smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(C=N[O-])cc(Br)c1OC(C)C	ZINC000254296115	377705625	/nfs/dbraw/zinc/70/56/25/377705625.db2.gz	YPHOLOYWWRCCFA-UHFFFAOYSA-N	-1	3	288.141	3.053	10	30		CGEEHM
CCOc1ccc(N=Cc2ccc(O)c([O-])c2)cc1	ZINC000254738856	377713931	/nfs/dbraw/zinc/71/39/31/377713931.db2.gz	MSEALPWYWDSFQZ-UHFFFAOYSA-N	-1	3	257.289	3.247	10	30		CGEEHM
CCCOC(=O)c1ccc(N=Cc2cccc([O-])c2O)cc1	ZINC000254508095	377709677	/nfs/dbraw/zinc/70/96/77/377709677.db2.gz	BLUHPTWPQPDHHB-UHFFFAOYSA-N	-1	3	299.326	3.415	10	30		CGEEHM
N#CCc1cc([O-])cc(C(F)F)c1Br	ZINC000575687728	377963132	/nfs/dbraw/zinc/96/31/32/377963132.db2.gz	VTNMHFBIAPMGOM-UHFFFAOYSA-N	-1	3	262.053	3.158	10	30		CGEEHM
Cc1ccc(NC(=O)C(=O)C=C([O-])c2ccccc2)cc1	ZINC000005322775	170085574	/nfs/dbraw/zinc/08/55/74/170085574.db2.gz	SUBYONHYQFEZQK-LFIBNONCSA-N	-1	3	281.311	3.258	10	30		CGEEHM
COc1ccc(/C=N/[O-])cc1OCc1ccccc1C	ZINC000103844751	230393368	/nfs/dbraw/zinc/39/33/68/230393368.db2.gz	LNGVAHHPPQTPJB-LICLKQGHSA-N	-1	3	271.316	3.391	10	30		CGEEHM
N#Cc1ccc2[nH]c(=O)c(-c3ccccc3)c([O-])c2c1	ZINC000036185228	369014657	/nfs/dbraw/zinc/01/46/57/369014657.db2.gz	VVJMONZJRBLNMY-UHFFFAOYSA-N	-1	3	262.268	3.185	10	30		CGEEHM
N=C([S-])NN=Cc1c(Cl)ccc(Cl)c1Cl	ZINC000006132394	170178859	/nfs/dbraw/zinc/17/88/59/170178859.db2.gz	IIQPMLIHMSCSMA-QLKAYGNNSA-N	-1	3	282.583	3.225	10	30		CGEEHM
C/C(=N\[O-])c1cccc(NC(=O)CCc2ccccc2)c1	ZINC000019425942	170794994	/nfs/dbraw/zinc/79/49/94/170794994.db2.gz	QASINSVLORJXTL-CPNJWEJPSA-N	-1	3	282.343	3.456	10	30		CGEEHM
C=CC(C)(C)CCN[C@H](C)c1ncc(C(=O)[O-])s1	ZINC000701908927	977052550	/nfs/dbraw/zinc/05/25/50/977052550.db2.gz	SIKODNMZORCPLR-SECBINFHSA-N	-1	3	268.382	3.094	10	30		CGEEHM
COc1ccc(/C=N/[O-])cc1OCc1ccc(F)cc1	ZINC000103847039	230393317	/nfs/dbraw/zinc/39/33/17/230393317.db2.gz	VXNIMIMACUDAPW-RQZCQDPDSA-N	-1	3	275.279	3.221	10	30		CGEEHM
CCc1ccc(/C(=N/[O-])c2ccc(F)cc2)c(O)c1	ZINC000028759849	344914406	/nfs/dbraw/zinc/91/44/06/344914406.db2.gz	RNAPCXODYKNWKT-BMRADRMJSA-N	-1	3	259.280	3.320	10	30		CGEEHM
N#CCc1c([O-])cc(C(F)F)cc1Br	ZINC000575686995	377961891	/nfs/dbraw/zinc/96/18/91/377961891.db2.gz	SQYDLBWPFPACNO-UHFFFAOYSA-N	-1	3	262.053	3.158	10	30		CGEEHM
N#CCc1c(Br)c([O-])ccc1OC(F)(F)F	ZINC000575692640	377968396	/nfs/dbraw/zinc/96/83/96/377968396.db2.gz	YURBXIFJNGZKOW-UHFFFAOYSA-N	-1	3	296.042	3.119	10	30		CGEEHM
CCCC#C[C@@]([O-])(c1cc(Cl)ccc1N)C(F)(F)F	ZINC000504301485	276222930	/nfs/dbraw/zinc/22/29/30/276222930.db2.gz	OJMQFWMVICHYJA-GFCCVEGCSA-N	-1	3	291.700	3.476	10	30		CGEEHM
N#CC=C([O-])c1cccc(Br)c1Cl	ZINC000160400066	346170864	/nfs/dbraw/zinc/17/08/64/346170864.db2.gz	CYBJDGIHURXYPY-UHFFFAOYSA-N	-1	3	258.502	3.199	10	30		CGEEHM
N#Cc1cc(Cl)cc(Oc2c(=O)[n-]cnc2C2CC2)c1	ZINC000584646378	346703934	/nfs/dbraw/zinc/70/39/34/346703934.db2.gz	PMKDSYFNYQHTPK-UHFFFAOYSA-N	-1	3	287.706	3.377	10	30		CGEEHM
N#CCc1cc(Br)c(C(F)(F)F)cc1[O-]	ZINC000575689831	377965125	/nfs/dbraw/zinc/96/51/25/377965125.db2.gz	HQIXJZWBYDHIBT-UHFFFAOYSA-N	-1	3	280.043	3.240	10	30		CGEEHM
[O-]c1cc(OC(F)(F)F)c(C(F)(F)F)cc1F	ZINC000575704545	377976786	/nfs/dbraw/zinc/97/67/86/377976786.db2.gz	XQSVGUKCWVEIGW-UHFFFAOYSA-N	-1	3	264.096	3.449	10	30		CGEEHM
C=CCSc1nc2c(cnn2-c2cccc(C)c2)c(=O)[n-]1	ZINC000009522365	170380486	/nfs/dbraw/zinc/38/04/86/170380486.db2.gz	DXZUYTIEPFNBFR-UHFFFAOYSA-N	-1	3	298.371	3.108	10	30		CGEEHM
CCCCOCCOc1cccc2c1CC/C2=N\[O-]	ZINC000062800396	520794219	/nfs/dbraw/zinc/79/42/19/520794219.db2.gz	LQHSZMVGGXULCD-JQIJEIRASA-N	-1	3	263.337	3.007	10	30		CGEEHM
Cc1csc(Sc2cc(Cl)ccc2/C(N)=N/[O-])n1	ZINC000062789737	526399564	/nfs/dbraw/zinc/39/95/64/526399564.db2.gz	WKUOFMVVSLTZAD-UHFFFAOYSA-N	-1	3	299.808	3.351	10	30		CGEEHM
C[C@@H](NCc1csc(C(=O)[O-])c1)c1ccc(C#N)cc1	ZINC000689089504	976216285	/nfs/dbraw/zinc/21/62/85/976216285.db2.gz	RJUQYLWMUKFVPF-SNVBAGLBSA-N	-1	3	286.356	3.169	10	30		CGEEHM
O=C(CCc1ccccc1)N([O-])CCCc1ccccc1	ZINC000029484716	344917670	/nfs/dbraw/zinc/91/76/70/344917670.db2.gz	ZTZZZGWUAYORTE-UHFFFAOYSA-N	-1	3	283.371	3.470	10	30		CGEEHM
C[C@]12CC[C@@H]3c4cc(C#N)c([O-])cc4CC[C@H]3[C@@H]1CC[C@@H]2O	ZINC000013491711	368654869	/nfs/dbraw/zinc/65/48/69/368654869.db2.gz	KHZPKJCZGIYHFO-NNYOOSKESA-N	-1	3	297.398	3.481	10	30		CGEEHM
N[C@H](/C=N/[O-])c1cc(C(F)(F)F)cc(C(F)(F)F)c1	ZINC000044830782	295326804	/nfs/dbraw/zinc/32/68/04/295326804.db2.gz	DIQCUSJNWHOORW-AVNKHNIGSA-N	-1	3	286.175	3.184	10	30		CGEEHM
COc1ccc2c(c1)/C(=C\c1ccc([O-])cc1)C(=O)CC2	ZINC000095574804	185011594	/nfs/dbraw/zinc/01/15/94/185011594.db2.gz	FARRSICDZZUUSZ-LICLKQGHSA-N	-1	3	280.323	3.457	10	30		CGEEHM
CC(C#N)=C([O-])c1cccc(Br)c1Cl	ZINC000160400335	346170702	/nfs/dbraw/zinc/17/07/02/346170702.db2.gz	TZHCWPJHSCLTHP-ZCFIWIBFSA-N	-1	3	272.529	3.445	10	30		CGEEHM
CC(C#N)=C([O-])c1cccc(Br)c1Cl	ZINC000160400197	346170841	/nfs/dbraw/zinc/17/08/41/346170841.db2.gz	TZHCWPJHSCLTHP-LURJTMIESA-N	-1	3	272.529	3.445	10	30		CGEEHM
N#CCc1cc(C(F)(F)F)c([O-])cc1OC(F)F	ZINC000575661795	377938311	/nfs/dbraw/zinc/93/83/11/377938311.db2.gz	MCOVHKFXCVGURG-UHFFFAOYSA-N	-1	3	267.153	3.078	10	30		CGEEHM
O=C1C=C(Cl)C(=Nc2ccc([O-])cc2)C(Cl)=C1	ZINC000005769705	170138747	/nfs/dbraw/zinc/13/87/47/170138747.db2.gz	JSPYBAXQKZYERT-UHFFFAOYSA-N	-1	3	268.099	3.293	10	30		CGEEHM
S=c1[n-]c(NN=Cc2ccc(Cl)cc2Cl)n[nH]1	ZINC000006329490	170191824	/nfs/dbraw/zinc/19/18/24/170191824.db2.gz	YBJKNOKUSDAVJZ-UUILKARUSA-N	-1	3	288.163	3.220	10	30		CGEEHM
CC(C#N)=C([O-])c1cc(Br)ccc1Cl	ZINC000037288051	344948972	/nfs/dbraw/zinc/94/89/72/344948972.db2.gz	NTSYPXVBMDKHCH-ZCFIWIBFSA-N	-1	3	272.529	3.445	10	30		CGEEHM
O=C(CCCCCc1ccc2ccccc2c1)C(=O)N[O-]	ZINC000230850443	346322146	/nfs/dbraw/zinc/32/21/46/346322146.db2.gz	DHMHAGRFQYKFNG-UHFFFAOYSA-N	-1	3	285.343	3.017	10	30		CGEEHM
CC(C)CCCC1=CC(=O)c2c(O)ccc([O-])c2C1=O	ZINC000013335177	368651872	/nfs/dbraw/zinc/65/18/72/368651872.db2.gz	CZCUIGLMMGPMLC-UHFFFAOYSA-N	-1	3	274.316	3.230	10	30	biogenic,in-vitro	CGEEHM
CC(C)CCCC1=CC(=O)c2c([O-])ccc(O)c2C1=O	ZINC000013335177	368651877	/nfs/dbraw/zinc/65/18/77/368651877.db2.gz	CZCUIGLMMGPMLC-UHFFFAOYSA-N	-1	3	274.316	3.230	10	30	biogenic,in-vitro	CGEEHM
CCCCOc1ccc(CC[C@@H](C)N([O-])C(C)=O)cc1	ZINC000026149258	368856254	/nfs/dbraw/zinc/85/62/54/368856254.db2.gz	HVBZUKBIXCRUAU-CYBMUJFWSA-N	-1	3	279.380	3.424	10	30		CGEEHM
CCCCOc1ccc([C@H](C)N([O-])C(C)=O)cc1	ZINC000029570028	368896599	/nfs/dbraw/zinc/89/65/99/368896599.db2.gz	BQOAJAIUXPRROV-NSHDSACASA-N	-1	3	251.326	3.164	10	30		CGEEHM
[O-]/N=C(\c1ccccc1)c1ccccc1-c1ncc[nH]1	ZINC000089202482	370039054	/nfs/dbraw/zinc/03/90/54/370039054.db2.gz	WGKIWFCGZYPLQF-XDJHFCHBSA-N	-1	3	263.300	3.303	10	30		CGEEHM
[O-]N=C(c1ccccc1)c1ccccc1-c1ncc[nH]1	ZINC000089202482	370039058	/nfs/dbraw/zinc/03/90/58/370039058.db2.gz	WGKIWFCGZYPLQF-XDJHFCHBSA-N	-1	3	263.300	3.303	10	30		CGEEHM
