smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCN(CC)c1ccc(C=[NH+][N-]c2ccc(C)cc2)c([O-])c1	ZINC000606346856	1121666106	/nfs/dbraw/zinc/66/61/06/1121666106.db2.gz	ZJZFJLJEUYVXQM-UHFFFAOYSA-N	-1	3	297.402	3.993	50	30		CHEAHM
[O-]c1ccccc1/N=C/c1ccc(Br)cc1	ZINC000017781814	230371916	/nfs/dbraw/zinc/37/19/16/230371916.db2.gz	XHIIEEPPCLKWQN-OQLLNIDSSA-N	-1	3	276.133	3.905	50	30		CHEAHM
CCc1ccc(/C=C2/Cc3c(cccc3[O-])C2=O)cc1	ZINC000096931939	185131824	/nfs/dbraw/zinc/13/18/24/185131824.db2.gz	HBWMMFFIAKGGFO-UVTDQMKNSA-N	-1	3	264.324	3.777	50	30		CHEAHM
O=C1c2cccc([O-])c2C/C1=C\c1ccccc1Cl	ZINC000096931908	185132458	/nfs/dbraw/zinc/13/24/58/185132458.db2.gz	QPELJVLXGRLPFO-DHZHZOJOSA-N	-1	3	270.715	3.868	50	30		CHEAHM
O=C(/C=C/c1cc(Br)ccc1[O-])c1ccco1	ZINC000005022065	170057313	/nfs/dbraw/zinc/05/73/13/170057313.db2.gz	HFQWTDLTLXWXHX-HWKANZROSA-N	-1	3	293.116	3.644	50	30		CHEAHM
O=C1c2ccccc2C([O-])=C1c1nc2cc(Cl)ccc2[nH]1	ZINC000005204581	170076150	/nfs/dbraw/zinc/07/61/50/170076150.db2.gz	RDEUNWISIPZVSL-UHFFFAOYSA-N	-1	3	296.713	3.839	50	30		CHEAHM
COc1cc(C(=O)/C=C/c2sccc2C)ccc1[O-]	ZINC000006790050	170243948	/nfs/dbraw/zinc/24/39/48/170243948.db2.gz	GAURCIJUZKEOGK-AATRIKPKSA-N	-1	3	274.341	3.667	50	30		CHEAHM
O=C(/C=C/c1ccc2ccccc2n1)c1cccc([O-])c1	ZINC000008792571	170355863	/nfs/dbraw/zinc/35/58/63/170355863.db2.gz	RSRKAFCAKWZBPQ-ZHACJKMWSA-N	-1	3	275.307	3.837	50	30	biogenic	CHEAHM
COC(=O)c1cccc(/N=C/c2cc(Cl)ccc2[O-])c1	ZINC000022728554	171396733	/nfs/dbraw/zinc/39/67/33/171396733.db2.gz	KDVRGGZIWKFJLZ-RQZCQDPDSA-N	-1	3	289.718	3.583	50	30		CHEAHM
C[C@H]1CCc2sc([N-]C(=O)c3ccco3)c(C#N)c2C1	ZINC000004069991	533787455	/nfs/dbraw/zinc/78/74/55/533787455.db2.gz	VFCSRXKXMNFPJN-VIFPVBQESA-N	-1	3	286.356	3.590	50	30		CHEAHM
CCCCCCCCCS(=O)(=O)[N-]c1ccc(C)cn1	ZINC000003156193	520029049	/nfs/dbraw/zinc/02/90/49/520029049.db2.gz	MRTMTBZGMIRPEX-UHFFFAOYSA-N	-1	3	298.452	3.882	50	30		CHEAHM
CCCCCCCCCCCCCOC[C@@H](N)C(=O)[O-]	ZINC000070665010	567119872	/nfs/dbraw/zinc/11/98/72/567119872.db2.gz	IHLUAFQQQDFWPJ-OAHLLOKOSA-N	-1	3	287.444	3.726	50	30	biogenic	CHEAHM
CCCCc1noc2c1/C(=N\[O-])C[C@H](c1ccccc1)C2	ZINC000013116588	567864993	/nfs/dbraw/zinc/86/49/93/567864993.db2.gz	DDYXNPSRXOROOT-VLFBTDHHSA-N	-1	3	284.359	3.926	50	30		CHEAHM
Cc1cc(C)cc(NC(=O)C(=O)C=C([O-])c2ccccc2)c1	ZINC000101355141	567940999	/nfs/dbraw/zinc/94/09/99/567940999.db2.gz	UWODOZLZVOYHKA-BOPFTXTBSA-N	-1	3	295.338	3.567	50	30		CHEAHM
Cc1ccc(NC(=O)C(=O)C=C([O-])c2ccccc2)c(C)c1	ZINC000101355154	567941004	/nfs/dbraw/zinc/94/10/04/567941004.db2.gz	KSJLVOAUOKHNMK-BOPFTXTBSA-N	-1	3	295.338	3.567	50	30		CHEAHM
C=CCn1c2ccccc2nc1/N=C/c1ccccc1[O-]	ZINC000004599561	570235422	/nfs/dbraw/zinc/23/54/22/570235422.db2.gz	JKNBNAJLHXHRBE-LDADJPATSA-N	-1	3	277.327	3.679	50	30		CHEAHM
[O-]c1ccc(Cl)cc1/C=N\CCc1ccccc1	ZINC000018042715	570282759	/nfs/dbraw/zinc/28/27/59/570282759.db2.gz	BVBFOUQMCJEBKN-BOPFTXTBSA-N	-1	3	259.736	3.707	50	30		CHEAHM
[O-]c1ccc2ccccc2c1/C=N\Cc1cccnc1	ZINC000095857885	185029998	/nfs/dbraw/zinc/02/99/98/185029998.db2.gz	KEJZYIVPICKCDD-UNOMPAQXSA-N	-1	3	262.312	3.560	50	30		CHEAHM
COc1ccccc1C/N=C/c1cc(Cl)ccc1[O-]	ZINC000005288045	170083354	/nfs/dbraw/zinc/08/33/54/170083354.db2.gz	PQLYKJDYLDMGDJ-LICLKQGHSA-N	-1	3	275.735	3.673	50	30		CHEAHM
[O-]/N=C\c1ccc2noc(-c3ccc(Cl)cc3)c2c1	ZINC000005344504	170087611	/nfs/dbraw/zinc/08/76/11/170087611.db2.gz	RDUFCPNLYHCHSI-PXNMLYILSA-N	-1	3	272.691	3.956	50	30		CHEAHM
COc1cc(C(=O)/C=C/c2ccccc2C)ccc1[O-]	ZINC000008322733	170331025	/nfs/dbraw/zinc/33/10/25/170331025.db2.gz	IFTVVEZSBGYXQZ-VQHVLOKHSA-N	-1	3	268.312	3.605	50	30		CHEAHM
COC(=O)c1ccc(/N=C/c2cc(Cl)ccc2[O-])cc1	ZINC000040477011	174282640	/nfs/dbraw/zinc/28/26/40/174282640.db2.gz	LOPLMDBIDALFLI-RQZCQDPDSA-N	-1	3	289.718	3.583	50	30		CHEAHM
C[C@@H]1CCc2sc([N-]C(=O)c3ccco3)c(C#N)c2C1	ZINC000004069990	534271061	/nfs/dbraw/zinc/27/10/61/534271061.db2.gz	VFCSRXKXMNFPJN-SECBINFHSA-N	-1	3	286.356	3.590	50	30		CHEAHM
