smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C/C(=N\c1ccccc1[O-])c1cc2ccccc2oc1=O	ZINC000004701588	170001514	/nfs/dbraw/zinc/00/15/14/170001514.db2.gz	HPDJSPUVNWIIII-WOJGMQOQSA-N	-1	3	279.295	3.639	40	30		CHEBHM
COc1cc(Cl)cc(/C=N/c2ccc(F)cc2)c1[O-]	ZINC000006453648	170202489	/nfs/dbraw/zinc/20/24/89/170202489.db2.gz	VYDLXHJPDHSETI-CAOOACKPSA-N	-1	3	279.698	3.944	40	30		CHEBHM
[O-]/N=C(\c1ccccc1)c1ccc(Br)cc1	ZINC000100971210	567914277	/nfs/dbraw/zinc/91/42/77/567914277.db2.gz	VKYOCAGRKMNDPB-FYWRMAATSA-N	-1	3	276.133	3.676	40	30		CHEBHM
[O-]c1ccccc1/N=C\c1cccn1-c1ccccc1	ZINC000408856305	567933488	/nfs/dbraw/zinc/93/34/88/567933488.db2.gz	JXEHMZBDTCOFQM-AQTBWJFISA-N	-1	3	262.312	3.934	40	30		CHEBHM
CCCCOC(=O)c1ccc(-c2ccc(/C=N\[O-])o2)cc1	ZINC000409063263	567934026	/nfs/dbraw/zinc/93/40/26/567934026.db2.gz	JQHWADCDGJJEQU-BOPFTXTBSA-N	-1	3	287.315	3.712	40	30		CHEBHM
COc1cc(/C=N/[O-])cc(Cl)c1OCc1ccccc1	ZINC000011863637	570336230	/nfs/dbraw/zinc/33/62/30/570336230.db2.gz	HGONJZUSQOGJSE-RQZCQDPDSA-N	-1	3	291.734	3.736	40	30		CHEBHM
CC(=O)C(Cl)=N[N-]c1c(Cl)cccc1Cl	ZINC000101634686	570344814	/nfs/dbraw/zinc/34/48/14/570344814.db2.gz	IOAPYKRMOQOTCQ-NTEUORMPSA-N	-1	3	265.527	3.547	40	30		CHEBHM
[O-]/N=C1\c2ccccc2-c2ccc(Br)cc21	ZINC000101851328	185760202	/nfs/dbraw/zinc/76/02/02/185760202.db2.gz	ZGQUHZBHDADNOW-FYWRMAATSA-N	-1	3	274.117	3.656	40	30		CHEBHM
O=[N+]([O-])c1cc(/C=N\c2ccccc2[O-])ccc1Cl	ZINC000100484734	567913327	/nfs/dbraw/zinc/91/33/27/567913327.db2.gz	POXQVVGLROFJDD-NVNXTCNLSA-N	-1	3	276.679	3.704	40	30		CHEBHM
COc1ccc(CC/C(=N\[O-])c2ccccc2)cc1	ZINC000104032834	567915771	/nfs/dbraw/zinc/91/57/71/567915771.db2.gz	DTNGJVCRPGSBNR-WUKNDPDISA-N	-1	3	255.317	3.506	40	30		CHEBHM
C=CCc1cc(/C=N/[O-])cc(OC)c1OCc1ccccc1	ZINC000409067268	567934009	/nfs/dbraw/zinc/93/40/09/567934009.db2.gz	PZLSNOAKPRHSMH-XDHOZWIPSA-N	-1	3	297.354	3.811	40	30		CHEBHM
CCC(=NNc1ccc([N+](=O)[O-])cc1)c1ccc(C)cc1[O-]	ZINC000005482117	170104068	/nfs/dbraw/zinc/10/40/68/170104068.db2.gz	ZBZUIUSBQCLGOF-OBGWFSINSA-N	-1	3	299.330	3.835	40	30		CHEBHM
CC(=NOC(=O)Nc1ccccc1)c1cc(C)ccc1[O-]	ZINC000005541895	170110764	/nfs/dbraw/zinc/11/07/64/170110764.db2.gz	KOGUXKDKZAGVSL-LDADJPATSA-N	-1	3	284.315	3.673	40	30		CHEBHM
O=C(Nc1cccc(Cl)c1)O/N=C/c1ccccc1[O-]	ZINC000006414114	170199508	/nfs/dbraw/zinc/19/95/08/170199508.db2.gz	HQPNDRKVDMNAKJ-CXUHLZMHSA-N	-1	3	290.706	3.628	40	30		CHEBHM
Cc1cccc(N([O-])C(=O)/C=C\c2ccccc2)c1C	ZINC000077047805	177161924	/nfs/dbraw/zinc/16/19/24/177161924.db2.gz	SLIQYZYALKWWAT-QXMHVHEDSA-N	-1	3	267.328	3.739	40	30		CHEBHM
CCOc1cc(/C=N\[O-])ccc1OCc1ccccc1F	ZINC000013111955	260180640	/nfs/dbraw/zinc/18/06/40/260180640.db2.gz	JPHGKLHUCUXNGO-ZDLGFXPLSA-N	-1	3	289.306	3.612	40	30		CHEBHM
O=C(/C=C/c1ccccc1[O-])/C=C\c1ccccc1	ZINC000017197640	527634802	/nfs/dbraw/zinc/63/48/02/527634802.db2.gz	FDFRSFSHWUDRTJ-PJABCKPXSA-N	-1	3	250.297	3.688	40	30		CHEBHM
Cc1csc(N=NCc2c([O-])ccc3ccccc32)n1	ZINC000004338827	567857101	/nfs/dbraw/zinc/85/71/01/567857101.db2.gz	OQAYEPLAKSZYKN-LZYBPNLTSA-N	-1	3	283.356	3.756	40	30		CHEBHM
N#CC=C([O-])c1ccc(Br)c(C(F)(F)F)c1	ZINC000097447217	567910656	/nfs/dbraw/zinc/91/06/56/567910656.db2.gz	RFHQUEYMYNAQSE-UHFFFAOYSA-N	-1	3	292.054	3.564	40	30		CHEBHM
Cc1cc2c(c(Cl)c1)OC(=C\c1ccco1)/C2=N/[O-]	ZINC000104311984	567916500	/nfs/dbraw/zinc/91/65/00/567916500.db2.gz	RKXBYZLTAYVGCO-XJARGUHHSA-N	-1	3	275.691	3.853	40	30		CHEBHM
Cc1nn(-c2ccccc2)c(C)c1/N=C/c1ccccc1[O-]	ZINC000408973805	567933630	/nfs/dbraw/zinc/93/36/30/567933630.db2.gz	BVAZWUOBSBNRCH-XDHOZWIPSA-N	-1	3	291.354	3.945	40	30		CHEBHM
COc1ccc(C=C2CCC(C(=O)C(F)(F)F)=C2[O-])cc1	ZINC000409345395	230413488	/nfs/dbraw/zinc/41/34/88/230413488.db2.gz	IFFZERYLRAAIKN-TXXRRDSISA-N	-1	3	298.260	3.816	40	30		CHEBHM
Cc1nccn1[C@H](/C(=N\[O-])c1ccccc1)c1ccccc1	ZINC000104158496	230393458	/nfs/dbraw/zinc/39/34/58/230393458.db2.gz	HWPPYMYFINLSSO-CIJMEZBMSA-N	-1	3	291.354	3.659	40	30		CHEBHM
COc1cc(Cl)cc(C=NNc2ccccc2)c1[O-]	ZINC000006380663	170196354	/nfs/dbraw/zinc/19/63/54/170196354.db2.gz	LMZFVIJANSJRJV-CXUHLZMHSA-N	-1	3	276.723	3.500	40	30		CHEBHM
Nc1cc(Cl)cc2c1-c1ccc(Cl)cc1/C2=N/[O-]	ZINC000022241179	171381573	/nfs/dbraw/zinc/38/15/73/171381573.db2.gz	QEYORUQSHPRAST-LGMDPLHJSA-N	-1	3	279.126	3.783	40	30		CHEBHM
C=CCc1cc(/C=N/c2ccco2)cc(OCC)c1[O-]	ZINC000059249959	262387380	/nfs/dbraw/zinc/38/73/80/262387380.db2.gz	VZMDUALKHXQDFG-GZTJUZNOSA-N	-1	3	271.316	3.863	40	30		CHEBHM
CCCCCCCCOC(=O)c1ccc([O-])c(OC)c1	ZINC000001747312	520039318	/nfs/dbraw/zinc/03/93/18/520039318.db2.gz	CITHDNJMIRGMHS-UHFFFAOYSA-N	-1	3	280.364	3.918	40	30		CHEBHM
CCc1ccc([O-])c(/N=C/c2cccc([N+](=O)[O-])c2)c1	ZINC000000060471	566873459	/nfs/dbraw/zinc/87/34/59/566873459.db2.gz	NVPKJNWDRQXFEC-MHWRWJLKSA-N	-1	3	270.288	3.613	40	30		CHEBHM
[O-]c1ccc2ccccc2c1/C=N\N=C\c1ccccc1O	ZINC000016919837	567874277	/nfs/dbraw/zinc/87/42/77/567874277.db2.gz	PHRNPTKIRJLLDZ-ZZUVKVOASA-N	-1	3	290.322	3.704	40	30		CHEBHM
COc1cc(C)cc(C(=O)/C=C\c2ccccc2)c1[O-]	ZINC000017314473	567875736	/nfs/dbraw/zinc/87/57/36/567875736.db2.gz	YDTZQVNVCMFHSQ-HJWRWDBZSA-N	-1	3	268.312	3.605	40	30		CHEBHM