COc1ccc(/C=N/c2ccc(NC(C)=O)cc2)cc1[O-]	ZINC000100033342	370270550	/nfs/dbraw/zinc/27/05/50/370270550.db2.gz	MJHLRWJVQVKZMG-LICLKQGHSA-N	-1	3	284.315	3.110	10	30		CGEEHM
O=[N+]([O-])c1ccc(F)c(/N=C\c2ccccc2[O-])c1	ZINC000100485126	370279630	/nfs/dbraw/zinc/27/96/30/370279630.db2.gz	ZDJDFGXUXIRJPJ-NVNXTCNLSA-N	-1	3	260.224	3.190	10	30		CGEEHM
N#CCc1cc([O-])cc(Br)c1C(F)(F)F	ZINC000575691892	377967017	/nfs/dbraw/zinc/96/70/17/377967017.db2.gz	RTLWVHVOSOYVAJ-UHFFFAOYSA-N	-1	3	280.043	3.240	10	30		CGEEHM
CCCCCCCCCCCCNc1cc(=O)[n-]c(=O)[nH]1	ZINC000043938713	345005335	/nfs/dbraw/zinc/00/53/35/345005335.db2.gz	MCWKRGUQAARPCJ-UHFFFAOYSA-N	-1	3	295.427	3.396	10	30		CGEEHM
N#CCc1cc(OC(F)F)cc([O-])c1C(F)(F)F	ZINC000575662403	377938497	/nfs/dbraw/zinc/93/84/97/377938497.db2.gz	ZFQLAWXODXZVIQ-UHFFFAOYSA-N	-1	3	267.153	3.078	10	30		CGEEHM
[O-]c1ccc(C(F)(F)F)c(OC(F)(F)F)c1F	ZINC000575705233	377978153	/nfs/dbraw/zinc/97/81/53/377978153.db2.gz	VAFCILFYWFVNKA-UHFFFAOYSA-N	-1	3	264.096	3.449	10	30		CGEEHM
[O-]/N=C\[C@@]1(c2nccc3ccccc32)C=CC=CC1	ZINC000090741623	295390787	/nfs/dbraw/zinc/39/07/87/295390787.db2.gz	JZBXIZFZADYXNF-UWCCDQBKSA-N	-1	3	250.301	3.449	10	30		CGEEHM
CCCCCOc1cc(Cl)ccc1/C(N)=N/[O-]	ZINC000062789682	520247516	/nfs/dbraw/zinc/24/75/16/520247516.db2.gz	YZTOWLRJLYHEJZ-UHFFFAOYSA-N	-1	3	256.733	3.004	10	30		CGEEHM
C[C@H]1CCCC[C@@H]1Oc1cc(Cl)ccc1/C(N)=N/[O-]	ZINC000062789621	526259396	/nfs/dbraw/zinc/25/93/96/526259396.db2.gz	LZZBTIJYKBVUOY-CABZTGNLSA-N	-1	3	282.771	3.392	10	30		CGEEHM
N/C(=N/[O-])c1cc(Cl)ccc1Oc1ccccc1F	ZINC000052860757	526802430	/nfs/dbraw/zinc/80/24/30/526802430.db2.gz	ZUVNFHPGXDMUNG-UHFFFAOYSA-N	-1	3	280.686	3.366	10	30		CGEEHM
CCc1cc(N=Cc2ccc(O)c([O-])c2O)ccc1C	ZINC000588393562	799685729	/nfs/dbraw/zinc/68/57/29/799685729.db2.gz	CDSXCWPEURRNEA-UHFFFAOYSA-N	-1	3	271.316	3.425	10	30		CGEEHM
C=CCc1c([O-])cccc1C(=O)c1ccccc1C(=O)OC	ZINC000079368018	345638259	/nfs/dbraw/zinc/63/82/59/345638259.db2.gz	QOZPORDWSSCHLZ-UHFFFAOYSA-N	-1	3	296.322	3.138	10	30		CGEEHM
COc1ccc(/C(=N/[O-])c2ccccc2F)c(O)c1C	ZINC000146942201	346125077	/nfs/dbraw/zinc/12/50/77/346125077.db2.gz	LKWQLQOHVRAYBD-SAPNQHFASA-N	-1	3	275.279	3.075	10	30		CGEEHM
N#CC(=C([O-])c1ccc(F)cc1Cl)c1ccccn1	ZINC000046440028	369294225	/nfs/dbraw/zinc/29/42/25/369294225.db2.gz	LOKOXLBIJMFXJQ-LLVKDONJSA-N	-1	3	274.682	3.364	10	30		CGEEHM
Cn1c2ccccc2nc1N=Cc1ccccc1[O-]	ZINC000254839872	377715244	/nfs/dbraw/zinc/71/52/44/377715244.db2.gz	NFCJEGPENDRYJY-UHFFFAOYSA-N	-1	3	251.289	3.030	10	30		CGEEHM
N#CCc1c([O-])cc(Br)cc1C(F)(F)F	ZINC000575689938	377965296	/nfs/dbraw/zinc/96/52/96/377965296.db2.gz	NKKKAVOCNQXJBL-UHFFFAOYSA-N	-1	3	280.043	3.240	10	30		CGEEHM
CCC1CCC(NC(=O)c2csc(=O)[n-]2)CC1	ZINC000329916169	542449485	/nfs/dbraw/zinc/44/94/85/542449485.db2.gz	QDQHIASNKSNEHO-UHFFFAOYSA-N	-1	3	254.355	3.122	10	30		CGEEHM
[O-]c1cc(O)ccc1C=NNc1cccc(Cl)c1	ZINC000005699428	170130582	/nfs/dbraw/zinc/13/05/82/170130582.db2.gz	NHBZWVPRLMYCJX-OVCLIPMQSA-N	-1	3	262.696	3.197	10	30		CGEEHM
C=CC[C@H](NCc1ccccc1)c1ccc(C(=O)[O-])o1	ZINC000000163930	277888847	/nfs/dbraw/zinc/88/88/47/277888847.db2.gz	QPWMBWJEOCQEGJ-ZDUSSCGKSA-N	-1	3	271.316	3.385	10	30		CGEEHM
O=C1[N-]/C(=N/Cc2ccccc2)S[C@@H]1c1ccccc1	ZINC000044175695	345006784	/nfs/dbraw/zinc/00/67/84/345006784.db2.gz	IKYDGCVFMGKCMM-CQSZACIVSA-N	-1	3	282.368	3.147	10	30		CGEEHM
N#CCc1c([O-])cc(C(F)(F)F)cc1Br	ZINC000218793292	376189329	/nfs/dbraw/zinc/18/93/29/376189329.db2.gz	FSQROCWNVBJMPS-UHFFFAOYSA-N	-1	3	280.043	3.240	10	30		CGEEHM
[O-]N=C1CCCc2sc(-c3ccc(F)cc3)nc21	ZINC000242592437	376782953	/nfs/dbraw/zinc/78/29/53/376782953.db2.gz	OUPRRQJFXORULA-UHFFFAOYSA-N	-1	3	262.309	3.464	10	30		CGEEHM
N#CCc1cc(C(F)F)c(Br)cc1[O-]	ZINC000575685423	377960432	/nfs/dbraw/zinc/96/04/32/377960432.db2.gz	KVGVNKNKHRHUPG-UHFFFAOYSA-N	-1	3	262.053	3.158	10	30		CGEEHM
C/C(=N\[O-])c1ccc(NC(=O)c2ccc(C)o2)cc1	ZINC000020252644	171105214	/nfs/dbraw/zinc/10/52/14/171105214.db2.gz	LEOLUSVJESPLAO-MHWRWJLKSA-N	-1	3	258.277	3.039	10	30		CGEEHM
[O-]/N=C\[C@]1(c2nccc3ccccc32)C=CC=CC1	ZINC000090741622	279717694	/nfs/dbraw/zinc/71/76/94/279717694.db2.gz	JZBXIZFZADYXNF-JIHKLPAASA-N	-1	3	250.301	3.449	10	30		CGEEHM
N#Cc1cc(Sc2ccc([O-])cc2)ccc1[N+](=O)[O-]	ZINC000131814089	346068172	/nfs/dbraw/zinc/06/81/72/346068172.db2.gz	OYTUOFADCJPMGM-UHFFFAOYSA-N	-1	3	272.285	3.323	10	30		CGEEHM
O=C(N[O-])[C@H](Oc1ccc2c(c1)CCCC2)c1ccccc1	ZINC000166749181	346187565	/nfs/dbraw/zinc/18/75/65/346187565.db2.gz	IYMAPCVKGOELBD-QGZVFWFLSA-N	-1	3	297.354	3.191	10	30		CGEEHM
COc1ccc2oc(C)c([C@@H](C)N([O-])C(C)=O)c2c1	ZINC000039133538	369149460	/nfs/dbraw/zinc/14/94/60/369149460.db2.gz	GOCCIECGJNXUOR-MRVPVSSYSA-N	-1	3	263.293	3.049	10	30		CGEEHM
[O-]c1ccc(Br)cc1/C=N\c1ccccn1	ZINC000100489718	370280174	/nfs/dbraw/zinc/28/01/74/370280174.db2.gz	RXKWERDYZGNGDB-NVNXTCNLSA-N	-1	3	277.121	3.300	10	30		CGEEHM
[O-]c1ccc(Br)cc1C=Nc1cccnc1	ZINC000263631330	393153894	/nfs/dbraw/zinc/15/38/94/393153894.db2.gz	ATSIGWCQWOFHLX-UHFFFAOYSA-N	-1	3	277.121	3.300	10	30		CGEEHM
CC(=NNc1n[nH]c(=S)[n-]1)c1ccc2ccccc2c1	ZINC000005889344	170150814	/nfs/dbraw/zinc/15/08/14/170150814.db2.gz	MEVSPRRDHMILMU-SXGWCWSVSA-N	-1	3	283.360	3.457	10	30		CGEEHM
C/C(=N\[O-])c1ccc(NC(=O)C2CCCCC2)cc1	ZINC000019481393	170809962	/nfs/dbraw/zinc/80/99/62/170809962.db2.gz	MKERQBLBNAVJDJ-GZTJUZNOSA-N	-1	3	260.337	3.404	10	30		CGEEHM
COC(=O)c1sc(SC)c2c1CC(C)(C)CC2=N[O-]	ZINC000254304099	277174735	/nfs/dbraw/zinc/17/47/35/277174735.db2.gz	SJOCPYUKFOTDAN-UHFFFAOYSA-N	-1	3	299.417	3.407	10	30		CGEEHM
C=CC(C)(C)CCN[C@@H](C)c1ncc(C(=O)[O-])s1	ZINC000701908931	977052490	/nfs/dbraw/zinc/05/24/90/977052490.db2.gz	SIKODNMZORCPLR-VIFPVBQESA-N	-1	3	268.382	3.094	10	30		CGEEHM
C=C(OC)C(C(C)=O)=C([O-])c1ccc(Cl)cc1	ZINC000072416121	369818142	/nfs/dbraw/zinc/81/81/42/369818142.db2.gz	MTGQSRWLDLIEHZ-FMIVXFBMSA-N	-1	3	252.697	3.032	10	30		CGEEHM
C/C=C\C[C@H](COCc1ccccc1)OC/C=N/[O-]	ZINC000216144389	376158555	/nfs/dbraw/zinc/15/85/55/376158555.db2.gz	SDFIKCQYVPRDBJ-XVEFAYGVSA-N	-1	3	263.337	3.015	10	30		CGEEHM
N#CCc1cc(C(F)(F)F)c(Br)cc1[O-]	ZINC000575689731	377965006	/nfs/dbraw/zinc/96/50/06/377965006.db2.gz	CAWZRMDXBIJPMU-UHFFFAOYSA-N	-1	3	280.043	3.240	10	30		CGEEHM
N#CCc1c([O-])ccc(Br)c1C(F)(F)F	ZINC000575692541	377968711	/nfs/dbraw/zinc/96/87/11/377968711.db2.gz	XUQFSUUKLVUPSX-UHFFFAOYSA-N	-1	3	280.043	3.240	10	30		CGEEHM
COc1ccc2oc(C)c([C@H](C)N([O-])C(C)=O)c2c1	ZINC000039133539	174164601	/nfs/dbraw/zinc/16/46/01/174164601.db2.gz	GOCCIECGJNXUOR-QMMMGPOBSA-N	-1	3	263.293	3.049	10	30		CGEEHM
CCCCCCOc1cc(Cl)ccc1/C(N)=N/[O-]	ZINC000062789666	520102346	/nfs/dbraw/zinc/10/23/46/520102346.db2.gz	KEIRCYZXZWPFRB-UHFFFAOYSA-N	-1	3	270.760	3.394	10	30		CGEEHM
C[C@@H]1CCCC[C@@H]1Oc1cc(Cl)ccc1/C(N)=N/[O-]	ZINC000062789620	524151360	/nfs/dbraw/zinc/15/13/60/524151360.db2.gz	LZZBTIJYKBVUOY-SKDRFNHKSA-N	-1	3	282.771	3.392	10	30		CGEEHM