Cc1ccc([O-])c(/N=C/C=N/c2cc(C)ccc2O)c1	ZINC000003091528	566913384	/nfs/dbraw/zinc/91/33/84/566913384.db2.gz	OCAJUDPANDEMCR-ZEELXFFVSA-N	-1	3	268.316	3.819	50	30		CHEAHM
O=C1c2cc(Cl)ccc2O/C1=C/c1ccccc1[O-]	ZINC000043761378	566916182	/nfs/dbraw/zinc/91/61/82/566916182.db2.gz	XJSZEMLMIBPIQA-VGOFMYFVSA-N	-1	3	272.687	3.662	50	30		CHEAHM
CC(C)[C@H](Sc1ccccc1)C1=C([O-])CCC1=O	ZINC000101082243	566918921	/nfs/dbraw/zinc/91/89/21/566918921.db2.gz	FUVVVDMGLGEIHU-HNNXBMFYSA-N	-1	3	262.374	3.978	50	30		CHEAHM
[O-]/N=C/c1ccc(OCc2ccccc2Cl)cc1	ZINC000004498704	567857613	/nfs/dbraw/zinc/85/76/13/567857613.db2.gz	RIXPNWPKNIZOHD-CXUHLZMHSA-N	-1	3	261.708	3.727	50	30		CHEAHM
COc1ccccc1/N=C/c1cc(Cl)ccc1[O-]	ZINC000004670516	567858903	/nfs/dbraw/zinc/85/89/03/567858903.db2.gz	CGAOAKHDDQNBGQ-CXUHLZMHSA-N	-1	3	261.708	3.805	50	30		CHEAHM
CCCOc1ccc(C/N=C/c2ccccc2[O-])cc1	ZINC000057411752	567900876	/nfs/dbraw/zinc/90/08/76/567900876.db2.gz	ZZMCIHODLRFHBT-QGOAFFKASA-N	-1	3	269.344	3.800	50	30		CHEAHM
[O-]/N=C/c1ccc(OCc2ccccc2F)c(Cl)c1	ZINC000100891394	567914122	/nfs/dbraw/zinc/91/41/22/567914122.db2.gz	XSTRSHVVFZMLFQ-CAOOACKPSA-N	-1	3	279.698	3.866	50	30		CHEAHM
COC(=O)c1cc(C(=O)Nc2cccc3ccccc32)c[n-]1	ZINC000328596011	567923019	/nfs/dbraw/zinc/92/30/19/567923019.db2.gz	NHWQMGKUGBFEEX-UHFFFAOYSA-N	-1	3	294.310	3.591	50	30		CHEAHM
CC(=O)N([O-])C/C=C/c1cccc(Oc2ccccc2)c1	ZINC000005138195	170070114	/nfs/dbraw/zinc/07/01/14/170070114.db2.gz	CEUDWZXMLMKPNN-SOFGYWHQSA-N	-1	3	283.327	3.730	50	30	in-vivo	CHEAHM
COc1ccc(/N=C/c2cc(Cl)ccc2[O-])cc1	ZINC000005286750	170083162	/nfs/dbraw/zinc/08/31/62/170083162.db2.gz	FYGRJBYYFWNZLL-CXUHLZMHSA-N	-1	3	261.708	3.805	50	30		CHEAHM
COc1cc(/C=C/C(=O)c2ccccc2C)cc(OC)c1[O-]	ZINC000028913065	262372436	/nfs/dbraw/zinc/37/24/36/262372436.db2.gz	RCFZCYJNSYMWIN-CMDGGOBGSA-N	-1	3	298.338	3.614	50	30		CHEAHM
C=CCc1cccc(C2N(C)c3ccccc3N2C)c1[O-]	ZINC000000127022	566899462	/nfs/dbraw/zinc/89/94/62/566899462.db2.gz	SQGBIEBHZJWTFB-UHFFFAOYSA-N	-1	3	280.371	3.706	50	30		CHEAHM
CC(C)(C)c1ccc([O-])c(NC(=O)c2ccc(C#N)cc2)c1	ZINC000012926367	566931230	/nfs/dbraw/zinc/93/12/30/566931230.db2.gz	LCDXPLWBCGWCFO-UHFFFAOYSA-N	-1	3	294.354	3.814	50	30		CHEAHM
COc1ccc(/N=C/c2cc(Cl)ccc2[O-])cc1OC	ZINC000000220007	567822364	/nfs/dbraw/zinc/82/23/64/567822364.db2.gz	KZSPKNZRBKAHBU-RQZCQDPDSA-N	-1	3	291.734	3.813	50	30		CHEAHM
O=C1C=C([O-])C[C@@H](c2ccc(C(F)(F)F)cc2)C1	ZINC000002577504	567848536	/nfs/dbraw/zinc/84/85/36/567848536.db2.gz	GBQFDYLJNZTZOS-VIFPVBQESA-N	-1	3	256.223	3.594	50	30		CHEAHM
O=C1C=C([O-])C[C@H](c2ccc(C(F)(F)F)cc2)C1	ZINC000002577504	567848538	/nfs/dbraw/zinc/84/85/38/567848538.db2.gz	GBQFDYLJNZTZOS-VIFPVBQESA-N	-1	3	256.223	3.594	50	30		CHEAHM
CC1=NN([C@H](C#N)c2ccccc2[O-])[C@@H](c2ccccc2)C1	ZINC000012629981	570291273	/nfs/dbraw/zinc/29/12/73/570291273.db2.gz	UHLAYLCGCDNPDG-IAGOWNOFSA-N	-1	3	291.354	3.780	50	30		CHEAHM
[O-]c1ccc(Cl)cc1C=Nc1ccc2c(c1)OCCO2	ZINC000252589146	570375703	/nfs/dbraw/zinc/37/57/03/570375703.db2.gz	AHINMAVDDOJLGK-UHFFFAOYSA-N	-1	3	289.718	3.567	50	30		CHEAHM
[O-]c1ccccc1/C=N/c1ncc(Cl)cc1Cl	ZINC000004773559	170014781	/nfs/dbraw/zinc/01/47/81/170014781.db2.gz	HFOQVUMVRUDHIH-GIDUJCDVSA-N	-1	3	267.115	3.845	50	30		CHEAHM
C=CCc1cccc(C=Nc2ccccc2[O-])c1O	ZINC000254759725	566833680	/nfs/dbraw/zinc/83/36/80/566833680.db2.gz	YFCZBGFJBGKBMI-UHFFFAOYSA-N	-1	3	253.301	3.577	50	30		CHEAHM
CC(=O)c1cc(C(=O)C=Cc2ccc([O-])cc2)c(C)nc1C	ZINC000219596856	566959131	/nfs/dbraw/zinc/95/91/31/566959131.db2.gz	QKPVLCOZOMWWID-TWGQIWQCSA-N	-1	3	295.338	3.503	50	30		CHEAHM
CC(=N[O-])c1ccc(OCc2ccc(C)cc2)cc1	ZINC000242688601	566968071	/nfs/dbraw/zinc/96/80/71/566968071.db2.gz	VUPMGBCXJDFDLS-UHFFFAOYSA-N	-1	3	255.317	3.772	50	30		CHEAHM
N#Cc1cccc(NCc2cc(Cl)ccc2[O-])c1	ZINC000019922226	567125646	/nfs/dbraw/zinc/12/56/46/567125646.db2.gz	ZJCASGSBHJAIBA-UHFFFAOYSA-N	-1	3	258.708	3.529	50	30		CHEAHM
