40/94/89/230409489.db2.gz	UPTKPFDUPUXXPK-MFOYZWKCSA-N	-1	0	270.332	3.399	40	30		CGEBRM
CCc1n[n-]c(=S)n1N=Cc1cc(Cl)ccc1OC	ZINC000054868414	345140575	/nfs/dbraw/zinc/14/05/75/345140575.db2.gz	ZQAKFYOZWLUFSR-VGOFMYFVSA-N	-1	0	296.783	3.047	40	30		CGEBRM
CN(C)c1ccc(/N=C\c2cc([N+](=O)[O-])ccc2[O-])cc1	ZINC000106902408	345932979	/nfs/dbraw/zinc/93/29/79/345932979.db2.gz	VNGWUFSXFGJRPZ-YBEGLDIGSA-N	-1	0	285.303	3.117	40	30		CGEBRM
S=c1[n-]nc(-c2ccccc2)n1N=Cc1ccccc1	ZINC000001241184	368404906	/nfs/dbraw/zinc/40/49/06/368404906.db2.gz	DFCISOWMWAKUDC-WJDWOHSUSA-N	-1	0	280.356	3.490	40	30		CGEBRM
O=C([O-])c1cc(C(=O)/C=C\c2cccs2)ccc1O	ZINC000017109086	368726959	/nfs/dbraw/zinc/72/69/59/368726959.db2.gz	IIIKXJSCHFNQCQ-XQRVVYSFSA-N	-1	0	274.297	3.048	40	30		CGEBRM
[O-]/N=C(\Cc1ccccc1)c1cc(Cl)ccc1O	ZINC000016477854	368713365	/nfs/dbraw/zinc/71/33/65/368713365.db2.gz	SRCSSTDYVRQIBQ-DTQAZKPQSA-N	-1	0	261.708	3.467	40	30		CGEBRM
COc1ccc(C(=O)/C=C/c2ccccc2O)c([O-])c1	ZINC000017014182	368725875	/nfs/dbraw/zinc/72/58/75/368725875.db2.gz	SILQXAXNJHVTEY-RMKNXTFCSA-N	-1	0	270.284	3.003	40	30		CGEBRM
Cc1ccc(NC(=O)COc2ccccc2/C=N\[O-])cc1C	ZINC000409253364	380028169	/nfs/dbraw/zinc/02/81/69/380028169.db2.gz	BOGGSEZKDZTGJL-ZDLGFXPLSA-N	-1	0	298.342	3.129	40	30		CGEBRM
COc1cccc(C(C)=NNc2ccc(C(=O)[O-])cc2)c1	ZINC000005638736	170122840	/nfs/dbraw/zinc/12/28/40/170122840.db2.gz	GMPFYTXSMLAFDL-GZTJUZNOSA-N	-1	0	284.315	3.230	40	30		CGEBRM
COc1cc(/C=C/C(=O)c2ccccc2)cc([N+](=O)[O-])c1[O-]	ZINC000035738517	172391852	/nfs/dbraw/zinc/39/18/52/172391852.db2.gz	KPMINPOGCINJET-BQYQJAHWSA-N	-1	0	299.282	3.205	40	30		CGEBRM
Cc1cc(/C=N/c2cccc(C(=O)[O-])c2)cc(C)c1O	ZINC000008301178	344873271	/nfs/dbraw/zinc/87/32/71/344873271.db2.gz	YGRUDKJNTABDNA-RQZCQDPDSA-N	-1	0	269.300	3.458	40	30		CGEBRM
Cc1cccc(/N=C/c2ccc([O-])c([N+](=O)[O-])c2)c1	ZINC000100286819	185710221	/nfs/dbraw/zinc/71/02/21/185710221.db2.gz	KGFPPNIFUPOGGP-OQLLNIDSSA-N	-1	0	256.261	3.359	40	30		CGEBRM
C=C1[C@H]2C[C@@H]3CC[C@H]2[C@@H](OC(=O)c2ccccc2C(=O)[O-])[C@H]13	ZINC000005600890	170118027	/nfs/dbraw/zinc/11/80/27/170118027.db2.gz	FVXIKFDJSKTCEW-IQVWLFHZSA-N	-1	0	298.338	3.142	40	30		CGEBRM
O=C([O-])COc1ccc(/C=C\C(=O)c2ccccc2)cc1	ZINC000013406554	368653531	/nfs/dbraw/zinc/65/35/31/368653531.db2.gz	RAWOIFJFAZJKMJ-FLIBITNWSA-N	-1	0	282.295	3.046	40	30		CGEBRM
Cc1ccc(/N=C\c2cccc(OCC(=O)[O-])c2)cc1	ZINC000409215415	380027393	/nfs/dbraw/zinc/02/73/93/380027393.db2.gz	YKXLBFSGJSSBIN-YVLHZVERSA-N	-1	0	269.300	3.209	40	30		CGEBRM
C=CCOc1c(Cl)cc(/C=C/C(=O)[O-])cc1OCC	ZINC000005953436	391924558	/nfs/dbraw/zinc/92/45/58/391924558.db2.gz	AKIGVDKLHPJVNA-AATRIKPKSA-N	-1	0	282.723	3.401	40	30		CGEBRM
COc1cccc(C(=O)/C=C/c2ccccc2C(=O)[O-])c1	ZINC000008494575	170338230	/nfs/dbraw/zinc/33/82/30/170338230.db2.gz	HOEBKUWRVHRVBX-MDZDMXLPSA-N	-1	0	282.295	3.290	40	30		CGEBRM
O=C([O-])[C@@](S)(c1ccccc1)C1CCCCC1	ZINC000008627638	170343204	/nfs/dbraw/zinc/34/32/04/170343204.db2.gz	OJAAUNJBYHHAFZ-CQSZACIVSA-N	-1	0	250.363	3.477	40	30		CGEBRM
C[C@H](Oc1ccc(/C=N/c2cccc(F)c2)cc1)C(=O)[O-]	ZINC000059678607	262391302	/nfs/dbraw/zinc/39/13/02/262391302.db2.gz	RHLAPLHNJZCZNT-HPAYWCODSA-N	-1	0	287.290	3.428	40	30		CGEBRM
O=C([O-])c1ccc(NC=C2CCCCCC2=O)cc1	ZINC000033711325	344936434	/nfs/dbraw/zinc/93/64/34/344936434.db2.gz	BDJLEHRHGGMBHJ-ZRDIBKRKSA-N	-1	0	259.305	3.214	40	30		CGEBRM
O=C([O-])C/C(=C/c1ccccc1)C(=O)c1ccccc1	ZINC000004416201	368545916	/nfs/dbraw/zinc/54/59/16/368545916.db2.gz	MHDNANJMWQQRRP-PTNGSMBKSA-N	-1	0	266.296	3.428	40	30		CGEBRM
N#Cc1ccccc1COc1ccc(Cl)cc1C(=O)[O-]	ZINC000013013891	368641466	/nfs/dbraw/zinc/64/14/66/368641466.db2.gz	QTRHCDVHEAROJN-UHFFFAOYSA-N	-1	0	287.702	3.489	40	30		CGEBRM
CC(=NNc1ccc(C(=O)[O-])cc1)c1ccc(C#N)cc1	ZINC000013350861	368651529	/nfs/dbraw/zinc/65/15/29/368651529.db2.gz	DHYUUYWRXCDRCV-WOJGMQOQSA-N	-1	0	279.299	3.093	40	30		CGEBRM
COc1ccc(/N=C\c2ccc(O[C@H](C)C(=O)[O-])cc2)cc1	ZINC000408849898	380022173	/nfs/dbraw/zinc/02/21/73/380022173.db2.gz	AKXIAMFCJSHPEF-OTWJJXBCSA-N	-1	0	299.326	3.298	40	30		CGEBRM
CCOc1ccccc1/N=C\c1ccc([O-])c([N+](=O)[O-])c1	ZINC000408964817	380023880	/nfs/dbraw/zinc/02/38/80/380023880.db2.gz	SMYRUISZMMRWGR-YBEGLDIGSA-N	-1	0	286.287	3.450	40	30		CGEBRM
O=C1c2cc(Cl)cc([O-])c2C(=O)C(Cl)=C1Cl	ZINC000003123700	285014700	/nfs/dbraw/zinc/01/47/00/285014700.db2.gz	ZPTOYDMQEDQTSS-UHFFFAOYSA-N	-1	0	277.490	3.114	40	30		CGEBRM
O=[N+]([O-])c1ccc2c(c1)/C(=N/[O-])c1cc(Cl)ccc1-2	ZINC000022241184	285142127	/nfs/dbraw/zinc/14/21/27/285142127.db2.gz	GTVIOMFPUBELIT-FYWRMAATSA-N	-1	0	274.663	3.455	40	30		CGEBRM
Cc1cccc(N=Cc2c([O-])c3ccccc3oc2=O)c1C	ZINC000100848996	281223447	/nfs/dbraw/zinc/22/34/47/281223447.db2.gz	RTDPNTBEEKIVRC-UVTDQMKNSA-N	-1	0	293.322	3.401	40	30		CGEBRM
C[C@H](Oc1ccc(/C=N/c2ccc(F)cc2)cc1)C(=O)[O-]	ZINC000039557387	344959959	/nfs/dbraw/zinc/95/99/59/344959959.db2.gz	YNTWAPPXBOLYKS-HPAYWCODSA-N	-1	0	287.290	3.428	40	30		CGEBRM
O=C([O-])[C@@H]1C/C(=N/O)c2cccc3c2[C@@H]1c1ccccc1-3	ZINC000217614202	304097297	/nfs/dbraw/zinc/09/72/97/304097297.db2.gz	HFPSBKMBZPTHQD-PDGVXOHFSA-N	-1	0	279.295	3.082	40	30		CGEBRM
C=C1C[C@]23C[C@@]1(O)CC[C@@H]2c1cccc(C)c1[C@@H]3C(=O)[O-]	ZINC000004097873	368529898	/nfs/dbraw/zinc/52/98/98/368529898.db2.gz	IFYWTLQMNWNCFH-WCZJQEMASA-N	-1	0	284.355	3.122	40	30	biogenic,in-vitro	CGEBRM
C/C(=N/c1ccc(Cl)cc1N)c1c([O-])cc(C)oc1=O	ZINC000017141813	368728338	/nfs/dbraw/zinc/72/83/38/368728338.db2.gz	IXSQQLXHDWOVBS-IUXPMGMMSA-N	-1	0	292.722	3.030	40	30		CGEBRM
Cn1cccc1/C=N\c1ccc(Cl)c(C(=O)[O-])c1	ZINC000409093767	380025592	/nfs/dbraw/zinc/02/55/92/380025592.db2.gz	BCZRCWMILLMWTN-NVNXTCNLSA-N	-1	0	262.696	3.127	40	30		CGEBRM
O=C([O-])[C@](S)(c1ccccc1)C1CCCCC1	ZINC000004809394	170020537	/nfs/dbraw/zinc/02/05/37/170020537.db2.gz	OJAAUNJBYHHAFZ-AWEZNQCLSA-N	-1	0	250.363	3.477	40	30		CGEBRM
Cc1ccc(/N=C/c2ccc(OCC(=O)[O-])cc2)cc1	ZINC000033662609	171817113	/nfs/dbraw/zinc/81/71/13/171817113.db2.gz	DUHFJAZVSHPHDW-LICLKQGHSA-N	-1	0	269.300	3.209	40	30		CGEBRM
C=C[C@@H]1CCCCN1C(=O)CC1(CC(=O)[O-])CCCCC1	ZINC000634944794	351607522	/nfs/dbraw/zinc/60/75/22/351607522.db2.gz	FEPCZVWTSATWQQ-CQSZACIVSA-N	-1	0	293.407	3.369	40	30		CGEBRM
O=C([O-])C(Cl)=C(Cl)C=NNc1ccc(F)cc1F	ZINC000000153070	304023466	/nfs/dbraw/zinc/02/34/66/304023466.db2.gz	JVSAIQZRMWSIHM-MGQZHFHKSA-N	-1	0	295.072	3.136	40	30		CGEBRM
N#Cc1ccc(COc2ccc(/C=C/C(=O)[O-])cc2)cc1	ZINC000020134216	171022079	/nfs/dbraw/zinc/02/20/79/171022079.db2.gz	ABOGXFPTLAPMOS-JXMROGBWSA-N	-1	0	279.295	3.235	40	30		CGEBRM
COc1ccc2c(ccc3c2CCC(C=O)=C3[O-])c1	ZINC000104348277	295277794	/nfs/dbraw/zinc/27/77/94/295277794.db2.gz	FWAIOFYCRRENLB-LUAWRHEFSA-N	-1	0	254.285	3.419	40	30		CGEBRM
O=C([O-])C1=C[C@H](C2CC2)c2c(Cl)c(F)c(F)cc2C1=O	ZINC000255189373	567111152	/nfs/dbraw/zinc/11/11/52/567111152.db2.gz	PJHMOAKVVVVGNV-ZCFIWIBFSA-N	-1	0	298.672	3.319	40	30		CGEBRM
O=C([O-])c1ccccc1NC=C1CCCCCC1=O	ZINC000108023069	345936280	/nfs/dbraw/zinc/93/62/80/345936280.db2.gz	NQQFHIIGJRATPF-ZHACJKMWSA-N	-1	0	259.305	3.214	40	30		CGEBRM
CCOc1ccc(C([O-])=CC(=O)c2cccnc2)cc1	ZINC000103712981	185854964	/nfs/dbraw/zinc/85/49/64/185854964.db2.gz	DCRGCBBYYKHULF-YBEGLDIGSA-N	-1	0	269.300	3.262	40	30		CGEBRM
O=[N+]([O-])c1cccc(/C=N/c2ccccc2F)c1[O-]	ZINC000012042923	368603345	/nfs/dbraw/zinc/60/33/45/368603345.db2.gz	KOPNCNNKCRJBCR-OVCLIPMQSA-N	-1	0	260.224	3.190	40	30		CGEBRM
CN(C)/N=C\c1ccc(-c2ccc(Cl)c(C(=O)[O-])c2)o1	ZINC000016163167	368708534	/nfs/dbraw/zinc/70/85/34/368708534.db2.gz	YHEZOPIAESEIIK-PXNMLYILSA-N	-1	0	292.722	3.194	40	30		CGEBRM
CCCCCCCCc1c(O)c(O)c(O)cc1C(=O)[O-]	ZINC000042784497	369231962	/nfs/dbraw/zinc/23/19/62/369231962.db2.gz	FGNCKKAUGPSCJW-UHFFFAOYSA-N	-1	0	282.336	3.405	40	30		CGEBRM
C=CCC[C@@]1(C(=O)[O-])CCCN(C(=O)OC(C)(C)C)C1	ZINC000089065441	370037964	/nfs/dbraw/zinc/03/79/64/370037964.db2.gz	FWLANCKSKXDFAN-OAHLLOKOSA-N	-1	0	283.368	3.055	40	30		CGEBRM