[O-]c1c(/C=N\Cc2cccnc2)ccc2ccccc21	ZINC000100248551	230391647	/nfs/dbraw/zinc/39/16/47/230391647.db2.gz	CJYMMLMUGXGVRJ-UNOMPAQXSA-N	-1	3	262.312	3.560	40	30		CHEBHM
[O-]c1ccccc1C=NNc1ccccc1C(F)(F)F	ZINC000004935086	170042383	/nfs/dbraw/zinc/04/23/83/170042383.db2.gz	KAUXXEODCKEYGP-GIJQJNRQSA-N	-1	3	280.249	3.857	40	30		CHEBHM
Cc1ccc(C=N[N-]c2nc(-c3ccccc3)cs2)o1	ZINC000023099189	262352946	/nfs/dbraw/zinc/35/29/46/262352946.db2.gz	BEJVSOVRACQCKK-CXUHLZMHSA-N	-1	3	283.356	3.579	40	30		CHEBHM
C/C(=N\[O-])c1ccc2c3c(ccc2Br)CCc31	ZINC000016953595	567874258	/nfs/dbraw/zinc/87/42/58/567874258.db2.gz	XLJWLASWONJHLK-LZYBPNLTSA-N	-1	3	290.160	3.899	40	30		CHEBHM
CCCC/N=C(/c1ccc(O)cc1)c1ccc(OC)cc1[O-]	ZINC000017174815	567875435	/nfs/dbraw/zinc/87/54/35/567875435.db2.gz	NYIZUIYLUUGKOB-HNENSFHCSA-N	-1	3	299.370	3.744	40	30		CHEBHM
COc1cc(/C=N\[O-])ccc1OCc1ccccc1Cl	ZINC000018251319	567876949	/nfs/dbraw/zinc/87/69/49/567876949.db2.gz	KRTDFHGFQAZYDV-MFOYZWKCSA-N	-1	3	291.734	3.736	40	30		CHEBHM
CCOc1ccccc1C=N[N-]c1nc2ccccc2o1	ZINC000031601648	567885090	/nfs/dbraw/zinc/88/50/90/567885090.db2.gz	UWUTXQZEELIURI-BOPFTXTBSA-N	-1	3	281.315	3.673	40	30		CHEBHM
CCCCCCc1cc(/C(CC)=N\[O-])c(O)cc1O	ZINC000005418466	170096687	/nfs/dbraw/zinc/09/66/87/170096687.db2.gz	PHEXMQSLWYWNRM-SSZFMOIBSA-N	-1	3	265.353	3.809	40	30		CHEBHM
Cc1cc([O-])c(/C(Cc2ccccc2)=N/O)cc1Cl	ZINC000005538749	170110355	/nfs/dbraw/zinc/11/03/55/170110355.db2.gz	IGIRWDVHTYPJQQ-SAPNQHFASA-N	-1	3	275.735	3.775	40	30		CHEBHM
Cc1ccc(C(=O)/C=C\c2ccccc2[O-])c(C)c1	ZINC000005722955	170133187	/nfs/dbraw/zinc/13/31/87/170133187.db2.gz	UURALUILAZJMAY-NTMALXAHSA-N	-1	3	252.313	3.905	40	30		CHEBHM
[O-]/N=C/c1cccc(-c2nc3ccccc3s2)c1	ZINC000041127491	566827614	/nfs/dbraw/zinc/82/76/14/566827614.db2.gz	ABADWVMEBCNBPK-OQLLNIDSSA-N	-1	3	254.314	3.771	40	30		CHEBHM
Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1cccc(C)c1	ZINC000408739727	567861012	/nfs/dbraw/zinc/86/10/12/567861012.db2.gz	DXYYSBVGZWDEOZ-DAQNXSASSA-N	-1	3	291.354	3.736	40	30		CHEBHM
Cc1nccn1[C@@H](/C(=N/[O-])c1ccccc1)c1ccccc1	ZINC000017022409	567874425	/nfs/dbraw/zinc/87/44/25/567874425.db2.gz	HWPPYMYFINLSSO-GMQRBVGNSA-N	-1	3	291.354	3.659	40	30		CHEBHM
CCCc1noc2c1/C(=N\[O-])C[C@@H](c1ccccc1)C2	ZINC000100551854	567936787	/nfs/dbraw/zinc/93/67/87/567936787.db2.gz	AXJATIZSPNEBAD-OFWFEXPASA-N	-1	3	270.332	3.535	40	30		CHEBHM
CC(C)c1ccc(NN=C2C(=O)[N-]c3c2cccc3F)cc1	ZINC000223759958	567950817	/nfs/dbraw/zinc/95/08/17/567950817.db2.gz	UYERSUIYXNMVIX-UHFFFAOYSA-N	-1	3	297.333	3.717	40	30		CHEBHM
[O-]/N=C\c1cccc(OCc2ccc(Cl)cc2)c1	ZINC000011896172	570336315	/nfs/dbraw/zinc/33/63/15/570336315.db2.gz	OEBBNAPSLHRVLQ-SXGWCWSVSA-N	-1	3	261.708	3.727	40	30		CHEBHM
Cc1cccc(C(=O)Oc2c(C)cc(/C=N\[O-])cc2C)c1	ZINC000256050758	1120430803	/nfs/dbraw/zinc/43/08/03/1120430803.db2.gz	GJEMCJKICBRXBL-ZDLGFXPLSA-N	-1	3	283.327	3.639	40	30		CHEBHM
Cc1ccc(C(=O)Oc2c(C)cc(/C=N\[O-])cc2C)cc1	ZINC000256052825	1120430976	/nfs/dbraw/zinc/43/09/76/1120430976.db2.gz	OVFBKGURILOMRJ-ZDLGFXPLSA-N	-1	3	283.327	3.639	40	30		CHEBHM
[O-]c1ccccc1/C=N\N=C/c1ccc(Cl)s1	ZINC000016919646	567874200	/nfs/dbraw/zinc/87/42/00/567874200.db2.gz	WIHDQFSDRGDNHJ-UOUVAZQYSA-N	-1	3	264.737	3.560	40	30		CHEBHM
Cc1ccc(NC(=O)C(=O)C=C([O-])c2ccc(C)cc2)cc1	ZINC000100297020	567912647	/nfs/dbraw/zinc/91/26/47/567912647.db2.gz	ASAKZGKLTCVGEL-BOPFTXTBSA-N	-1	3	295.338	3.567	40	30		CHEBHM
[O-]/N=C/c1ccc(-c2nc3ccccc3s2)cc1	ZINC000041127074	1121429395	/nfs/dbraw/zinc/42/93/95/1121429395.db2.gz	LBYLXTJAPGZVOP-OQLLNIDSSA-N	-1	3	254.314	3.771	40	30		CHEBHM
Cc1cc([O-])c(/C(=N/O)c2ccccc2)cc1Cl	ZINC000005538755	170110550	/nfs/dbraw/zinc/11/05/50/170110550.db2.gz	SNDZFTQXOFSYMM-JQIJEIRASA-N	-1	3	261.708	3.581	40	30		CHEBHM
C=CCc1cccc(/C=N\c2ccccc2[O-])c1O	ZINC000003122936	567851719	/nfs/dbraw/zinc/85/17/19/567851719.db2.gz	YFCZBGFJBGKBMI-BOPFTXTBSA-N	-1	3	253.301	3.577	40	30		CHEBHM
C=CCc1cc(/C=N\c2ccccc2[O-])cc(OCC)c1O	ZINC000408827983	567933176	/nfs/dbraw/zinc/93/31/76/567933176.db2.gz	VMNWVNJIFRIJDA-UNOMPAQXSA-N	-1	3	297.354	3.976	40	30		CHEBHM
O=C1OC(c2ccccc2)N=C1C=Nc1ccccc1[O-]	ZINC000100702118	567936907	/nfs/dbraw/zinc/93/69/07/567936907.db2.gz	IRPCEGJWSOWIST-YVLHZVERSA-N	-1	3	280.283	3.503	40	30		CHEBHM
N#Cc1ccccc1COc1ccc(/C=N/[O-])cc1Cl	ZINC000006528698	570381436	/nfs/dbraw/zinc/38/14/36/570381436.db2.gz	LHEIVXWBBFZWBA-GIJQJNRQSA-N	-1	3	286.718	3.599	40	30		CHEBHM
[O-]/N=C/c1ccc(OCc2cccc(Cl)c2)cc1	ZINC000103857683	230393292	/nfs/dbraw/zinc/39/32/92/230393292.db2.gz	FKAYCSOFVAIRBY-CXUHLZMHSA-N	-1	3	261.708	3.727	40	30		CHEBHM
C(=N[N-]c1nc2ccccc2o1)c1c[nH]c2ccccc12	ZINC000004863314	170032043	/nfs/dbraw/zinc/03/20/43/170032043.db2.gz	HUVARDVZCXUVNV-VCHYOVAHSA-N	-1	3	276.299	3.755	40	30		CHEBHM
Nc1cc(Cl)cc2c1-c1ccc(Cl)cc1/C2=N\[O-]	ZINC000104081816	567915871	/nfs/dbraw/zinc/91/58/71/567915871.db2.gz	QEYORUQSHPRAST-GHRIWEEISA-N	-1	3	279.126	3.783	40	30		CHEBHM
COc1cc2cccnc2c(/N=C/c2ccc([O-])cc2)c1	ZINC000104118180	567915989	/nfs/dbraw/zinc/91/59/89/567915989.db2.gz	OIHCRKPXGGFGEI-YBFXNURJSA-N	-1	3	278.311	3.700	40	30		CHEBHM
CC(C)N(/N=C/c1ccccc1[O-])c1ccc([N+](=O)[O-])cc1	ZINC000408894541	567933533	/nfs/dbraw/zinc/93/35/33/567933533.db2.gz	RBRWBAMFMFXUDP-GZTJUZNOSA-N	-1	3	299.330	3.549	40	30		CHEBHM