[O-]c1ccc(Cl)cc1/C=N/Cc1cccs1	ZINC000000099805	567818337	/nfs/dbraw/zinc/81/83/37/567818337.db2.gz	ABARQODSRNZHTL-VGOFMYFVSA-N	-1	3	251.738	3.726	50	30		CHEAHM
CCc1nc(C)c(C(=O)[N-]c2nnc(C(C)C)s2)s1	ZINC000050294896	567925632	/nfs/dbraw/zinc/92/56/32/567925632.db2.gz	XGVWIYUYYQGYCF-UHFFFAOYSA-N	-1	3	296.421	3.625	50	30		CHEAHM
Cc1ccc(C)c(NC(=O)C(=O)C=C([O-])c2ccccc2)c1	ZINC000101355140	567940959	/nfs/dbraw/zinc/94/09/59/567940959.db2.gz	GTXYNDHRQUJTTJ-BOPFTXTBSA-N	-1	3	295.338	3.567	50	30		CHEAHM
CCOc1ccc(/C=C\C(=O)c2ccc([O-])c(OC)c2)cc1	ZINC000097993509	1129636071	/nfs/dbraw/zinc/63/60/71/1129636071.db2.gz	ZEYAOKSHMHMAOD-POHAHGRESA-N	-1	3	298.338	3.696	50	30		CHEAHM
COc1cc(C(=O)/C=C\c2cccc(Cl)c2)ccc1[O-]	ZINC000096792750	185114664	/nfs/dbraw/zinc/11/46/64/185114664.db2.gz	BXUZIOGKWBZCGZ-ALCCZGGFSA-N	-1	3	288.730	3.950	50	30		CHEAHM
[O-]c1ccc(Cl)cc1/C=N/Cc1ccc(F)cc1	ZINC000005288102	170083104	/nfs/dbraw/zinc/08/31/04/170083104.db2.gz	MCFIUCONSZHFEM-RQZCQDPDSA-N	-1	3	263.699	3.804	50	30		CHEAHM
C=C(C)CN(CC)Cn1nc(-c2cccs2)[n-]c1=S	ZINC000006482429	170204785	/nfs/dbraw/zinc/20/47/85/170204785.db2.gz	MGORKCFEDMWPTH-UHFFFAOYSA-N	-1	3	294.449	3.525	50	30		CHEAHM
COc1cc(C(=O)/C=C/c2ccc(C)s2)ccc1[O-]	ZINC000006788899	170243984	/nfs/dbraw/zinc/24/39/84/170243984.db2.gz	QMGJAIFBSPJXCE-SOFGYWHQSA-N	-1	3	274.341	3.667	50	30		CHEAHM
O=[N+]([O-])c1ccc(/N=C/c2ccccc2[O-])c(Cl)c1	ZINC000004774957	566912428	/nfs/dbraw/zinc/91/24/28/566912428.db2.gz	CSTFYHVKWCNYHM-OVCLIPMQSA-N	-1	3	276.679	3.704	50	30		CHEAHM
COC(=O)c1ccc(C=Nc2cc(C)c(C)cc2[O-])cc1	ZINC000252626928	567070268	/nfs/dbraw/zinc/07/02/68/567070268.db2.gz	RIKLNEUHOVMJDJ-UHFFFAOYSA-N	-1	3	283.327	3.546	50	30		CHEAHM
CC(=NNc1ccccc1)c1cc(Cl)ccc1[O-]	ZINC000100066983	567217560	/nfs/dbraw/zinc/21/75/60/567217560.db2.gz	JFBPXTKSRDRZFA-MHWRWJLKSA-N	-1	3	260.724	3.882	50	30		CHEAHM
C=CCc1cccc(C=Nc2ccc3[nH]cnc3c2)c1[O-]	ZINC000001233351	567836398	/nfs/dbraw/zinc/83/63/98/567836398.db2.gz	FPFJLAICEVSCHG-VCHYOVAHSA-N	-1	3	277.327	3.748	50	30		CHEAHM
[O-]c1ccccc1/N=C/c1ccc(N2CCCC2)cc1	ZINC000015224833	567870821	/nfs/dbraw/zinc/87/08/21/567870821.db2.gz	XVXUUDORRGUCQI-QGOAFFKASA-N	-1	3	266.344	3.743	50	30		CHEAHM
COc1cccc(/C=N/c2cc(C(C)C)ccc2[O-])c1O	ZINC000095482086	567917021	/nfs/dbraw/zinc/91/70/21/567917021.db2.gz	SDSVPEPNONHXLQ-VCHYOVAHSA-N	-1	3	285.343	3.980	50	30		CHEAHM
[O-]c1ccc(/N=C/c2ccc(Br)cc2)cc1	ZINC000000244623	567925530	/nfs/dbraw/zinc/92/55/30/567925530.db2.gz	LESJEGBXKPKDPV-OQLLNIDSSA-N	-1	3	276.133	3.905	50	30		CHEAHM
COc1cc(C(=O)/C=C\c2sccc2C)ccc1[O-]	ZINC000033523071	1128541590	/nfs/dbraw/zinc/54/15/90/1128541590.db2.gz	GAURCIJUZKEOGK-WAYWQWQTSA-N	-1	3	274.341	3.667	50	30		CHEAHM
O=C1OC(c2ccccc2)N=C1C=Nc1ccccc1[O-]	ZINC000252679161	1117902912	/nfs/dbraw/zinc/90/29/12/1117902912.db2.gz	IRPCEGJWSOWIST-UHFFFAOYSA-N	-1	3	280.283	3.503	50	30		CHEAHM
COc1cc(/C=C\C(=O)c2ccccc2)cc(Cl)c1[O-]	ZINC000096766178	185112209	/nfs/dbraw/zinc/11/22/09/185112209.db2.gz	XJXLWNVWMIVZOT-FPLPWBNLSA-N	-1	3	288.730	3.950	50	30		CHEAHM
O=C(/C=C\c1cccc(Cl)c1)c1cccc([O-])c1	ZINC000096792713	185114399	/nfs/dbraw/zinc/11/43/99/185114399.db2.gz	HWENTGQOATXSPU-FPLPWBNLSA-N	-1	3	258.704	3.942	50	30		CHEAHM
CCc1ccc([O-])c(/N=C/c2ccc([N+](=O)[O-])cc2)c1	ZINC000000050579	169517945	/nfs/dbraw/zinc/51/79/45/169517945.db2.gz	MUSJKMNJOSFSQJ-MHWRWJLKSA-N	-1	3	270.288	3.613	50	30		CHEAHM
O=C(/C=C/c1ccccc1[O-])c1ccc(Cl)cc1	ZINC000004918531	170041227	/nfs/dbraw/zinc/04/12/27/170041227.db2.gz	ZLMXAJNIWFZZSH-JXMROGBWSA-N	-1	3	258.704	3.942	50	30		CHEAHM
CCOc1ccc(C=N[N-]c2nc3ccccc3o2)cc1	ZINC000008323937	170330875	/nfs/dbraw/zinc/33/08/75/170330875.db2.gz	AHWZHRXNYGWLKG-GZTJUZNOSA-N	-1	3	281.315	3.673	50	30		CHEAHM
O=C(/C=C/c1ccnn1C1CCCC1)c1cccc([O-])c1	ZINC000071785158	327105263	/nfs/dbraw/zinc/10/52/63/327105263.db2.gz	NZCQSTBAZCPLJQ-CMDGGOBGSA-N	-1	3	282.343	3.600	50	30		CHEAHM