N/C(=N/[O-])c1ccc(Cl)cc1OCc1ccccc1	ZINC000062789613	526802823	/nfs/dbraw/zinc/80/28/23/526802823.db2.gz	HZDUQTZTEUDQDK-UHFFFAOYSA-N	-1	3	276.723	3.014	10	30		CGEEHM
CC(C)C(C#N)=C([O-])c1ccc(Br)o1	ZINC000041045650	344966847	/nfs/dbraw/zinc/96/68/47/344966847.db2.gz	ZLBWHDJNRFYAPF-ZETCQYMHSA-N	-1	3	256.099	3.021	10	30		CGEEHM
O=C1C[C@H](/C(=N\[O-])c2ccccc2)CN1C1CCCCC1	ZINC000048524374	345067407	/nfs/dbraw/zinc/06/74/07/345067407.db2.gz	TUTQFYMRHJCRQH-DNZUHHBVSA-N	-1	3	286.375	3.046	10	30		CGEEHM
C[C@@H](C(=O)N(C)[O-])c1ccc(OCc2ccccc2)cc1	ZINC000026264929	368856719	/nfs/dbraw/zinc/85/67/19/368856719.db2.gz	VFSCYWVNAXCZLJ-CYBMUJFWSA-N	-1	3	285.343	3.217	10	30		CGEEHM
CC(C)Cc1ccc([C@H](C(=O)N(C)[O-])C(C)C)cc1	ZINC000026264679	368856779	/nfs/dbraw/zinc/85/67/79/368856779.db2.gz	IKCDYKLPBFXVDU-OAHLLOKOSA-N	-1	3	263.381	3.472	10	30		CGEEHM
COc1cc(C=Nc2ccc(C)cc2[O-])ccc1O	ZINC000254625172	377711459	/nfs/dbraw/zinc/71/14/59/377711459.db2.gz	VGBMZWFTOJHUAH-UHFFFAOYSA-N	-1	3	257.289	3.165	10	30		CGEEHM
[O-]c1ccc(OC(F)(F)F)c(C(F)(F)F)c1F	ZINC000575705235	377977885	/nfs/dbraw/zinc/97/78/85/377977885.db2.gz	VBBCBPXQTZCZFU-UHFFFAOYSA-N	-1	3	264.096	3.449	10	30		CGEEHM
N#Cc1ccc([N-]c2nc(Cl)ccc2[N+](=O)[O-])cc1	ZINC000037331703	173132592	/nfs/dbraw/zinc/13/25/92/173132592.db2.gz	STSPUTIAZZBOSW-UHFFFAOYSA-N	-1	3	274.667	3.258	10	30		CGEEHM
O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1csc(=O)[n-]1	ZINC000329909793	534760357	/nfs/dbraw/zinc/76/03/57/534760357.db2.gz	MTZSXCZOLLGCRT-RNFRBKRXSA-N	-1	3	294.298	3.274	10	30		CGEEHM
CC(=O)Nc1ccc([O-])c(C(=O)N2CC[C@@H]3CCC[C@H]32)c1	ZINC000330299949	528747505	/nfs/dbraw/zinc/74/75/05/528747505.db2.gz	IGGXNIVINLOMPN-SMDDNHRTSA-N	-1	3	288.347	3.015	10	30		CGEEHM
C=C(F)C1(CC(=O)[O-])CCN(Cc2ccccc2)CC1	ZINC000725259553	568587550	/nfs/dbraw/zinc/58/75/50/568587550.db2.gz	DWVMUXNZCONXLF-UHFFFAOYSA-N	-1	3	277.339	3.227	10	30		CGEEHM
CCCCOc1ccc([C@@H](CCC)C(=O)N[O-])cc1	ZINC000138553282	346097046	/nfs/dbraw/zinc/09/70/46/346097046.db2.gz	XQTREDVXSGVXPT-CQSZACIVSA-N	-1	3	265.353	3.255	10	30		CGEEHM
CCOC(=O)c1c(C#N)ccc(SC(F)(F)F)c1[O-]	ZINC000575391971	377900102	/nfs/dbraw/zinc/90/01/02/377900102.db2.gz	IVRLSUNNYPUHPF-UHFFFAOYSA-N	-1	3	291.250	3.052	10	30		CGEEHM
CCOc1ccc2c(c1)Cc1cc(N([O-])C(C)=O)ccc1-2	ZINC000013514934	368655689	/nfs/dbraw/zinc/65/56/89/368655689.db2.gz	UWIQXPRZANTSBF-UHFFFAOYSA-N	-1	3	283.327	3.399	10	30		CGEEHM
C/C=C\C[C@H](COCc1ccccc1)OC/C=N\[O-]	ZINC000216144305	376158284	/nfs/dbraw/zinc/15/82/84/376158284.db2.gz	SDFIKCQYVPRDBJ-AMOARUFNSA-N	-1	3	263.337	3.015	10	30		CGEEHM
N#CCc1c([O-])cc(Br)cc1OC(F)(F)F	ZINC000575690162	377965428	/nfs/dbraw/zinc/96/54/28/377965428.db2.gz	ZTQVQGMVPZKOHX-UHFFFAOYSA-N	-1	3	296.042	3.119	10	30		CGEEHM
N#CCc1c([O-])ccc(C(F)(F)F)c1Br	ZINC000575690936	377967304	/nfs/dbraw/zinc/96/73/04/377967304.db2.gz	FXWAXGIDAOXRCN-UHFFFAOYSA-N	-1	3	280.043	3.240	10	30		CGEEHM
CCn1nc(C)c(/C=C\C(=O)c2cccc([O-])c2)c1C	ZINC000096854146	185117531	/nfs/dbraw/zinc/11/75/31/185117531.db2.gz	YUVSWLBNMXXTCW-HJWRWDBZSA-N	-1	3	270.332	3.122	10	30		CGEEHM
CCOc1cc(/C=N/c2ccccc2C#N)ccc1[O-]	ZINC000100223546	185708937	/nfs/dbraw/zinc/70/89/37/185708937.db2.gz	XMDBXAJOYDFIRC-WOJGMQOQSA-N	-1	3	266.300	3.413	10	30		CGEEHM
N#CCc1c([O-])ccc(C(F)(F)F)c1C(F)(F)F	ZINC000514261911	346636338	/nfs/dbraw/zinc/63/63/38/346636338.db2.gz	OZQXCHRCKQHVFS-UHFFFAOYSA-N	-1	3	269.144	3.496	10	30		CGEEHM
CCCCOc1ccc([C@@H](C)N([O-])C(C)=O)cc1	ZINC000029570025	368896365	/nfs/dbraw/zinc/89/63/65/368896365.db2.gz	BQOAJAIUXPRROV-LLVKDONJSA-N	-1	3	251.326	3.164	10	30		CGEEHM
N#CCc1cc(Br)c(C(F)F)cc1[O-]	ZINC000575685407	377960351	/nfs/dbraw/zinc/96/03/51/377960351.db2.gz	KJAFQYMAQHDCHR-UHFFFAOYSA-N	-1	3	262.053	3.158	10	30		CGEEHM
N#CCc1cc([O-])cc(C(F)(F)F)c1Br	ZINC000575690687	377965556	/nfs/dbraw/zinc/96/55/56/377965556.db2.gz	AJQUBQFSDSFETK-UHFFFAOYSA-N	-1	3	280.043	3.240	10	30		CGEEHM
[O-]c1cc(F)cc(C(F)(F)F)c1OC(F)(F)F	ZINC000575702451	377975772	/nfs/dbraw/zinc/97/57/72/377975772.db2.gz	FELAOECZSCHIQO-UHFFFAOYSA-N	-1	3	264.096	3.449	10	30		CGEEHM
O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)c1csc(=O)[n-]1	ZINC000329909792	295380238	/nfs/dbraw/zinc/38/02/38/295380238.db2.gz	MTZSXCZOLLGCRT-NKWVEPMBSA-N	-1	3	294.298	3.274	10	30		CGEEHM
N#Cc1ccc(NC(=O)c2ccc([O-])cc2)cc1Cl	ZINC000037389427	173172289	/nfs/dbraw/zinc/17/22/89/173172289.db2.gz	GBKQOUDCINGWDS-UHFFFAOYSA-N	-1	3	272.691	3.170	10	30		CGEEHM
C=CCCc1c([O-])c(Br)ccc1C(=O)OCC	ZINC000584598491	346688401	/nfs/dbraw/zinc/68/84/01/346688401.db2.gz	PEUUBSXWATVVJZ-UHFFFAOYSA-N	-1	3	299.164	3.450	10	30		CGEEHM
N#CC=C([O-])c1ccc(Cl)c(Br)c1	ZINC000014960873	368687455	/nfs/dbraw/zinc/68/74/55/368687455.db2.gz	OYXBXLJNOOIBRA-UHFFFAOYSA-N	-1	3	258.502	3.199	10	30		CGEEHM
N#CCc1ccc(OC(F)F)c([O-])c1C(F)(F)F	ZINC000575662048	377938847	/nfs/dbraw/zinc/93/88/47/377938847.db2.gz	PLVADJRYCXTOFT-UHFFFAOYSA-N	-1	3	267.153	3.078	10	30		CGEEHM
COC(=O)c1ccc(C=N[N-]c2nc3ccccc3o2)cc1	ZINC000020805845	171273084	/nfs/dbraw/zinc/27/30/84/171273084.db2.gz	KMMHPLBCXRRGDL-LICLKQGHSA-N	-1	3	295.298	3.060	10	30		CGEEHM
N#CCc1c([O-])cc(OC(F)(F)F)cc1Br	ZINC000575690787	377965435	/nfs/dbraw/zinc/96/54/35/377965435.db2.gz	CIFLPWHTDGFZMD-UHFFFAOYSA-N	-1	3	296.042	3.119	10	30		CGEEHM
[O-]/N=C/[C@]1(c2nccc3ccccc32)C=CC=CC1	ZINC000100290364	279717746	/nfs/dbraw/zinc/71/77/46/279717746.db2.gz	JZBXIZFZADYXNF-IQFISFIMSA-N	-1	3	250.301	3.449	10	30		CGEEHM
C[C@@H]1CCCC[C@H]1Oc1cccc(Cl)c1/C(N)=N/[O-]	ZINC000052906808	524180363	/nfs/dbraw/zinc/18/03/63/524180363.db2.gz	YFSWFRDBASMBTB-MWLCHTKSSA-N	-1	3	282.771	3.392	10	30		CGEEHM
N#C[C@@H]1CCC[C@H]1NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000061891392	623186542	/nfs/dbraw/zinc/18/65/42/623186542.db2.gz	CPZYEIVAQCFSLP-QPUJVOFHSA-N	-1	3	285.174	3.481	10	30		CGEEHM
[O-]N=C[C@]1(c2nccc3ccccc32)C=CC=CC1	ZINC000255982349	346398931	/nfs/dbraw/zinc/39/89/31/346398931.db2.gz	JZBXIZFZADYXNF-INIZCTEOSA-N	-1	3	250.301	3.449	10	30		CGEEHM
CCCOc1c(Br)cc(C=N[O-])cc1OC	ZINC000254393718	377706142	/nfs/dbraw/zinc/70/61/42/377706142.db2.gz	SCTSKSMXYFYWOO-UHFFFAOYSA-N	-1	3	288.141	3.055	10	30		CGEEHM
C[C@H]1CCCC[C@@H]1Oc1cccc(Cl)c1/C(N)=N/[O-]	ZINC000052906806	526259473	/nfs/dbraw/zinc/25/94/73/526259473.db2.gz	YFSWFRDBASMBTB-ONGXEEELSA-N	-1	3	282.771	3.392	10	30		CGEEHM
CC(=O)Nc1ccc([O-])c(C(=O)N2CC[C@H]3CCC[C@@H]32)c1	ZINC000330299948	528747401	/nfs/dbraw/zinc/74/74/01/528747401.db2.gz	IGGXNIVINLOMPN-RISCZKNCSA-N	-1	3	288.347	3.015	10	30		CGEEHM
[O-]N=C[C@@]1(c2nccc3ccccc32)C=CC=CC1	ZINC000255982350	346398862	/nfs/dbraw/zinc/39/88/62/346398862.db2.gz	JZBXIZFZADYXNF-MRXNPFEDSA-N	-1	3	250.301	3.449	10	30		CGEEHM
C=CCNc1ncnc([N-]c2nc3ccccc3s2)c1N	ZINC000040708946	174380026	/nfs/dbraw/zinc/38/00/26/174380026.db2.gz	YHASRGMDRPEADN-UHFFFAOYSA-N	-1	3	298.375	3.010	10	30		CGEEHM
CCCCOCCOc1ccc(/C(C)=N/[O-])cc1	ZINC000049262480	520792750	/nfs/dbraw/zinc/79/27/50/520792750.db2.gz	HARHSDNSNHNIGL-NTCAYCPXSA-N	-1	3	251.326	3.080	10	30		CGEEHM