COC1=CC(=O)C(C(=O)C=Cc2ccccc2)=C([O-])C1(C)C	ZINC000102943634	370316259	/nfs/dbraw/zinc/31/62/59/370316259.db2.gz	WSDGCFPVOKQCPI-MDZDMXLPSA-N	-1	0	298.338	3.220	40	30		CGEBRM
N=c1[n-]nc(-c2cccc(/N=C/c3ccc(O)cc3)c2)s1	ZINC000408718391	380021282	/nfs/dbraw/zinc/02/12/82/380021282.db2.gz	WJSHZCLVWXKIQE-RQZCQDPDSA-N	-1	0	296.355	3.074	40	30		CGEBRM
N#Cc1cccc(COc2ccc(/C=C/C(=O)[O-])cc2)c1	ZINC000020134212	171022176	/nfs/dbraw/zinc/02/21/76/171022176.db2.gz	DXTMGUHIHUUOIZ-RMKNXTFCSA-N	-1	0	279.295	3.235	40	30		CGEBRM
COc1cccc([O-])c1C(=O)/C=C\c1ccccc1	ZINC000101509353	230392820	/nfs/dbraw/zinc/39/28/20/230392820.db2.gz	ZGXVPIGRFJUIEA-KHPPLWFESA-N	-1	0	254.285	3.297	40	30		CGEBRM
COc1ccccc1/C=C\C(=O)c1ccccc1[O-]	ZINC000032016838	344928924	/nfs/dbraw/zinc/92/89/24/344928924.db2.gz	SNTIPKTZVAKPOX-KHPPLWFESA-N	-1	0	254.285	3.297	40	30		CGEBRM
O=C([O-])/C=C/c1cccc(/N=C/c2ccc([N+](=O)[O-])o2)c1	ZINC000000226193	368318769	/nfs/dbraw/zinc/31/87/69/368318769.db2.gz	BSLDPERGZQKEQI-YKVSOSGNSA-N	-1	0	286.243	3.036	40	30		CGEBRM
O=C([O-])c1cccc(/N=C/c2cccc([N+](=O)[O-])c2)c1	ZINC000000570986	368388673	/nfs/dbraw/zinc/38/86/73/368388673.db2.gz	QPFNJHUNXFPQPU-OQLLNIDSSA-N	-1	0	270.244	3.044	40	30		CGEBRM
CC1(C)CC(=O)C(c2ccccc2[N+](=O)[O-])=C([O-])C1	ZINC000004877387	368558531	/nfs/dbraw/zinc/55/85/31/368558531.db2.gz	MCSKAXDFZWOEOO-UHFFFAOYSA-N	-1	0	261.277	3.253	40	30		CGEBRM
CC(=O)Nc1ccc(/N=C/c2ccc([O-])c([N+](=O)[O-])c2)cc1	ZINC000408964325	380024078	/nfs/dbraw/zinc/02/40/78/380024078.db2.gz	QTUVYOUVUIKMPX-CXUHLZMHSA-N	-1	0	299.286	3.009	40	30		CGEBRM
O=C([O-])/C=C/[C@](F)(C(F)(F)F)C(F)(F)C(F)(F)F	ZINC000095682097	392244063	/nfs/dbraw/zinc/24/40/63/392244063.db2.gz	AYHWXFOMIRCWPY-ROFOPDMZSA-N	-1	0	290.081	3.095	40	30		CGEBRM
Cc1cc([N+](=O)[O-])cc(/C=N/c2ccc(F)cc2)c1[O-]	ZINC000035189660	172043887	/nfs/dbraw/zinc/04/38/87/172043887.db2.gz	ZDBNOYMDOCJISW-LZYBPNLTSA-N	-1	0	274.251	3.499	40	30		CGEBRM
Cc1ccc(/N=C\c2cc([N+](=O)[O-])ccc2[O-])cc1	ZINC000017024915	301484832	/nfs/dbraw/zinc/48/48/32/301484832.db2.gz	HYUCVMBEWMZQEB-DHDCSXOGSA-N	-1	0	256.261	3.359	40	30		CGEBRM
Cc1ccccc1/N=C\c1cc([N+](=O)[O-])ccc1[O-]	ZINC000004579258	302077386	/nfs/dbraw/zinc/07/73/86/302077386.db2.gz	MNWNYDLYBIKUPW-DHDCSXOGSA-N	-1	0	256.261	3.359	40	30		CGEBRM
COc1cc(/C=N/c2ccccc2)ccc1O[C@H](C)C(=O)[O-]	ZINC000409017197	230411620	/nfs/dbraw/zinc/41/16/20/230411620.db2.gz	FFCARKPXCYMFQR-MBNTZHJCSA-N	-1	0	299.326	3.298	40	30		CGEBRM
N#CC(=C([O-])C(=O)Nc1cccc(Cl)c1)c1ccccc1	ZINC000001613703	368423451	/nfs/dbraw/zinc/42/34/51/368423451.db2.gz	RWGFMBWGORPXSX-CQSZACIVSA-N	-1	0	298.729	3.155	40	30		CGEBRM
CN(C)c1ccc(/C=N/c2ccccc2C(=O)[O-])cc1	ZINC000003185173	368496307	/nfs/dbraw/zinc/49/63/07/368496307.db2.gz	POYMPTXRBMLDIL-GZTJUZNOSA-N	-1	0	268.316	3.201	40	30		CGEBRM
CN(C)c1ccc(/C=N/c2cc([N+](=O)[O-])ccc2[O-])cc1	ZINC000017424969	368733766	/nfs/dbraw/zinc/73/37/66/368733766.db2.gz	OKSVVZUFNYVOMJ-MHWRWJLKSA-N	-1	0	285.303	3.117	40	30		CGEBRM
O=[N+]([O-])c1cc(/C=N\c2ccc(Cl)cc2O)ccc1[O-]	ZINC000408961750	380024797	/nfs/dbraw/zinc/02/47/97/380024797.db2.gz	DSPSZPVOXVMJMU-CHHVJCJISA-N	-1	0	292.678	3.410	40	30		CGEBRM
N#CCCn1cc(C(=O)[O-])c(-c2ccc3ccccc3c2)n1	ZINC000005000343	170052808	/nfs/dbraw/zinc/05/28/08/170052808.db2.gz	FYEIXHBXROSAAP-UHFFFAOYSA-N	-1	0	291.310	3.315	40	30		CGEBRM
COc1ccc(C(C)=NNc2cccc(C(=O)[O-])c2)cc1	ZINC000006673798	170224948	/nfs/dbraw/zinc/22/49/48/170224948.db2.gz	FIXOAPDTKNSWPX-GZTJUZNOSA-N	-1	0	284.315	3.230	40	30		CGEBRM
Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1ccccn1	ZINC000003153240	368493641	/nfs/dbraw/zinc/49/36/41/368493641.db2.gz	XISFMIOZQHQMNS-WOJGMQOQSA-N	-1	0	278.315	3.032	40	30		CGEBRM
CCn1c(=O)c(/C=N/C2CCCCC2)c([O-])c2ccccc21	ZINC000100192925	370274164	/nfs/dbraw/zinc/27/41/64/370274164.db2.gz	LYPODHVRMLYUAG-XDHOZWIPSA-N	-1	0	298.386	3.479	40	30		CGEBRM
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1cccc(F)c1	ZINC000101635150	370293269	/nfs/dbraw/zinc/29/32/69/370293269.db2.gz	MQBDZHVDLKPVFT-CYVLTUHYSA-N	-1	0	296.305	3.016	40	30		CGEBRM
CCCCCNN=Cc1c(C)[n-]n(-c2ccccc2)c1=O	ZINC000006592115	528183427	/nfs/dbraw/zinc/18/34/27/528183427.db2.gz	ITOLPNPYWMNLMV-LDADJPATSA-N	-1	0	286.379	3.000	40	30		CGEBRM
CCOc1cc(/C=N/c2ccccc2)cc([N+](=O)[O-])c1[O-]	ZINC000006959021	344866302	/nfs/dbraw/zinc/86/63/02/344866302.db2.gz	VTQURSZXCRRPPJ-MHWRWJLKSA-N	-1	0	286.287	3.450	40	30		CGEBRM
Cc1cc(/C=N\c2ccc(O)c(C(=O)[O-])c2)cc(C)c1O	ZINC000108985369	345940181	/nfs/dbraw/zinc/94/01/81/345940181.db2.gz	HRKYQNRZRZECMJ-IUXPMGMMSA-N	-1	0	285.299	3.163	40	30		CGEBRM
Cc1ccc(NC(=O)COc2ccccc2/C=N\[O-])c(C)c1	ZINC000409264435	380028247	/nfs/dbraw/zinc/02/82/47/380028247.db2.gz	LIRPUGHLPSTHEA-ZDLGFXPLSA-N	-1	0	298.342	3.129	40	30		CGEBRM
CCCCCCCCCCCC(=O)NCCC(=O)[O-]	ZINC000100921967	392269429	/nfs/dbraw/zinc/26/94/29/392269429.db2.gz	ILKFYYOGOCVZRU-UHFFFAOYSA-N	-1	0	271.401	3.498	40	30		CGEBRM
Cc1cccc(/N=C\c2cccc([N+](=O)[O-])c2[O-])c1	ZINC000409091100	392973158	/nfs/dbraw/zinc/97/31/58/392973158.db2.gz	TZDGUHYTDOLOPP-DHDCSXOGSA-N	-1	0	256.261	3.359	40	30		CGEBRM
C[C@@H]1CS/C(=C(\C(=O)[O-])C(=O)/C=C/c2ccco2)S1	ZINC000005528196	170108879	/nfs/dbraw/zinc/10/88/79/170108879.db2.gz	WPIBQCLJOVBCHF-VXPTZCRDSA-N	-1	0	296.369	3.027	40	30		CGEBRM
N#Cc1ccc(COc2ccc(Cl)cc2C(=O)[O-])cc1	ZINC000013083410	170530653	/nfs/dbraw/zinc/53/06/53/170530653.db2.gz	BFMPOXIFQFSGQM-UHFFFAOYSA-N	-1	0	287.702	3.489	40	30		CGEBRM
O=C([O-])/C=C/c1cc(C#Cc2ccccc2)cs1	ZINC000044201137	260299676	/nfs/dbraw/zinc/29/96/76/260299676.db2.gz	KDDHTLZRKJZUJC-CMDGGOBGSA-N	-1	0	254.310	3.246	40	30		CGEBRM
Cc1cc(C#N)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1	ZINC000223716700	301073077	/nfs/dbraw/zinc/07/30/77/301073077.db2.gz	WRWPTSUQEAJLFO-UHFFFAOYSA-N	-1	0	274.707	3.317	40	30		CGEBRM
C[C@H](C(=O)[O-])c1ccc(/C=C2/CCCCC2=O)cc1	ZINC000034096097	526186667	/nfs/dbraw/zinc/18/66/67/526186667.db2.gz	AUZUGWXLBGZUPP-HKLRHMNMSA-N	-1	0	258.317	3.401	40	30	investigational	CGEBRM
O=[N+]([O-])c1cc(-c2ccc(/C=N\[O-])o2)ccc1Cl	ZINC000138723799	346097738	/nfs/dbraw/zinc/09/77/38/346097738.db2.gz	CVBOYSNLHABOAC-MLPAPPSSSA-N	-1	0	266.640	3.316	40	30		CGEBRM
CCCCCCCCOC(=O)c1nc[n-]c1N=NN(C)C	ZINC000001662461	368427724	/nfs/dbraw/zinc/42/77/24/368427724.db2.gz	LISRSHBZPVZYLB-ISLYRVAYSA-N	-1	0	295.387	3.487	40	30		CGEBRM
C/C(=N\C1CCCCC1)c1c([O-])c2ccccc2n(C)c1=O	ZINC000100362672	370277328	/nfs/dbraw/zinc/27/73/28/370277328.db2.gz	YVLASXFNXRYJOH-XDHOZWIPSA-N	-1	0	298.386	3.386	40	30		CGEBRM
O=[N+]([O-])c1ccc([O-])c(/N=C/c2cc(Cl)ccc2O)c1	ZINC000102414070	370304077	/nfs/dbraw/zinc/30/40/77/370304077.db2.gz	KNCYJLJHOADZIW-VIZOYTHASA-N	-1	0	292.678	3.410	40	30		CGEBRM
Nc1cc2c(cc1Cl)-c1ccc([N+](=O)[O-])cc1/C2=N\[O-]	ZINC000022241178	391944577	/nfs/dbraw/zinc/94/45/77/391944577.db2.gz	JYFVXBCULVAJRA-DTQAZKPQSA-N	-1	0	289.678	3.037	40	30		CGEBRM
Cc1cccc(/N=C\c2cc([N+](=O)[O-])ccc2[O-])c1	ZINC000004719274	170004967	/nfs/dbraw/zinc/00/49/67/170004967.db2.gz	XPWPPCZIJFIZOU-DHDCSXOGSA-N	-1	0	256.261	3.359	40	30		CGEBRM
CC(C)c1[n-]c2ccc(Br)cc2c(=O)c1C#N	ZINC000040448548	276039688	/nfs/dbraw/zinc/03/96/88/276039688.db2.gz	GHTDVLJTFMLHKX-UHFFFAOYSA-N	-1	0	291.148	3.286	40	30		CGEBRM
CCn1c(C)cc(/C=N\c2ccc(O)c(C(=O)[O-])c2)c1C	ZINC000409111901	327613487	/nfs/dbraw/zinc/61/34/87/327613487.db2.gz	DBAHXSHDIZSBSU-MFOYZWKCSA-N	-1	0	286.331	3.279	40	30		CGEBRM
O=C([O-])/C(=N/c1ccccc1)c1c[nH]c2ccccc21	ZINC000104340360	185975379	/nfs/dbraw/zinc/97/53/79/185975379.db2.gz	GEUMBPMXAAITEQ-OBGWFSINSA-N	-1	0	264.284	3.373	40	30		CGEBRM
C=C[C@H]1CCCCN1C(=O)CC1(CC(=O)[O-])CCCCC1	ZINC000634944793	351607332	/nfs/dbraw/zinc/60/73/32/351607332.db2.gz	FEPCZVWTSATWQQ-AWEZNQCLSA-N	-1	0	293.407	3.369	40	30		CGEBRM