Cc1cccc(/C=N/c2sc3c(c2C#N)CCC3)c1[O-]	ZINC000004150732	567189277	/nfs/dbraw/zinc/18/92/77/567189277.db2.gz	LAVUQECNIKJUTL-GIJQJNRQSA-N	-1	3	282.368	3.873	50	30		CHEAHM
COc1ccc2nc(/N=C/c3ccccc3[O-])sc2c1	ZINC000001045619	567835866	/nfs/dbraw/zinc/83/58/66/567835866.db2.gz	LZMHYHCFLLVKRO-CXUHLZMHSA-N	-1	3	284.340	3.761	50	30		CHEAHM
CCCOC(=O)c1ccc(/N=C/c2ccccc2[O-])cc1	ZINC000004119263	567855293	/nfs/dbraw/zinc/85/52/93/567855293.db2.gz	GILCEOQXOCQTJY-LDADJPATSA-N	-1	3	283.327	3.710	50	30		CHEAHM
O=C1C=C([O-])C[C@H](c2ccc(Cl)c(Cl)c2)C1	ZINC000004328622	567861861	/nfs/dbraw/zinc/86/18/61/567861861.db2.gz	GUAGWXTVNDXCMH-MRVPVSSYSA-N	-1	3	257.116	3.882	50	30		CHEAHM
O=C1C=C([O-])C[C@@H](c2ccc(Cl)c(Cl)c2)C1	ZINC000004328622	567861863	/nfs/dbraw/zinc/86/18/63/567861863.db2.gz	GUAGWXTVNDXCMH-MRVPVSSYSA-N	-1	3	257.116	3.882	50	30		CHEAHM
CCOc1ccc(C/N=C/c2ccccc2[O-])cc1OCC	ZINC000057411756	567900905	/nfs/dbraw/zinc/90/09/05/567900905.db2.gz	DFXFJVOMKMLNOT-CPNJWEJPSA-N	-1	3	299.370	3.809	50	30		CHEAHM
CCn1cc(C([O-])=C(C#N)c2ccccn2)c2ccccc21	ZINC000049456712	567946771	/nfs/dbraw/zinc/94/67/71/567946771.db2.gz	IWJWZYNIJNQMOV-CQSZACIVSA-N	-1	3	289.338	3.546	50	30		CHEAHM
O=C(/C=C\c1ccccc1Cl)c1cccc([O-])c1	ZINC000096792706	185114267	/nfs/dbraw/zinc/11/42/67/185114267.db2.gz	QNOFSSIICYUGIL-HJWRWDBZSA-N	-1	3	258.704	3.942	50	30		CHEAHM
CCOc1cc(/C=N/[O-])ccc1OCc1ccc(C)cc1	ZINC000013111888	326837445	/nfs/dbraw/zinc/83/74/45/326837445.db2.gz	ORZXAVVYGYBRFH-WOJGMQOQSA-N	-1	3	285.343	3.781	50	30		CHEAHM
N#C[C@H](c1ccccc1[O-])N1CCCC[C@H]1c1cccnc1	ZINC000035946809	566982539	/nfs/dbraw/zinc/98/25/39/566982539.db2.gz	IDQFGKVZIKXFRS-DLBZAZTESA-N	-1	3	293.370	3.579	50	30	biogenic	CHEAHM
O=C1c2cccc([O-])c2C/C1=C/c1csc(C2CC2)n1	ZINC000096291576	567141148	/nfs/dbraw/zinc/14/11/48/567141148.db2.gz	YUFKFJNXGBDADI-POHAHGRESA-N	-1	3	283.352	3.549	50	30		CHEAHM
CCN(CC)c1ccc(/C=N/c2ccccc2C#N)c([O-])c1	ZINC000000095831	567818009	/nfs/dbraw/zinc/81/80/09/567818009.db2.gz	GHOSKFQKLYSZBK-DEDYPNTBSA-N	-1	3	293.370	3.861	50	30		CHEAHM
CCN(CC)c1ccc(/C=N/c2cccc(C#N)c2)c([O-])c1	ZINC000000125261	567819206	/nfs/dbraw/zinc/81/92/06/567819206.db2.gz	ZFQMPLQNASJRAS-DEDYPNTBSA-N	-1	3	293.370	3.861	50	30		CHEAHM
[O-]c1ccc(Cl)cc1/C=N/c1ccc2c(c1)OCCO2	ZINC000000217873	567822673	/nfs/dbraw/zinc/82/26/73/567822673.db2.gz	AHINMAVDDOJLGK-RQZCQDPDSA-N	-1	3	289.718	3.567	50	30		CHEAHM
CSc1ccc(C/N=C/c2ccccc2[O-])cc1	ZINC000057411760	567900899	/nfs/dbraw/zinc/90/08/99/567900899.db2.gz	MXHQDJVWIBSYAW-LFIBNONCSA-N	-1	3	257.358	3.733	50	30		CHEAHM
CCOc1cc(/C=N/[O-])ccc1OCc1ccc(F)cc1	ZINC000100888945	567914067	/nfs/dbraw/zinc/91/40/67/567914067.db2.gz	QJRMVLSNYMICMY-VCHYOVAHSA-N	-1	3	289.306	3.612	50	30		CHEAHM
CCOc1cc(/C=N/[O-])ccc1OCc1ccccc1F	ZINC000100901028	567914132	/nfs/dbraw/zinc/91/41/32/567914132.db2.gz	JPHGKLHUCUXNGO-VCHYOVAHSA-N	-1	3	289.306	3.612	50	30		CHEAHM
CC(=O)C(Sc1nc2ccccc2s1)=C(C)[O-]	ZINC000000127851	567923566	/nfs/dbraw/zinc/92/35/66/567923566.db2.gz	HCYOMIJSYRDYKD-YRNVUSSQSA-N	-1	3	265.359	3.767	50	30		CHEAHM
Cc1ccc2cc(/N=C/c3ccccc3[O-])ccc2n1	ZINC000000254971	567925627	/nfs/dbraw/zinc/92/56/27/567925627.db2.gz	JWYSJICCYMZGTC-WOJGMQOQSA-N	-1	3	262.312	3.999	50	30		CHEAHM
N#Cc1ccccc1[N-]C(=O)c1snc(Cl)c1Cl	ZINC000033963711	570274005	/nfs/dbraw/zinc/27/40/05/570274005.db2.gz	WLPCAERCXQSYLQ-UHFFFAOYSA-N	-1	3	298.154	3.574	50	30	in-vitro	CHEAHM
[O-]c1ccc(/N=C/c2cccn2-c2ccccc2)cc1	ZINC000001096905	570301667	/nfs/dbraw/zinc/30/16/67/570301667.db2.gz	RLEBPQLNDHVIPN-QGOAFFKASA-N	-1	3	262.312	3.934	50	30		CHEAHM
COc1ccc([O-])c(/C=N/c2sc(C)c(C)c2C#N)c1	ZINC000013130827	570360557	/nfs/dbraw/zinc/36/05/57/570360557.db2.gz	CIEPWXMKBGEIJV-CAOOACKPSA-N	-1	3	286.356	3.701	50	30		CHEAHM
[O-]c1ccc2oc3c(c2c1C=NN1CCCCC1)CCCC3	ZINC000254484154	1129696882	/nfs/dbraw/zinc/69/68/82/1129696882.db2.gz	AHUHFXVHDXJDMX-UHFFFAOYSA-N	-1	3	298.386	3.837	50	30		CHEAHM