CCCc1noc2c1/C(=N\[O-])C[C@H](c1ccccc1)C2	ZINC000100551858	567936820	/nfs/dbraw/zinc/93/68/20/567936820.db2.gz	AXJATIZSPNEBAD-SEQUMDBASA-N	-1	3	270.332	3.535	40	30		CHEBHM
CCc1ccc(C(=O)Oc2c(C)cc(/C=N\[O-])cc2C)cc1	ZINC000256054725	1121719173	/nfs/dbraw/zinc/71/91/73/1121719173.db2.gz	XMSIIFDINQZNKP-ODLFYWEKSA-N	-1	3	297.354	3.893	40	30		CHEBHM
COc1cc(C)cc(C(=O)/C=C/c2ccccc2)c1[O-]	ZINC000004726192	170006410	/nfs/dbraw/zinc/00/64/10/170006410.db2.gz	YDTZQVNVCMFHSQ-CMDGGOBGSA-N	-1	3	268.312	3.605	40	30		CHEBHM
Cc1ccc(C=NN=c2[n-]c(-c3ccccc3)c(C)s2)o1	ZINC000059193780	262387002	/nfs/dbraw/zinc/38/70/02/262387002.db2.gz	OVUJMNVQPXNRHK-LICLKQGHSA-N	-1	3	297.383	3.888	40	30		CHEBHM
[O-]c1ccccc1/C=N\N=C\C=C/c1ccccc1	ZINC000016919574	567874144	/nfs/dbraw/zinc/87/41/44/567874144.db2.gz	BFTRWEAEANFJBK-OGUQYHSGSA-N	-1	3	250.301	3.510	40	30		CHEBHM
Cc1cc2c(c(Cl)c1)OC(=C\c1ccco1)/C2=N\[O-]	ZINC000018021925	567875987	/nfs/dbraw/zinc/87/59/87/567875987.db2.gz	RKXBYZLTAYVGCO-HYHTVDNVSA-N	-1	3	275.691	3.853	40	30		CHEBHM
Cc1cc(/C=N/c2ccccc2)c([O-])c2ncccc12	ZINC000104080096	567915905	/nfs/dbraw/zinc/91/59/05/567915905.db2.gz	HKOWHZYGTVWGNO-YBFXNURJSA-N	-1	3	262.312	3.999	40	30		CHEBHM
Cc1cc(/C=N\c2ccccc2[O-])c(C)n1-c1ccccn1	ZINC000409235093	567934892	/nfs/dbraw/zinc/93/48/92/567934892.db2.gz	YNZFPBKHQNBIBY-NDENLUEZSA-N	-1	3	291.354	3.945	40	30		CHEBHM
[O-]c1c(O)cccc1C=NNc1ccc2ccccc2c1	ZINC000004985271	170048880	/nfs/dbraw/zinc/04/88/80/170048880.db2.gz	ZSYQGOICAHDQCK-WOJGMQOQSA-N	-1	3	278.311	3.697	40	30		CHEBHM
Cc1ccc(O)c(/N=C/c2cc(Cl)ccc2[O-])c1	ZINC000005362597	170089716	/nfs/dbraw/zinc/08/97/16/170089716.db2.gz	DBFFVESLMFUPBH-LZYBPNLTSA-N	-1	3	261.708	3.810	40	30		CHEBHM
[O-]/N=C\c1ccc(OCc2ccccc2)c(Cl)c1	ZINC000006927460	170256118	/nfs/dbraw/zinc/25/61/18/170256118.db2.gz	DZNFKQMOUAEDRF-SXGWCWSVSA-N	-1	3	261.708	3.727	40	30		CHEBHM
Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1cccc(C)c1	ZINC000408739728	567860958	/nfs/dbraw/zinc/86/09/58/567860958.db2.gz	DXYYSBVGZWDEOZ-MIQLPHMESA-N	-1	3	291.354	3.736	40	30		CHEBHM
CN(C)c1ccc(/C=C\C=N/N=C\c2ccccc2[O-])cc1	ZINC000016919864	567874017	/nfs/dbraw/zinc/87/40/17/567874017.db2.gz	WNHBKZGOPMDTJB-BQISKGDUSA-N	-1	3	293.370	3.576	40	30		CHEBHM
[O-]c1ccc2ccccc2c1/C=N/N=C\c1ccccc1O	ZINC000016919839	567874289	/nfs/dbraw/zinc/87/42/89/567874289.db2.gz	PHRNPTKIRJLLDZ-UHWBUFEVSA-N	-1	3	290.322	3.704	40	30		CHEBHM
Cc1cc(/C=N\c2ccccc2)c([O-])c2ncccc12	ZINC000017419050	567875775	/nfs/dbraw/zinc/87/57/75/567875775.db2.gz	HKOWHZYGTVWGNO-ODLFYWEKSA-N	-1	3	262.312	3.999	40	30		CHEBHM
O=C(/C=C\c1ccccc1)/C=C\c1ccccc1[O-]	ZINC000031830040	567885263	/nfs/dbraw/zinc/88/52/63/567885263.db2.gz	FDFRSFSHWUDRTJ-MIMPSMLTSA-N	-1	3	250.297	3.688	40	30		CHEBHM
C/C(=N\[O-])c1ccc(Oc2ccc(/C(C)=N/O)cc2)cc1	ZINC000104356648	567916701	/nfs/dbraw/zinc/91/67/01/567916701.db2.gz	XVOIJUAHDHHAAA-JYFOCSDGSA-N	-1	3	284.315	3.875	40	30		CHEBHM
[O-]N=Cc1ccc2c(ccn2Cc2cccc(F)c2)c1	ZINC000409243738	567935129	/nfs/dbraw/zinc/93/51/29/567935129.db2.gz	XXZMEGQWTBEBAO-UHFFFAOYSA-N	-1	3	268.291	3.637	40	30		CHEBHM
Cc1oc(/N=C/c2cc(C)ccc2[O-])c(C#N)c1C	ZINC000000561451	567936630	/nfs/dbraw/zinc/93/66/30/567936630.db2.gz	QPWXFRQPJOKUFK-CAOOACKPSA-N	-1	3	254.289	3.533	40	30		CHEBHM
N#Cc1c2c(sc1/N=C/c1ccc([O-])cc1)CCCC2	ZINC000000275826	570378564	/nfs/dbraw/zinc/37/85/64/570378564.db2.gz	GCSVJAUMTQBLEX-VCHYOVAHSA-N	-1	3	282.368	3.955	40	30		CHEBHM
COc1cccc(/C=N\c2ccccc2[O-])c1OC(C)C	ZINC000409017863	1119858622	/nfs/dbraw/zinc/85/86/22/1119858622.db2.gz	VZOJPTUYHKFEBP-WQRHYEAKSA-N	-1	3	285.343	3.939	40	30		CHEBHM
[O-]/N=C\c1ccc(OCc2ccccc2F)c(Cl)c1	ZINC000006926921	170256184	/nfs/dbraw/zinc/25/61/84/170256184.db2.gz	XSTRSHVVFZMLFQ-IUXPMGMMSA-N	-1	3	279.698	3.866	40	30		CHEBHM
N#Cc1c([N-]C(=O)Nc2ccccc2)oc2c1CCCC2	ZINC000008816538	170356570	/nfs/dbraw/zinc/35/65/70/170356570.db2.gz	SRKPIFOYHPRQLO-UHFFFAOYSA-N	-1	3	281.315	3.674	40	30		CHEBHM
[O-]c1ccc2ccccc2c1/C=N/N=C\c1ccco1	ZINC000016919186	567874197	/nfs/dbraw/zinc/87/41/97/567874197.db2.gz	PXAYNARPDOREBP-ICFDZUSXSA-N	-1	3	264.284	3.591	40	30		CHEBHM
N#CC=C([O-])c1ccc(Br)cc1C(F)(F)F	ZINC000098211546	567911632	/nfs/dbraw/zinc/91/16/32/567911632.db2.gz	DDOVNYCEYLHMMW-UHFFFAOYSA-N	-1	3	292.054	3.564	40	30		CHEBHM
O=[N+]([O-])c1ccc(Cl)c(/C=N\c2ccccc2[O-])c1	ZINC000101417808	567937373	/nfs/dbraw/zinc/93/73/73/567937373.db2.gz	BBTQEUFQFVMZBQ-NVNXTCNLSA-N	-1	3	276.679	3.704	40	30		CHEBHM
CC/C(=N\OC(=O)c1ccc(C)cc1)c1ccccc1[O-]	ZINC000055145429	570241092	/nfs/dbraw/zinc/24/10/92/570241092.db2.gz	IAZPUJSKWPEDHF-OBGWFSINSA-N	-1	3	283.327	3.672	40	30		CHEBHM
[O-]c1ccccc1/C=N\N=C\C=C\c1ccccc1	ZINC000095571308	185010255	/nfs/dbraw/zinc/01/02/55/185010255.db2.gz	BFTRWEAEANFJBK-AVQQQRLJSA-N	-1	3	250.301	3.510	40	30		CHEBHM
O=C(/C=C\c1ccccc1[O-])c1ccccc1Cl	ZINC000008653329	170343999	/nfs/dbraw/zinc/34/39/99/170343999.db2.gz	GJHOECHVMHCVTK-KTKRTIGZSA-N	-1	3	258.704	3.942	40	30		CHEBHM
Cc1c(/C=N/c2cccc([O-])c2)c2ccccc2n1C	ZINC000059250115	262387219	/nfs/dbraw/zinc/38/72/19/262387219.db2.gz	VBGRBGGLOJGKJQ-WOJGMQOQSA-N	-1	3	264.328	3.943	40	30		CHEBHM