N#CCCN(CCC#N)Cc1cc(Cl)cc(Cl)c1[O-]	ZINC000031613484	368915233	/nfs/dbraw/zinc/91/52/33/368915233.db2.gz	ABRIGLOZEOMJSM-UHFFFAOYSA-N	-1	0	298.173	3.328	40	30		CGEBRM
Cc1cc(/C=N\c2ccc(Cl)cn2)c([O-])c([N+](=O)[O-])c1	ZINC000100116883	370273021	/nfs/dbraw/zinc/27/30/21/370273021.db2.gz	YQRODGTURQUUFT-UUASQNMZSA-N	-1	0	291.694	3.408	40	30		CGEBRM
COc1ccccc1C/C(=N/[O-])c1ccccc1OC	ZINC000104250675	370341941	/nfs/dbraw/zinc/34/19/41/370341941.db2.gz	IIWBETKTHMPMSB-VKAVYKQESA-N	-1	0	271.316	3.125	40	30		CGEBRM
CCCCCCCCCCC[C@H](O)S(=O)(=O)[O-]	ZINC000001598692	169722595	/nfs/dbraw/zinc/72/25/95/169722595.db2.gz	RVKLXMNYCBBYDL-GFCCVEGCSA-N	-1	0	266.403	3.114	40	30		CGEBRM
COc1ccc(C(=O)/C(=C/c2ccccc2)C(C)=O)c([O-])c1	ZINC000004825661	170024529	/nfs/dbraw/zinc/02/45/29/170024529.db2.gz	YXSXIZZNSCEPSH-MHWRWJLKSA-N	-1	0	296.322	3.256	40	30		CGEBRM
C/C(=N\N(c1ccccc1)c1ccccc1)C(=O)[O-]	ZINC000005592207	170116903	/nfs/dbraw/zinc/11/69/03/170116903.db2.gz	IAQHZVFSUPXHKJ-FOWTUZBSSA-N	-1	0	254.289	3.285	40	30		CGEBRM
COc1ccccc1/N=C/c1ccc(O[C@H](C)C(=O)[O-])cc1	ZINC000039557432	260134164	/nfs/dbraw/zinc/13/41/64/260134164.db2.gz	VHBCHHWDKLFBOU-MBNTZHJCSA-N	-1	0	299.326	3.298	40	30		CGEBRM
CC(=O)c1ccc(N=Cc2ccc([O-])c([N+](=O)[O-])c2)cc1	ZINC000111937282	527222032	/nfs/dbraw/zinc/22/20/32/527222032.db2.gz	UDTDSONQURHEHA-CXUHLZMHSA-N	-1	0	284.271	3.254	40	30		CGEBRM
COc1cc(/C=N/c2cccc(C)c2)cc([N+](=O)[O-])c1[O-]	ZINC000003169183	368495362	/nfs/dbraw/zinc/49/53/62/368495362.db2.gz	BEGJIRZESHHPKI-CXUHLZMHSA-N	-1	0	286.287	3.368	40	30		CGEBRM
O=[N+]([O-])c1ccc([O-])c(/C=N\c2ccc(Cl)cc2O)c1	ZINC000409095501	380026064	/nfs/dbraw/zinc/02/60/64/380026064.db2.gz	IBMJTSHOGOCKKY-CHHVJCJISA-N	-1	0	292.678	3.410	40	30		CGEBRM
COc1cccc(C(=O)C=CNc2ccccc2C(=O)[O-])c1	ZINC000409184717	380027375	/nfs/dbraw/zinc/02/73/75/380027375.db2.gz	ZORSPEYJTCFDIG-MDZDMXLPSA-N	-1	0	297.310	3.202	40	30		CGEBRM
CC1(C)[C@H]2CC[C@]1(C)C([O-])=C(Br)C2=O	ZINC000100363516	392265253	/nfs/dbraw/zinc/26/52/53/392265253.db2.gz	QFWOHEGUBUOTEK-UPONEAKYSA-N	-1	0	259.143	3.176	40	30		CGEBRM
O=C([O-])C=CC(=NNc1ccccc1)c1ccccc1	ZINC000104384725	304023981	/nfs/dbraw/zinc/02/39/81/304023981.db2.gz	NOPCMQGSHNOCKQ-KIYPHASJSA-N	-1	0	266.300	3.144	40	30		CGEBRM
COc1cccc(/C=C/C(=O)c2ccc(O)cc2[O-])c1	ZINC000004252722	368539496	/nfs/dbraw/zinc/53/94/96/368539496.db2.gz	AACDPQIFRBEZFP-VMPITWQZSA-N	-1	0	270.284	3.003	40	30		CGEBRM
CCSC(=N)NN=Cc1cc(Cl)cc(Cl)c1[O-]	ZINC000053224757	369480364	/nfs/dbraw/zinc/48/03/64/369480364.db2.gz	CNOHLZCKQDSUDQ-RZNTYIFUSA-N	-1	0	292.191	3.101	40	30		CGEBRM
COc1cccc(/C=N/c2ccccc2)c1O[C@@H](C)C(=O)[O-]	ZINC000409235737	380028697	/nfs/dbraw/zinc/02/86/97/380028697.db2.gz	QCQUKWINBGUXFI-HWQJWEFDSA-N	-1	0	299.326	3.298	40	30		CGEBRM
CCCCCCCCCCCC(=O)N[C@H](C)C(=O)[O-]	ZINC000100921954	392269464	/nfs/dbraw/zinc/26/94/64/392269464.db2.gz	UYTOHYBIBPDOKX-CYBMUJFWSA-N	-1	0	271.401	3.497	40	30		CGEBRM
C=CCOc1ccc(Br)cc1/C=C/C(=O)[O-]	ZINC000013747774	368665763	/nfs/dbraw/zinc/66/57/63/368665763.db2.gz	MBWNYQONJDTERD-ZZXKWVIFSA-N	-1	0	283.121	3.112	40	30		CGEBRM
C=CCn1c(Cc2ccc(C)cc2)ccc1C(=O)[O-]	ZINC000226029794	376339394	/nfs/dbraw/zinc/33/93/94/376339394.db2.gz	BMBWVCZFVAGDRO-UHFFFAOYSA-N	-1	0	255.317	3.272	40	30		CGEBRM
N#Cc1cc(Cl)ccc1OCc1ccc(C(=O)[O-])cc1	ZINC000408536700	380017752	/nfs/dbraw/zinc/01/77/52/380017752.db2.gz	AKRQXTHQAJYGEN-UHFFFAOYSA-N	-1	0	287.702	3.489	40	30		CGEBRM
O=C([O-])c1ccccc1C=NNc1ccc(F)cc1F	ZINC000004863879	170033006	/nfs/dbraw/zinc/03/30/06/170033006.db2.gz	XCUSRJXBUUSEGN-CAOOACKPSA-N	-1	0	276.242	3.109	40	30		CGEBRM
C[C@@H](Oc1ccc(/C=N/c2ccc(C#N)cc2)cc1)C(=O)[O-]	ZINC000059247803	262387568	/nfs/dbraw/zinc/38/75/68/262387568.db2.gz	WCCKGYWQNXYCFN-ZGXHQARYSA-N	-1	0	294.310	3.161	40	30		CGEBRM
O=C([O-])[C@@H]1C/C(=N/O)c2cccc3c2[C@H]1c1ccccc1-3	ZINC000217614040	304097209	/nfs/dbraw/zinc/09/72/09/304097209.db2.gz	HFPSBKMBZPTHQD-VYXVIJOUSA-N	-1	0	279.295	3.082	40	30		CGEBRM
CCCCCCCCCC[C@H](NC(C)=O)C(=O)[O-]	ZINC000001571001	368419536	/nfs/dbraw/zinc/41/95/36/368419536.db2.gz	ZNZSRMPKAXHGNR-ZDUSSCGKSA-N	-1	0	257.374	3.107	40	30		CGEBRM
O=C(/C=C\c1ccncc1)c1cc(Cl)ccc1[O-]	ZINC000013152295	368644996	/nfs/dbraw/zinc/64/49/96/368644996.db2.gz	OXGJWTBAFKSYOI-IWQZZHSRSA-N	-1	0	259.692	3.337	40	30		CGEBRM
CC(C)CN(CC(C)C)/N=C\c1cc([N+](=O)[O-])ccc1[O-]	ZINC000017001668	368725288	/nfs/dbraw/zinc/72/52/88/368725288.db2.gz	YALRZEFRXNRKCO-PXNMLYILSA-N	-1	0	293.367	3.248	40	30		CGEBRM
O=C(C=C([O-])c1ccccc1)C(O)=CC(=O)c1ccccc1	ZINC000095398223	370181983	/nfs/dbraw/zinc/18/19/83/370181983.db2.gz	SJVNTAIFZNBHNX-NFLUSIDLSA-N	-1	0	294.306	3.323	40	30		CGEBRM
CCOc1cc(/C=N\O)ccc1OCc1ccccc1	ZINC000101618701	370293459	/nfs/dbraw/zinc/29/34/59/370293459.db2.gz	TVVQTPSJGOWDKY-BOPFTXTBSA-N	-1	0	271.316	3.472	40	30		CGEBRM
O=C([O-])/C(=N\c1ccccc1)c1c[nH]c2ccccc21	ZINC000001646359	169732602	/nfs/dbraw/zinc/73/26/02/169732602.db2.gz	GEUMBPMXAAITEQ-SDXDJHTJSA-N	-1	0	264.284	3.373	40	30		CGEBRM
O=C([O-])c1ccccc1C(=O)C(=O)Cc1ccccc1	ZINC000071261602	176096257	/nfs/dbraw/zinc/09/62/57/176096257.db2.gz	GNNPNKIWDULLFI-GXDHUFHOSA-N	-1	0	268.268	3.167	40	30		CGEBRM
COc1ccc(/N=C\c2cc([N+](=O)[O-])ccc2[O-])cc1	ZINC000083262395	295063549	/nfs/dbraw/zinc/06/35/49/295063549.db2.gz	FFIJBDXQAMJUKD-DHDCSXOGSA-N	-1	0	272.260	3.060	40	30		CGEBRM
O=C1c2ccccc2C([O-])=C1c1cnc2ccccc2n1	ZINC000005647199	304721977	/nfs/dbraw/zinc/72/19/77/304721977.db2.gz	WUFMPLCXHNQVRG-UHFFFAOYSA-N	-1	0	274.279	3.252	40	30		CGEBRM
O=C1c2ccccc2C(=O)C(c2ccccc2)=C1[O-]	ZINC000000355159	368347015	/nfs/dbraw/zinc/34/70/15/368347015.db2.gz	KUKDVSFMDRAXML-UHFFFAOYSA-N	-1	0	250.253	3.035	40	30		CGEBRM
COc1cccc(/N=C/c2cccc([N+](=O)[O-])c2[O-])c1	ZINC000003084695	368490883	/nfs/dbraw/zinc/49/08/83/368490883.db2.gz	KFDLCGICOSUZQG-OQLLNIDSSA-N	-1	0	272.260	3.060	40	30		CGEBRM
N#Cc1ccc(-c2ccc(Cl)cc2Cl)[n-]c1=O	ZINC000016385129	368712495	/nfs/dbraw/zinc/71/24/95/368712495.db2.gz	CIXZISWPJMAWNR-UHFFFAOYSA-N	-1	0	265.099	3.220	40	30		CGEBRM
COc1ccc([C@H]2C/C(=N\[O-])c3ccccc3O2)cc1	ZINC000017003220	368725333	/nfs/dbraw/zinc/72/53/33/368725333.db2.gz	KTYXFISMBDNKHD-WECAROLCSA-N	-1	0	269.300	3.397	40	30		CGEBRM
COc1ccc(C(=O)/C=C\c2cccs2)c([O-])c1	ZINC000017313941	368731375	/nfs/dbraw/zinc/73/13/75/368731375.db2.gz	OTXKDVFOTKPVAI-ALCCZGGFSA-N	-1	0	260.314	3.358	40	30		CGEBRM
O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(/C=N/[O-])o1	ZINC000070461223	369801048	/nfs/dbraw/zinc/80/10/48/369801048.db2.gz	MWDREGOXCCAKQE-AWNIVKPZSA-N	-1	0	266.640	3.316	40	30		CGEBRM
Cc1ccc(C([O-])=CC(=O)c2cccnc2)cc1C	ZINC000103712989	370333596	/nfs/dbraw/zinc/33/35/96/370333596.db2.gz	KOQCWWJAYSSIOA-SXGWCWSVSA-N	-1	0	253.301	3.480	40	30		CGEBRM
CCc1ccc(/N=C\c2cccc(OCC(=O)[O-])c2)cc1	ZINC000409213726	380027787	/nfs/dbraw/zinc/02/77/87/380027787.db2.gz	UKBXIGZVNNFAAZ-WQRHYEAKSA-N	-1	0	283.327	3.463	40	30		CGEBRM
O=[N+]([O-])c1ccc(Cl)c(-c2ccc(/C=N/[O-])o2)c1	ZINC000020436527	171201952	/nfs/dbraw/zinc/20/19/52/171201952.db2.gz	FMLNPGQBORHOFR-AWNIVKPZSA-N	-1	0	266.640	3.316	40	30		CGEBRM
CCCCCCCCCCCCS(=O)(=O)CC(=O)[O-]	ZINC000100311643	185712133	/nfs/dbraw/zinc/71/21/33/185712133.db2.gz	ZCYZWSXKUWASET-UHFFFAOYSA-N	-1	0	292.441	3.407	40	30		CGEBRM
CCCCCCCc1c(C)nc(SCC(=O)[O-])[nH]c1=O	ZINC000098043527	282654363	/nfs/dbraw/zinc/65/43/63/282654363.db2.gz	XTUPAZVCOQOUMY-UHFFFAOYSA-N	-1	0	298.408	3.180	40	30		CGEBRM
COc1ccc(C(C)=NNc2ccc(C(=O)[O-])cc2)cc1	ZINC000005638735	368564830	/nfs/dbraw/zinc/56/48/30/368564830.db2.gz	HRJPCQSVRMZJCM-GZTJUZNOSA-N	-1	0	284.315	3.230	40	30		CGEBRM
COc1ccc(/C=N\c2ccccc2C(=O)[O-])cc1OC	ZINC000016951638	368722501	/nfs/dbraw/zinc/72/25/01/368722501.db2.gz	FXVNLJYBLRLPGG-YVLHZVERSA-N	-1	0	285.299	3.153	40	30		CGEBRM
COc1cccc(/C=C\C(=O)c2ccccc2[O-])c1OC	ZINC000033773426	368967832	/nfs/dbraw/zinc/96/78/32/368967832.db2.gz	HKKXNGSRSNONCJ-KHPPLWFESA-N	-1	0	284.311	3.306	40	30		CGEBRM