COc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(OC)c1[O-]	ZINC000005839288	170146385	/nfs/dbraw/zinc/14/63/85/170146385.db2.gz	PTQZPYCAVDTMQZ-RMKNXTFCSA-N	-1	3	298.338	3.614	50	30		CHEAHM
C=C(C)COc1ccccc1C(=O)Nc1ccccc1[O-]	ZINC000009877536	170388485	/nfs/dbraw/zinc/38/84/85/170388485.db2.gz	QANVPBDBNOTLOU-UHFFFAOYSA-N	-1	3	283.327	3.599	50	30		CHEAHM
CCCc1noc2c1/C(=N\[O-])C[C@@H](C[C@@H](C)SCC)C2	ZINC000013154762	170537501	/nfs/dbraw/zinc/53/75/01/170537501.db2.gz	WVAQCLFHSSAAFE-ARXFZMKXSA-N	-1	3	296.436	3.900	50	30		CHEAHM
N#C[C@H](c1ccccc1[O-])N1CCCC[C@@H]1c1cccnc1	ZINC000020112723	170997775	/nfs/dbraw/zinc/99/77/75/170997775.db2.gz	IDQFGKVZIKXFRS-IAGOWNOFSA-N	-1	3	293.370	3.579	50	30	biogenic	CHEAHM
CC(C)Oc1ccc(C/N=C/c2ccccc2[O-])cc1	ZINC000057411857	567156228	/nfs/dbraw/zinc/15/62/28/567156228.db2.gz	YUKOJZKZDGZABM-LDADJPATSA-N	-1	3	269.344	3.799	50	30		CHEAHM
[O-]c1ccc(Br)cc1/C=N/Cc1ccccc1	ZINC000000046165	567816857	/nfs/dbraw/zinc/81/68/57/567816857.db2.gz	SJEGBGIPJQOGGF-MHWRWJLKSA-N	-1	3	290.160	3.774	50	30		CHEAHM
C/C(=N\CCc1c[nH]c2ccccc12)c1ccccc1[O-]	ZINC000000099882	567818195	/nfs/dbraw/zinc/81/81/95/567818195.db2.gz	ZWJMBJLWLVQRKH-CPNJWEJPSA-N	-1	3	278.355	3.925	50	30		CHEAHM
CCCCc1noc2c1/C(=N\[O-])C[C@@H](c1ccccc1)C2	ZINC000013116589	567864737	/nfs/dbraw/zinc/86/47/37/567864737.db2.gz	DDYXNPSRXOROOT-ZLMULJHYSA-N	-1	3	284.359	3.926	50	30		CHEAHM
COc1cc(/C=N\[O-])ccc1OCc1ccc(Cl)cc1	ZINC000018136537	567876435	/nfs/dbraw/zinc/87/64/35/567876435.db2.gz	GOJBOTXFJSHHLA-MFOYZWKCSA-N	-1	3	291.734	3.736	50	30		CHEAHM
O=C(/C=C/c1cc(Cl)ccc1[O-])c1ccccc1	ZINC000072333043	567894903	/nfs/dbraw/zinc/89/49/03/567894903.db2.gz	BWEFKSRPZNPPEH-SOFGYWHQSA-N	-1	3	258.704	3.942	50	30		CHEAHM
CSC(=Nc1ccccc1)NN=Cc1ccccc1[O-]	ZINC000004635931	567897338	/nfs/dbraw/zinc/89/73/38/567897338.db2.gz	JLNIRHVYXIJJQR-LFIBNONCSA-N	-1	3	285.372	3.557	50	30		CHEAHM
Cc1cc(NN=Cc2ccccc2[O-])nc2ccccc12	ZINC000004688112	567901801	/nfs/dbraw/zinc/90/18/01/567901801.db2.gz	FBFCGDAMQYXTIH-WOJGMQOQSA-N	-1	3	277.327	3.695	50	30		CHEAHM
CCCc1noc2c1/C(=N\[O-])C[C@H](C[C@H](C)SCC)C2	ZINC000100525979	567913442	/nfs/dbraw/zinc/91/34/42/567913442.db2.gz	WVAQCLFHSSAAFE-TXDDRFEGSA-N	-1	3	296.436	3.900	50	30		CHEAHM
[O-]/N=C1\C=C(c2ccccc2)/C(=N\O)C=C1c1ccccc1	ZINC000102311608	567915377	/nfs/dbraw/zinc/91/53/77/567915377.db2.gz	HSLFFQCWVDTMOX-YAFCTCPESA-N	-1	3	290.322	3.828	50	30		CHEAHM
[O-]/N=C1/C=C(c2ccccc2)/C(=N/O)C=C1c1ccccc1	ZINC000102311608	567915378	/nfs/dbraw/zinc/91/53/78/567915378.db2.gz	HSLFFQCWVDTMOX-YAFCTCPESA-N	-1	3	290.322	3.828	50	30		CHEAHM
O=C1C=C([O-])C[C@H](c2cccc(C(F)(F)F)c2)C1	ZINC000138735993	567931137	/nfs/dbraw/zinc/93/11/37/567931137.db2.gz	VTLOBHLHXMJGIL-SECBINFHSA-N	-1	3	256.223	3.594	50	30		CHEAHM
O=C1C=C([O-])C[C@@H](c2cccc(C(F)(F)F)c2)C1	ZINC000138735993	567931138	/nfs/dbraw/zinc/93/11/38/567931138.db2.gz	VTLOBHLHXMJGIL-SECBINFHSA-N	-1	3	256.223	3.594	50	30		CHEAHM
CCN(CC)c1ccc(C=Nc2ccccc2)c([O-])c1	ZINC000252461675	570270375	/nfs/dbraw/zinc/27/03/75/570270375.db2.gz	NJVXPGOKQZBFPC-UHFFFAOYSA-N	-1	3	268.360	3.989	50	30		CHEAHM
O=C(C=C([O-])C=Cc1ccccc1)C(Cl)(Cl)Cl	ZINC000107444081	1121114643	/nfs/dbraw/zinc/11/46/43/1121114643.db2.gz	BHRRKMQDBYZODO-VOTSOKGWSA-N	-1	3	291.561	3.598	50	30		CHEAHM
CCOc1ccccc1/C=C\C(=O)c1ccc([O-])c(OC)c1	ZINC000096792751	230386079	/nfs/dbraw/zinc/38/60/79/230386079.db2.gz	HUZGIMXHGCSLTR-NTMALXAHSA-N	-1	3	298.338	3.696	50	30		CHEAHM
C[C@@H]1CCc2c(C#N)c([N-]C(=O)c3ccco3)sc2C1	ZINC000000156851	169557515	/nfs/dbraw/zinc/55/75/15/169557515.db2.gz	CYWBLGQKVJJXCL-SECBINFHSA-N	-1	3	286.356	3.590	50	30		CHEAHM
Cc1ccc(-c2csc(=NN=Cc3ccco3)[n-]2)cc1	ZINC000004985243	170049044	/nfs/dbraw/zinc/04/90/44/170049044.db2.gz	FTSQGEWZFGNMEQ-CXUHLZMHSA-N	-1	3	283.356	3.579	50	30		CHEAHM