O=C(C1=C([O-])C(=Cc2cccc(O)c2)CC1)C(F)(F)F	ZINC000106131862	567095823	/nfs/dbraw/zinc/09/58/23/567095823.db2.gz	BMEZWDYYMDUYCW-ZOWFANGCSA-N	-1	3	284.233	3.513	40	30		CHEBHM
COc1ccccc1/C=C/C(=O)/C=C/c1ccccc1[O-]	ZINC000001653723	567840472	/nfs/dbraw/zinc/84/04/72/567840472.db2.gz	RNDFIDUOVAGOQF-DCIPZJNNSA-N	-1	3	280.323	3.697	40	30		CHEBHM
COc1cc(/C=N/[O-])ccc1OCc1cccc(Cl)c1	ZINC000011951948	533482897	/nfs/dbraw/zinc/48/28/97/533482897.db2.gz	SBJBDYZMARFSFE-RQZCQDPDSA-N	-1	3	291.734	3.736	40	30		CHEBHM
CC(=O)Nc1ccc(Cl)cc1/C(=N/[O-])c1ccccc1	ZINC000005378523	170091633	/nfs/dbraw/zinc/09/16/33/170091633.db2.gz	JOHSOJVZULJSBT-OBGWFSINSA-N	-1	3	288.734	3.525	40	30		CHEBHM
CN(C)c1ccc(/C=C/C=N\N=C/c2ccccc2[O-])cc1	ZINC000008627682	170343228	/nfs/dbraw/zinc/34/32/28/170343228.db2.gz	WNHBKZGOPMDTJB-WRNNECGRSA-N	-1	3	293.370	3.576	40	30		CHEBHM
Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1ccc(F)cc1	ZINC000408741622	567861201	/nfs/dbraw/zinc/86/12/01/567861201.db2.gz	RBWXVXOGZBKXEJ-YDDPGSGASA-N	-1	3	295.317	3.567	40	30		CHEBHM
[O-]c1ccc(Cl)cc1/C=N\c1ccc2c(c1)OCO2	ZINC000102047645	567915023	/nfs/dbraw/zinc/91/50/23/567915023.db2.gz	JQWZFDDINFEXQF-APSNUPSMSA-N	-1	3	275.691	3.525	40	30		CHEBHM
COc1cc(C=NNc2ccccc2)cc(Cl)c1[O-]	ZINC000058625264	567956278	/nfs/dbraw/zinc/95/62/78/567956278.db2.gz	DBCKGPJVHXJVIV-CXUHLZMHSA-N	-1	3	276.723	3.500	40	30		CHEBHM
[O-]c1ccccc1/N=C\c1ccc(N2CCCC2)cc1	ZINC000101749935	1119965780	/nfs/dbraw/zinc/96/57/80/1119965780.db2.gz	XVXUUDORRGUCQI-AQTBWJFISA-N	-1	3	266.344	3.743	40	30		CHEBHM
[O-]/N=C\c1ccc(OCc2ccc(F)cc2Cl)cc1	ZINC000216807041	130758023	/nfs/dbraw/zinc/75/80/23/130758023.db2.gz	SDFXUIIPIRCCJY-IUXPMGMMSA-N	-1	3	279.698	3.866	40	30		CHEBHM
Cc1cc(NN=Cc2ccccc2[O-])c2ccccc2n1	ZINC000005006925	170054107	/nfs/dbraw/zinc/05/41/07/170054107.db2.gz	SEPMVHIOIBJXRJ-WOJGMQOQSA-N	-1	3	277.327	3.695	40	30		CHEBHM
CC(=NNc1ccc2ccccc2n1)c1ccccc1[O-]	ZINC000013099138	170531463	/nfs/dbraw/zinc/53/14/63/170531463.db2.gz	IZHPDVLGPQNUBP-XDHOZWIPSA-N	-1	3	277.327	3.777	40	30	in-vitro	CHEBHM
Cc1cc2c(c(Cl)c1)OC(=C/c1ccco1)/C2=N/[O-]	ZINC000104311989	567916516	/nfs/dbraw/zinc/91/65/16/567916516.db2.gz	RKXBYZLTAYVGCO-WTHIONNESA-N	-1	3	275.691	3.853	40	30		CHEBHM
O=[N+]([O-])c1cc(/C=N/c2cccc([O-])c2)ccc1Cl	ZINC000003195694	567937970	/nfs/dbraw/zinc/93/79/70/567937970.db2.gz	LKCNLSCFGKCRAH-OVCLIPMQSA-N	-1	3	276.679	3.704	40	30		CHEBHM
CCOc1ccc(C=NNc2ccc(F)cc2F)c([O-])c1	ZINC000004925083	170041754	/nfs/dbraw/zinc/04/17/54/170041754.db2.gz	UYDSTCKSGUMAOD-GIJQJNRQSA-N	-1	3	292.285	3.515	40	30		CHEBHM
CCOc1cc(/C=N\[O-])ccc1OCc1cccc(F)c1	ZINC000100250353	566878065	/nfs/dbraw/zinc/87/80/65/566878065.db2.gz	OABILWIWJAJUCM-ZDLGFXPLSA-N	-1	3	289.306	3.612	40	30		CHEBHM
CCCCCCCCS(=O)(=O)[N-]c1cc(C)ccc1O	ZINC000100921913	567914034	/nfs/dbraw/zinc/91/40/34/567914034.db2.gz	OXDAUYXRYBDOLK-UHFFFAOYSA-N	-1	3	299.436	3.803	40	30		CHEBHM
C/C(=N/[O-])c1ccc(Oc2ccc(/C(C)=N\O)cc2)cc1	ZINC000104356643	567916753	/nfs/dbraw/zinc/91/67/53/567916753.db2.gz	XVOIJUAHDHHAAA-WHYMJUELSA-N	-1	3	284.315	3.875	40	30		CHEBHM
Cc1ccc2[nH]c(=NN=Cc3ccccc3[O-])sc2c1	ZINC000226096247	570268926	/nfs/dbraw/zinc/26/89/26/570268926.db2.gz	SSVKBJHKIVFPDJ-CXUHLZMHSA-N	-1	3	283.356	3.756	40	30		CHEBHM
COC(=O)c1ccccc1/N=C\c1cc(Cl)ccc1[O-]	ZINC000102928949	1125429064	/nfs/dbraw/zinc/42/90/64/1125429064.db2.gz	URJYPMDUSRVBJY-MFOYZWKCSA-N	-1	3	289.718	3.583	40	30		CHEBHM
CCOc1ccccc1C=N[N-]c1nc2ccccc2o1	ZINC000004966003	170046347	/nfs/dbraw/zinc/04/63/47/170046347.db2.gz	UWUTXQZEELIURI-GZTJUZNOSA-N	-1	3	281.315	3.673	40	30		CHEBHM
CCCCCCOc1ccc(/C(C)=N/[O-])c(O)c1	ZINC000005418183	170096681	/nfs/dbraw/zinc/09/66/81/170096681.db2.gz	JIKHZDYOCIZVJX-RVDMUPIBSA-N	-1	3	251.326	3.550	40	30		CHEBHM
CCCC(=O)Nc1ccc(/N=C/c2ccccc2[O-])cc1	ZINC000006755937	170240663	/nfs/dbraw/zinc/24/06/63/170240663.db2.gz	MCVANKHSSTZYKU-LDADJPATSA-N	-1	3	282.343	3.881	40	30		CHEBHM
[O-]c1ccccc1/C=N\N=C/C=C/c1ccccc1	ZINC000008637424	170343548	/nfs/dbraw/zinc/34/35/48/170343548.db2.gz	BFTRWEAEANFJBK-YXOUXCASSA-N	-1	3	250.301	3.510	40	30		CHEBHM
[O-]/N=C\c1cc(Cl)c(OCc2cccnc2)c(Cl)c1	ZINC000216846930	262341246	/nfs/dbraw/zinc/34/12/46/262341246.db2.gz	PTXUKMCQNMTJIC-IDUWFGFVSA-N	-1	3	297.141	3.776	40	30		CHEBHM
[O-]/N=C\c1ccc(OCc2cccc(F)c2)c(Cl)c1	ZINC000216811308	566929589	/nfs/dbraw/zinc/92/95/89/566929589.db2.gz	WMVYARBWBPYLGX-IUXPMGMMSA-N	-1	3	279.698	3.866	40	30		CHEBHM
[O-]/N=C\c1ccc(OCc2ccc(F)cc2)c(Cl)c1	ZINC000216811482	566931165	/nfs/dbraw/zinc/93/11/65/566931165.db2.gz	WDCWROLEYRAMIH-IUXPMGMMSA-N	-1	3	279.698	3.866	40	30		CHEBHM
[O-]/N=C\c1ccc2nc(-c3ccccc3)sc2c1	ZINC000045923563	566977424	/nfs/dbraw/zinc/97/74/24/566977424.db2.gz	PTMUYLSTLGORIH-DHDCSXOGSA-N	-1	3	254.314	3.771	40	30		CHEBHM
[O-]c1ccc2ccccc2c1/C=N/N=C/c1ccco1	ZINC000001709322	567842142	/nfs/dbraw/zinc/84/21/42/567842142.db2.gz	PXAYNARPDOREBP-ODPUSEOTSA-N	-1	3	264.284	3.591	40	30		CHEBHM
[O-]c1ccc(Br)cc1/C=N/C1CCCCC1	ZINC000017004763	567911455	/nfs/dbraw/zinc/91/14/55/567911455.db2.gz	PFZHELSOOJVETI-OQLLNIDSSA-N	-1	3	282.181	3.906	40	30		CHEBHM
CC(=O)N([O-])c1ccc(-c2cc3ccccc3[nH]2)cc1	ZINC000001703978	567924369	/nfs/dbraw/zinc/92/43/69/567924369.db2.gz	AMBVBLSOZSVCJH-UHFFFAOYSA-N	-1	3	266.300	3.577	40	30		CHEBHM