C[C@H]1CCCC[C@H]1Oc1cc(Cl)ccc1/C(N)=N/[O-]	ZINC000062789623	526263017	/nfs/dbraw/zinc/26/30/17/526263017.db2.gz	LZZBTIJYKBVUOY-JOYOIKCWSA-N	-1	3	282.771	3.392	10	30		CGEEHM
N#C[C@H]1CCC[C@@H]1NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000061891391	623186261	/nfs/dbraw/zinc/18/62/61/623186261.db2.gz	CPZYEIVAQCFSLP-PELKAZGASA-N	-1	3	285.174	3.481	10	30		CGEEHM
CCCCOc1ccc([C@H](CCC)C(=O)N[O-])cc1	ZINC000138553425	346096888	/nfs/dbraw/zinc/09/68/88/346096888.db2.gz	XQTREDVXSGVXPT-AWEZNQCLSA-N	-1	3	265.353	3.255	10	30		CGEEHM
CCc1cccc(/C(=N/OC(C)=O)c2ccccc2)c1[O-]	ZINC000584605076	346690359	/nfs/dbraw/zinc/69/03/59/346690359.db2.gz	LKKKLNYKDPHULD-FBMGVBCBSA-N	-1	3	283.327	3.270	10	30		CGEEHM
CCCCOc1ccc(CC[C@H](C)N([O-])C(C)=O)cc1	ZINC000026149266	368855511	/nfs/dbraw/zinc/85/55/11/368855511.db2.gz	HVBZUKBIXCRUAU-ZDUSSCGKSA-N	-1	3	279.380	3.424	10	30		CGEEHM
Cc1ccc(NC(=S)N/N=C\c2ccccc2[O-])cc1	ZINC000058983826	369577725	/nfs/dbraw/zinc/57/77/25/369577725.db2.gz	OVHMKBPLRDYIKQ-YBEGLDIGSA-N	-1	3	285.372	3.021	10	30		CGEEHM
[O-]/N=C(/c1ccccc1)c1ccccc1-c1ncc[nH]1	ZINC000215934383	376155572	/nfs/dbraw/zinc/15/55/72/376155572.db2.gz	WGKIWFCGZYPLQF-CYVLTUHYSA-N	-1	3	263.300	3.303	10	30		CGEEHM
[O-]N=C(c1ccccc1)c1ccccc1-c1ncc[nH]1	ZINC000215934383	376155581	/nfs/dbraw/zinc/15/55/81/376155581.db2.gz	WGKIWFCGZYPLQF-CYVLTUHYSA-N	-1	3	263.300	3.303	10	30		CGEEHM
N#CCc1cc(OC(F)(F)F)c(Br)cc1[O-]	ZINC000575689757	377965347	/nfs/dbraw/zinc/96/53/47/377965347.db2.gz	DLWOUQJQXHKBEZ-UHFFFAOYSA-N	-1	3	296.042	3.119	10	30		CGEEHM
[O-]c1ccc(F)c(C(F)(F)F)c1OC(F)(F)F	ZINC000575705371	377977995	/nfs/dbraw/zinc/97/79/95/377977995.db2.gz	XLCRQHHPGNZHOO-UHFFFAOYSA-N	-1	3	264.096	3.449	10	30		CGEEHM
CC(=O)N(C)c1ccc(/N=C/c2ccc([O-])cc2)cc1	ZINC000000286688	169597671	/nfs/dbraw/zinc/59/76/71/169597671.db2.gz	FXXVHTSQWPBACK-GZTJUZNOSA-N	-1	3	268.316	3.126	10	30		CGEEHM
O=C(NC1CCC(C(F)(F)F)CC1)c1csc(=O)[n-]1	ZINC000329916946	542449359	/nfs/dbraw/zinc/44/93/59/542449359.db2.gz	QOKHZOTXZOPWOR-UHFFFAOYSA-N	-1	3	294.298	3.274	10	30		CGEEHM
C/C(=N\[O-])c1cccc(NC(=O)NC2CCCCC2)c1	ZINC000019434403	170798949	/nfs/dbraw/zinc/79/89/49/170798949.db2.gz	SEYCGYAYGLAJGO-WOJGMQOQSA-N	-1	3	275.352	3.339	10	30		CGEEHM
CCC(C#N)=C([O-])c1ccc(Br)cc1F	ZINC000036916061	344945500	/nfs/dbraw/zinc/94/55/00/344945500.db2.gz	OJBMIPDAPOJAIC-SSDOTTSWSA-N	-1	3	270.101	3.321	10	30		CGEEHM
CN([O-])C(=O)/C=C/c1ccc(-c2ccccc2)cc1	ZINC000028103871	368881290	/nfs/dbraw/zinc/88/12/90/368881290.db2.gz	TUEHLNCQVBWQNV-FMIVXFBMSA-N	-1	3	253.301	3.214	10	30	in-vivo	CGEEHM
CCOC(=O)c1c([O-])ccc(C#N)c1SC(F)(F)F	ZINC000575392350	377899967	/nfs/dbraw/zinc/89/99/67/377899967.db2.gz	UUCUDJUYDLCHCF-UHFFFAOYSA-N	-1	3	291.250	3.052	10	30		CGEEHM
CCOC(=O)c1cc(SC(F)(F)F)c(C#N)cc1[O-]	ZINC000575392009	377899641	/nfs/dbraw/zinc/89/96/41/377899641.db2.gz	KXMPZTLNTFEKLY-UHFFFAOYSA-N	-1	3	291.250	3.052	10	30		CGEEHM
O=C(/C=C/Cl)c1cc([O-])cc(Br)c1	ZINC000575464254	393200212	/nfs/dbraw/zinc/20/02/12/393200212.db2.gz	PMFDBKLLIDUEJT-OWOJBTEDSA-N	-1	3	261.502	3.090	10	30		CGEEHM
Cc1ccc([O-])c(/N=C/c2ccc3c(c2)OCO3)c1	ZINC000100132135	185706567	/nfs/dbraw/zinc/70/65/67/185706567.db2.gz	LWBDSBUDXYLAJK-LZYBPNLTSA-N	-1	3	255.273	3.180	10	30		CGEEHM
COC(=O)c1ccc(/C=N/c2ccc(C)cc2[O-])cc1	ZINC000000226286	368319260	/nfs/dbraw/zinc/31/92/60/368319260.db2.gz	CQWPKUKJZBGIKR-LICLKQGHSA-N	-1	3	269.300	3.238	10	30		CGEEHM
N#CCc1cc(Br)cc(OC(F)(F)F)c1[O-]	ZINC000575691887	377966890	/nfs/dbraw/zinc/96/68/90/377966890.db2.gz	RPIZRALOLSVOGP-UHFFFAOYSA-N	-1	3	296.042	3.119	10	30		CGEEHM
[O-]/N=C/c1ccc(OCc2cccnc2)c(Cl)c1	ZINC000253560721	328115799	/nfs/dbraw/zinc/11/57/99/328115799.db2.gz	BDVSWMXQXSMVIS-LZYBPNLTSA-N	-1	3	262.696	3.122	10	30		CGEEHM
[O-]c1c(Br)cc(Cl)cc1CS	ZINC000757165247	617829199	/nfs/dbraw/zinc/82/91/99/617829199.db2.gz	LCHDNVSUQXHEKH-UHFFFAOYSA-N	-1	3	253.548	3.238	10	30		CGEEHM
C#CCCCOc1ccc(C(=O)c2cccc([O-])c2)cc1	ZINC000144539757	346118274	/nfs/dbraw/zinc/11/82/74/346118274.db2.gz	GKLDXGZMEOQPTA-UHFFFAOYSA-N	-1	3	280.323	3.415	10	30		CGEEHM
CCc1ccccc1NN=C(C)c1ccc(O)c([O-])c1O	ZINC000003909082	368524336	/nfs/dbraw/zinc/52/43/36/368524336.db2.gz	NAEAEBWXJKTISS-YVLHZVERSA-N	-1	3	286.331	3.202	10	30		CGEEHM
CCCCOc1ccc(CCCN([O-])C(C)=O)cc1	ZINC000029565667	368896948	/nfs/dbraw/zinc/89/69/48/368896948.db2.gz	MHWTZCUZHQXROW-UHFFFAOYSA-N	-1	3	265.353	3.036	10	30		CGEEHM
N#CC=C([O-])c1ccc(Br)cc1Cl	ZINC000037367029	344950270	/nfs/dbraw/zinc/95/02/70/344950270.db2.gz	VIPPLCMBACIPKZ-UHFFFAOYSA-N	-1	3	258.502	3.199	10	30		CGEEHM
CN(/C=N\c1ccc(C(=O)[O-])cc1)c1ccccc1	ZINC000085475790	179079011	/nfs/dbraw/zinc/07/90/11/179079011.db2.gz	XHISAOSCQLEAFC-WJDWOHSUSA-N	-1	3	254.289	3.181	10	30		CGEEHM
CCCCOc1ccc(C[C@H](C)N([O-])C(C)=O)cc1	ZINC000029568215	368897317	/nfs/dbraw/zinc/89/73/17/368897317.db2.gz	RZAPIGSSPDVCID-LBPRGKRZSA-N	-1	3	265.353	3.034	10	30		CGEEHM
CC(=O)c1ccc(N=Cc2ccc(O)cc2[O-])cc1	ZINC000254850622	377714860	/nfs/dbraw/zinc/71/48/60/377714860.db2.gz	GHXZGPRSVZJGIM-UHFFFAOYSA-N	-1	3	255.273	3.051	10	30		CGEEHM
N#CCc1c([O-])ccc(OC(F)(F)F)c1Br	ZINC000575690741	377965795	/nfs/dbraw/zinc/96/57/95/377965795.db2.gz	BNQOIFIOHQJFTI-UHFFFAOYSA-N	-1	3	296.042	3.119	10	30		CGEEHM
[O-]c1cc(O)ccc1C=NNc1ccc2ccccc2n1	ZINC000004982253	170048449	/nfs/dbraw/zinc/04/84/49/170048449.db2.gz	DCMXMMXKJZXPCW-LICLKQGHSA-N	-1	3	279.299	3.092	10	30		CGEEHM
COc1cccc(/N=C/c2ccc(OC)c([O-])c2)c1	ZINC000005514633	170106864	/nfs/dbraw/zinc/10/68/64/170106864.db2.gz	FQNQXPKOAFTVIJ-MHWRWJLKSA-N	-1	3	257.289	3.160	10	30		CGEEHM
COC(=O)c1sc(SC)c2c1CC(C)(C)C/C2=N\[O-]	ZINC000013658441	277174599	/nfs/dbraw/zinc/17/45/99/277174599.db2.gz	SJOCPYUKFOTDAN-RIYZIHGNSA-N	-1	3	299.417	3.407	10	30		CGEEHM
[O-]/N=C/[C@@]1(c2nccc3ccccc32)C=CC=CC1	ZINC000100290360	295390277	/nfs/dbraw/zinc/39/02/77/295390277.db2.gz	JZBXIZFZADYXNF-YAJBTMAUSA-N	-1	3	250.301	3.449	10	30		CGEEHM
Cc1cc(Sc2ccc([O-])cc2)c(C#N)c(C)n1	ZINC000156542534	525441295	/nfs/dbraw/zinc/44/12/95/525441295.db2.gz	YSPMSCUFEAWOQB-UHFFFAOYSA-N	-1	3	256.330	3.427	10	30		CGEEHM
C(=N[N-]c1nc(-c2ccccc2)cs1)c1ccco1	ZINC000015919497	368704474	/nfs/dbraw/zinc/70/44/74/368704474.db2.gz	OLGQAKIYYSJBGL-DHDCSXOGSA-N	-1	3	269.329	3.271	10	30		CGEEHM
CC(C)N([O-])C(=O)/C=C/c1ccc2ccccc2c1	ZINC000027656475	368874324	/nfs/dbraw/zinc/87/43/24/368874324.db2.gz	YSPUHKNSTMTKLQ-CSKARUKUSA-N	-1	3	255.317	3.479	10	30		CGEEHM
N#Cc1ccc(NC(=O)c2cccc([O-])c2)cc1Cl	ZINC000037388903	173172555	/nfs/dbraw/zinc/17/25/55/173172555.db2.gz	DYJVZWUGWUXLMO-UHFFFAOYSA-N	-1	3	272.691	3.170	10	30		CGEEHM
C[C@H](C(=O)N(C)[O-])c1ccc(OCc2ccccc2)cc1	ZINC000026264936	368856938	/nfs/dbraw/zinc/85/69/38/368856938.db2.gz	VFSCYWVNAXCZLJ-ZDUSSCGKSA-N	-1	3	285.343	3.217	10	30		CGEEHM