CC(C)(C)c1ccc([O-])c(NC(=O)c2cccc(C#N)c2)c1	ZINC000021006546	171285068	/nfs/dbraw/zinc/28/50/68/171285068.db2.gz	ZDNMGXNBXOIPQL-UHFFFAOYSA-N	-1	3	294.354	3.814	50	30		CHEAHM
O=C1c2cc(Cl)ccc2O/C1=C/c1ccc([O-])cc1	ZINC000075284359	566941209	/nfs/dbraw/zinc/94/12/09/566941209.db2.gz	HEWGEPRUVCNWBS-VGOFMYFVSA-N	-1	3	272.687	3.662	50	30		CHEAHM
N#Cc1c2c(sc1N=Cc1cccc([O-])c1)CCCC2	ZINC000252627867	567069684	/nfs/dbraw/zinc/06/96/84/567069684.db2.gz	SDBMFLSVHJDEEE-UHFFFAOYSA-N	-1	3	282.368	3.955	50	30		CHEAHM
Cc1nn(C)c(C)c1N=Cc1c([O-])ccc2ccccc21	ZINC000252627678	567069958	/nfs/dbraw/zinc/06/99/58/567069958.db2.gz	RZIALXYIRNOGAQ-UHFFFAOYSA-N	-1	3	279.343	3.646	50	30		CHEAHM
C[C@H](CCc1ccccc1)/N=C/c1ccccc1[O-]	ZINC000057411838	567156516	/nfs/dbraw/zinc/15/65/16/567156516.db2.gz	VCYKLZPEKINGBD-QFGUUYLXSA-N	-1	3	253.345	3.832	50	30		CHEAHM
C=CCc1cccc(/C=N/c2ccc3nccnc3c2)c1[O-]	ZINC000000492840	567832912	/nfs/dbraw/zinc/83/29/12/567832912.db2.gz	UMVMEHSXZQMRKX-CIAFOILYSA-N	-1	3	289.338	3.815	50	30		CHEAHM
CCCCCCCCc1c(C)[nH]c(=S)[n-]c1=O	ZINC000002861257	567849907	/nfs/dbraw/zinc/84/99/07/567849907.db2.gz	ABHQPVVOIAYLIM-UHFFFAOYSA-N	-1	3	254.399	3.644	50	30		CHEAHM
C/C(=N\[O-])c1ccc(NC(=O)Nc2ccccc2)cc1	ZINC000019509951	567877858	/nfs/dbraw/zinc/87/78/58/567877858.db2.gz	MNFHPLAACXQPQT-WOJGMQOQSA-N	-1	3	269.304	3.529	50	30		CHEAHM
CC(C)(C)c1ccc(-c2nn(CCC#N)cc2/C=N/[O-])cc1	ZINC000002820338	567887985	/nfs/dbraw/zinc/88/79/85/567887985.db2.gz	HKVLNJGQXLNCLL-YBFXNURJSA-N	-1	3	296.374	3.569	50	30		CHEAHM
CC(C)(C)C(=O)C=C([O-])C(F)(F)C(F)(F)C(F)(F)F	ZINC000004807294	170019979	/nfs/dbraw/zinc/01/99/79/170019979.db2.gz	GCTMXWUUEYFTEL-PLNGDYQASA-N	-1	3	296.182	3.876	50	30		CHEAHM
CC(C)(C)C([O-])=CC(=O)C(F)(F)C(F)(F)C(F)(F)F	ZINC000004807294	170019981	/nfs/dbraw/zinc/01/99/81/170019981.db2.gz	GCTMXWUUEYFTEL-PLNGDYQASA-N	-1	3	296.182	3.876	50	30		CHEAHM
COc1ccc(Cl)cc1/N=C/c1ccccc1[O-]	ZINC000005286881	170083309	/nfs/dbraw/zinc/08/33/09/170083309.db2.gz	YUHMMUNOYOZEMY-CXUHLZMHSA-N	-1	3	261.708	3.805	50	30		CHEAHM
COc1cc(C(=O)/C=C/c2ccc(C)cc2C)ccc1[O-]	ZINC000008322741	170331058	/nfs/dbraw/zinc/33/10/58/170331058.db2.gz	RXUPUWRXOUAWDI-SOFGYWHQSA-N	-1	3	282.339	3.914	50	30		CHEAHM
CCS[C@H](C)C[C@@H]1Cc2onc(CC)c2/C(=N\[O-])C1	ZINC000100447722	529222951	/nfs/dbraw/zinc/22/29/51/529222951.db2.gz	KQTKQKSKKRBLDB-ULVWRBEMSA-N	-1	3	282.409	3.509	50	30		CHEAHM
[O-]N=C(CCCC(=NO)c1ccccc1)c1ccccc1	ZINC000252598467	567066049	/nfs/dbraw/zinc/06/60/49/567066049.db2.gz	DBDXFVQEDYGQDW-UHFFFAOYSA-N	-1	3	282.343	3.914	50	30		CHEAHM
CC(=O)Nc1nnc(SCc2cccc3ccccc32)[n-]1	ZINC000002451027	567115862	/nfs/dbraw/zinc/11/58/62/567115862.db2.gz	RLINZLNCPQHPID-UHFFFAOYSA-N	-1	3	298.371	3.858	50	30	aggregator	CHEAHM
CC(=O)Nc1nc(SCc2cccc3ccccc32)n[n-]1	ZINC000002451027	567115866	/nfs/dbraw/zinc/11/58/66/567115866.db2.gz	RLINZLNCPQHPID-UHFFFAOYSA-N	-1	3	298.371	3.858	50	30	aggregator	CHEAHM
CC(=O)Nc1n[n-]c(SCc2cccc3ccccc32)n1	ZINC000002451027	567115873	/nfs/dbraw/zinc/11/58/73/567115873.db2.gz	RLINZLNCPQHPID-UHFFFAOYSA-N	-1	3	298.371	3.858	50	30	aggregator	CHEAHM
Cc1ccc(C(=O)/C=C/c2ccccc2[O-])c(C)c1	ZINC000016957442	567874337	/nfs/dbraw/zinc/87/43/37/567874337.db2.gz	UURALUILAZJMAY-CSKARUKUSA-N	-1	3	252.313	3.905	50	30		CHEAHM
C/C(=N\[O-])c1ccc(OCc2ccc(F)cc2)cc1	ZINC000019809191	567879176	/nfs/dbraw/zinc/87/91/76/567879176.db2.gz	DVFHLLSPLNIERZ-GZTJUZNOSA-N	-1	3	259.280	3.603	50	30		CHEAHM
O=C1c2ccccc2S/C1=C/c1ccc([O-])cc1	ZINC000013616149	567892866	/nfs/dbraw/zinc/89/28/66/567892866.db2.gz	BHYUBYSOQLBDOH-NTEUORMPSA-N	-1	3	254.310	3.722	50	30		CHEAHM
COc1ccc(/C=N/c2ccc(C)c(C)c2)cc1[O-]	ZINC000000062717	567906584	/nfs/dbraw/zinc/90/65/84/567906584.db2.gz	XGOAUTQWMQOUJI-LICLKQGHSA-N	-1	3	255.317	3.768	50	30		CHEAHM
CCOc1ccc(/N=C(\C)c2ccccc2[O-])cc1	ZINC000100345026	567912811	/nfs/dbraw/zinc/91/28/11/567912811.db2.gz	VWTJQBPDALEPKS-SFQUDFHCSA-N	-1	3	255.317	3.932	50	30		CHEAHM