COc1ccc(CC/C(=N/[O-])c2ccccc2)cc1	ZINC000016890874	170713923	/nfs/dbraw/zinc/71/39/23/170713923.db2.gz	DTNGJVCRPGSBNR-MSUUIHNZSA-N	-1	3	255.317	3.506	40	30		CHEBHM
[O-]/N=C/c1ccc(-c2nc3ccc(F)cc3s2)cc1	ZINC000045923149	566976960	/nfs/dbraw/zinc/97/69/60/566976960.db2.gz	PMUAHJABISUVBO-LZYBPNLTSA-N	-1	3	272.304	3.911	40	30		CHEBHM
[O-]c1ccccc1/C=N\N=C\c1ccc(Cl)s1	ZINC000016919651	567874166	/nfs/dbraw/zinc/87/41/66/567874166.db2.gz	WIHDQFSDRGDNHJ-UFSWOOAPSA-N	-1	3	264.737	3.560	40	30		CHEBHM
CCCCCCCCCNC(=O)c1ccccc1[O-]	ZINC000100930254	567914191	/nfs/dbraw/zinc/91/41/91/567914191.db2.gz	IUTZJOFEQKWKRM-UHFFFAOYSA-N	-1	3	263.381	3.873	40	30		CHEBHM
CCOC(=O)C(Cl)=N[N-]c1ccc(Cl)cc1Cl	ZINC000008383126	170334173	/nfs/dbraw/zinc/33/41/73/170334173.db2.gz	MTWAKBYVMJYUSU-OQLLNIDSSA-N	-1	3	295.553	3.521	40	30		CHEBHM
CCCCCCC/C(=N\[O-])c1ccc(OC)cc1O	ZINC000100925720	567913991	/nfs/dbraw/zinc/91/39/91/567913991.db2.gz	LKNJWWRJHNTOAA-JQIJEIRASA-N	-1	3	265.353	3.940	40	30		CHEBHM
CCCCCCC/C(=N\O)c1ccc(OC)cc1[O-]	ZINC000100925720	567913992	/nfs/dbraw/zinc/91/39/92/567913992.db2.gz	LKNJWWRJHNTOAA-JQIJEIRASA-N	-1	3	265.353	3.940	40	30		CHEBHM
O=[N+]([O-])c1ccc(Cl)c(/C=N\c2cccc([O-])c2)c1	ZINC000107972773	567095400	/nfs/dbraw/zinc/09/54/00/567095400.db2.gz	OWDNKOVJKWLHOK-NVNXTCNLSA-N	-1	3	276.679	3.704	40	30		CHEBHM
COc1ccccc1/C=C\C(=O)/C=C/c1ccccc1[O-]	ZINC000013152255	567865385	/nfs/dbraw/zinc/86/53/85/567865385.db2.gz	RNDFIDUOVAGOQF-FAEGWCMCSA-N	-1	3	280.323	3.697	40	30		CHEBHM
Cc1nccn1[C@H](/C(=N/[O-])c1ccccc1)c1ccccc1	ZINC000017022412	567874455	/nfs/dbraw/zinc/87/44/55/567874455.db2.gz	HWPPYMYFINLSSO-ONZPZFSWSA-N	-1	3	291.354	3.659	40	30		CHEBHM
[O-]c1ccc(Br)cc1/C=N\C1CCCCC1	ZINC000100236874	567912509	/nfs/dbraw/zinc/91/25/09/567912509.db2.gz	PFZHELSOOJVETI-DHDCSXOGSA-N	-1	3	282.181	3.906	40	30		CHEBHM
Cc1ccc(C(C)C)c(O)c1NN=Cc1ccccc1[O-]	ZINC000104043844	533635824	/nfs/dbraw/zinc/63/58/24/533635824.db2.gz	JCCSZGWZTXUPLC-ZDLGFXPLSA-N	-1	3	284.359	3.976	40	30		CHEBHM
[O-]c1ccccc1/C=N/N=C/c1ccc(Cl)s1	ZINC000001709463	567842100	/nfs/dbraw/zinc/84/21/00/567842100.db2.gz	WIHDQFSDRGDNHJ-IROCBMIISA-N	-1	3	264.737	3.560	40	30		CHEBHM
CCCCCCCCCOC(=O)c1cc(O)c([O-])c(O)c1	ZINC000002565997	567848125	/nfs/dbraw/zinc/84/81/25/567848125.db2.gz	KSNJEADFLJNDCP-UHFFFAOYSA-N	-1	3	296.363	3.711	40	30		CHEBHM
[O-]c1ccc2ccccc2c1C=NNc1ccccc1	ZINC000017311577	567875786	/nfs/dbraw/zinc/87/57/86/567875786.db2.gz	WWIIENGSINYUES-PDGQHHTCSA-N	-1	3	262.312	3.991	40	30		CHEBHM
C/C(=N\Sc1cccc([N+](=O)[O-])c1)c1ccccc1[O-]	ZINC000033849275	567887140	/nfs/dbraw/zinc/88/71/40/567887140.db2.gz	LCYMAHOJMZIQHP-XNTDXEJSSA-N	-1	3	288.328	3.817	40	30		CHEBHM
Cc1nccn1[C@@H](/C(=N\[O-])c1ccccc1)c1ccccc1	ZINC000104158501	567916228	/nfs/dbraw/zinc/91/62/28/567916228.db2.gz	HWPPYMYFINLSSO-FBKQIBBUSA-N	-1	3	291.354	3.659	40	30		CHEBHM
COc1ccc(-n2cccc2/C=N/c2ccc([O-])cc2)cc1	ZINC000408846787	567933245	/nfs/dbraw/zinc/93/32/45/567933245.db2.gz	RZQLRYFXRHIABM-CPNJWEJPSA-N	-1	3	292.338	3.942	40	30		CHEBHM
C/C(=N/[O-])c1ccc2c(c1)c1cc(/C(C)=N\O)ccc1n2C	ZINC000100720549	567936903	/nfs/dbraw/zinc/93/69/03/567936903.db2.gz	FLWJMRMCBRKRPD-BJPQZVBLSA-N	-1	3	295.342	3.728	40	30		CHEBHM
[O-]/N=C/c1cccc(OCc2ccc(Cl)cc2)c1	ZINC000103857831	230393262	/nfs/dbraw/zinc/39/32/62/230393262.db2.gz	OEBBNAPSLHRVLQ-CXUHLZMHSA-N	-1	3	261.708	3.727	40	30		CHEBHM
[O-]/N=C/c1ccc(OCc2c(F)cccc2Cl)cc1	ZINC000103875895	230393319	/nfs/dbraw/zinc/39/33/19/230393319.db2.gz	MBCQQAPNSZAWSW-CAOOACKPSA-N	-1	3	279.698	3.866	40	30		CHEBHM
C/C(=N\c1cccc([O-])c1)c1cc2ccccc2oc1=O	ZINC000004701589	170001477	/nfs/dbraw/zinc/00/14/77/170001477.db2.gz	PNCIYZBFIABLNX-WOJGMQOQSA-N	-1	3	279.295	3.639	40	30		CHEBHM
CCCCOc1ccc(/C(=N/O)c2ccccc2)c([O-])c1	ZINC000005420489	170097308	/nfs/dbraw/zinc/09/73/08/170097308.db2.gz	XKLFBEHONAWGKI-ISLYRVAYSA-N	-1	3	285.343	3.798	40	30		CHEBHM
CCCCOc1ccc(/C(=N/[O-])c2ccccc2)c(O)c1	ZINC000005420489	170097311	/nfs/dbraw/zinc/09/73/11/170097311.db2.gz	XKLFBEHONAWGKI-ISLYRVAYSA-N	-1	3	285.343	3.798	40	30		CHEBHM
Fc1ccc(OC(F)(F)F)c2[n-]c(C(F)(F)F)nc21	ZINC000258830954	328130295	/nfs/dbraw/zinc/13/02/95/328130295.db2.gz	JCOMHDOONCGSHS-UHFFFAOYSA-N	-1	3	288.122	3.619	40	30		CHEBHM
Fc1ccc(OC(F)(F)F)c2nc(C(F)(F)F)[n-]c21	ZINC000258830954	328130298	/nfs/dbraw/zinc/13/02/98/328130298.db2.gz	JCOMHDOONCGSHS-UHFFFAOYSA-N	-1	3	288.122	3.619	40	30		CHEBHM
CCCCCC/C(=N\[O-])c1ccc(OC)cc1O	ZINC000005417915	519944697	/nfs/dbraw/zinc/94/46/97/519944697.db2.gz	ATPRBBKZFLJWLD-FYWRMAATSA-N	-1	3	251.326	3.550	40	30		CHEBHM
CCCCCC/C(=N\O)c1ccc(OC)cc1[O-]	ZINC000005417915	519944704	/nfs/dbraw/zinc/94/47/04/519944704.db2.gz	ATPRBBKZFLJWLD-FYWRMAATSA-N	-1	3	251.326	3.550	40	30		CHEBHM
CCCCCCCCCCNc1nc(C)cc(=O)[n-]1	ZINC000002606435	520020246	/nfs/dbraw/zinc/02/02/46/520020246.db2.gz	ROAOHBIUITULLV-UHFFFAOYSA-N	-1	3	265.401	3.631	40	30		CHEBHM
CCOc1cc(/C=N\[O-])ccc1OCc1ccc(F)cc1	ZINC000015990460	520646960	/nfs/dbraw/zinc/64/69/60/520646960.db2.gz	QJRMVLSNYMICMY-ZDLGFXPLSA-N	-1	3	289.306	3.612	40	30		CHEBHM
CCOC(=O)C(Cl)=N[N-]c1cc(Cl)ccc1Cl	ZINC000100415260	566878311	/nfs/dbraw/zinc/87/83/11/566878311.db2.gz	JSJNQOAPZJPWKM-DHDCSXOGSA-N	-1	3	295.553	3.521	40	30		CHEBHM