N#CC(=C([O-])c1ccc(F)cc1Cl)c1ccccn1	ZINC000046440030	369294253	/nfs/dbraw/zinc/29/42/53/369294253.db2.gz	LOKOXLBIJMFXJQ-NSHDSACASA-N	-1	3	274.682	3.364	10	30		CGEEHM
O=C(c1ccccc1Cl)N([O-])Cc1ccccc1	ZINC000196409852	640602548	/nfs/dbraw/zinc/60/25/48/640602548.db2.gz	FXUDELVSKRJNKS-UHFFFAOYSA-N	-1	3	261.708	3.372	10	30		CGEEHM
O=C1[N-]/C(=N/Cc2ccccc2)S[C@H]1c1ccccc1	ZINC000044175692	345006804	/nfs/dbraw/zinc/00/68/04/345006804.db2.gz	IKYDGCVFMGKCMM-AWEZNQCLSA-N	-1	3	282.368	3.147	10	30		CGEEHM
CCOC(=O)c1[n-]c(C(C)(C)C)nc1C#Cc1ccccc1	ZINC000144023185	346116972	/nfs/dbraw/zinc/11/69/72/346116972.db2.gz	NXVIBVVDUIHKQQ-UHFFFAOYSA-N	-1	3	296.370	3.284	10	30		CGEEHM
CCOC(=O)c1ccc(N=Cc2ccccc2[O-])cc1	ZINC000254382951	346394859	/nfs/dbraw/zinc/39/48/59/346394859.db2.gz	LFPLHVSNSZORMO-UHFFFAOYSA-N	-1	3	269.300	3.320	10	30		CGEEHM
COc1cc(/C=C2/CC[C@H](C)CC2=O)cc(OC)c1[O-]	ZINC000584601493	346689952	/nfs/dbraw/zinc/68/99/52/346689952.db2.gz	XLTDLPKFYWOVCO-BZPKPHBRSA-N	-1	3	276.332	3.182	10	30		CGEEHM
CC(=O)N([O-])Cc1ccc(OCc2ccccc2)cc1	ZINC000000002908	368269711	/nfs/dbraw/zinc/26/97/11/368269711.db2.gz	LWIAYVCOMRXMSJ-UHFFFAOYSA-N	-1	3	271.316	3.003	10	30	investigational	CGEEHM
CC(=N\N=C(C)/C(C)=N\[O-])/C(C)=N/OCc1ccccc1	ZINC000255961401	377791272	/nfs/dbraw/zinc/79/12/72/377791272.db2.gz	OYVWHZKSOUHXEW-XAGXRIIPSA-N	-1	3	288.351	3.266	10	30		CGEEHM
N#CCc1cc(OC(F)F)cc(C(F)(F)F)c1[O-]	ZINC000575662059	377938429	/nfs/dbraw/zinc/93/84/29/377938429.db2.gz	PWSZJEIDYLENNG-UHFFFAOYSA-N	-1	3	267.153	3.078	10	30		CGEEHM
N#CCc1cc(C(F)F)c([O-])cc1Br	ZINC000575686559	377960967	/nfs/dbraw/zinc/96/09/67/377960967.db2.gz	PCIOHCGRIPGPQG-UHFFFAOYSA-N	-1	3	262.053	3.158	10	30		CGEEHM
COc1cc(C=N[O-])ccc1OCc1ccc(F)cc1	ZINC000250376479	640812229	/nfs/dbraw/zinc/81/22/29/640812229.db2.gz	INYUAFBGJOBIJN-UHFFFAOYSA-N	-1	3	275.279	3.221	10	30		CGEEHM
C/C(=N/NC(=S)Nc1ccc(C)cc1)c1ccccc1[O-]	ZINC000100480997	370279771	/nfs/dbraw/zinc/27/97/71/370279771.db2.gz	YCGQCCOZQBDGEZ-PDGQHHTCSA-N	-1	3	299.399	3.411	10	30		CGEEHM
CCOC(=O)c1c([O-])cc(SC(F)(F)F)cc1C#N	ZINC000575391993	377899602	/nfs/dbraw/zinc/89/96/02/377899602.db2.gz	KATXIOSWYRPRBK-UHFFFAOYSA-N	-1	3	291.250	3.052	10	30		CGEEHM
N#CCc1cc([O-])c(OC(F)(F)F)cc1Br	ZINC000575692062	377966449	/nfs/dbraw/zinc/96/64/49/377966449.db2.gz	UKMKUZHFMDWHKP-UHFFFAOYSA-N	-1	3	296.042	3.119	10	30		CGEEHM
N#CCc1c(Br)cc([O-])cc1C(F)(F)F	ZINC000575692588	377968089	/nfs/dbraw/zinc/96/80/89/377968089.db2.gz	YAFACCNCZHCWCW-UHFFFAOYSA-N	-1	3	280.043	3.240	10	30		CGEEHM
Cc1ccccc1N/C(=N/[O-])c1cccc([N+](=O)[O-])c1	ZINC000003083715	368490610	/nfs/dbraw/zinc/49/06/10/368490610.db2.gz	JQSBQHFRPLZCBX-UHFFFAOYSA-N	-1	3	271.276	3.151	10	30		CGEEHM
N#CCc1c(Br)cc([O-])cc1OC(F)(F)F	ZINC000575690898	377966710	/nfs/dbraw/zinc/96/67/10/377966710.db2.gz	DUUSZNOWACNLQQ-UHFFFAOYSA-N	-1	3	296.042	3.119	10	30		CGEEHM
CN=C([S-])NN=Cc1c(Cl)ccc(Cl)c1Cl	ZINC000006228516	170183985	/nfs/dbraw/zinc/18/39/85/170183985.db2.gz	IFFJQTOGVCOLBL-LNKIKWGQSA-N	-1	3	296.610	3.486	10	30		CGEEHM
C[C@@H]1CCCC[C@@H]1Oc1cccc(Cl)c1/C(N)=N/[O-]	ZINC000052906804	524151381	/nfs/dbraw/zinc/15/13/81/524151381.db2.gz	YFSWFRDBASMBTB-KOLCDFICSA-N	-1	3	282.771	3.392	10	30		CGEEHM
C[C@H]1CCCC[C@H]1Oc1cccc(Cl)c1/C(N)=N/[O-]	ZINC000052906809	526262955	/nfs/dbraw/zinc/26/29/55/526262955.db2.gz	YFSWFRDBASMBTB-GXSJLCMTSA-N	-1	3	282.771	3.392	10	30		CGEEHM
CC(C)C(C#N)=C([O-])c1ccc(Br)o1	ZINC000041045649	344967108	/nfs/dbraw/zinc/96/71/08/344967108.db2.gz	ZLBWHDJNRFYAPF-SSDOTTSWSA-N	-1	3	256.099	3.021	10	30		CGEEHM
C=CCc1c(C)c(C)cc(C(=O)N(CC)CC)c1[O-]	ZINC000034459573	344939819	/nfs/dbraw/zinc/93/98/19/344939819.db2.gz	QGAPBJNCTUBBLL-UHFFFAOYSA-N	-1	3	261.365	3.220	10	30		CGEEHM
N#CCc1c([O-])cc(C(F)(F)F)cc1OC(F)F	ZINC000575661467	377938399	/nfs/dbraw/zinc/93/83/99/377938399.db2.gz	GSPQJJFTXDGKFP-UHFFFAOYSA-N	-1	3	267.153	3.078	10	30		CGEEHM
N#CCc1cc(Br)cc([O-])c1OC(F)(F)F	ZINC000575689822	377965016	/nfs/dbraw/zinc/96/50/16/377965016.db2.gz	HFNUJNILDCFGIS-UHFFFAOYSA-N	-1	3	296.042	3.119	10	30		CGEEHM
O=C(N[O-])[C@@H](Oc1ccc2c(c1)CCCC2)c1ccccc1	ZINC000166749063	346187466	/nfs/dbraw/zinc/18/74/66/346187466.db2.gz	IYMAPCVKGOELBD-KRWDZBQOSA-N	-1	3	297.354	3.191	10	30		CGEEHM
Nc1ccc(Cl)cc1[C@]([O-])(C#CC1CC1)C(F)(F)F	ZINC000022054360	295352640	/nfs/dbraw/zinc/35/26/40/295352640.db2.gz	KEMUGFRERPPUHB-GFCCVEGCSA-N	-1	3	289.684	3.086	10	30	in-vitro	CGEEHM
C[C@@H]1CCCC[C@H]1Oc1cc(Cl)ccc1/C(N)=N/[O-]	ZINC000062789622	524178945	/nfs/dbraw/zinc/17/89/45/524178945.db2.gz	LZZBTIJYKBVUOY-BXKDBHETSA-N	-1	3	282.771	3.392	10	30		CGEEHM
CCN(CC)C/C(=N/[O-])c1cccc2ccccc21	ZINC000148288947	346128237	/nfs/dbraw/zinc/12/82/37/346128237.db2.gz	YJYUDOFPZGFNPU-MSUUIHNZSA-N	-1	3	256.349	3.360	10	30		CGEEHM
CC(C)C(=O)C=C([O-])C(F)(F)C(F)(F)C(F)(F)F	ZINC000111909848	370409452	/nfs/dbraw/zinc/40/94/52/370409452.db2.gz	SRYIDYXKUUXFNI-UHFFFAOYSA-N	-1	3	282.155	3.004	10	30		CGEEHM
C/C=C/C[C@H](COCc1ccccc1)OC/C=N\[O-]	ZINC000216144346	376158154	/nfs/dbraw/zinc/15/81/54/376158154.db2.gz	SDFIKCQYVPRDBJ-OHGQHHCDSA-N	-1	3	263.337	3.015	10	30		CGEEHM
C/C(=N\[O-])c1cccc(NC(=O)c2ccc(C)cc2)c1	ZINC000019511364	170820728	/nfs/dbraw/zinc/82/07/28/170820728.db2.gz	OWIYYBDVMVGGBT-LDADJPATSA-N	-1	3	268.316	3.446	10	30		CGEEHM
O=C(/C=C\c1cc(Br)ccc1[O-])C1CC1	ZINC000096854321	185116913	/nfs/dbraw/zinc/11/69/13/185116913.db2.gz	FOLISHFUWHPTMG-HYXAFXHYSA-N	-1	3	267.122	3.147	10	30		CGEEHM
CC(C)Cc1ccc([C@@H](C(=O)N(C)[O-])C(C)C)cc1	ZINC000026264687	368856956	/nfs/dbraw/zinc/85/69/56/368856956.db2.gz	IKCDYKLPBFXVDU-HNNXBMFYSA-N	-1	3	263.381	3.472	10	30		CGEEHM
CCOC(=O)C(Cl)=N[N-]c1ccccc1C(F)(F)F	ZINC000101338247	370288242	/nfs/dbraw/zinc/28/82/42/370288242.db2.gz	KOTWSMZTIFTQHU-RQZCQDPDSA-N	-1	3	294.660	3.233	10	30		CGEEHM
[O-]/N=C1/CCCc2sc(-c3ccc(F)cc3)nc21	ZINC000100481777	295390371	/nfs/dbraw/zinc/39/03/71/295390371.db2.gz	OUPRRQJFXORULA-YBEGLDIGSA-N	-1	3	262.309	3.464	10	30		CGEEHM
CCC(C#N)=C([O-])c1ccc(Br)cc1F	ZINC000036916060	344945806	/nfs/dbraw/zinc/94/58/06/344945806.db2.gz	OJBMIPDAPOJAIC-ZETCQYMHSA-N	-1	3	270.101	3.321	10	30		CGEEHM
[O-]c1ccccc1/C=N/N=C/c1ccc(Cl)cc1	ZINC000002379681	368452659	/nfs/dbraw/zinc/45/26/59/368452659.db2.gz	WXMYWHXZNBHAMA-CZCYGEDCSA-N	-1	3	258.708	3.499	10	30		CGEEHM
COc1cc(/C=N/[O-])ccc1OCc1ccccc1C	ZINC000103858245	533482869	/nfs/dbraw/zinc/48/28/69/533482869.db2.gz	QGSBJZMNHZPBGR-LICLKQGHSA-N	-1	3	271.316	3.391	10	30		CGEEHM
N#CCc1cc([O-])cc(C(F)(F)F)c1C(F)(F)F	ZINC000514262996	346636372	/nfs/dbraw/zinc/63/63/72/346636372.db2.gz	LUEBATRYRQQHHE-UHFFFAOYSA-N	-1	3	269.144	3.496	10	30		CGEEHM
N#CCc1c([O-])ccc(Br)c1OC(F)(F)F	ZINC000575690790	377965711	/nfs/dbraw/zinc/96/57/11/377965711.db2.gz	CMYIIRDPKGYDBM-UHFFFAOYSA-N	-1	3	296.042	3.119	10	30		CGEEHM
N#CCc1c([O-])c(OC(F)(F)F)ccc1Br	ZINC000575691679	377966950	/nfs/dbraw/zinc/96/69/50/377966950.db2.gz	PEMMRGBFHGSNGP-UHFFFAOYSA-N	-1	3	296.042	3.119	10	30		CGEEHM