O=c1[nH]c2cc(Cl)ccc2nc1C=C([O-])c1ccco1	ZINC000104238758	370341562	/nfs/dbraw/zinc/34/15/62/370341562.db2.gz	AUOLAHHXXBRURF-XFFZJAGNSA-N	-1	0	288.690	3.064	40	30		CGEBRM
O=C([O-])COc1ccc(/C=N/c2ccco2)cc1Cl	ZINC000408848179	380022248	/nfs/dbraw/zinc/02/22/48/380022248.db2.gz	QCLBOTXJCIBPJC-VIZOYTHASA-N	-1	0	279.679	3.147	40	30		CGEBRM
CN(C)c1ccc(/N=C/c2cccc([N+](=O)[O-])c2[O-])cc1	ZINC000006247465	170185491	/nfs/dbraw/zinc/18/54/91/170185491.db2.gz	KRKNJFXGGNOVOG-MHWRWJLKSA-N	-1	0	285.303	3.117	40	30		CGEBRM
Cc1cc(/C=N/c2ccc(C(=O)[O-])cc2)c(C)n1C	ZINC000408772926	534017237	/nfs/dbraw/zinc/01/72/37/534017237.db2.gz	NGXHRVRUJPAGTD-CXUHLZMHSA-N	-1	0	256.305	3.091	40	30		CGEBRM
C=C1C(C)(C)[C@@]2(NC(=O)OC(C)(C)C)CC[C@]1(C(=O)[O-])C2	ZINC000085398777	179051359	/nfs/dbraw/zinc/05/13/59/179051359.db2.gz	WEWULZAHWQERJX-JKSUJKDBSA-N	-1	0	295.379	3.101	40	30		CGEBRM
Cc1ccc(/N=C\c2ccc(OCC(=O)[O-])cc2)cc1	ZINC000101548257	185745066	/nfs/dbraw/zinc/74/50/66/185745066.db2.gz	DUHFJAZVSHPHDW-YVLHZVERSA-N	-1	0	269.300	3.209	40	30		CGEBRM
Cc1csc(/C(=N\[O-])c2nc3ccccc3s2)n1	ZINC000003177318	368494806	/nfs/dbraw/zinc/49/48/06/368494806.db2.gz	JHGJTNZMABYPJI-XNTDXEJSSA-N	-1	0	275.358	3.288	40	30		CGEBRM
COc1ccc(/C=N\c2cc([N+](=O)[O-])ccc2[O-])cc1	ZINC000017425249	368733319	/nfs/dbraw/zinc/73/33/19/368733319.db2.gz	HFYHMNDCZZTTCP-DHDCSXOGSA-N	-1	0	272.260	3.060	40	30		CGEBRM
Cc1ccc(C)c(/N=C/c2cc([N+](=O)[O-])ccc2[O-])n1	ZINC000019619187	368758146	/nfs/dbraw/zinc/75/81/46/368758146.db2.gz	OYIDMQNWXLWBEU-OVCLIPMQSA-N	-1	0	271.276	3.063	40	30		CGEBRM
Cc1cc(/C=N/c2ccc(C(=O)[O-])cc2C)c(C)n1C	ZINC000408789538	380022193	/nfs/dbraw/zinc/02/21/93/380022193.db2.gz	MAFXISGGGBBFBV-RQZCQDPDSA-N	-1	0	270.332	3.399	40	30		CGEBRM
COc1ccccc1/N=C/c1ccc([O-])c([N+](=O)[O-])c1	ZINC000408906773	380023041	/nfs/dbraw/zinc/02/30/41/380023041.db2.gz	KFIDMZREDFJWLU-OQLLNIDSSA-N	-1	0	272.260	3.060	40	30		CGEBRM
N#Cc1c(N)nc2c(c1-c1cc(Cl)ccc1[O-])CCCC2	ZINC000408979579	380023691	/nfs/dbraw/zinc/02/36/91/380023691.db2.gz	MYUNNQHCPMXLIC-UHFFFAOYSA-N	-1	0	299.761	3.271	40	30		CGEBRM
COc1cccc(/N=C/c2ccc([O-])c([N+](=O)[O-])c2)c1	ZINC000408963343	380024467	/nfs/dbraw/zinc/02/44/67/380024467.db2.gz	NHXAUGCAZCXRFY-OQLLNIDSSA-N	-1	0	272.260	3.060	40	30		CGEBRM
COC(=O)c1ccc(Cl)c(-c2ccc(/C=N\[O-])o2)c1	ZINC000409007026	380024528	/nfs/dbraw/zinc/02/45/28/380024528.db2.gz	MHUUKLMIJCSWBQ-CHHVJCJISA-N	-1	0	279.679	3.195	40	30		CGEBRM
C[C@H]1CS/C(=C(\C(=O)[O-])C(=O)/C=C/c2ccco2)S1	ZINC000005529500	170109267	/nfs/dbraw/zinc/10/92/67/170109267.db2.gz	WPIBQCLJOVBCHF-CBABZJONSA-N	-1	0	296.369	3.027	40	30		CGEBRM
Cc1cc(/C=N\c2cccc(C)n2)c([O-])c([N+](=O)[O-])c1	ZINC000033900054	301037795	/nfs/dbraw/zinc/03/77/95/301037795.db2.gz	TUZWUZVRMUUNPQ-NVNXTCNLSA-N	-1	0	271.276	3.063	40	30		CGEBRM
C[C@@H](Oc1ccc(/C=N\c2ccccc2F)cc1)C(=O)[O-]	ZINC000408848554	533918287	/nfs/dbraw/zinc/91/82/87/533918287.db2.gz	RAHXBGATOAIYMB-IPHDDYSGSA-N	-1	0	287.290	3.428	40	30		CGEBRM
O=[N+]([O-])c1ccc(-c2ccc(/C=N\[O-])o2)c(Cl)c1	ZINC000138723000	346097510	/nfs/dbraw/zinc/09/75/10/346097510.db2.gz	GBQNRZJRUIHZHB-MLPAPPSSSA-N	-1	0	266.640	3.316	40	30		CGEBRM
O=C([O-])c1ccc2c(c1)C(=O)/C(=C/c1cccc(F)c1)O2	ZINC000085390106	179048027	/nfs/dbraw/zinc/04/80/27/179048027.db2.gz	FNGCQWSPVJYSPZ-AUWJEWJLSA-N	-1	0	284.242	3.140	40	30		CGEBRM
Nc1cc2c(cc1Cl)-c1ccc([N+](=O)[O-])cc1/C2=N/[O-]	ZINC000102881113	370312906	/nfs/dbraw/zinc/31/29/06/370312906.db2.gz	JYFVXBCULVAJRA-SSZFMOIBSA-N	-1	0	289.678	3.037	40	30		CGEBRM
O=C([O-])c1ccccc1/C=C1\Nc2ccccc2C1=O	ZINC000104105908	304267231	/nfs/dbraw/zinc/26/72/31/304267231.db2.gz	FSMBKPJMPCXMRK-ZROIWOOFSA-N	-1	0	265.268	3.034	40	30		CGEBRM
COc1c(Cl)c(C)c(Cl)c(C)c1C#CC(=O)[O-]	ZINC000001610641	391913552	/nfs/dbraw/zinc/91/35/52/391913552.db2.gz	PJEYVWSMGVUORE-UHFFFAOYSA-N	-1	0	273.115	3.055	40	30		CGEBRM
COc1ccc(/C=N\c2ccc(C(=O)[O-])cc2)cc1OC	ZINC000039944948	174176337	/nfs/dbraw/zinc/17/63/37/174176337.db2.gz	GXQAOUFDVRTGGL-YVLHZVERSA-N	-1	0	285.299	3.153	40	30		CGEBRM
O=C([O-])c1ccc2c(c1)C(=O)/C(=C/c1cccs1)O2	ZINC000085390124	179047555	/nfs/dbraw/zinc/04/75/55/179047555.db2.gz	JJLNLVGDWVYQNW-GHXNOFRVSA-N	-1	0	272.281	3.063	40	30		CGEBRM
O=C(/C=C\c1cccnc1)c1cc(Cl)ccc1[O-]	ZINC000017328282	368732051	/nfs/dbraw/zinc/73/20/51/368732051.db2.gz	VVJDTKALEFMOSX-HYXAFXHYSA-N	-1	0	259.692	3.337	40	30		CGEBRM
Cc1ccc(-c2cc(-c3ccccc3)c(C#N)c(=O)[n-]2)o1	ZINC000055175268	369511951	/nfs/dbraw/zinc/51/19/51/369511951.db2.gz	BNQHWJMEPNDQLW-UHFFFAOYSA-N	-1	0	276.295	3.482	40	30		CGEBRM
CN(C)c1ccc(/C=N/c2ccc([N+](=O)[O-])cc2[O-])cc1	ZINC000100375647	370278180	/nfs/dbraw/zinc/27/81/80/370278180.db2.gz	RJNQYCUKGULPSZ-MHWRWJLKSA-N	-1	0	285.303	3.117	40	30		CGEBRM
Cc1cc(/C=N/c2cccc(C(=O)[O-])c2C)c(C)n1C	ZINC000408781871	380023003	/nfs/dbraw/zinc/02/30/03/380023003.db2.gz	FPGBUTZRJIXLMQ-RQZCQDPDSA-N	-1	0	270.332	3.399	40	30		CGEBRM
COc1ccc(C(=O)/C=C\c2ccc3c(c2)OCO3)c([O-])c1	ZINC000005181402	170074111	/nfs/dbraw/zinc/07/41/11/170074111.db2.gz	VZZSETBKCYRDTI-KXFIGUGUSA-N	-1	0	298.294	3.026	40	30		CGEBRM
O=C([O-])C/C(=C\c1ccccc1)C(=O)c1ccccc1	ZINC000005278421	170081882	/nfs/dbraw/zinc/08/18/82/170081882.db2.gz	MHDNANJMWQQRRP-RVDMUPIBSA-N	-1	0	266.296	3.428	40	30		CGEBRM
N#Cc1cc2sc(C(=O)[O-])cc2c(Br)c1	ZINC000214477525	260364496	/nfs/dbraw/zinc/36/44/96/260364496.db2.gz	CPGNJEBWUZICDL-UHFFFAOYSA-N	-1	0	282.118	3.234	40	30		CGEBRM
O=C([O-])c1ccc(/N=C/c2ccc(N3CCCC3)o2)cc1	ZINC000059138264	262387089	/nfs/dbraw/zinc/38/70/89/262387089.db2.gz	SYJJYNGDOVRBHZ-GZTJUZNOSA-N	-1	0	284.315	3.329	40	30		CGEBRM
N#CC=C([O-])c1c(F)c(Cl)ccc1Br	ZINC000098210941	370269488	/nfs/dbraw/zinc/26/94/88/370269488.db2.gz	CFPVGDRNQWDFOX-UHFFFAOYSA-N	-1	0	276.492	3.338	40	30		CGEBRM
COc1cccc(/C=C\C(=O)c2ccccc2[O-])c1	ZINC000004744211	170009830	/nfs/dbraw/zinc/00/98/30/170009830.db2.gz	UKFWQYIIRNXCEQ-KTKRTIGZSA-N	-1	0	254.285	3.297	40	30		CGEBRM
CCCCCCCCCCNC(=O)CCC(=O)[O-]	ZINC000101464250	528126779	/nfs/dbraw/zinc/12/67/79/528126779.db2.gz	YPVYKRHTZVIFLX-UHFFFAOYSA-N	-1	0	257.374	3.108	40	30		CGEBRM
COc1ccc(/C=N/c2ccccc2C(=O)[O-])cc1	ZINC000000061625	368281069	/nfs/dbraw/zinc/28/10/69/368281069.db2.gz	SZIDPRXJWMIIJF-MHWRWJLKSA-N	-1	0	255.273	3.144	40	30		CGEBRM
C=CCOc1c(Cl)c(SC)sc1C(=O)[O-]	ZINC000096510997	392257787	/nfs/dbraw/zinc/25/77/87/392257787.db2.gz	CEFDRXRZKVRTRB-UHFFFAOYSA-N	-1	0	264.755	3.386	40	30		CGEBRM
COc1ccc(/N=C/c2cc(C)cc([N+](=O)[O-])c2[O-])cc1	ZINC000004359251	295063658	/nfs/dbraw/zinc/06/36/58/295063658.db2.gz	UPPRMPSMLVHTQG-CXUHLZMHSA-N	-1	0	286.287	3.368	40	30		CGEBRM
Cc1ccccc1/N=C\c1cccc([N+](=O)[O-])c1[O-]	ZINC000083296111	302077285	/nfs/dbraw/zinc/07/72/85/302077285.db2.gz	REEMAXGGMMEGEI-DHDCSXOGSA-N	-1	0	256.261	3.359	40	30		CGEBRM
O=[N+]([O-])c1ccc([O-])c(/C=N/c2ccc(F)cc2F)c1	ZINC000005287402	230369465	/nfs/dbraw/zinc/36/94/65/230369465.db2.gz	HKGMUEMJMLBVPL-FRKPEAEDSA-N	-1	0	278.214	3.329	40	30		CGEBRM
[O-]c1c(Cl)cc(Cc2ccccc2)cc1/C=N/O	ZINC000030714768	368905962	/nfs/dbraw/zinc/90/59/62/368905962.db2.gz	KZVUJWLYAIPBKV-CXUHLZMHSA-N	-1	0	261.708	3.445	40	30		CGEBRM
COC1=CC(=O)C(C(=O)C=Cc2ccccc2)=C([O-])C1(C)C	ZINC000081149557	369994439	/nfs/dbraw/zinc/99/44/39/369994439.db2.gz	WSDGCFPVOKQCPI-KTKRTIGZSA-N	-1	0	298.338	3.220	40	30		CGEBRM
Cc1ccc(C([O-])=CC(=O)c2ccncc2)cc1C	ZINC000103713009	370333083	/nfs/dbraw/zinc/33/30/83/370333083.db2.gz	OUZAZSXNSILXAC-GDNBJRDFSA-N	-1	0	253.301	3.480	40	30		CGEBRM
C=CCOc1c(C(=O)[O-])cc(C(C)(C)C)cc1[N+](=O)[O-]	ZINC000225284479	376299610	/nfs/dbraw/zinc/29/96/10/376299610.db2.gz	IYMDLSDWCFSRKB-UHFFFAOYSA-N	-1	0	279.292	3.155	40	30		CGEBRM
CC1(C)CC(=O)C=C(Nc2ccc(C(=O)[O-])cc2)C1	ZINC000256270015	377793282	/nfs/dbraw/zinc/79/32/82/377793282.db2.gz	MBSZERUOZLOTSH-UHFFFAOYSA-N	-1	0	259.305	3.237	40	30		CGEBRM