O=C(O/N=C/c1c([O-])ccc2ccccc21)c1ccccc1	ZINC000004412514	567857410	/nfs/dbraw/zinc/85/74/10/567857410.db2.gz	LUGQUXXNVLVQHB-XDHOZWIPSA-N	-1	3	291.306	3.736	40	30		CHEBHM
CCOc1ccc(/N=C/c2ccc(N(C)C)cc2)c([O-])c1	ZINC000016926656	567874225	/nfs/dbraw/zinc/87/42/25/567874225.db2.gz	HLNQGABJMLYGGY-LDADJPATSA-N	-1	3	284.359	3.608	40	30		CHEBHM
[O-]c1c(/C=N/Cc2cccnc2)ccc2ccccc21	ZINC000032101663	567885476	/nfs/dbraw/zinc/88/54/76/567885476.db2.gz	CJYMMLMUGXGVRJ-XDHOZWIPSA-N	-1	3	262.312	3.560	40	30		CHEBHM
O=C1c2ccccc2C(O)=C([O-])C1=CC=C(Cl)Cl	ZINC000100590201	567913524	/nfs/dbraw/zinc/91/35/24/567913524.db2.gz	LKEVYYRGUCTKBS-UHFFFAOYSA-N	-1	3	283.110	3.587	40	30	in-vivo	CHEBHM
Cc1cc(C)cc(COc2ccc(/C=N/[O-])cc2)c1	ZINC000408935890	567933494	/nfs/dbraw/zinc/93/34/94/567933494.db2.gz	FAZJZEWWLMLBBL-LICLKQGHSA-N	-1	3	255.317	3.691	40	30		CHEBHM
Cc1ccnc(/N=C/c2c([O-])ccc3ccccc32)c1	ZINC000013115541	170532880	/nfs/dbraw/zinc/53/28/80/170532880.db2.gz	JXLZYMPHURMGGE-YBFXNURJSA-N	-1	3	262.312	3.999	40	30		CHEBHM
Cc1c(/C=N/c2ccccc2[O-])c2ccccc2n1C	ZINC000059248294	262387419	/nfs/dbraw/zinc/38/74/19/262387419.db2.gz	AOJCAVGHHLZEQJ-WOJGMQOQSA-N	-1	3	264.328	3.943	40	30		CHEBHM
CC(=NN=c1[n-]c(-c2ccccc2)cs1)c1ccc(C)o1	ZINC000023099201	567081376	/nfs/dbraw/zinc/08/13/76/567081376.db2.gz	PNBBOOUATQNWHU-LDADJPATSA-N	-1	3	297.383	3.970	40	30		CHEBHM
[O-]c1ccc2ccccc2c1/C=N\N=C/c1ccco1	ZINC000016919182	567874040	/nfs/dbraw/zinc/87/40/40/567874040.db2.gz	PXAYNARPDOREBP-IWSCKCOWSA-N	-1	3	264.284	3.591	40	30		CHEBHM
C/C(=N/Sc1cccc([N+](=O)[O-])c1)c1ccccc1[O-]	ZINC000017021624	567874487	/nfs/dbraw/zinc/87/44/87/567874487.db2.gz	LCYMAHOJMZIQHP-GDNBJRDFSA-N	-1	3	288.328	3.817	40	30		CHEBHM
Cc1cc(O)c(C(C)C)cc1/N=C\c1ccc(O)cc1[O-]	ZINC000017288800	567875350	/nfs/dbraw/zinc/87/53/50/567875350.db2.gz	ZHFPIEYOZCOZJF-NVMNQCDNSA-N	-1	3	285.343	3.986	40	30		CHEBHM
Cc1cccnc1/N=C\c1c([O-])ccc2ccccc21	ZINC000101206742	567914699	/nfs/dbraw/zinc/91/46/99/567914699.db2.gz	KVJQPVPRIHFWLW-ODLFYWEKSA-N	-1	3	262.312	3.999	40	30		CHEBHM
CN(C)c1ccc(/C=C/C=N/N=C\c2ccccc2[O-])cc1	ZINC000005422971	170097743	/nfs/dbraw/zinc/09/77/43/170097743.db2.gz	WNHBKZGOPMDTJB-OUJTVKGUSA-N	-1	3	293.370	3.576	40	30		CHEBHM
CCOc1cc(C=NNc2ccccc2)cc(Cl)c1[O-]	ZINC000043776114	175105484	/nfs/dbraw/zinc/10/54/84/175105484.db2.gz	XMXICJJBSCGSLA-LICLKQGHSA-N	-1	3	290.750	3.890	40	30		CHEBHM
C=CCc1cc(/C=N/c2ccc([O-])cc2)cc(OCC)c1O	ZINC000059248546	262387490	/nfs/dbraw/zinc/38/74/90/262387490.db2.gz	DLXBRJONMXWFLP-XDHOZWIPSA-N	-1	3	297.354	3.976	40	30		CHEBHM
CCCCCCCCc1c(C)nc(N2CCCC2)[n-]c1=O	ZINC000098048799	528132731	/nfs/dbraw/zinc/13/27/31/528132731.db2.gz	VYKGARKIZIZYLC-UHFFFAOYSA-N	-1	3	291.439	3.994	40	30		CHEBHM
CCCCCCOc1ccc(/C=N\[O-])cc1OCC	ZINC000011860153	528146989	/nfs/dbraw/zinc/14/69/89/528146989.db2.gz	GMWIQQSCBQGZRJ-VBKFSLOCSA-N	-1	3	265.353	3.853	40	30		CHEBHM
CC(C)COc1c(Cl)cc(/C=N/[O-])cc1Cl	ZINC000409052762	570275671	/nfs/dbraw/zinc/27/56/71/570275671.db2.gz	AHCWNNFLNHAPNP-LHHJGKSTSA-N	-1	3	262.136	3.836	40	30		CHEBHM
COc1cccc(/C=N/c2ccc([O-])cc2)c1OC(C)C	ZINC000409011751	1119857955	/nfs/dbraw/zinc/85/79/55/1119857955.db2.gz	IITVZIIPTNOOEE-WOJGMQOQSA-N	-1	3	285.343	3.939	40	30		CHEBHM
Cc1ccccc1C(=O)Oc1c(C)cc(/C=N\[O-])cc1C	ZINC000256053406	1120431057	/nfs/dbraw/zinc/43/10/57/1120431057.db2.gz	RIJSVRQERMBIDZ-ZDLGFXPLSA-N	-1	3	283.327	3.639	40	30		CHEBHM
CCOc1ccc(/N=C\c2ccc(N(C)C)cc2)c([O-])c1	ZINC000095548206	185008684	/nfs/dbraw/zinc/00/86/84/185008684.db2.gz	HLNQGABJMLYGGY-PDGQHHTCSA-N	-1	3	284.359	3.608	40	30		CHEBHM
COc1ccccc1/C=C\C(=O)/C=C\c1ccccc1[O-]	ZINC000004974725	260016797	/nfs/dbraw/zinc/01/67/97/260016797.db2.gz	RNDFIDUOVAGOQF-MIMPSMLTSA-N	-1	3	280.323	3.697	40	30		CHEBHM
Cc1ccc(C(C)C)c(O)c1NN=Cc1ccccc1[O-]	ZINC000004775347	567859159	/nfs/dbraw/zinc/85/91/59/567859159.db2.gz	JCCSZGWZTXUPLC-VCHYOVAHSA-N	-1	3	284.359	3.976	40	30		CHEBHM
[O-]c1ccccc1/C=N\c1ccc(Br)cc1	ZINC000096299816	567910222	/nfs/dbraw/zinc/91/02/22/567910222.db2.gz	VWAMOQWOPYDCQR-DHDCSXOGSA-N	-1	3	276.133	3.905	40	30		CHEBHM
CCCC/N=C(\c1ccc(O)cc1)c1ccc(OC)cc1[O-]	ZINC000104265796	567916634	/nfs/dbraw/zinc/91/66/34/567916634.db2.gz	NYIZUIYLUUGKOB-VHEBQXMUSA-N	-1	3	299.370	3.744	40	30		CHEBHM
Cc1cccc(/N=C\c2c([O-])ccc3ccccc32)n1	ZINC000101206740	567937250	/nfs/dbraw/zinc/93/72/50/567937250.db2.gz	GOXMIRPGNYQUGX-WQRHYEAKSA-N	-1	3	262.312	3.999	40	30		CHEBHM
N#Cc1c(/N=C/c2cc([O-])cc(O)c2)sc2c1CCCC2	ZINC000011565681	570219841	/nfs/dbraw/zinc/21/98/41/570219841.db2.gz	YXTCLZHUYLUJTF-GIJQJNRQSA-N	-1	3	298.367	3.660	40	30		CHEBHM
CCC(=N\[O-])/C(=N/O)c1ccc(C2CCCC2)cc1	ZINC000005414709	170096584	/nfs/dbraw/zinc/09/65/84/170096584.db2.gz	PVFHLLBSAHCPSP-YXLFCKQPSA-N	-1	3	260.337	3.763	40	30		CHEBHM
O=C(/C=C/c1ccccc1)/C=C\c1ccccc1[O-]	ZINC000005722864	170133262	/nfs/dbraw/zinc/13/32/62/170133262.db2.gz	FDFRSFSHWUDRTJ-FAEGWCMCSA-N	-1	3	250.297	3.688	40	30		CHEBHM
[O-]c1ccc2ccccc2c1/C=N\N=C\c1ccco1	ZINC000008637384	170343556	/nfs/dbraw/zinc/34/35/56/170343556.db2.gz	PXAYNARPDOREBP-VJTUXUFQSA-N	-1	3	264.284	3.591	40	30		CHEBHM
C/C(=N\c1cc(C)ccc1[O-])c1cc2ccccc2oc1=O	ZINC000068601571	518472588	/nfs/dbraw/zinc/47/25/88/518472588.db2.gz	BQKJIZHFRTYVLV-XDHOZWIPSA-N	-1	3	293.322	3.948	40	30		CHEBHM