CC(=O)Nc1ccc([O-])c(C(=O)N2CC[C@H]3CCC[C@H]32)c1	ZINC000330299946	542450211	/nfs/dbraw/zinc/45/02/11/542450211.db2.gz	IGGXNIVINLOMPN-BXUZGUMPSA-N	-1	3	288.347	3.015	10	30		CGEEHM
Cc1cc(C)c(C#N)c(Sc2ccc([O-])cc2)n1	ZINC000038079168	174089248	/nfs/dbraw/zinc/08/92/48/174089248.db2.gz	FKNMGHMMNQZZSM-UHFFFAOYSA-N	-1	3	256.330	3.427	10	30		CGEEHM
COc1cc(/C=N/[O-])cc(Cl)c1OCc1cccnc1	ZINC000253564550	328115779	/nfs/dbraw/zinc/11/57/79/328115779.db2.gz	GQJRKIPSKYHNCL-CAOOACKPSA-N	-1	3	292.722	3.131	10	30		CGEEHM
CC(C)CCCOc1ccc(Cl)cc1/C(N)=N/[O-]	ZINC000052860828	519642785	/nfs/dbraw/zinc/64/27/85/519642785.db2.gz	HLWAGTFVCIDWNH-UHFFFAOYSA-N	-1	3	270.760	3.250	10	30		CGEEHM
[O-]N=C(c1ccccc1)c1ccccc1-c1ncc[nH]1	ZINC000257354195	346399940	/nfs/dbraw/zinc/39/99/40/346399940.db2.gz	WGKIWFCGZYPLQF-UHFFFAOYSA-N	-1	3	263.300	3.303	10	30		CGEEHM
N#CC=C([O-])c1ccc(Cl)cc1Br	ZINC000228793548	376450011	/nfs/dbraw/zinc/45/00/11/376450011.db2.gz	IFXXDNOSJHHORO-UHFFFAOYSA-N	-1	3	258.502	3.199	10	30		CGEEHM
N#CCc1c([O-])cc(Br)cc1C(F)F	ZINC000575687079	377961869	/nfs/dbraw/zinc/96/18/69/377961869.db2.gz	UBQSWTRYEDWEMJ-UHFFFAOYSA-N	-1	3	262.053	3.158	10	30		CGEEHM
N#CCc1c(Br)cc([O-])cc1C(F)F	ZINC000575687626	377961939	/nfs/dbraw/zinc/96/19/39/377961939.db2.gz	UYRQPBKVBWVRFN-UHFFFAOYSA-N	-1	3	262.053	3.158	10	30		CGEEHM
[O-]c1c(F)ccc(C(F)(F)F)c1OC(F)(F)F	ZINC000575703318	377977003	/nfs/dbraw/zinc/97/70/03/377977003.db2.gz	LQEUGWLHDMGBCX-UHFFFAOYSA-N	-1	3	264.096	3.449	10	30		CGEEHM
N/C(=N\[O-])c1ccccc1Sc1cc(F)ccc1F	ZINC000035676293	172346521	/nfs/dbraw/zinc/34/65/21/172346521.db2.gz	WAFAEWXQLYSYST-UHFFFAOYSA-N	-1	3	280.299	3.211	10	30		CGEEHM
CCCCCCCCCCCC#Cc1c[nH]c(=O)[n-]c1=O	ZINC000058569454	345197312	/nfs/dbraw/zinc/19/73/12/345197312.db2.gz	DUUYYFSOPHFVHN-UHFFFAOYSA-N	-1	3	290.407	3.336	10	30		CGEEHM
Cc1noc(/N=C/c2cc(Cl)ccc2[O-])c1C	ZINC000584621926	346695952	/nfs/dbraw/zinc/69/59/52/346695952.db2.gz	YPCOYEZTLQPUGI-MKMNVTDBSA-N	-1	3	250.685	3.401	10	30		CGEEHM
N/C(=N\[O-])c1ccc(Sc2nc3ccccc3o2)cc1	ZINC000019866474	170899391	/nfs/dbraw/zinc/89/93/91/170899391.db2.gz	LRSFFAAKBKMDEM-UHFFFAOYSA-N	-1	3	285.328	3.074	10	30		CGEEHM
O=C(CCCCCCc1ccc2ccccc2c1)C(=O)N[O-]	ZINC000584652266	346705226	/nfs/dbraw/zinc/70/52/26/346705226.db2.gz	LJCWFLIGSWXPOK-UHFFFAOYSA-N	-1	3	299.370	3.407	10	30		CGEEHM
N#CC=C([O-])c1cc(Cl)ccc1Br	ZINC000144914125	346119164	/nfs/dbraw/zinc/11/91/64/346119164.db2.gz	FCRGAAFJMFZKDV-UHFFFAOYSA-N	-1	3	258.502	3.199	10	30		CGEEHM
[O-]c1c(F)cc(C(F)(F)F)cc1OC(F)(F)F	ZINC000575702865	377975850	/nfs/dbraw/zinc/97/58/50/377975850.db2.gz	HVJHJKITOFRLIS-UHFFFAOYSA-N	-1	3	264.096	3.449	10	30		CGEEHM
[O-]c1cc(OC(F)(F)F)c(F)c(C(F)(F)F)c1	ZINC000575703715	377977032	/nfs/dbraw/zinc/97/70/32/377977032.db2.gz	HWKVWCZVWSXAFD-UHFFFAOYSA-N	-1	3	264.096	3.449	10	30		CGEEHM
Cc1cc([N+](=O)[O-])ccc1/N=C/c1ccc([O-])cc1	ZINC000005362020	170089648	/nfs/dbraw/zinc/08/96/48/170089648.db2.gz	IPLLDELUKILMAI-OQLLNIDSSA-N	-1	3	256.261	3.359	10	30		CGEEHM
CC(=NNc1n[nH]c(=S)[n-]1)c1ccc2ccccc2c1	ZINC000005895932	170151396	/nfs/dbraw/zinc/15/13/96/170151396.db2.gz	MEVSPRRDHMILMU-CXUHLZMHSA-N	-1	3	283.360	3.083	10	30		CGEEHM
CC/C(=N/[O-])c1ccc(OCCOC(C)C)cc1	ZINC000049259770	520180108	/nfs/dbraw/zinc/18/01/08/520180108.db2.gz	PQURZAFFZKEVQA-PFONDFGASA-N	-1	3	251.326	3.079	10	30		CGEEHM
N#C[C@H]1CCC[C@H]1NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000061891390	623185471	/nfs/dbraw/zinc/18/54/71/623185471.db2.gz	CPZYEIVAQCFSLP-PRHODGIISA-N	-1	3	285.174	3.481	10	30		CGEEHM
N#CCc1c([O-])cc(C(F)(F)F)cc1C(F)(F)F	ZINC000514261887	346636155	/nfs/dbraw/zinc/63/61/55/346636155.db2.gz	KIGWYNYKVRWHGD-UHFFFAOYSA-N	-1	3	269.144	3.496	10	30		CGEEHM
N#CCc1cc([O-])c(C(F)(F)F)cc1C(F)(F)F	ZINC000514263085	346636508	/nfs/dbraw/zinc/63/65/08/346636508.db2.gz	XIFNVZWYKJMKKS-UHFFFAOYSA-N	-1	3	269.144	3.496	10	30		CGEEHM
N#CCc1cc([O-])c(C(F)(F)F)cc1OC(F)F	ZINC000575661586	377938452	/nfs/dbraw/zinc/93/84/52/377938452.db2.gz	JUHVEYMWVNYGNC-UHFFFAOYSA-N	-1	3	267.153	3.078	10	30		CGEEHM
[O-]/N=C1\CCCc2sc(-c3ccc(F)cc3)nc21	ZINC000095829241	295390509	/nfs/dbraw/zinc/39/05/09/295390509.db2.gz	OUPRRQJFXORULA-MHWRWJLKSA-N	-1	3	262.309	3.464	10	30		CGEEHM
CCOc1cc(C=N[O-])ccc1OCc1ccccc1	ZINC000250406720	640813192	/nfs/dbraw/zinc/81/31/92/640813192.db2.gz	TVVQTPSJGOWDKY-UHFFFAOYSA-N	-1	3	271.316	3.472	10	30		CGEEHM
C=CCc1ccc(C(=O)c2ccccc2C(=O)OC)cc1[O-]	ZINC000039129597	344957983	/nfs/dbraw/zinc/95/79/83/344957983.db2.gz	WSIHGOYRWKHACE-UHFFFAOYSA-N	-1	3	296.322	3.138	10	30		CGEEHM
Cc1cc(Sc2cccc([O-])c2)c(C#N)c(C)n1	ZINC000130417921	371031920	/nfs/dbraw/zinc/03/19/20/371031920.db2.gz	WALNOSNECJZRIE-UHFFFAOYSA-N	-1	3	256.330	3.427	10	30		CGEEHM
CCCCCCOc1ccc(C=N[O-])cc1OC	ZINC000249803024	640808833	/nfs/dbraw/zinc/80/88/33/640808833.db2.gz	NTJVXMVELZUDOK-UHFFFAOYSA-N	-1	3	251.326	3.462	10	30		CGEEHM
CN(C=Nc1ccc(C(=O)[O-])cc1)c1ccccc1	ZINC000257354358	346399958	/nfs/dbraw/zinc/39/99/58/346399958.db2.gz	XHISAOSCQLEAFC-UHFFFAOYSA-N	-1	3	254.289	3.181	10	30		CGEEHM
CCn1nc(C)c(C=N[N-]c2nc3ccccc3o2)c1C	ZINC000254294756	377705730	/nfs/dbraw/zinc/70/57/30/377705730.db2.gz	LQCFZMAJLDTXDS-UHFFFAOYSA-N	-1	3	283.335	3.107	10	30		CGEEHM
Cc1cc(C)c(C(=O)ON=C2C=CC(=N[O-])C=C2)c(C)c1	ZINC000008300600	170329976	/nfs/dbraw/zinc/32/99/76/170329976.db2.gz	SSZCBNSOUMTQMC-UHFFFAOYSA-N	-1	3	284.315	3.081	10	30		CGEEHM
C=CCOc1c(Cl)cc(C=N[O-])cc1OCC	ZINC000254481962	377707416	/nfs/dbraw/zinc/70/74/16/377707416.db2.gz	WJGAMUHMBYXZGH-UHFFFAOYSA-N	-1	3	255.701	3.112	10	30		CGEEHM
N#CCc1c([O-])cc(OC(F)F)cc1C(F)(F)F	ZINC000575661568	377938838	/nfs/dbraw/zinc/93/88/38/377938838.db2.gz	JMQQEBOYJUTUNL-UHFFFAOYSA-N	-1	3	267.153	3.078	10	30		CGEEHM
N#CCc1c(Br)ccc([O-])c1C(F)F	ZINC000575685966	377961252	/nfs/dbraw/zinc/96/12/52/377961252.db2.gz	NVAINTRHVFTRNQ-UHFFFAOYSA-N	-1	3	262.053	3.158	10	30		CGEEHM
CCOc1ccc(C=N[N-]c2nc3ccccc3o2)cc1O	ZINC000005653843	391925369	/nfs/dbraw/zinc/92/53/69/391925369.db2.gz	CPEJAIKFGSPRFO-LICLKQGHSA-N	-1	3	297.314	3.378	10	30		CGEEHM
CC(=O)c1ccc2c(c1)Cc1cc(N([O-])C(C)=O)ccc1-2	ZINC000005167606	170073156	/nfs/dbraw/zinc/07/31/56/170073156.db2.gz	LXVZVYKQLBVLPT-UHFFFAOYSA-N	-1	3	281.311	3.203	10	30		CGEEHM
Cc1ccc(/C(=N\[O-])c2ccc([N+](=O)[O-])cc2)cc1	ZINC000006478620	344865325	/nfs/dbraw/zinc/86/53/25/344865325.db2.gz	OMVINLSWVSQCOX-CCEZHUSRSA-N	-1	3	256.261	3.130	10	30		CGEEHM
N#CCc1cc(C(F)(F)F)c(C(F)(F)F)cc1[O-]	ZINC000514262400	346636269	/nfs/dbraw/zinc/63/62/69/346636269.db2.gz	OSZUCBZWCZIRRI-UHFFFAOYSA-N	-1	3	269.144	3.496	10	30		CGEEHM
N/C(=N\[O-])c1ccccc1Sc1ccc(F)c(F)c1	ZINC000037380833	173167271	/nfs/dbraw/zinc/16/72/71/173167271.db2.gz	HQCMHWUUZNBBNY-UHFFFAOYSA-N	-1	3	280.299	3.211	10	30		CGEEHM
O=C(CCCc1ccccc1)N([O-])Cc1ccccc1	ZINC000029487793	344917722	/nfs/dbraw/zinc/91/77/22/344917722.db2.gz	DVJSQECECAURST-UHFFFAOYSA-N	-1	3	269.344	3.427	10	30		CGEEHM