Cn1c2ccccc2nc1/N=C/c1cc(Cl)ccc1[O-]	ZINC000100702100	567913709	/nfs/dbraw/zinc/91/37/09/567913709.db2.gz	KPUBDHDVEHKRHA-RQZCQDPDSA-N	-1	3	285.734	3.683	50	30		CHEAHM
[O-]c1ccccc1/N=C/c1c(Cl)nc2sccn12	ZINC000100334806	570267076	/nfs/dbraw/zinc/26/70/76/570267076.db2.gz	HYCBTUAGYVZECV-VGOFMYFVSA-N	-1	3	277.736	3.505	50	30		CHEAHM
CCOc1ccc(N=C(C)c2ccccc2[O-])cc1	ZINC000252632785	570376407	/nfs/dbraw/zinc/37/64/07/570376407.db2.gz	VWTJQBPDALEPKS-UHFFFAOYSA-N	-1	3	255.317	3.932	50	30		CHEAHM
CCN(CC)c1ccc(C=[NH+][N-]c2cccc(C)c2)c([O-])c1	ZINC000254482527	1127100290	/nfs/dbraw/zinc/10/02/90/1127100290.db2.gz	UJOCDIJCGVFGHE-UHFFFAOYSA-N	-1	3	297.402	3.993	50	30	aggregator	CHEAHM
COc1cc(/C=C/C(=O)c2ccc(C)o2)cc(Cl)c1[O-]	ZINC000014198345	1120329222	/nfs/dbraw/zinc/32/92/22/1120329222.db2.gz	UZBSCOUUPHLFIW-SNAWJCMRSA-N	-1	3	292.718	3.852	50	30		CHEAHM
Cc1ccc(/N=C/c2c([O-])ccc3ccccc32)nc1	ZINC000096576793	230385837	/nfs/dbraw/zinc/38/58/37/230385837.db2.gz	VIKWCECQLQVWHC-YBFXNURJSA-N	-1	3	262.312	3.999	50	30		CHEAHM
COc1cc(C(=O)/C=C\c2ccc(Cl)cc2)ccc1[O-]	ZINC000096792745	185115040	/nfs/dbraw/zinc/11/50/40/185115040.db2.gz	REMYTIQITMSNEO-YWEYNIOJSA-N	-1	3	288.730	3.950	50	30		CHEAHM
CC1=NN([C@@H](C#N)c2ccccc2[O-])[C@H](c2ccccc2)C1	ZINC000004698654	170001034	/nfs/dbraw/zinc/00/10/34/170001034.db2.gz	UHLAYLCGCDNPDG-IRXDYDNUSA-N	-1	3	291.354	3.780	50	30		CHEAHM
N#Cc1ccsc1[N-]C(=O)c1c(F)cccc1Cl	ZINC000004749626	170011401	/nfs/dbraw/zinc/01/14/01/170011401.db2.gz	DKTKCUDXAZKIJL-UHFFFAOYSA-N	-1	3	280.711	3.665	50	30		CHEAHM
O=C(/C=C/c1ccc(F)c(F)c1)c1cccc([O-])c1	ZINC000008322413	170331140	/nfs/dbraw/zinc/33/11/40/170331140.db2.gz	JZTHGMXTYYBKAB-FNORWQNLSA-N	-1	3	260.239	3.567	50	30		CHEAHM
O=C(/C=C\c1ccc(Cl)cc1)c1cccc([O-])c1	ZINC000035317681	172122581	/nfs/dbraw/zinc/12/25/81/172122581.db2.gz	CJOVLNZNTALCJV-TWGQIWQCSA-N	-1	3	258.704	3.942	50	30		CHEAHM
CCCCCCCc1c(C)nc(N2CCCCC2)[n-]c1=O	ZINC000033353694	326856072	/nfs/dbraw/zinc/85/60/72/326856072.db2.gz	ZNRXNUUVCYTQPW-UHFFFAOYSA-N	-1	3	291.439	3.582	50	30		CHEAHM
O=C1c2cccc(Cl)c2O/C1=C\c1ccc([O-])cc1	ZINC000299738150	329529381	/nfs/dbraw/zinc/52/93/81/329529381.db2.gz	BXSDVASPAYIAMJ-JYRVWZFOSA-N	-1	3	272.687	3.662	50	30		CHEAHM
O=[N+]([O-])c1cc(/C=N/c2ccccc2[O-])ccc1Cl	ZINC000000502662	566909302	/nfs/dbraw/zinc/90/93/02/566909302.db2.gz	POXQVVGLROFJDD-OVCLIPMQSA-N	-1	3	276.679	3.704	50	30		CHEAHM
Cc1ccc2cc(/N=C/c3ccc([O-])cc3)ccc2n1	ZINC000004135344	567189627	/nfs/dbraw/zinc/18/96/27/567189627.db2.gz	XSVXKLHDYPMDEX-WOJGMQOQSA-N	-1	3	262.312	3.999	50	30		CHEAHM
COc1cccc(/C=N/c2sc3c(c2C#N)CCC3)c1[O-]	ZINC000004150735	567190682	/nfs/dbraw/zinc/19/06/82/567190682.db2.gz	JDXQTZXDJDGKOK-GIJQJNRQSA-N	-1	3	298.367	3.573	50	30		CHEAHM
O=[N+]([O-])c1ccc(Cl)c(/C=N/c2ccccc2[O-])c1	ZINC000000046297	567817039	/nfs/dbraw/zinc/81/70/39/567817039.db2.gz	BBTQEUFQFVMZBQ-OVCLIPMQSA-N	-1	3	276.679	3.704	50	30		CHEAHM
[O-]c1ccccc1C=NNc1cccc(C(F)(F)F)c1	ZINC000004323699	567857052	/nfs/dbraw/zinc/85/70/52/567857052.db2.gz	NIIXFWLTPFIGCL-GIJQJNRQSA-N	-1	3	280.249	3.857	50	30		CHEAHM
CCCc1noc2c1/C(=N\[O-])C[C@H](C[C@@H](C)SCC)C2	ZINC000013154761	567865117	/nfs/dbraw/zinc/86/51/17/567865117.db2.gz	WVAQCLFHSSAAFE-SFZWNRONSA-N	-1	3	296.436	3.900	50	30		CHEAHM
[O-]c1ccc(Br)cc1/C=N/c1ccccc1	ZINC000017023268	567874461	/nfs/dbraw/zinc/87/44/61/567874461.db2.gz	UBWNXKBHOIRKNG-OQLLNIDSSA-N	-1	3	276.133	3.905	50	30		CHEAHM
COc1ccc(/C=N/c2ccc(C)cc2C)cc1[O-]	ZINC000000062721	567906653	/nfs/dbraw/zinc/90/66/53/567906653.db2.gz	VOHLNKFAYVLQGG-LICLKQGHSA-N	-1	3	255.317	3.768	50	30		CHEAHM
Cc1ccccc1/C=C1/Cc2c(cccc2[O-])C1=O	ZINC000096931927	185132415	/nfs/dbraw/zinc/13/24/15/185132415.db2.gz	BYDHUOKHRIRHPN-LCYFTJDESA-N	-1	3	250.297	3.523	50	30		CHEAHM
[O-]/N=C(\Nc1ccccc1Cl)c1c(F)cccc1F	ZINC000013146763	567865324	/nfs/dbraw/zinc/86/53/24/567865324.db2.gz	VZCHIUNIBJEORU-UHFFFAOYSA-N	-1	3	282.677	3.866	50	30		CHEAHM