COc1cccc(/C=N/c2ccccc2)c1O[C@H](C)C(=O)[O-]	ZINC000409235738	380028667	/nfs/dbraw/zinc/02/86/67/380028667.db2.gz	QCQUKWINBGUXFI-MBNTZHJCSA-N	-1	0	299.326	3.298	40	30		CGEBRM
Cc1ccc(N=C(CC(=O)c2ccccc2)C(=O)[O-])cc1	ZINC000004859465	170032406	/nfs/dbraw/zinc/03/24/06/170032406.db2.gz	VTHKQWFEISPSGN-PTNGSMBKSA-N	-1	0	281.311	3.258	40	30		CGEBRM
C[C@H](Oc1ccc(/C=N/c2ccc(C#N)cc2)cc1)C(=O)[O-]	ZINC000059247802	262387544	/nfs/dbraw/zinc/38/75/44/262387544.db2.gz	WCCKGYWQNXYCFN-MKFNJMOCSA-N	-1	0	294.310	3.161	40	30		CGEBRM
O=[N+]([O-])c1ccc([O-])c(/C=N\c2ccccc2F)c1	ZINC000083328054	178380937	/nfs/dbraw/zinc/38/09/37/178380937.db2.gz	SZXKPAPTOGVZQQ-NVNXTCNLSA-N	-1	0	260.224	3.190	40	30		CGEBRM
C=C[C@H]1CCCCN1C(=O)[C@@](C)(CC(=O)[O-])CC(C)C	ZINC000634944754	351607429	/nfs/dbraw/zinc/60/74/29/351607429.db2.gz	DIKIMEQHLAUOFJ-XJKSGUPXSA-N	-1	0	281.396	3.081	40	30		CGEBRM
O=C([O-])c1cccc(N=NC=CCc2ccccc2)c1	ZINC000013351344	368651732	/nfs/dbraw/zinc/65/17/32/368651732.db2.gz	CCZSNDTXFKQNMH-NSYQEJESSA-N	-1	0	266.300	3.496	40	30		CGEBRM
O=C(C1=C([O-])c2ccccc2C1=O)c1ccccc1	ZINC000018089184	368739243	/nfs/dbraw/zinc/73/92/43/368739243.db2.gz	XIMBCFNZNWNOEE-UHFFFAOYSA-N	-1	0	250.253	3.035	40	30		CGEBRM
O=C([O-])[C@H]1C/C(=N/O)c2cccc3c2[C@H]1c1ccccc1-3	ZINC000217613974	304174238	/nfs/dbraw/zinc/17/42/38/304174238.db2.gz	HFPSBKMBZPTHQD-JQJXLMDCSA-N	-1	0	279.295	3.082	40	30		CGEBRM
C#CCOc1ccc(CNc2cccc(C(=O)[O-])c2)cc1	ZINC000408603841	527106253	/nfs/dbraw/zinc/10/62/53/527106253.db2.gz	DBJHLMVTDNXIJJ-UHFFFAOYSA-N	-1	0	281.311	3.009	40	30		CGEBRM
COc1cccc(/C=C2\Oc3ccc(C(=O)[O-])cc3C2=O)c1	ZINC000059577158	369582295	/nfs/dbraw/zinc/58/22/95/369582295.db2.gz	JJXFKMZKYXWHAU-NVNXTCNLSA-N	-1	0	296.278	3.010	40	30		CGEBRM
C=CCCC1(C(=O)[O-])CCN(C(=O)OC(C)(C)C)CC1	ZINC000089065176	370037755	/nfs/dbraw/zinc/03/77/55/370037755.db2.gz	DEHWQBGYEBKYPX-UHFFFAOYSA-N	-1	0	283.368	3.055	40	30		CGEBRM
CCCCCCCCCCC[C@@H](NC(C)=O)C(=O)[O-]	ZINC000100302744	370276259	/nfs/dbraw/zinc/27/62/59/370276259.db2.gz	AFNMDHNYMYZBIO-CQSZACIVSA-N	-1	0	271.401	3.497	40	30		CGEBRM
Cc1cc(/C=N/c2cc([N+](=O)[O-])ccc2[O-])c(C)n1C	ZINC000408790486	380022921	/nfs/dbraw/zinc/02/29/21/380022921.db2.gz	SEPIWHLAZOJLDR-OVCLIPMQSA-N	-1	0	273.292	3.006	40	30		CGEBRM
C#Cc1cccc(/N=C\c2cc([N+](=O)[O-])ccc2[O-])c1	ZINC000008659432	170344245	/nfs/dbraw/zinc/34/42/45/170344245.db2.gz	MFJSKNULIOHTJL-YBEGLDIGSA-N	-1	0	266.256	3.032	40	30		CGEBRM
CCc1ccc(O)c(/N=C/c2cccc([N+](=O)[O-])c2[O-])c1	ZINC000003092070	368491659	/nfs/dbraw/zinc/49/16/59/368491659.db2.gz	LKLPUTNAKIZRRI-CXUHLZMHSA-N	-1	0	286.287	3.319	40	30		CGEBRM
O=C1c2ccccc2C([O-])=C1c1cnc2c(n1)CCC=C2	ZINC000005545050	285023657	/nfs/dbraw/zinc/02/36/57/285023657.db2.gz	MGTKAFHRSHSEQQ-UHFFFAOYSA-N	-1	0	276.295	3.059	40	30		CGEBRM
O=C([O-])c1ccccc1/C=C1/Nc2ccccc2C1=O	ZINC000001712344	304266614	/nfs/dbraw/zinc/26/66/14/304266614.db2.gz	FSMBKPJMPCXMRK-NTEUORMPSA-N	-1	0	265.268	3.034	40	30		CGEBRM
O=[N+]([O-])c1cc(Cl)cc(/C=N/c2cccnc2)c1[O-]	ZINC000004712891	170003615	/nfs/dbraw/zinc/00/36/15/170003615.db2.gz	FZJGBHCGLJTWFR-GIDUJCDVSA-N	-1	0	277.667	3.099	40	30		CGEBRM
COc1cc(/C=C/C(=O)c2cc(F)ccc2[O-])ccc1O	ZINC000016159382	170689168	/nfs/dbraw/zinc/68/91/68/170689168.db2.gz	FMEQRZWKCUESAZ-GORDUTHDSA-N	-1	0	288.274	3.142	40	30		CGEBRM
N#Cc1ccccc1COc1ccccc1/C=C/C(=O)[O-]	ZINC000020303909	171141111	/nfs/dbraw/zinc/14/11/11/171141111.db2.gz	DQQFEUIYZRGSQE-MDZDMXLPSA-N	-1	0	279.295	3.235	40	30		CGEBRM
Cc1ccccc1/N=C\c1cccc(OCC(=O)[O-])c1	ZINC000409200054	261148514	/nfs/dbraw/zinc/14/85/14/261148514.db2.gz	GBPAFMAHZZFWBI-YVLHZVERSA-N	-1	0	269.300	3.209	40	30		CGEBRM
COc1ccccc1C/C(=N\[O-])c1ccccc1OC	ZINC000016943434	533984031	/nfs/dbraw/zinc/98/40/31/533984031.db2.gz	IIWBETKTHMPMSB-SAPNQHFASA-N	-1	0	271.316	3.125	40	30		CGEBRM
CCOc1cc(/C=N/c2ccccc2C(=O)[O-])ccc1O	ZINC000000100285	368289342	/nfs/dbraw/zinc/28/93/42/368289342.db2.gz	MDZKZMBPCPQDFR-LICLKQGHSA-N	-1	0	285.299	3.240	40	30		CGEBRM
O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)=C(F)F	ZINC000001713078	368434128	/nfs/dbraw/zinc/43/41/28/368434128.db2.gz	VVFPPSQSAXBLLJ-UHFFFAOYSA-N	-1	0	276.054	3.055	40	30		CGEBRM
COc1ccc(/C=N/c2ccc(F)cc2)cc1C(=O)[O-]	ZINC000100287266	370276117	/nfs/dbraw/zinc/27/61/17/370276117.db2.gz	GWSPKFHSDCWFDX-RQZCQDPDSA-N	-1	0	273.263	3.283	40	30		CGEBRM
CC(C)CN(CC(C)C)/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000001688656	368431631	/nfs/dbraw/zinc/43/16/31/368431631.db2.gz	YALRZEFRXNRKCO-LZYBPNLTSA-N	-1	0	293.367	3.248	40	30		CGEBRM
C=CCc1c(C)nc(C)nc1Nc1ccc(C(=O)[O-])cc1	ZINC000040556503	174330842	/nfs/dbraw/zinc/33/08/42/174330842.db2.gz	QGASYASTAXNCGO-UHFFFAOYSA-N	-1	0	283.331	3.264	40	30		CGEBRM
Cc1ccc(/N=C/c2ccc([O-])c([N+](=O)[O-])c2)cc1	ZINC000111937199	534251920	/nfs/dbraw/zinc/25/19/20/534251920.db2.gz	QTFGAMCRFSRDCT-OQLLNIDSSA-N	-1	0	256.261	3.359	40	30		CGEBRM
CCCCSC/C(=N\[O-])c1cc(C)ccc1O	ZINC000005420803	520941426	/nfs/dbraw/zinc/94/14/26/520941426.db2.gz	UDUBDLGRYWWXNS-WYMLVPIESA-N	-1	0	253.367	3.412	40	30		CGEBRM
O=C([O-])c1ccc2c(c1)C(=O)/C(=C/c1ccc(F)cc1)O2	ZINC000085390107	179047626	/nfs/dbraw/zinc/04/76/26/179047626.db2.gz	JRWQPQMYYINXMF-AUWJEWJLSA-N	-1	0	284.242	3.140	40	30		CGEBRM
Cc1cc(C=NO)c(C)n1-c1ccc(C(=O)[O-])c(Cl)c1	ZINC000408848290	380022753	/nfs/dbraw/zinc/02/27/53/380022753.db2.gz	SXIVKSIZESVGRR-UHFFFAOYSA-N	-1	0	292.722	3.254	40	30		CGEBRM
C=CCOc1cc(Cl)c(C(=O)[O-])cc1OCC	ZINC000225284788	130809044	/nfs/dbraw/zinc/80/90/44/130809044.db2.gz	CWYAGHZCUUNMEB-UHFFFAOYSA-N	-1	0	256.685	3.002	40	30		CGEBRM
Cc1ccc(C(=O)/C=C/c2ccc(OCC(=O)[O-])cc2)cc1	ZINC000007717908	170299019	/nfs/dbraw/zinc/29/90/19/170299019.db2.gz	HNDSXVFMYCQYGK-IZZDOVSWSA-N	-1	0	296.322	3.355	40	30		CGEBRM
N=c1[n-]nc(-c2cccc(/N=C/c3ccccc3O)c2)s1	ZINC000408718294	260027967	/nfs/dbraw/zinc/02/79/67/260027967.db2.gz	QVKPWXVVNVZYMP-RQZCQDPDSA-N	-1	0	296.355	3.074	40	30		CGEBRM
C=C1C[C@]23C[C@@]1(O)CC[C@@H]2c1cccc(C)c1[C@H]3C(=O)[O-]	ZINC000025558091	277815155	/nfs/dbraw/zinc/81/51/55/277815155.db2.gz	IFYWTLQMNWNCFH-KCMWZYNZSA-N	-1	0	284.355	3.122	40	30		CGEBRM
O=C1C(=O)C(c2ccccc2)C(=O)C([O-])=C1c1ccccc1	ZINC000001676595	304619671	/nfs/dbraw/zinc/61/96/71/304619671.db2.gz	HZKFHDXTSAYOSN-UHFFFAOYSA-N	-1	0	292.290	3.077	40	30	biogenic,in-vivo	CGEBRM
COc1cc([O-])c(C(=O)/C=C/c2ccccc2)c(O)c1	ZINC000004252574	368539476	/nfs/dbraw/zinc/53/94/76/368539476.db2.gz	CUGDOWNTXKLQMD-BQYQJAHWSA-N	-1	0	270.284	3.003	40	30	endogenous,in-man	CGEBRM
CCn1c(=O)c(/C=N/c2ccccc2)c([O-])c2ccccc21	ZINC000100192863	370273896	/nfs/dbraw/zinc/27/38/96/370273896.db2.gz	IHIALVFGTLQRRR-XDHOZWIPSA-N	-1	0	292.338	3.478	40	30		CGEBRM
O=C(CCc1ccccc1)/C(=N\[O-])c1ccccc1	ZINC000004701231	170001446	/nfs/dbraw/zinc/00/14/46/170001446.db2.gz	YVRSIGPHJPCGOJ-MSUUIHNZSA-N	-1	0	253.301	3.067	40	30		CGEBRM
N=C1SC(=Cc2ccco2)C([O-])=C1c1nccs1	ZINC000108925537	345940004	/nfs/dbraw/zinc/94/00/04/345940004.db2.gz	VOVOZBLKALDHKN-QEDIJHPOSA-N	-1	0	276.342	3.154	40	30		CGEBRM
C[C@@H](Oc1ccc(/C=N\OCc2ccccc2)cc1)C(=O)[O-]	ZINC000208349882	346284690	/nfs/dbraw/zinc/28/46/90/346284690.db2.gz	KYDNFWCNDYLFHV-NCUBORBFSA-N	-1	0	299.326	3.089	40	30		CGEBRM
CC(C)(C)c1cc(Br)c([O-])c(C#N)c1	ZINC000142451145	371513367	/nfs/dbraw/zinc/51/33/67/371513367.db2.gz	KHUJZEFKLYNCLN-UHFFFAOYSA-N	-1	0	254.127	3.324	40	30		CGEBRM
C[C@H](C(=O)[O-])c1ccc(/C=C2\CCCCC2=O)cc1	ZINC000000000589	169502431	/nfs/dbraw/zinc/50/24/31/169502431.db2.gz	AUZUGWXLBGZUPP-IWQAVIMZSA-N	-1	0	258.317	3.401	40	30	world	CGEBRM
Cc1cccc(C(=N/[O-])/C(=N\O)c2cccc(C)c2)c1	ZINC000408731234	380021326	/nfs/dbraw/zinc/02/13/26/380021326.db2.gz	LKTSFKIGVNJARH-IQRFGFHNSA-N	-1	0	268.316	3.360	40	30		CGEBRM
COc1ccc(/C=C\C(=O)c2ccccc2[O-])c(OC)c1	ZINC000004887085	170036567	/nfs/dbraw/zinc/03/65/67/170036567.db2.gz	ORIBPRISLKRPRQ-NTMALXAHSA-N	-1	0	284.311	3.306	40	30		CGEBRM