CCOC(=O)c1c([O-])c(C#N)ccc1SC(F)(F)F	ZINC000575392235	377900015	/nfs/dbraw/zinc/90/00/15/377900015.db2.gz	OWJDJZJJOUOHFU-UHFFFAOYSA-N	-1	3	291.250	3.052	10	30		CGEEHM
N#CCc1cc([O-])cc(Br)c1C(F)F	ZINC000575685025	377960150	/nfs/dbraw/zinc/96/01/50/377960150.db2.gz	ISKCQKOKSYUFBX-UHFFFAOYSA-N	-1	3	262.053	3.158	10	30		CGEEHM
C[C@H](NCc1csc(C(=O)[O-])c1)c1ccc(C#N)cc1	ZINC000689089501	976215851	/nfs/dbraw/zinc/21/58/51/976215851.db2.gz	RJUQYLWMUKFVPF-JTQLQIEISA-N	-1	3	286.356	3.169	10	30		CGEEHM
[O-]c1ccccc1C=NNc1ccc2cccc(O)c2n1	ZINC000584591686	346685937	/nfs/dbraw/zinc/68/59/37/346685937.db2.gz	OSKMQYGWZQCYIH-LICLKQGHSA-N	-1	3	279.299	3.092	10	30		CGEEHM
N#Cc1ccccc1-c1cc(-c2ccccc2[O-])n[nH]1	ZINC000584598602	346689027	/nfs/dbraw/zinc/68/90/27/346689027.db2.gz	KQJKYEKRRDBMDA-UHFFFAOYSA-N	-1	3	261.284	3.321	10	30		CGEEHM
CCC(=O)N([O-])c1ccc2c(c1)Cc1ccccc1-2	ZINC000005768104	170138884	/nfs/dbraw/zinc/13/88/84/170138884.db2.gz	ZKPHEBDABUEJDE-UHFFFAOYSA-N	-1	3	253.301	3.390	10	30		CGEEHM
CC(C#N)=C([O-])c1cc(Br)ccc1Cl	ZINC000037288049	344948838	/nfs/dbraw/zinc/94/88/38/344948838.db2.gz	NTSYPXVBMDKHCH-LURJTMIESA-N	-1	3	272.529	3.445	10	30		CGEEHM
COc1cccc2c1CCC(=O)/C2=C/c1ccc([O-])cc1	ZINC000103072636	370318603	/nfs/dbraw/zinc/31/86/03/370318603.db2.gz	FVTLPXMOORYQQZ-LFIBNONCSA-N	-1	3	280.323	3.457	10	30		CGEEHM
O=C(C=C([O-])C=Cc1cccs1)C(F)(F)C(F)F	ZINC000100316290	370276115	/nfs/dbraw/zinc/27/61/15/370276115.db2.gz	DHVPZCGSXPIICP-ONEGZZNKSA-N	-1	3	280.242	3.190	10	30		CGEEHM
N#CCc1cc(C(F)(F)F)c(OC(F)F)cc1[O-]	ZINC000575661508	377938122	/nfs/dbraw/zinc/93/81/22/377938122.db2.gz	HOBICXBZFWKLDC-UHFFFAOYSA-N	-1	3	267.153	3.078	10	30		CGEEHM
N#CCc1cc(OC(F)(F)F)c([O-])cc1Br	ZINC000575691132	377966467	/nfs/dbraw/zinc/96/64/67/377966467.db2.gz	HXGJWIOKNYGOKU-UHFFFAOYSA-N	-1	3	296.042	3.119	10	30		CGEEHM
N#CCc1cc([O-])cc(OC(F)(F)F)c1Br	ZINC000575691231	377967048	/nfs/dbraw/zinc/96/70/48/377967048.db2.gz	JIELCRVBVAWOEI-UHFFFAOYSA-N	-1	3	296.042	3.119	10	30		CGEEHM
S=c1[n-]c(NN=Cc2cccc(Cl)c2Cl)n[nH]1	ZINC000006328996	170191917	/nfs/dbraw/zinc/19/19/17/170191917.db2.gz	BLJYFSGNBHJWSQ-UUILKARUSA-N	-1	3	288.163	3.220	10	30		CGEEHM
C/C(=N\[O-])c1ccc(NC(=O)c2cccc(C)c2)cc1	ZINC000019482425	170810412	/nfs/dbraw/zinc/81/04/12/170810412.db2.gz	QETYCJIJZYRSHD-LDADJPATSA-N	-1	3	268.316	3.446	10	30		CGEEHM
COc1ccc(/C=N/[O-])cc1OCc1ccc(C)cc1	ZINC000103845236	230393346	/nfs/dbraw/zinc/39/33/46/230393346.db2.gz	RWWIHTGYPWBPKR-LICLKQGHSA-N	-1	3	271.316	3.391	10	30		CGEEHM
[O-]/N=C(\CCc1ccccc1)c1ccc2c(c1)OCCO2	ZINC000101266928	370288062	/nfs/dbraw/zinc/28/80/62/370288062.db2.gz	AALSXVYLEMDJDV-OBGWFSINSA-N	-1	3	283.327	3.269	10	30		CGEEHM
CCOC(=O)c1ccc(SC(F)(F)F)c(C#N)c1[O-]	ZINC000575392409	377900410	/nfs/dbraw/zinc/90/04/10/377900410.db2.gz	ZDAVPBGPGNZFJO-UHFFFAOYSA-N	-1	3	291.250	3.052	10	30		CGEEHM
Cc1cc([N+](=O)[O-])ccc1/C=C1\Cc2c(cccc2[O-])C1=O	ZINC000588450096	799696158	/nfs/dbraw/zinc/69/61/58/799696158.db2.gz	RXGCKSWFWSVIMK-XYOKQWHBSA-N	-1	3	295.294	3.431	10	30		CGEEHM
O=C(CCCc1ccccc1)N([O-])CCc1ccccc1	ZINC000029545499	344918442	/nfs/dbraw/zinc/91/84/42/344918442.db2.gz	SFUOMWLKDAEHOO-UHFFFAOYSA-N	-1	3	283.371	3.470	10	30		CGEEHM
CCCCCCCCCCc1c(C)nc(N)[n-]c1=O	ZINC000100023319	345910768	/nfs/dbraw/zinc/91/07/68/345910768.db2.gz	PMWPQZJTNHKYFI-UHFFFAOYSA-N	-1	3	265.401	3.344	10	30		CGEEHM
CCc1ccc(/C(=N\[O-])c2ccc(F)cc2)c(O)c1	ZINC000584605360	346691113	/nfs/dbraw/zinc/69/11/13/346691113.db2.gz	RNAPCXODYKNWKT-ICFOKQHNSA-N	-1	3	259.280	3.320	10	30		CGEEHM
[O-]c1cc(C(F)(F)F)c(F)cc1OC(F)(F)F	ZINC000575703780	377977345	/nfs/dbraw/zinc/97/73/45/377977345.db2.gz	JOUHUFVASRZRAA-UHFFFAOYSA-N	-1	3	264.096	3.449	10	30		CGEEHM
CCCCOc1ccc(C[C@@H](C)N([O-])C(C)=O)cc1	ZINC000029568211	368896834	/nfs/dbraw/zinc/89/68/34/368896834.db2.gz	RZAPIGSSPDVCID-GFCCVEGCSA-N	-1	3	265.353	3.034	10	30		CGEEHM
N#CCc1cc([O-])c(C(F)F)cc1Br	ZINC000575683627	377958097	/nfs/dbraw/zinc/95/80/97/377958097.db2.gz	CFOIWNIRNDJSPT-UHFFFAOYSA-N	-1	3	262.053	3.158	10	30		CGEEHM
N#CCc1cc([O-])c(Br)cc1OC(F)(F)F	ZINC000575689930	377965028	/nfs/dbraw/zinc/96/50/28/377965028.db2.gz	MSVGHVBFTWZVIW-UHFFFAOYSA-N	-1	3	296.042	3.119	10	30		CGEEHM
C=CCSc1nnc([N-][NH+]=Cc2c[nH]c3ccccc23)[n-]1	ZINC000005899234	170152091	/nfs/dbraw/zinc/15/20/91/170152091.db2.gz	SWWCLYAMCLRQFD-CXUHLZMHSA-N	-1	3	298.375	3.010	10	30		CGEEHM
C=CCSc1nnc(NN=Cc2c[nH]c3ccccc23)[n-]1	ZINC000005899234	170152093	/nfs/dbraw/zinc/15/20/93/170152093.db2.gz	SWWCLYAMCLRQFD-CXUHLZMHSA-N	-1	3	298.375	3.010	10	30		CGEEHM
N#Cc1c2cc([O-])ccc2nc2c1COc1cc(O)ccc1-2	ZINC000028949787	368890538	/nfs/dbraw/zinc/89/05/38/368890538.db2.gz	BEPBQWCCVBVLGI-UHFFFAOYSA-N	-1	3	290.278	3.077	10	30		CGEEHM
N[C@@H](/C=N/[O-])c1cc(C(F)(F)F)cc(C(F)(F)F)c1	ZINC000044830784	369270831	/nfs/dbraw/zinc/27/08/31/369270831.db2.gz	DIQCUSJNWHOORW-JJSRBOOSSA-N	-1	3	286.175	3.184	10	30		CGEEHM
S=c1[n-]c(NN=Cc2cccc3ccccc23)n[nH]1	ZINC000020805553	171273267	/nfs/dbraw/zinc/27/32/67/171273267.db2.gz	LUIAKVZHCWHSRH-RIYZIHGNSA-N	-1	3	269.333	3.066	10	30		CGEEHM
N#Cc1ccc(Oc2c[nH]nc2-c2ccccc2[O-])cc1	ZINC000584599126	346689037	/nfs/dbraw/zinc/68/90/37/346689037.db2.gz	NVGRXKSZXWVGHD-UHFFFAOYSA-N	-1	3	277.283	3.446	10	30		CGEEHM
[O-]c1ccccc1/C=N/c1ccc2c(c1)OC(F)(F)O2	ZINC000005334944	170087144	/nfs/dbraw/zinc/08/71/44/170087144.db2.gz	JLNUIXHALLRQRD-CAOOACKPSA-N	-1	3	277.226	3.464	10	30		CGEEHM
[O-]/N=C(/Cn1ccnc1)c1ccc(Cl)cc1Cl	ZINC000005973975	170164209	/nfs/dbraw/zinc/16/42/09/170164209.db2.gz	WDFDJSRQMAZXEJ-PTNGSMBKSA-N	-1	3	270.119	3.068	10	30		CGEEHM
CCC(C#N)=C([O-])c1cc(Br)ccc1F	ZINC000036916058	344945680	/nfs/dbraw/zinc/94/56/80/344945680.db2.gz	RRZMSJFBPSAXOI-ZETCQYMHSA-N	-1	3	270.101	3.321	10	30		CGEEHM
C=CC[C@@H](NCc1ccccc1)c1ccc(C(=O)[O-])o1	ZINC000000163932	368306518	/nfs/dbraw/zinc/30/65/18/368306518.db2.gz	QPWMBWJEOCQEGJ-CYBMUJFWSA-N	-1	3	271.316	3.385	10	30		CGEEHM
[O-]c1ccc(Br)cc1/C=N/c1ccncc1	ZINC000016672003	368719525	/nfs/dbraw/zinc/71/95/25/368719525.db2.gz	GYHMNFYAYJRJJU-OVCLIPMQSA-N	-1	3	277.121	3.300	10	30		CGEEHM
CCOC(=O)c1c([O-])ccc(SC(F)(F)F)c1C#N	ZINC000575392398	377899853	/nfs/dbraw/zinc/89/98/53/377899853.db2.gz	YJVARBJQWROOJK-UHFFFAOYSA-N	-1	3	291.250	3.052	10	30		CGEEHM
N/C(=N/[O-])c1cc(Oc2cccc(Cl)c2Cl)ccn1	ZINC000061814014	526801646	/nfs/dbraw/zinc/80/16/46/526801646.db2.gz	IXQXCMPWQPPHGX-UHFFFAOYSA-N	-1	3	298.129	3.275	10	30		CGEEHM
CSc1ccc(C#CC(=O)c2cccc([O-])c2)cc1	ZINC000225557410	346304856	/nfs/dbraw/zinc/30/48/56/346304856.db2.gz	YAACLWDZEIIUND-UHFFFAOYSA-N	-1	3	268.337	3.349	10	30		CGEEHM
N#CCc1c([O-])ccc(C(F)F)c1Br	ZINC000575684768	377959312	/nfs/dbraw/zinc/95/93/12/377959312.db2.gz	HVGIESHECFQJNK-UHFFFAOYSA-N	-1	3	262.053	3.158	10	30		CGEEHM
[O-]c1c(OC(F)(F)F)cc(F)cc1C(F)(F)F	ZINC000575704279	377976943	/nfs/dbraw/zinc/97/69/43/377976943.db2.gz	ODLPCJGBRKWRKP-UHFFFAOYSA-N	-1	3	264.096	3.449	10	30		CGEEHM