[O-]/N=C/c1cccc(-c2nc3ccc(F)cc3s2)c1	ZINC000045923186	566977434	/nfs/dbraw/zinc/97/74/34/566977434.db2.gz	XUSUYKKQAWEPRF-LZYBPNLTSA-N	-1	3	272.304	3.911	40	30		CHEBHM
CCCCCCC/C(=N\[O-])c1ccc(O)cc1O	ZINC000100925721	567914016	/nfs/dbraw/zinc/91/40/16/567914016.db2.gz	AHDYSCLPBXGCBS-FYWRMAATSA-N	-1	3	251.326	3.637	40	30		CHEBHM
Cc1c(/C=N\c2ccc([O-])cc2)c2ccccc2n1C	ZINC000408848046	567933049	/nfs/dbraw/zinc/93/30/49/567933049.db2.gz	PDFYIJXMTCEBNP-WQRHYEAKSA-N	-1	3	264.328	3.943	40	30		CHEBHM
CCOc1cc(/C=N\[O-])ccc1OCc1ccccc1C	ZINC000062153254	570334550	/nfs/dbraw/zinc/33/45/50/570334550.db2.gz	DZKYQSDMLNRPQV-WQRHYEAKSA-N	-1	3	285.343	3.781	40	30		CHEBHM
N#Cc1c([N-]C(=O)c2ccc(F)s2)sc2c1CCC2	ZINC000252483932	570391379	/nfs/dbraw/zinc/39/13/79/570391379.db2.gz	FLCGOLQMJQSNEH-UHFFFAOYSA-N	-1	3	292.360	3.561	40	30		CHEBHM
O=C1C=CC(=C(c2ccccc2)c2ccc([O-])cc2)C=C1	ZINC000004726295	170006746	/nfs/dbraw/zinc/00/67/46/170006746.db2.gz	IWNZKMGBKBEPSO-UHFFFAOYSA-N	-1	3	274.319	3.889	40	30		CHEBHM
CCCCCCCCCc1cc(=O)[n-]c(=S)[nH]1	ZINC000001585430	520031074	/nfs/dbraw/zinc/03/10/74/520031074.db2.gz	KESUQTQMLIQCLD-UHFFFAOYSA-N	-1	3	254.399	3.726	40	30		CHEBHM
CC(=NNc1ccc2ccccc2n1)c1ccccc1[O-]	ZINC000084459882	566979480	/nfs/dbraw/zinc/97/94/80/566979480.db2.gz	IZHPDVLGPQNUBP-UNOMPAQXSA-N	-1	3	277.327	3.777	40	30	in-vitro	CHEBHM
Cc1ccnc(/N=C/c2cc(Br)ccc2[O-])c1	ZINC000000434600	567103078	/nfs/dbraw/zinc/10/30/78/567103078.db2.gz	UZJZVPXYNRSYAJ-LZYBPNLTSA-N	-1	3	291.148	3.609	40	30		CHEBHM
[O-]c1ccc(/N=C/c2ccc(N3CCCC3)c(F)c2)cc1	ZINC000409068971	567933946	/nfs/dbraw/zinc/93/39/46/567933946.db2.gz	VASCJBAITUTZQC-XDHOZWIPSA-N	-1	3	284.334	3.882	40	30		CHEBHM
CCOc1ccc(-c2ccc(/C(C)=N/[O-])c(O)c2)cc1	ZINC000004754715	170011750	/nfs/dbraw/zinc/01/17/50/170011750.db2.gz	AOKKHWGPEONZPD-GZTJUZNOSA-N	-1	3	271.316	3.656	40	30		CHEBHM
CCOc1ccc(-c2ccc(/C(C)=N/O)c([O-])c2)cc1	ZINC000004754715	170011751	/nfs/dbraw/zinc/01/17/51/170011751.db2.gz	AOKKHWGPEONZPD-GZTJUZNOSA-N	-1	3	271.316	3.656	40	30		CHEBHM
CCOc1ccc(C=NNc2ccc(Cl)cc2)c([O-])c1	ZINC000004926503	170041449	/nfs/dbraw/zinc/04/14/49/170041449.db2.gz	PPIZYJSMVFJZQE-LICLKQGHSA-N	-1	3	290.750	3.890	40	30		CHEBHM
[O-]c1ccccc1/C=N/N=C\c1ccc(Cl)s1	ZINC000008637429	170343639	/nfs/dbraw/zinc/34/36/39/170343639.db2.gz	WIHDQFSDRGDNHJ-GOBHWCIESA-N	-1	3	264.737	3.560	40	30		CHEBHM
[O-]/N=C/c1ccc(OCc2ccc(F)cc2)c(Cl)c1	ZINC000253576692	328115994	/nfs/dbraw/zinc/11/59/94/328115994.db2.gz	WDCWROLEYRAMIH-CAOOACKPSA-N	-1	3	279.698	3.866	40	30		CHEBHM
COc1ccccc1/C=C/C(=O)/C=C\c1ccccc1[O-]	ZINC000013152254	326838415	/nfs/dbraw/zinc/83/84/15/326838415.db2.gz	RNDFIDUOVAGOQF-PJABCKPXSA-N	-1	3	280.323	3.697	40	30		CHEBHM
C=CCc1cccc(/C=N/c2ccccc2[O-])c1O	ZINC000100290608	567912718	/nfs/dbraw/zinc/91/27/18/567912718.db2.gz	YFCZBGFJBGKBMI-GZTJUZNOSA-N	-1	3	253.301	3.577	40	30		CHEBHM
C/C(=N/[O-])c1ccc2c3c(ccc2Br)CCc31	ZINC000104128305	567916026	/nfs/dbraw/zinc/91/60/26/567916026.db2.gz	XLJWLASWONJHLK-PXNMLYILSA-N	-1	3	290.160	3.899	40	30		CHEBHM
COc1ccc(-n2cccc2/C=N\c2ccccc2[O-])cc1	ZINC000408849640	567933135	/nfs/dbraw/zinc/93/31/35/567933135.db2.gz	XHXJWZRDCHMSST-UYRXBGFRSA-N	-1	3	292.338	3.942	40	30		CHEBHM
C=CCc1cc(C=C2C(=O)c3ccccc3C2=O)ccc1[O-]	ZINC000408912490	567933563	/nfs/dbraw/zinc/93/35/63/567933563.db2.gz	HBBKDBBYYJKOIN-UHFFFAOYSA-N	-1	3	290.318	3.583	40	30		CHEBHM
C/C(=N\O)c1ccc2c(c1)c1cc(/C(C)=N\[O-])ccc1n2C	ZINC000100720547	567936950	/nfs/dbraw/zinc/93/69/50/567936950.db2.gz	FLWJMRMCBRKRPD-OMYAATJGSA-N	-1	3	295.342	3.728	40	30		CHEBHM
C/C(=N\[O-])c1ccc2c(c1)c1cc(/C(C)=N\O)ccc1n2C	ZINC000100720547	567936951	/nfs/dbraw/zinc/93/69/51/567936951.db2.gz	FLWJMRMCBRKRPD-OMYAATJGSA-N	-1	3	295.342	3.728	40	30		CHEBHM
Cc1csc(N=NCc2c([O-])ccc3ccccc32)n1	ZINC000005010199	170055416	/nfs/dbraw/zinc/05/54/16/170055416.db2.gz	OQAYEPLAKSZYKN-PXNMLYILSA-N	-1	3	283.356	3.756	40	30		CHEBHM
CC(C)C(=O)Nc1cccc(/N=C/c2ccccc2[O-])c1	ZINC000005841550	170146134	/nfs/dbraw/zinc/14/61/34/170146134.db2.gz	LECMZLUJAWTVCC-WOJGMQOQSA-N	-1	3	282.343	3.737	40	30		CHEBHM
CN(C)c1ccc(/C=C\C=N\N=C/c2ccccc2[O-])cc1	ZINC000008627683	170343231	/nfs/dbraw/zinc/34/32/31/170343231.db2.gz	WNHBKZGOPMDTJB-WHYALWOVSA-N	-1	3	293.370	3.576	40	30		CHEBHM
[O-]/N=C/c1ccc(OCc2cccc(F)c2)c(Cl)c1	ZINC000253576975	328115891	/nfs/dbraw/zinc/11/58/91/328115891.db2.gz	WMVYARBWBPYLGX-CAOOACKPSA-N	-1	3	279.698	3.866	40	30		CHEBHM
O=C(/C=C/c1ccccc1)/C=C/c1ccccc1[O-]	ZINC000001624890	567839654	/nfs/dbraw/zinc/83/96/54/567839654.db2.gz	FDFRSFSHWUDRTJ-DCIPZJNNSA-N	-1	3	250.297	3.688	40	30		CHEBHM
O=C1c2ccccc2S/C1=C/c1ccccc1[O-]	ZINC000002353338	567845563	/nfs/dbraw/zinc/84/55/63/567845563.db2.gz	HLPGRFCGYOULHX-NTEUORMPSA-N	-1	3	254.310	3.722	40	30		CHEBHM
CC(C)Oc1ccc(C=NNc2ccccc2)c([O-])c1	ZINC000408588143	567853033	/nfs/dbraw/zinc/85/30/33/567853033.db2.gz	ICPWPLDQKPYGII-GZTJUZNOSA-N	-1	3	270.332	3.625	40	30		CHEBHM
Cc1ccc(/N=C/c2cc(Cl)ccc2[O-])cc1O	ZINC000004359190	567856915	/nfs/dbraw/zinc/85/69/15/567856915.db2.gz	HAUBPCNUAKRZHT-LZYBPNLTSA-N	-1	3	261.708	3.810	40	30		CHEBHM
Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1ccc(F)cc1	ZINC000408741623	567861009	/nfs/dbraw/zinc/86/10/09/567861009.db2.gz	RBWXVXOGZBKXEJ-ZVCOJXFSSA-N	-1	3	295.317	3.567	40	30		CHEBHM
Cc1cc(/C=N/c2ccc([O-])cc2)c(C)n1-c1ccccn1	ZINC000100371259	567913092	/nfs/dbraw/zinc/91/30/92/567913092.db2.gz	VVBAEDQOHLDADN-UDWIEESQSA-N	-1	3	291.354	3.945	40	30		CHEBHM
N#Cc1c(/N=C/c2ccc(O)cc2[O-])sc2c1CCCC2	ZINC000100548045	567936782	/nfs/dbraw/zinc/93/67/82/567936782.db2.gz	XSVDVICOKJCXSF-GIJQJNRQSA-N	-1	3	298.367	3.660	40	30		CHEBHM
N#Cc1c(/N=C/c2ccc([O-])cc2O)sc2c1CCCC2	ZINC000100548045	567936783	/nfs/dbraw/zinc/93/67/83/567936783.db2.gz	XSVDVICOKJCXSF-GIJQJNRQSA-N	-1	3	298.367	3.660	40	30		CHEBHM
O=C(C=C1SCCCS1)/C=C/c1ccccc1[O-]	ZINC000005583238	170116207	/nfs/dbraw/zinc/11/62/07/170116207.db2.gz	AIKDCCKEVCKYIR-VOTSOKGWSA-N	-1	3	278.398	3.686	40	30		CHEBHM
CCN(CC)c1ccc(/C=N/c2ccc([O-])cc2)c(O)c1	ZINC000006466092	170203380	/nfs/dbraw/zinc/20/33/80/170203380.db2.gz	SIDRCSZRVYBXIA-LDADJPATSA-N	-1	3	284.359	3.695	40	30		CHEBHM
[O-]c1ccc2ccccc2c1/C=N\N=C/c1ccccc1O	ZINC000095548224	185008660	/nfs/dbraw/zinc/00/86/60/185008660.db2.gz	PHRNPTKIRJLLDZ-YZLQMOBTSA-N	-1	3	290.322	3.704	40	30		CHEBHM
C/C(=N\[O-])c1ccc2c(c1)c1cc(/C(C)=N/O)ccc1n2C	ZINC000008565405	170340612	/nfs/dbraw/zinc/34/06/12/170340612.db2.gz	FLWJMRMCBRKRPD-XOBNHNQQSA-N	-1	3	295.342	3.728	40	30		CHEBHM
C=CCc1cc(/C=N/c2cccnc2)cc(OCC)c1[O-]	ZINC000059679461	262391271	/nfs/dbraw/zinc/39/12/71/262391271.db2.gz	KVHCZBUBIFACGX-YBFXNURJSA-N	-1	3	282.343	3.665	40	30		CHEBHM
[O-]c1ccc(Cl)cc1/C=N/c1nonc1-c1ccccc1	ZINC000005490372	567859405	/nfs/dbraw/zinc/85/94/05/567859405.db2.gz	ILOFLSKEKRRGHG-RQZCQDPDSA-N	-1	3	299.717	3.846	40	30		CHEBHM
[O-]c1ccc2ccccc2c1/C=N/N=C/c1ccccc1O	ZINC000016919844	567874082	/nfs/dbraw/zinc/87/40/82/567874082.db2.gz	PHRNPTKIRJLLDZ-AYKLPDECSA-N	-1	3	290.322	3.704	40	30		CHEBHM
[O-]c1ccccc1/N=C\c1ccc(N2CCCC2)c(F)c1	ZINC000409074043	567934133	/nfs/dbraw/zinc/93/41/33/567934133.db2.gz	ROWZSWBITZJPJP-UNOMPAQXSA-N	-1	3	284.334	3.882	40	30		CHEBHM
CC(=NN=c1[nH]c2ccccc2s1)c1ccccc1[O-]	ZINC000006672845	170225114	/nfs/dbraw/zinc/22/51/14/170225114.db2.gz	FCOKIXXAAMPRTG-LICLKQGHSA-N	-1	3	283.356	3.838	40	30		CHEBHM
CCCCCCCCCCSc1nnc(NC(C)=O)[n-]1	ZINC000008828603	261082256	/nfs/dbraw/zinc/08/22/56/261082256.db2.gz	OOBHNUMOYXOVJB-UHFFFAOYSA-N	-1	3	298.456	3.996	40	30	aggregator	CHEBHM
CCCCCCCCCCSc1n[n-]c(NC(C)=O)n1	ZINC000008828603	261082259	/nfs/dbraw/zinc/08/22/59/261082259.db2.gz	OOBHNUMOYXOVJB-UHFFFAOYSA-N	-1	3	298.456	3.996	40	30	aggregator	CHEBHM
CCCCCCCCCCSc1nc(NC(C)=O)n[n-]1	ZINC000008828603	261082261	/nfs/dbraw/zinc/08/22/61/261082261.db2.gz	OOBHNUMOYXOVJB-UHFFFAOYSA-N	-1	3	298.456	3.996	40	30	aggregator	CHEBHM
[O-]/N=C1/c2ccccc2-c2cccc(Br)c21	ZINC000104109058	567916053	/nfs/dbraw/zinc/91/60/53/567916053.db2.gz	AIBKDTNOCYCGQH-SQFISAMPSA-N	-1	3	274.117	3.656	40	30		CHEBHM
O=C(CF)N([O-])c1ccc(/C=C/c2ccccc2)cc1	ZINC000001703981	567924412	/nfs/dbraw/zinc/92/44/12/567924412.db2.gz	YMRIBQFQMYWELA-VOTSOKGWSA-N	-1	3	271.291	3.549	40	30		CHEBHM
COc1cc(/C=N/[O-])ccc1OCc1cc(C)cc(C)c1	ZINC000408945772	567933369	/nfs/dbraw/zinc/93/33/69/567933369.db2.gz	XHIFFDDUAZCUOE-VCHYOVAHSA-N	-1	3	285.343	3.699	40	30		CHEBHM
CCn1c2ccccc2nc1/N=C/c1ccc(OC)cc1[O-]	ZINC000100199579	567935677	/nfs/dbraw/zinc/93/56/77/567935677.db2.gz	VBDFNNRBVXDYIT-WOJGMQOQSA-N	-1	3	295.342	3.521	40	30		CHEBHM
[O-]c1ccc(Br)cc1/C=N\c1ccccc1	ZINC000100457769	570258894	/nfs/dbraw/zinc/25/88/94/570258894.db2.gz	UBWNXKBHOIRKNG-DHDCSXOGSA-N	-1	3	276.133	3.905	40	30		CHEBHM
COc1ccc(/C=N\[O-])cc1OCc1ccc(Cl)cc1	ZINC000011862019	570336113	/nfs/dbraw/zinc/33/61/13/570336113.db2.gz	PFWYWQZYZYFHPE-MFOYZWKCSA-N	-1	3	291.734	3.736	40	30		CHEBHM
O=C(CF)N([O-])c1ccc(/C=C\c2ccccc2)cc1	ZINC000004995036	170051608	/nfs/dbraw/zinc/05/16/08/170051608.db2.gz	YMRIBQFQMYWELA-SREVYHEPSA-N	-1	3	271.291	3.549	40	30		CHEBHM
[O-]c1ccccc1/C=N\N=C/C=C\c1ccccc1	ZINC000006060518	170173221	/nfs/dbraw/zinc/17/32/21/170173221.db2.gz	BFTRWEAEANFJBK-GAFACOAVSA-N	-1	3	250.301	3.510	40	30		CHEBHM
[O-]c1c(/C(=N/O)c2ccccc2)ccc2ccccc21	ZINC000006528968	170210599	/nfs/dbraw/zinc/21/05/99/170210599.db2.gz	IRHAPSPEGVYEQW-FBMGVBCBSA-N	-1	3	263.296	3.772	40	30		CHEBHM
[O-]/N=C(\c1ccccc1)c1ccc2ccccc2c1O	ZINC000006528968	170210600	/nfs/dbraw/zinc/21/06/00/170210600.db2.gz	IRHAPSPEGVYEQW-FBMGVBCBSA-N	-1	3	263.296	3.772	40	30		CHEBHM
[O-]/N=C1\c2ccccc2-c2cccc(Br)c21	ZINC000018118605	170742812	/nfs/dbraw/zinc/74/28/12/170742812.db2.gz	AIBKDTNOCYCGQH-FYWRMAATSA-N	-1	3	274.117	3.656	40	30		CHEBHM
[O-]/N=C1/c2ccccc2-c2ccc(Br)cc21	ZINC000022241181	171381585	/nfs/dbraw/zinc/38/15/85/171381585.db2.gz	ZGQUHZBHDADNOW-SQFISAMPSA-N	-1	3	274.117	3.656	40	30		CHEBHM
CCOc1cc(/C=N\[O-])ccc1OCc1ccc(C)cc1	ZINC000100250346	566877919	/nfs/dbraw/zinc/87/79/19/566877919.db2.gz	ORZXAVVYGYBRFH-WQRHYEAKSA-N	-1	3	285.343	3.781	40	30		CHEBHM
Cc1n[nH]c(C)c1/N=C/c1c([O-])ccc2ccccc21	ZINC000002741471	567932044	/nfs/dbraw/zinc/93/20/44/567932044.db2.gz	IBHBESFJUSOIJP-RQZCQDPDSA-N	-1	3	265.316	3.636	40	30		CHEBHM
Cc1nn(C)c(C)c1/N=C/c1c([O-])ccc2ccccc21	ZINC000013126632	567941322	/nfs/dbraw/zinc/94/13/22/567941322.db2.gz	RZIALXYIRNOGAQ-VCHYOVAHSA-N	-1	3	279.343	3.646	40	30		CHEBHM