N=c1[n-]nc(-c2cccc(/N=C/c3ccccc3)c2)s1	ZINC000408718063	260027954	/nfs/dbraw/zinc/02/79/54/260027954.db2.gz	GNDXDTNPRXCXPR-LICLKQGHSA-N	-1	0	280.356	3.368	40	30		CGEBRM
CCN(/C=C/C(=O)c1cc(Cl)ccc1[O-])CC	ZINC000000113128	368293420	/nfs/dbraw/zinc/29/34/20/368293420.db2.gz	BJYYZGIRVFDQPT-BQYQJAHWSA-N	-1	0	253.729	3.084	40	30		CGEBRM
O=C([O-])c1ccc(/N=C/c2cccc([N+](=O)[O-])c2)cc1	ZINC000000498793	368380175	/nfs/dbraw/zinc/38/01/75/368380175.db2.gz	YMWVVSQLJBOUKA-OQLLNIDSSA-N	-1	0	270.244	3.044	40	30		CGEBRM
O=C([O-])c1cccc(/N=C/c2cc(Cl)ccc2O)c1	ZINC000000498923	368380385	/nfs/dbraw/zinc/38/03/85/368380385.db2.gz	MZGRTQSDSPXSJF-LZYBPNLTSA-N	-1	0	275.691	3.494	40	30		CGEBRM
COc1ccc(/C=N/c2ccccc2)cc1C(=O)[O-]	ZINC000100287276	370275756	/nfs/dbraw/zinc/27/57/56/370275756.db2.gz	BKXZDAPPAPRYAF-MHWRWJLKSA-N	-1	0	255.273	3.144	40	30		CGEBRM
Cc1sc([N-]S(=O)(=O)c2ccccc2)c(C#N)c1C	ZINC000059413046	392117362	/nfs/dbraw/zinc/11/73/62/392117362.db2.gz	CLVDIHGRYMVTNN-UHFFFAOYSA-N	-1	0	292.385	3.037	40	30		CGEBRM
Cc1cc(C#N)c(C)n1-c1cc(C(=O)[O-])ccc1Cl	ZINC000223716621	301073015	/nfs/dbraw/zinc/07/30/15/301073015.db2.gz	MDQMXLGHQADUDS-UHFFFAOYSA-N	-1	0	274.707	3.317	40	30		CGEBRM
COc1ccc(/C=N/c2ccc(C)cc2)cc1C(=O)[O-]	ZINC000100287233	185711266	/nfs/dbraw/zinc/71/12/66/185711266.db2.gz	LBVFBEUDKIYPJF-LICLKQGHSA-N	-1	0	269.300	3.452	40	30		CGEBRM
Cc1cc(C#N)c(C)n1-c1sc(C)c(C)c1C(=O)[O-]	ZINC000223717893	376260836	/nfs/dbraw/zinc/26/08/36/376260836.db2.gz	PTERXLAOMNBNOT-UHFFFAOYSA-N	-1	0	274.345	3.342	40	30		CGEBRM
COc1ccc2c(c1)C([O-])=C(CC=C(C)C)C(=O)C2=O	ZINC000004878301	170035430	/nfs/dbraw/zinc/03/54/30/170035430.db2.gz	LYJBPZRSCCLQPB-UHFFFAOYSA-N	-1	0	272.300	3.243	40	30		CGEBRM
COc1cccc(/N=C/c2ccc(O[C@H](C)C(=O)[O-])cc2)c1	ZINC000059248782	262387315	/nfs/dbraw/zinc/38/73/15/262387315.db2.gz	YRXQYHPFOOCIIA-MBNTZHJCSA-N	-1	0	299.326	3.298	40	30		CGEBRM
N#Cc1cc(Br)c(=O)[n-]c1-c1ccccc1	ZINC000096510635	345903004	/nfs/dbraw/zinc/90/30/04/345903004.db2.gz	OPMBKNVVUQQJNR-UHFFFAOYSA-N	-1	0	275.105	3.088	40	30		CGEBRM
C#CCOc1ccccc1CNc1cccc(C(=O)[O-])c1	ZINC000037301400	369081852	/nfs/dbraw/zinc/08/18/52/369081852.db2.gz	ZLCDAMZXELPEIO-UHFFFAOYSA-N	-1	0	281.311	3.009	40	30		CGEBRM
C=CCOc1c(C)cc(Br)cc1C(=O)[O-]	ZINC000225278974	376299660	/nfs/dbraw/zinc/29/96/60/376299660.db2.gz	AHRSPFLRBMPYFN-UHFFFAOYSA-N	-1	0	271.110	3.021	40	30		CGEBRM
Cc1cccc(/N=C\c2ccc([O-])c([N+](=O)[O-])c2)c1	ZINC000015223334	391933173	/nfs/dbraw/zinc/93/31/73/391933173.db2.gz	KGFPPNIFUPOGGP-DHDCSXOGSA-N	-1	0	256.261	3.359	40	30		CGEBRM
CC(=NNc1ccc(C(=O)[O-])cc1)c1ccc(C#N)cc1	ZINC000040161279	174196464	/nfs/dbraw/zinc/19/64/64/174196464.db2.gz	DHYUUYWRXCDRCV-WQRHYEAKSA-N	-1	0	279.299	3.093	40	30		CGEBRM
Cc1cc(/C=N/c2cccc(C(=O)[O-])c2)c(C)n1C	ZINC000408786666	230409703	/nfs/dbraw/zinc/40/97/03/230409703.db2.gz	UKQHAVGQKYFJKL-CXUHLZMHSA-N	-1	0	256.305	3.091	40	30		CGEBRM
N#Cc1c(=O)[n-]cc(Br)c1-c1ccccc1	ZINC000256051733	346399699	/nfs/dbraw/zinc/39/96/99/346399699.db2.gz	KJLJADINVYLGJA-UHFFFAOYSA-N	-1	0	275.105	3.088	40	30		CGEBRM
CSc1ccc(/C(CNC(=O)OC(C)(C)C)=N\[O-])cc1	ZINC000599884687	347774506	/nfs/dbraw/zinc/77/45/06/347774506.db2.gz	SIFPEWUTNWZCCV-VBKFSLOCSA-N	-1	0	296.392	3.112	40	30		CGEBRM
COc1cccc(C(C)=NNc2cccc(C(=O)[O-])c2)c1	ZINC000013337243	368651796	/nfs/dbraw/zinc/65/17/96/368651796.db2.gz	NOVKXKYXJOYLMO-GZTJUZNOSA-N	-1	0	284.315	3.230	40	30		CGEBRM
O=C(/C(=N\[O-])c1ccc(Cl)cc1)c1ccccc1	ZINC000016978868	368723824	/nfs/dbraw/zinc/72/38/24/368723824.db2.gz	FHODHVXMGYXGGR-SSZFMOIBSA-N	-1	0	259.692	3.401	40	30		CGEBRM
CCCc1[n-]n(-c2nc3ccccc3o2)c(=O)c1CCC#N	ZINC000014607913	368683253	/nfs/dbraw/zinc/68/32/53/368683253.db2.gz	BFPAZXZYOVWEJZ-UHFFFAOYSA-N	-1	0	296.330	3.128	40	30		CGEBRM
CCCCCCCNC1=C([O-])C(=O)c2ccccc2C1=O	ZINC000043278760	369247957	/nfs/dbraw/zinc/24/79/57/369247957.db2.gz	KGWXXPFJKNBLKP-UHFFFAOYSA-N	-1	0	287.359	3.395	40	30		CGEBRM
C/C(=N\c1ccc(Cl)cc1N)c1c([O-])cc(C)oc1=O	ZINC000104237130	370341415	/nfs/dbraw/zinc/34/14/15/370341415.db2.gz	IXSQQLXHDWOVBS-CAOOACKPSA-N	-1	0	292.722	3.030	40	30		CGEBRM
COc1cc(/C=N/c2ccccc2)ccc1O[C@@H](C)C(=O)[O-]	ZINC000409017194	380026015	/nfs/dbraw/zinc/02/60/15/380026015.db2.gz	FFCARKPXCYMFQR-HWQJWEFDSA-N	-1	0	299.326	3.298	40	30		CGEBRM
C[C@H](Oc1ccc(/C=N/c2ccccc2)cc1)C(=O)[O-]	ZINC000059303209	392117686	/nfs/dbraw/zinc/11/76/86/392117686.db2.gz	UCEYHQBZDJGTNC-OOIIIRTPSA-N	-1	0	269.300	3.289	40	30		CGEBRM
O=C([O-])c1ccccc1/C=C/C(=O)c1ccccc1	ZINC000020508971	171229639	/nfs/dbraw/zinc/22/96/39/171229639.db2.gz	NQVMXJURHZVMKR-ZHACJKMWSA-N	-1	0	252.269	3.281	40	30		CGEBRM
C[C@@H](Oc1ccc(/C=N/c2cccc(F)c2)cc1)C(=O)[O-]	ZINC000059678608	262391297	/nfs/dbraw/zinc/39/12/97/262391297.db2.gz	RHLAPLHNJZCZNT-VDCVXVNISA-N	-1	0	287.290	3.428	40	30		CGEBRM
C=CCC[C@]1(C(=O)[O-])CCCN(C(=O)OC(C)(C)C)C1	ZINC000089065442	277839263	/nfs/dbraw/zinc/83/92/63/277839263.db2.gz	FWLANCKSKXDFAN-HNNXBMFYSA-N	-1	0	283.368	3.055	40	30		CGEBRM
COc1ccc2c(ccc3c2CCC(C=O)=C3[O-])c1	ZINC000100583854	295278179	/nfs/dbraw/zinc/27/81/79/295278179.db2.gz	FWAIOFYCRRENLB-PKNBQFBNSA-N	-1	0	254.285	3.419	40	30		CGEBRM
O=C([O-])c1ccc2c(c1)C(=O)/C(=C/c1ccccc1F)O2	ZINC000085390101	179047947	/nfs/dbraw/zinc/04/79/47/179047947.db2.gz	LCKNXEVKBZRASQ-ZSOIEALJSA-N	-1	0	284.242	3.140	40	30		CGEBRM
N#C[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)[O-]	ZINC000585656308	346726171	/nfs/dbraw/zinc/72/61/71/346726171.db2.gz	COWQSAYDZSJOQS-HNNXBMFYSA-N	-1	0	251.285	3.120	40	30		CGEBRM
O=c1oc2ccccc2cc1/N=C/c1ccccc1O	ZINC000002387477	368452666	/nfs/dbraw/zinc/45/26/66/368452666.db2.gz	UCXAFCDYVZFKKR-LICLKQGHSA-N	-1	0	265.268	3.249	40	30	in-vitro	CGEBRM
CCSc1[n-]c(=O)c(-c2cccs2)cc1C#N	ZINC000016693641	368719565	/nfs/dbraw/zinc/71/95/65/368719565.db2.gz	RIZNVBDQYOONDH-UHFFFAOYSA-N	-1	0	262.359	3.087	40	30		CGEBRM
COc1ccc(/C=N\c2ccccc2C(=O)[O-])cc1	ZINC000017159945	368728787	/nfs/dbraw/zinc/72/87/87/368728787.db2.gz	SZIDPRXJWMIIJF-YBEGLDIGSA-N	-1	0	255.273	3.144	40	30		CGEBRM
O=C([O-])CO/N=C/c1c2ccccc2cc2ccccc21	ZINC000033662531	368967774	/nfs/dbraw/zinc/96/77/74/368967774.db2.gz	JWNOUEKJFGTGHW-VCHYOVAHSA-N	-1	0	279.295	3.428	40	30		CGEBRM
CCOc1ccc(-c2ccc(/C=N/[O-])o2)c([N+](=O)[O-])c1	ZINC000070461177	369800733	/nfs/dbraw/zinc/80/07/33/369800733.db2.gz	UTRNQFWPMJLPFW-RIYZIHGNSA-N	-1	0	276.248	3.062	40	30		CGEBRM
COc1cc([O-])c(C(=O)/C=C\c2ccccc2)c(O)c1	ZINC000073067678	369849751	/nfs/dbraw/zinc/84/97/51/369849751.db2.gz	CUGDOWNTXKLQMD-FPLPWBNLSA-N	-1	0	270.284	3.003	40	30		CGEBRM
O=c1[nH]c2cc(Cl)ccc2nc1C=C([O-])c1ccco1	ZINC000104238765	370341860	/nfs/dbraw/zinc/34/18/60/370341860.db2.gz	AUOLAHHXXBRURF-YRNVUSSQSA-N	-1	0	288.690	3.064	40	30		CGEBRM
COc1cc(C)c(/C=N/c2cccc(C(=O)[O-])c2)cc1OC	ZINC000408549158	380017551	/nfs/dbraw/zinc/01/75/51/380017551.db2.gz	QCBJCOPUALJSMZ-VCHYOVAHSA-N	-1	0	299.326	3.461	40	30		CGEBRM
Cc1nonc1/N=C/c1cc(Cl)cc(Cl)c1[O-]	ZINC000005378437	170091659	/nfs/dbraw/zinc/09/16/59/170091659.db2.gz	ARHDUPPEOUUGMA-YIXHJXPBSA-N	-1	0	272.091	3.141	40	30		CGEBRM
N#CC(=C([O-])C(=O)Nc1cccc(Cl)c1)c1ccccc1	ZINC000006575690	170214960	/nfs/dbraw/zinc/21/49/60/170214960.db2.gz	RWGFMBWGORPXSX-AWEZNQCLSA-N	-1	0	298.729	3.155	40	30		CGEBRM
COc1ccc(/C=C2\Oc3ccc(C(=O)[O-])cc3C2=O)cc1	ZINC000039598952	174170967	/nfs/dbraw/zinc/17/09/67/174170967.db2.gz	IUZRRHGELKBZSV-NVNXTCNLSA-N	-1	0	296.278	3.010	40	30		CGEBRM
CCOc1ccccc1/N=C\c1cc([N+](=O)[O-])ccc1[O-]	ZINC000083292241	260189380	/nfs/dbraw/zinc/18/93/80/260189380.db2.gz	ZTDAQBGTVDNAQL-YBEGLDIGSA-N	-1	0	286.287	3.450	40	30		CGEBRM
COc1cc(/C=N/c2ccccc2C)cc([N+](=O)[O-])c1[O-]	ZINC000008570835	344874283	/nfs/dbraw/zinc/87/42/83/344874283.db2.gz	VDXZTEKRDYPBAR-CXUHLZMHSA-N	-1	0	286.287	3.368	40	30		CGEBRM
N#C[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)[O-]	ZINC000585656309	346725992	/nfs/dbraw/zinc/72/59/92/346725992.db2.gz	COWQSAYDZSJOQS-OAHLLOKOSA-N	-1	0	251.285	3.120	40	30		CGEBRM