O=C1C[C@@H](/C(=N\[O-])c2ccccc2)CN1C1CCCCC1	ZINC000048524372	345067388	/nfs/dbraw/zinc/06/73/88/345067388.db2.gz	TUTQFYMRHJCRQH-MGPWXQLLSA-N	-1	3	286.375	3.046	10	30		CGEEHM
O=C(/C=C/c1ccccc1[O-])c1nc2ccccc2[nH]1	ZINC000026462411	368860170	/nfs/dbraw/zinc/86/01/70/368860170.db2.gz	AWMBALQXJFUUMP-MDZDMXLPSA-N	-1	3	264.284	3.165	10	30		CGEEHM
COc1cc(C=N[O-])c(Br)cc1OC(C)C	ZINC000254387335	377705915	/nfs/dbraw/zinc/70/59/15/377705915.db2.gz	MOUBUDWFVMXHLL-UHFFFAOYSA-N	-1	3	288.141	3.053	10	30		CGEEHM
COc1ccc(/C=N/c2ccc([N+](=O)[O-])cc2C)cc1[O-]	ZINC000005379118	170091769	/nfs/dbraw/zinc/09/17/69/170091769.db2.gz	BQFUSTLOECCGDQ-CXUHLZMHSA-N	-1	3	286.287	3.368	10	30		CGEEHM
[O-]/N=C/c1cc(Br)ccc1Br	ZINC000083301841	295390458	/nfs/dbraw/zinc/39/04/58/295390458.db2.gz	GJVNPTCUYOMVCY-ONNFQVAWSA-N	-1	3	278.931	3.020	10	30		CGEEHM
CCC(C)(C)Oc1cccc(Cl)c1/C(N)=N/[O-]	ZINC000052907234	521362716	/nfs/dbraw/zinc/36/27/16/521362716.db2.gz	DAVUWHMQQVZNPM-UHFFFAOYSA-N	-1	3	256.733	3.002	10	30		CGEEHM
C/C=C/C[C@H](COCc1ccccc1)OC/C=N/[O-]	ZINC000145484088	346120325	/nfs/dbraw/zinc/12/03/25/346120325.db2.gz	SDFIKCQYVPRDBJ-VLPURKQUSA-N	-1	3	263.337	3.015	10	30		CGEEHM
N#CCc1c(C(F)(F)F)cc([O-])cc1C(F)(F)F	ZINC000514261324	346635850	/nfs/dbraw/zinc/63/58/50/346635850.db2.gz	HDVRDVFKRAUAKD-UHFFFAOYSA-N	-1	3	269.144	3.496	10	30		CGEEHM
N#CCc1c(OC(F)F)cc([O-])cc1C(F)(F)F	ZINC000575662151	377938705	/nfs/dbraw/zinc/93/87/05/377938705.db2.gz	RTHRQMSHATVETP-UHFFFAOYSA-N	-1	3	267.153	3.078	10	30		CGEEHM
CC(C)(C)c1csc([N-]c2ncccc2C#N)n1	ZINC000049500113	519088215	/nfs/dbraw/zinc/08/82/15/519088215.db2.gz	SMWPXOLIHQNVHU-UHFFFAOYSA-N	-1	3	258.350	3.451	10	30		CGEEHM
N#CCc1c(C(F)(F)F)ccc([O-])c1C(F)(F)F	ZINC000514261377	346635727	/nfs/dbraw/zinc/63/57/27/346635727.db2.gz	KXRDDQKUNUDDMP-UHFFFAOYSA-N	-1	3	269.144	3.496	10	30		CGEEHM
[O-]c1c(O)cccc1C=NN=c1[nH]c2ccccc2s1	ZINC000006672858	170225132	/nfs/dbraw/zinc/22/51/32/170225132.db2.gz	BZLOCLGAHBXJSK-OVCLIPMQSA-N	-1	3	285.328	3.154	10	30		CGEEHM
C/C(=N\[O-])c1cccc(OCc2ccc(C#N)cc2)c1	ZINC000019809365	170878202	/nfs/dbraw/zinc/87/82/02/170878202.db2.gz	BENJACBWGZCSRC-LDADJPATSA-N	-1	3	266.300	3.335	10	30		CGEEHM
COc1ccc(CC/N=C(\C)c2ccccc2[O-])cc1OC	ZINC000108410983	186215175	/nfs/dbraw/zinc/21/51/75/186215175.db2.gz	DTTZPBCSBHBWMD-CPNJWEJPSA-N	-1	3	299.370	3.461	10	30		CGEEHM
CCOC(=O)c1c([O-])cc(C#N)cc1SC(F)(F)F	ZINC000575392423	377900151	/nfs/dbraw/zinc/90/01/51/377900151.db2.gz	ZZKKNUFYSZHOQS-UHFFFAOYSA-N	-1	3	291.250	3.052	10	30		CGEEHM
N#CCc1c([O-])ccc(Br)c1C(F)F	ZINC000575683954	377958000	/nfs/dbraw/zinc/95/80/00/377958000.db2.gz	DPKSZRSRJPHGQQ-UHFFFAOYSA-N	-1	3	262.053	3.158	10	30		CGEEHM
N#CCc1cc(Br)c(OC(F)(F)F)cc1[O-]	ZINC000575689999	377965040	/nfs/dbraw/zinc/96/50/40/377965040.db2.gz	QVKPLPSEJXPHDW-UHFFFAOYSA-N	-1	3	296.042	3.119	10	30		CGEEHM
N#CCc1cc([O-])c(C(F)(F)F)c(OC(F)F)c1	ZINC000575661099	377937231	/nfs/dbraw/zinc/93/72/31/377937231.db2.gz	ABDSKWIPFLUZRS-UHFFFAOYSA-N	-1	3	267.153	3.078	10	30		CGEEHM
[O-]c1cc(C(F)(F)F)c(OC(F)(F)F)cc1F	ZINC000575703273	377977020	/nfs/dbraw/zinc/97/70/20/377977020.db2.gz	GEFZCKYHSILQCD-UHFFFAOYSA-N	-1	3	264.096	3.449	10	30		CGEEHM
CCC1CCC(NC(=O)c2cc(F)cc3nn[n-]c32)CC1	ZINC000328647323	542443826	/nfs/dbraw/zinc/44/38/26/542443826.db2.gz	HJTSDLOFWQUPJI-UHFFFAOYSA-N	-1	3	290.342	3.370	10	30		CGEEHM
CCC1CCC(NC(=O)c2cc(F)cc3[n-]nnc32)CC1	ZINC000328647323	542443828	/nfs/dbraw/zinc/44/38/28/542443828.db2.gz	HJTSDLOFWQUPJI-UHFFFAOYSA-N	-1	3	290.342	3.370	10	30		CGEEHM
CCC1CCC(NC(=O)c2cc(F)cc3n[n-]nc32)CC1	ZINC000328647323	542443831	/nfs/dbraw/zinc/44/38/31/542443831.db2.gz	HJTSDLOFWQUPJI-UHFFFAOYSA-N	-1	3	290.342	3.370	10	30		CGEEHM
COc1ccccc1C([O-])=C(C#N)c1cccs1	ZINC000052902879	524363187	/nfs/dbraw/zinc/36/31/87/524363187.db2.gz	OLPUZTVZDSFFPN-NSHDSACASA-N	-1	3	257.314	3.247	10	30		CGEEHM
C#CC(C)(C)Oc1cc2oc3ccccc3c([O-])c-2c(=O)c1	ZINC000140697248	346106012	/nfs/dbraw/zinc/10/60/12/346106012.db2.gz	TUIBVKKBAOIPBH-UHFFFAOYSA-N	-1	3	294.306	3.442	10	30		CGEEHM
C#CC(C)(C)Oc1cc([O-])c2c(c1)oc1ccccc1c2=O	ZINC000140697248	346106015	/nfs/dbraw/zinc/10/60/15/346106015.db2.gz	TUIBVKKBAOIPBH-UHFFFAOYSA-N	-1	3	294.306	3.442	10	30		CGEEHM
COc1cc(CC(=O)N[O-])cc(-c2ccc(Cl)cc2)c1	ZINC000033828881	368968474	/nfs/dbraw/zinc/96/84/74/368968474.db2.gz	ITQAGQKCDVASQC-UHFFFAOYSA-N	-1	3	291.734	3.064	10	30		CGEEHM
CCOC(=O)c1ccc(C#N)c(SC(F)(F)F)c1[O-]	ZINC000575392353	377900214	/nfs/dbraw/zinc/90/02/14/377900214.db2.gz	VBPLVZOKKRKMEF-UHFFFAOYSA-N	-1	3	291.250	3.052	10	30		CGEEHM
COc1ccc(/C=N/[O-])cc1OCc1cccc(F)c1	ZINC000253576824	328115944	/nfs/dbraw/zinc/11/59/44/328115944.db2.gz	WHZNMIQKFOYHHY-RQZCQDPDSA-N	-1	3	275.279	3.221	10	30		CGEEHM
CCCCOCCOc1cccc(/C(C)=N/[O-])c1	ZINC000049262492	520793777	/nfs/dbraw/zinc/79/37/77/520793777.db2.gz	UJOKAHSASZKMII-NTCAYCPXSA-N	-1	3	251.326	3.080	10	30		CGEEHM
CC(C)n1cc(C=N[N-]c2nc3ccccc3o2)cn1	ZINC000020827374	171273950	/nfs/dbraw/zinc/27/39/50/171273950.db2.gz	GDADTTADGLHUTK-VIZOYTHASA-N	-1	3	269.308	3.051	10	30		CGEEHM
CCC(C#N)=C([O-])c1cc(Br)ccc1F	ZINC000036916059	344945607	/nfs/dbraw/zinc/94/56/07/344945607.db2.gz	RRZMSJFBPSAXOI-SSDOTTSWSA-N	-1	3	270.101	3.321	10	30		CGEEHM
N#CCc1cc(OC(F)F)c([O-])c(C(F)(F)F)c1	ZINC000575662330	377938531	/nfs/dbraw/zinc/93/85/31/377938531.db2.gz	WWTNIJLDHUIUEH-UHFFFAOYSA-N	-1	3	267.153	3.078	10	30		CGEEHM
[O-]c1cc(F)c(C(F)(F)F)c(OC(F)(F)F)c1	ZINC000575704209	377976678	/nfs/dbraw/zinc/97/66/78/377976678.db2.gz	MFBHXCAVHKXRCG-UHFFFAOYSA-N	-1	3	264.096	3.449	10	30		CGEEHM
COc1ccc(/C=N/c2ccc([N+](=O)[O-])cc2)cc1[O-]	ZINC000004956715	170045461	/nfs/dbraw/zinc/04/54/61/170045461.db2.gz	IVJLREBOJYZYPH-OQLLNIDSSA-N	-1	3	272.260	3.060	10	30		CGEEHM
COc1ccccc1C([O-])=C(C#N)c1cccs1	ZINC000052902881	524362031	/nfs/dbraw/zinc/36/20/31/524362031.db2.gz	OLPUZTVZDSFFPN-LLVKDONJSA-N	-1	3	257.314	3.247	10	30		CGEEHM
N/C(=N/[O-])c1cc(Cl)ccc1OCCc1cccs1	ZINC000052860868	526801857	/nfs/dbraw/zinc/80/18/57/526801857.db2.gz	GTJQYVBDGCDGPY-UHFFFAOYSA-N	-1	3	296.779	3.118	10	30		CGEEHM
COc1ccc(/C(=N\[O-])c2ccccc2F)c(O)c1C	ZINC000146939365	346124977	/nfs/dbraw/zinc/12/49/77/346124977.db2.gz	LKWQLQOHVRAYBD-VKAVYKQESA-N	-1	3	275.279	3.075	10	30		CGEEHM
COc1cc(/C=C2/CC[C@@H](C)CC2=O)cc(OC)c1[O-]	ZINC000584601494	346689735	/nfs/dbraw/zinc/68/97/35/346689735.db2.gz	XLTDLPKFYWOVCO-VPMLRQHESA-N	-1	3	276.332	3.182	10	30		CGEEHM
N#CCc1cc([O-])cc(Br)c1OC(F)(F)F	ZINC000575690691	377965334	/nfs/dbraw/zinc/96/53/34/377965334.db2.gz	ALCHWDHSSXPGBV-UHFFFAOYSA-N	-1	3	296.042	3.119	10	30		CGEEHM
N#C[C@@H]1CCC[C@@H]1NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000061891393	623185780	/nfs/dbraw/zinc/18/57/80/623185780.db2.gz	CPZYEIVAQCFSLP-UFBFGSQYSA-N	-1	3	285.174	3.481	10	30		CGEEHM
COc1cc(C=N[O-])ccc1OCc1ccc(C)cc1	ZINC000251492358	640826977	/nfs/dbraw/zinc/82/69/77/640826977.db2.gz	STTXDXFTIULFQC-UHFFFAOYSA-N	-1	3	271.316	3.391	10	30		CGEEHM