COc1ccc(C(=O)/C=C/c2ccc3c(c2)OCO3)c([O-])c1	ZINC000017025360	368727617	/nfs/dbraw/zinc/72/76/17/368727617.db2.gz	VZZSETBKCYRDTI-QHHAFSJGSA-N	-1	0	298.294	3.026	40	30		CGEBRM
COc1ccc(C(=O)/C=C\c2ccccc2)c([O-])c1	ZINC000017381066	368733860	/nfs/dbraw/zinc/73/38/60/368733860.db2.gz	GUNGQVJAKLIYDG-YFHOEESVSA-N	-1	0	254.285	3.297	40	30		CGEBRM
O=C([O-])[C@H]1C/C(=N/O)c2cccc3c2[C@@H]1c1ccccc1-3	ZINC000217614120	304174231	/nfs/dbraw/zinc/17/42/31/304174231.db2.gz	HFPSBKMBZPTHQD-CIBUDHOYSA-N	-1	0	279.295	3.082	40	30		CGEBRM
CN(C)c1ccc(/N=C\c2ccc([O-])c([N+](=O)[O-])c2)cc1	ZINC000408963886	380024659	/nfs/dbraw/zinc/02/46/59/380024659.db2.gz	PWBKGOOHHGAVIL-YBEGLDIGSA-N	-1	0	285.303	3.117	40	30		CGEBRM
Cc1ccc(C)c(NC(=O)COc2ccccc2/C=N\[O-])c1	ZINC000409269994	380027496	/nfs/dbraw/zinc/02/74/96/380027496.db2.gz	NHYLYXONMWOPMF-ZDLGFXPLSA-N	-1	0	298.342	3.129	40	30		CGEBRM
CCCCCCCS(=O)(=O)c1nc2ccccc2[n-]1	ZINC000050704697	520066836	/nfs/dbraw/zinc/06/68/36/520066836.db2.gz	XAYBQTIOWTUMOV-UHFFFAOYSA-N	-1	0	280.393	3.307	40	30		CGEBRM
N#Cc1c(-c2ccc(Cl)cc2Cl)[n-]c(=O)[nH]c1=S	ZINC000227149734	283071797	/nfs/dbraw/zinc/07/17/97/283071797.db2.gz	WFLAAILQOWLTMM-UHFFFAOYSA-N	-1	0	298.154	3.278	40	30		CGEBRM
O=[N+]([O-])c1cc(/C=N/c2ccc(F)cc2)ccc1[O-]	ZINC000408904547	380022110	/nfs/dbraw/zinc/02/21/10/380022110.db2.gz	LGCMURRMJWBPKC-OVCLIPMQSA-N	-1	0	260.224	3.190	40	30		CGEBRM
CCOc1cccc(/N=C\c2ccc([O-])c([N+](=O)[O-])c2)c1	ZINC000408905354	380022663	/nfs/dbraw/zinc/02/26/63/380022663.db2.gz	XSFNOMQRNLXNBL-YBEGLDIGSA-N	-1	0	286.287	3.450	40	30		CGEBRM
O=[N+]([O-])c1cc(/C=N/c2ccc(F)cc2F)ccc1[O-]	ZINC000408962645	380024969	/nfs/dbraw/zinc/02/49/69/380024969.db2.gz	IUPJHVHVOWHSHL-FRKPEAEDSA-N	-1	0	278.214	3.329	40	30		CGEBRM
CC1=NOC(=O)/C1=C\c1cc(Cl)c([O-])c(Cl)c1	ZINC000409083002	392973326	/nfs/dbraw/zinc/97/33/26/392973326.db2.gz	RSABYVPXDQPGGH-UQCOIBPSSA-N	-1	0	272.087	3.015	40	30		CGEBRM
CCC(N=Nc1ccc(C(=O)[O-])cc1)c1ccc(O)cc1	ZINC000007890688	170306498	/nfs/dbraw/zinc/30/64/98/170306498.db2.gz	HPBINUNUQWVBPQ-OBGWFSINSA-N	-1	0	284.315	3.317	40	30		CGEBRM
C=CCCC(C)(C)COC(=O)N[C@H](C(=O)[O-])C(C)(C)C	ZINC000072232705	176344352	/nfs/dbraw/zinc/34/43/52/176344352.db2.gz	SQRDVSLNJDVGSP-LLVKDONJSA-N	-1	0	285.384	3.204	40	30		CGEBRM
O=C([O-])c1cccc(/N=C/c2ccc(N3CCCC3)o2)c1	ZINC000059138587	262386913	/nfs/dbraw/zinc/38/69/13/262386913.db2.gz	UIBXUMYBCQGDPC-GZTJUZNOSA-N	-1	0	284.315	3.329	40	30		CGEBRM
COc1cccc(/N=C/c2ccc(O[C@@H](C)C(=O)[O-])cc2)c1	ZINC000059248781	262387335	/nfs/dbraw/zinc/38/73/35/262387335.db2.gz	YRXQYHPFOOCIIA-HWQJWEFDSA-N	-1	0	299.326	3.298	40	30		CGEBRM
Cc1oc(/N=C/c2cc([N+](=O)[O-])ccc2[O-])c(C#N)c1C	ZINC000059502768	262390466	/nfs/dbraw/zinc/39/04/66/262390466.db2.gz	XZAAXFDFGISERL-FRKPEAEDSA-N	-1	0	285.259	3.133	40	30		CGEBRM
[O-]/N=C1\CCCc2nn(-c3ccc(Cl)c(Cl)c3)nc21	ZINC000015228006	303516828	/nfs/dbraw/zinc/51/68/28/303516828.db2.gz	KCCQSGJMAUARKQ-GZTJUZNOSA-N	-1	0	297.145	3.089	40	30		CGEBRM
Cc1cc(/C=N/c2ccc(C(=O)[O-])cc2)cc(C)c1O	ZINC000008301173	344873669	/nfs/dbraw/zinc/87/36/69/344873669.db2.gz	SKLCVNBURUISFR-RQZCQDPDSA-N	-1	0	269.300	3.458	40	30		CGEBRM
COc1ccc(OC)c(/C=C\C(=O)c2ccccc2[O-])c1	ZINC000004691811	368556471	/nfs/dbraw/zinc/55/64/71/368556471.db2.gz	URPAREMBXBSUFI-CLFYSBASSA-N	-1	0	284.311	3.306	40	30		CGEBRM
CCCCCCCCCCNC(=O)CSCC(=O)[O-]	ZINC000100978087	370286458	/nfs/dbraw/zinc/28/64/58/370286458.db2.gz	IYUDIFHAXVCCBJ-UHFFFAOYSA-N	-1	0	289.441	3.061	40	30		CGEBRM
CC(=NNc1cccc(C(=O)[O-])c1)c1cc(C)ccc1O	ZINC000102950299	370315981	/nfs/dbraw/zinc/31/59/81/370315981.db2.gz	GTQSWLLHCCLPLF-GZTJUZNOSA-N	-1	0	284.315	3.235	40	30		CGEBRM
[O-]/N=C/c1ccccc1OCc1cnc2ccccc2n1	ZINC000016449073	391934863	/nfs/dbraw/zinc/93/48/63/391934863.db2.gz	DZIQXTDKRXYJHH-GIJQJNRQSA-N	-1	0	279.299	3.017	40	30		CGEBRM
CC(=CC(=O)c1ccc(C)o1)Nc1ccccc1C(=O)[O-]	ZINC000409353673	527521193	/nfs/dbraw/zinc/52/11/93/527521193.db2.gz	PIVAFTWWTVYOTF-MDZDMXLPSA-N	-1	0	285.299	3.485	40	30		CGEBRM
COc1cc(/C=N/c2ccccc2)cc([N+](=O)[O-])c1[O-]	ZINC000008109774	344871668	/nfs/dbraw/zinc/87/16/68/344871668.db2.gz	WAACORPSGWROMK-OQLLNIDSSA-N	-1	0	272.260	3.060	40	30		CGEBRM
C=C[C@@H]1CCCCN1C(=O)[C@@](C)(CC(=O)[O-])CC(C)C	ZINC000634944753	351607397	/nfs/dbraw/zinc/60/73/97/351607397.db2.gz	DIKIMEQHLAUOFJ-CZUORRHYSA-N	-1	0	281.396	3.081	40	30		CGEBRM
O=C([O-])CC1=C(c2ccc3c(c2)CCCC3)CCC1=O	ZINC000001708670	368432460	/nfs/dbraw/zinc/43/24/60/368432460.db2.gz	HMCVHWBJGDXPFX-UHFFFAOYSA-N	-1	0	270.328	3.157	40	30		CGEBRM
O=C([O-])c1ccc(Cl)c(-c2ccc(/C=N\O)o2)c1	ZINC000409005637	380024343	/nfs/dbraw/zinc/02/43/43/380024343.db2.gz	FXLIQJWOVQUANE-NSIKDUERSA-N	-1	0	265.652	3.106	40	30		CGEBRM
CC1=C[C@@H]2CC[C@H]1C1=C2C(=O)c2ccccc2/C1=N/[O-]	ZINC000102318726	392271874	/nfs/dbraw/zinc/27/18/74/392271874.db2.gz	PAVYJGXZDGULHD-VBKGKPAISA-N	-1	0	265.312	3.344	40	30		CGEBRM
Cc1cc(N=Cc2c(C)[n-]n(-c3ccc(C)cc3)c2=O)no1	ZINC000008319222	170330672	/nfs/dbraw/zinc/33/06/72/170330672.db2.gz	XDLKHQKWSUMIBU-RQZCQDPDSA-N	-1	0	296.330	3.242	40	30		CGEBRM
CCCCCCCCCCC[C@@H](O)S(=O)(=O)[O-]	ZINC000104256315	185946283	/nfs/dbraw/zinc/94/62/83/185946283.db2.gz	RVKLXMNYCBBYDL-LBPRGKRZSA-N	-1	0	266.403	3.114	40	30		CGEBRM
CCOc1ccc(C([O-])=CC(=O)c2ccncc2)cc1	ZINC000103713021	370333327	/nfs/dbraw/zinc/33/33/27/370333327.db2.gz	GQFLDVUXJCWXEV-WJDWOHSUSA-N	-1	0	269.300	3.262	40	30		CGEBRM
COc1cc(C)c(/C=N/c2ccc(C(=O)[O-])cc2)cc1OC	ZINC000408548638	380018189	/nfs/dbraw/zinc/01/81/89/380018189.db2.gz	KEBBIFGYYLOWNI-VCHYOVAHSA-N	-1	0	299.326	3.461	40	30		CGEBRM
O=C([O-])c1ccc(NC(=S)NC2CCCCC2)cc1	ZINC000008686867	170346025	/nfs/dbraw/zinc/34/60/25/170346025.db2.gz	QJEZMLRPVYNMOA-UHFFFAOYSA-N	-1	0	278.377	3.415	40	30		CGEBRM
O=C([O-])/C=C/[C@@](F)(C(F)(F)F)C(F)(F)C(F)(F)F	ZINC000095682098	260556717	/nfs/dbraw/zinc/55/67/17/260556717.db2.gz	AYHWXFOMIRCWPY-QPHDTYRISA-N	-1	0	290.081	3.095	40	30		CGEBRM
COc1ccc(/N=C\c2cccc([N+](=O)[O-])c2[O-])cc1	ZINC000103310692	295064269	/nfs/dbraw/zinc/06/42/69/295064269.db2.gz	HXSJOALSTMCZFS-DHDCSXOGSA-N	-1	0	272.260	3.060	40	30		CGEBRM
COc1ccc(/C=N/c2ccccc2C(=O)[O-])cc1OC	ZINC000095851148	185029660	/nfs/dbraw/zinc/02/96/60/185029660.db2.gz	FXVNLJYBLRLPGG-LICLKQGHSA-N	-1	0	285.299	3.153	40	30		CGEBRM
CN(C)c1ccc(/C=N\c2ccc([N+](=O)[O-])cc2[O-])cc1	ZINC000018044924	368737432	/nfs/dbraw/zinc/73/74/32/368737432.db2.gz	RJNQYCUKGULPSZ-YBEGLDIGSA-N	-1	0	285.303	3.117	40	30		CGEBRM
COc1cc(O)cc([O-])c1C(=O)/C=C\c1ccccc1	ZINC000028537782	368886232	/nfs/dbraw/zinc/88/62/32/368886232.db2.gz	NYSZJNUIVUBQMM-FPLPWBNLSA-N	-1	0	270.284	3.003	40	30		CGEBRM
C=C(CC/C=C(\C)C(=O)[O-])[C@]1(O)CC=C(C)CC1	ZINC000031166643	368913002	/nfs/dbraw/zinc/91/30/02/368913002.db2.gz	RMCNAGFAGLJBPK-LYOQKUPSSA-N	-1	0	250.338	3.215	40	30	biogenic,in-vitro	CGEBRM
COc1ccc(/N=C\c2ccc(O[C@@H](C)C(=O)[O-])cc2)cc1	ZINC000408849899	380022391	/nfs/dbraw/zinc/02/23/91/380022391.db2.gz	AKXIAMFCJSHPEF-SJWFJVLYSA-N	-1	0	299.326	3.298	40	30		CGEBRM
O=[N+]([O-])c1cc(/C=N/c2cccc(F)c2)ccc1[O-]	ZINC000408963711	380024168	/nfs/dbraw/zinc/02/41/68/380024168.db2.gz	OQAZVKGSENHHMV-OVCLIPMQSA-N	-1	0	260.224	3.190	40	30		CGEBRM
CCCCCCCCNC(=O)c1ccccc1C(=O)[O-]	ZINC000001700290	528129364	/nfs/dbraw/zinc/12/93/64/528129364.db2.gz	NRHPZGCFLLISEZ-UHFFFAOYSA-N	-1	0	277.364	3.475	40	30		CGEBRM
C[C@H](Oc1ccc(/C=N\OCc2ccccc2)cc1)C(=O)[O-]	ZINC000208349843	346284655	/nfs/dbraw/zinc/28/46/55/346284655.db2.gz	KYDNFWCNDYLFHV-FHNWIRHTSA-N	-1	0	299.326	3.089	40	30		CGEBRM
O=C([O-])c1ccc2c(c1)C(=O)/C(=C/c1ccccc1)O2	ZINC000085390099	179047704	/nfs/dbraw/zinc/04/77/04/179047704.db2.gz	UYQZENTUGNQVCJ-ZSOIEALJSA-N	-1	0	266.252	3.001	40	30		CGEBRM
COc1ccc([C@H]2C/C(=N/[O-])c3ccccc3O2)cc1	ZINC000104393020	370343382	/nfs/dbraw/zinc/34/33/82/370343382.db2.gz	KTYXFISMBDNKHD-DXFLKOCDSA-N	-1	0	269.300	3.397	40	30		CGEBRM
O=C([O-])CC(=O)C=Cc1cccc(Cl)c1Cl	ZINC000040442813	174263482	/nfs/dbraw/zinc/26/34/82/174263482.db2.gz	BLMPSNHTIINIJJ-SNAWJCMRSA-N	-1	0	259.088	3.050	40	30		CGEBRM
[O-]c1c(Cl)c(-c2ccc(O)c(F)c2)ccc1/C=N/O	ZINC000040845165	303516663	/nfs/dbraw/zinc/51/66/63/303516663.db2.gz	LRRMQNGSYOUANY-OMCISZLKSA-N	-1	0	281.670	3.365	40	30	in-vitro	CGEBRM
CN(C)N=Cc1ccc(-c2ccc(Cl)c(C(=O)[O-])c2)o1	ZINC000245204337	334184819	/nfs/dbraw/zinc/18/48/19/334184819.db2.gz	YHEZOPIAESEIIK-UHFFFAOYSA-N	-1	0	292.722	3.194	40	30		CGEBRM
O=C(/C=N\[O-])Nc1cc(Cl)c(Cl)cc1Cl	ZINC000104139604	185907943	/nfs/dbraw/zinc/90/79/43/185907943.db2.gz	NPRMLBHENAYKIM-BASWHVEKSA-N	-1	0	267.499	3.045	40	30		CGEBRM
O=C([O-])/C=C/c1ccc(C#Cc2ccccc2)s1	ZINC000044201126	304023803	/nfs/dbraw/zinc/02/38/03/304023803.db2.gz	RNYMMTQPUCUCAW-ZHACJKMWSA-N	-1	0	254.310	3.246	40	30		CGEBRM
O=C([O-])C(CCS)(c1ccccc1)c1ccccc1	ZINC000004775688	368558824	/nfs/dbraw/zinc/55/88/24/368558824.db2.gz	ZWILEONEUTXNPU-UHFFFAOYSA-N	-1	0	272.369	3.377	40	30		CGEBRM
COc1ccc(/C=N/c2cccc(C)c2)cc1C(=O)[O-]	ZINC000100287208	370275671	/nfs/dbraw/zinc/27/56/71/370275671.db2.gz	FASZTOPFXPYVPA-LICLKQGHSA-N	-1	0	269.300	3.452	40	30		CGEBRM
COc1ccc(C(=O)/C=C\c2ccccc2O)c([O-])c1	ZINC000004934328	170042421	/nfs/dbraw/zinc/04/24/21/170042421.db2.gz	SILQXAXNJHVTEY-TWGQIWQCSA-N	-1	0	270.284	3.003	40	30		CGEBRM
O=[N+]([O-])c1ccc([O-])c(/C=N/c2ccc(O)cc2Cl)c1	ZINC000005344243	170087764	/nfs/dbraw/zinc/08/77/64/170087764.db2.gz	PQMKUPWTMJJPJT-VIZOYTHASA-N	-1	0	292.678	3.410	40	30		CGEBRM
O=C([O-])C(C(=O)/C=C/c1cccs1)=C1SCCS1	ZINC000005770466	170138876	/nfs/dbraw/zinc/13/88/76/170138876.db2.gz	BGQDBBAUPMKYTL-ONEGZZNKSA-N	-1	0	298.410	3.107	40	30		CGEBRM
CN(C)c1ccc(/C=N\c2cc([N+](=O)[O-])ccc2[O-])cc1	ZINC000090719158	180030673	/nfs/dbraw/zinc/03/06/73/180030673.db2.gz	OKSVVZUFNYVOMJ-YBEGLDIGSA-N	-1	0	285.303	3.117	40	30		CGEBRM
COc1ccc(OC)c(/C=N/c2ccc(C(=O)[O-])cc2)c1	ZINC000004340101	368542830	/nfs/dbraw/zinc/54/28/30/368542830.db2.gz	CIPNGNZCCDKOOL-LICLKQGHSA-N	-1	0	285.299	3.153	40	30		CGEBRM
CC(=N\c1ccccc1)/C(=N\[O-])C(=O)Nc1ccccc1	ZINC000045920352	369287326	/nfs/dbraw/zinc/28/73/26/369287326.db2.gz	PLVAFEXVGMQYCO-XILPRMTJSA-N	-1	0	281.315	3.248	40	30		CGEBRM
O=C([O-])c1ccc(/N=C\c2cccc([N+](=O)[O-])c2)cc1	ZINC000017025255	304232652	/nfs/dbraw/zinc/23/26/52/304232652.db2.gz	YMWVVSQLJBOUKA-DHDCSXOGSA-N	-1	0	270.244	3.044	40	30		CGEBRM
Cc1cccc(/C=N/c2cc([N+](=O)[O-])ccc2[O-])c1	ZINC000059518937	392119865	/nfs/dbraw/zinc/11/98/65/392119865.db2.gz	IHCRSSVODNBZFD-OQLLNIDSSA-N	-1	0	256.261	3.359	40	30		CGEBRM
N#CC(=C([O-])C(=O)Nc1ccc(Cl)cc1)c1ccccc1	ZINC000006575689	170214903	/nfs/dbraw/zinc/21/49/03/170214903.db2.gz	FYHOXDPIXUCNSV-AWEZNQCLSA-N	-1	0	298.729	3.155	40	30		CGEBRM
COc1ccc(C(=O)/C=C/c2ccccc2C(=O)[O-])cc1	ZINC000008473852	170337125	/nfs/dbraw/zinc/33/71/25/170337125.db2.gz	FNSZTVOLAYXZRC-DHZHZOJOSA-N	-1	0	282.295	3.290	40	30		CGEBRM
CC(=N\c1ccc(F)cc1)/C(=N\[O-])C(=O)Nc1ccccc1	ZINC000045920356	277928801	/nfs/dbraw/zinc/92/88/01/277928801.db2.gz	PXNHOWDGTZKIHJ-VPMBNJIQSA-N	-1	0	299.305	3.387	40	30		CGEBRM
N#Cc1c(-c2ccccc2)cc(-c2ccc(N)cc2)[n-]c1=O	ZINC000008653400	283072505	/nfs/dbraw/zinc/07/25/05/283072505.db2.gz	NRBGWKCGLDSKDE-UHFFFAOYSA-N	-1	0	287.322	3.163	40	30		CGEBRM
CC(=O)Nc1ccc(C(=O)/C=C/c2ccccc2F)c([O-])c1	ZINC000032502222	368932785	/nfs/dbraw/zinc/93/27/85/368932785.db2.gz	CLTUZNQOBABSLN-RMKNXTFCSA-N	-1	0	299.301	3.386	40	30		CGEBRM
COc1ccc(/N=C/c2ccc(OC)c(C(=O)[O-])c2)cc1	ZINC000100349762	370277166	/nfs/dbraw/zinc/27/71/66/370277166.db2.gz	GVFGGLVLUIGTQV-LICLKQGHSA-N	-1	0	285.299	3.153	40	30		CGEBRM
O=C1c2ccccc2C/C1=C\c1cc([N+](=O)[O-])ccc1[O-]	ZINC000409367465	380029636	/nfs/dbraw/zinc/02/96/36/380029636.db2.gz	AMJKBJJAURECAF-XYOKQWHBSA-N	-1	0	281.267	3.123	40	30		CGEBRM
CC1=C[C@H]2CC[C@@H]1C1=C2C(=O)c2ccccc2/C1=N/[O-]	ZINC000102318730	392271885	/nfs/dbraw/zinc/27/18/85/392271885.db2.gz	PAVYJGXZDGULHD-JSWFKIJVSA-N	-1	0	265.312	3.344	40	30		CGEBRM
C/C(=N\c1ccccc1)c1c([O-])c2ccccc2n(C)c1=O	ZINC000100362651	277732171	/nfs/dbraw/zinc/73/21/71/277732171.db2.gz	BZQZMPIQNBAWET-XDHOZWIPSA-N	-1	0	292.338	3.385	40	30		CGEBRM
CCCCCC/C(=N\O)c1ccc(OCC(=O)[O-])cc1O	ZINC000005417918	519944554	/nfs/dbraw/zinc/94/45/54/519944554.db2.gz	VTBCPEHTHYWOFM-DTQAZKPQSA-N	-1	0	295.335	3.004	40	30		CGEBRM
O=C([O-])c1ccccc1NC=CC(=O)c1ccc(F)cc1	ZINC000034847960	344941274	/nfs/dbraw/zinc/94/12/74/344941274.db2.gz	KSASBVKITYESNN-MDZDMXLPSA-N	-1	0	285.274	3.332	40	30		CGEBRM
Cc1ccc(F)c(N=Cc2c([O-])c3ccccc3oc2=O)c1	ZINC000101502341	370289087	/nfs/dbraw/zinc/28/90/87/370289087.db2.gz	FAMAQJQDPJEREO-FMIVXFBMSA-N	-1	0	297.285	3.232	40	30		CGEBRM
O=C([O-])C=CC(=NNc1ccccc1)c1ccccc1	ZINC000004742992	304023453	/nfs/dbraw/zinc/02/34/53/304023453.db2.gz	NOPCMQGSHNOCKQ-YIKZKUGMSA-N	-1	0	266.300	3.144	40	30		CGEBRM
Oc1ccc(C=Nn2c(=S)[n-]nc2-c2ccccc2)cc1	ZINC000019850054	368774169	/nfs/dbraw/zinc/77/41/69/368774169.db2.gz	CWMYVVQXCGHEAH-YBEGLDIGSA-N	-1	0	296.355	3.195	40	30		CGEBRM
Cc1cc2[nH]c3c(C#N)c([O-])c(C(C)C)c(=O)n3c2cc1C	ZINC000104267924	370341674	/nfs/dbraw/zinc/34/16/74/370341674.db2.gz	WASUMBORYUZLSR-UHFFFAOYSA-N	-1	0	295.342	3.098	40	30		CGEBRM
Cc1cc(C=NO)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1	ZINC000408944420	380024927	/nfs/dbraw/zinc/02/49/27/380024927.db2.gz	MKEDTUGENCAJJI-UHFFFAOYSA-N	-1	0	292.722	3.254	40	30		CGEBRM
C[C@@H](Oc1ccc(/C=N/c2ccccc2)cc1)C(=O)[O-]	ZINC000059303212	256796127	/nfs/dbraw/zinc/79/61/27/256796127.db2.gz	UCEYHQBZDJGTNC-PBSOMRJOSA-N	-1	0	269.300	3.289	40	30		CGEBRM
O=C(/C=C/c1cccnc1)c1cc(Cl)ccc1[O-]	ZINC000004707906	170003056	/nfs/dbraw/zinc/00/30/56/170003056.db2.gz	VVJDTKALEFMOSX-HWKANZROSA-N	-1	0	259.692	3.337	40	30		CGEBRM
O=C(/C(=N/[O-])c1ccc(Cl)cc1)c1ccccc1	ZINC000104138471	185907737	/nfs/dbraw/zinc/90/77/37/185907737.db2.gz	FHODHVXMGYXGGR-DTQAZKPQSA-N	-1	0	259.692	3.401	40	30		CGEBRM
Cc1ccc(/N=C/c2cc(C)cc([N+](=O)[O-])c2[O-])c(O)c1	ZINC000003153318	368493946	/nfs/dbraw/zinc/49/39/46/368493946.db2.gz	MQWCQCXPNAJWQN-LZYBPNLTSA-N	-1	0	286.287	3.373	40	30		CGEBRM
C=CCc1c(C)nc2c(-c3cccs3)c(C)[n-]n2c1=O	ZINC000010338950	368579421	/nfs/dbraw/zinc/57/94/21/368579421.db2.gz	POKPVCKHDDFSGS-UHFFFAOYSA-N	-1	0	285.372	3.096	40	30		CGEBRM
C=CCCCC(C)(C)OC(=O)N[C@H](C(=O)[O-])C(C)(C)C	ZINC000098177453	370267785	/nfs/dbraw/zinc/26/77/85/370267785.db2.gz	MSPCNVVEYFELRP-LLVKDONJSA-N	-1	0	285.384	3.347	40	30		CGEBRM
C=CCOc1c(OCC)cc(Cl)cc1C(=O)[O-]	ZINC000225281452	376299743	/nfs/dbraw/zinc/29/97/43/376299743.db2.gz	BIULDOFVHOVWNC-UHFFFAOYSA-N	-1	0	256.685	3.002	40	30		CGEBRM
O=C([O-])c1ccccc1NC=CC(=O)c1ccccc1	ZINC000409174318	380028707	/nfs/dbraw/zinc/02/87/07/380028707.db2.gz	RVRHBBJVMMCACS-ZHACJKMWSA-N	-1	0	267.284	3.193	40	30		CGEBRM
O=C([O-])CC1=C(c2ccc3ccccc3c2)CCC1=O	ZINC000001703953	169745867	/nfs/dbraw/zinc/74/58/67/169745867.db2.gz	CVVMCFIDHNSYLW-UHFFFAOYSA-N	-1	0	266.296	3.431	40	30		CGEBRM
CCc1n[n-]c(=S)n1N=Cc1ccc(Cl)cc1	ZINC000005410280	170095363	/nfs/dbraw/zinc/09/53/63/170095363.db2.gz	JEMGJXSEDFMZFE-NTUHNPAUSA-N	-1	0	266.757	3.039	40	30		CGEBRM
O=C([O-])C1=C(C2CCCCC2)C(=O)c2ccccc21	ZINC000001709584	304035420	/nfs/dbraw/zinc/03/54/20/304035420.db2.gz	BMPHWRLVBNBQME-UHFFFAOYSA-N	-1	0	256.301	3.301	40	30		CGEBRM
CCn1c(=O)c(/C(C)=N/c2ccco2)c([O-])c2ccccc21	ZINC000101161231	370287955	/nfs/dbraw/zinc/28/79/55/370287955.db2.gz	NCRXREXMYWGIPN-WOJGMQOQSA-N	-1	0	296.326	3.461	40	30		CGEBRM
C=CCSc1sc(C(=O)OC)c([O-])c1Cl	ZINC000096510986	392257582	/nfs/dbraw/zinc/25/75/82/392257582.db2.gz	WLPHZVVGUHBBOL-UHFFFAOYSA-N	-1	0	264.755	3.172	40	30		CGEBRM
CC(=NNc1ccc(C(=O)[O-])cc1)c1ccccc1	ZINC000004792459	170017721	/nfs/dbraw/zinc/01/77/21/170017721.db2.gz	MRGAGDMCVDFJLP-WJDWOHSUSA-N	-1	0	254.289	3.221	40	30		CGEBRM