COc1cc(/C=N/[O-])ccc1OCc1ccccc1Cl	ZINC000100115284	567912222	/nfs/dbraw/zinc/91/22/22/567912222.db2.gz	KRTDFHGFQAZYDV-RQZCQDPDSA-N	-1	3	291.734	3.736	50	30		CHEAHM
O=C1C=C([O-])C[C@@H](c2ccc(Cl)c(Cl)c2)C1	ZINC000084460128	567915349	/nfs/dbraw/zinc/91/53/49/567915349.db2.gz	GUAGWXTVNDXCMH-QMMMGPOBSA-N	-1	3	257.116	3.882	50	30		CHEAHM
O=C1C=C([O-])C[C@H](c2ccc(Cl)c(Cl)c2)C1	ZINC000084460128	567915350	/nfs/dbraw/zinc/91/53/50/567915350.db2.gz	GUAGWXTVNDXCMH-QMMMGPOBSA-N	-1	3	257.116	3.882	50	30		CHEAHM
CCOc1cc(/C=C/C(=O)c2cccc([O-])c2)ccc1OC	ZINC000008322423	567933139	/nfs/dbraw/zinc/93/31/39/567933139.db2.gz	DBFGENAPEQYTQV-VQHVLOKHSA-N	-1	3	298.338	3.696	50	30		CHEAHM
CC(C)(C)C(=O)C=C([O-])C(F)(F)C(F)(F)C(F)(F)F	ZINC000101147854	1128160681	/nfs/dbraw/zinc/16/06/81/1128160681.db2.gz	DCPYXGMLIRLWSP-XQRVVYSFSA-N	-1	3	296.182	3.876	50	30		CHEAHM
CC(C)(C)C([O-])=CC(=O)C(F)(F)C(F)(F)C(F)(F)F	ZINC000101147854	1128160683	/nfs/dbraw/zinc/16/06/83/1128160683.db2.gz	DCPYXGMLIRLWSP-XQRVVYSFSA-N	-1	3	296.182	3.876	50	30		CHEAHM
COc1cc(C(=O)/C=C\c2ccc(C)s2)ccc1[O-]	ZINC000096551532	1129541578	/nfs/dbraw/zinc/54/15/78/1129541578.db2.gz	QMGJAIFBSPJXCE-VURMDHGXSA-N	-1	3	274.341	3.667	50	30		CHEAHM
COc1cc(/C=C\C(=O)c2ccc(C)o2)cc(Cl)c1[O-]	ZINC000096920982	185129826	/nfs/dbraw/zinc/12/98/26/185129826.db2.gz	UZBSCOUUPHLFIW-PLNGDYQASA-N	-1	3	292.718	3.852	50	30		CHEAHM
Cc1cccc(/N=C/c2cc(Br)ccc2[O-])n1	ZINC000000126805	169545412	/nfs/dbraw/zinc/54/54/12/169545412.db2.gz	ZXINBANGDJRFHU-OVCLIPMQSA-N	-1	3	291.148	3.609	50	30		CHEAHM
Cc1sc([N-]C(=O)c2c(F)cccc2F)c(C#N)c1C	ZINC000001055371	169687844	/nfs/dbraw/zinc/68/78/44/169687844.db2.gz	UGYFZOJEZAQQHF-UHFFFAOYSA-N	-1	3	292.310	3.767	50	30		CHEAHM
CCOc1ccc(C(=O)/C=C/c2ccccc2[O-])cc1	ZINC000004899043	170037781	/nfs/dbraw/zinc/03/77/81/170037781.db2.gz	LTJWASRDBGNMLW-FMIVXFBMSA-N	-1	3	268.312	3.687	50	30		CHEAHM
COc1cc(C=N[O-])ccc1OCc1ccccc1Cl	ZINC000250379602	567020660	/nfs/dbraw/zinc/02/06/60/567020660.db2.gz	KRTDFHGFQAZYDV-UHFFFAOYSA-N	-1	3	291.734	3.736	50	30		CHEAHM
CCOc1ccc(C=Nc2ccc(C)cc2[O-])cc1	ZINC000252460097	567051924	/nfs/dbraw/zinc/05/19/24/567051924.db2.gz	BOUCTFGOPKWABW-UHFFFAOYSA-N	-1	3	255.317	3.850	50	30		CHEAHM
C=CCc1cccc(C=Nc2ccc(OC)cc2)c1[O-]	ZINC000252622990	567068098	/nfs/dbraw/zinc/06/80/98/567068098.db2.gz	OHKCULRKAAGLNU-UHFFFAOYSA-N	-1	3	267.328	3.880	50	30		CHEAHM
CC(C)N(N=Cc1c([O-])ccc2ccccc21)C(C)C	ZINC000252616900	567068205	/nfs/dbraw/zinc/06/82/05/567068205.db2.gz	KIBMXQPQLKGDKO-UHFFFAOYSA-N	-1	3	270.376	3.998	50	30		CHEAHM
C=CCc1cccc(C=Nc2nc3ccccc3n2C)c1[O-]	ZINC000252620894	567068486	/nfs/dbraw/zinc/06/84/86/567068486.db2.gz	MOPLRSKFMKYUKE-UHFFFAOYSA-N	-1	3	291.354	3.758	50	30		CHEAHM
[O-]c1ccccc1/C=N/CCc1ccc(Cl)cc1	ZINC000057411826	567156582	/nfs/dbraw/zinc/15/65/82/567156582.db2.gz	NHZWJJBQEUGJJS-GZTJUZNOSA-N	-1	3	259.736	3.707	50	30		CHEAHM
O=[N+]([O-])c1ccc(Cl)c(/C=N/c2ccc([O-])cc2)c1	ZINC000000292466	567824336	/nfs/dbraw/zinc/82/43/36/567824336.db2.gz	HWFHOBDJUSBEPD-OVCLIPMQSA-N	-1	3	276.679	3.704	50	30		CHEAHM
[O-]c1ccc(/C=N/c2ccc(Br)cc2)cc1	ZINC000000498030	567833033	/nfs/dbraw/zinc/83/30/33/567833033.db2.gz	SAEGKEGVAOXMDI-OQLLNIDSSA-N	-1	3	276.133	3.905	50	30		CHEAHM
Cc1ccc(C([O-])=Cc2nc3ccccc3[nH]c2=O)cc1	ZINC000012447535	567863653	/nfs/dbraw/zinc/86/36/53/567863653.db2.gz	JMESLTJTWQGOBD-GDNBJRDFSA-N	-1	3	278.311	3.775	50	30		CHEAHM
[O-]c1ccc(Cl)cc1/C=N/CCc1ccccc1	ZINC000100290569	567912683	/nfs/dbraw/zinc/91/26/83/567912683.db2.gz	BVBFOUQMCJEBKN-GZTJUZNOSA-N	-1	3	259.736	3.707	50	30		CHEAHM
Cc1cccc(N([O-])C(=O)/C=C/c2ccccc2)c1C	ZINC000002522776	567944220	/nfs/dbraw/zinc/94/42/20/567944220.db2.gz	SLIQYZYALKWWAT-VAWYXSNFSA-N	-1	3	267.328	3.739	50	30		CHEAHM
O=C(/C=C/c1ccccc1[O-])c1ccccc1OC(F)F	ZINC000051330027	567944618	/nfs/dbraw/zinc/94/46/18/567944618.db2.gz	ZKEOKRAAYOUXDW-MDZDMXLPSA-N	-1	3	290.265	3.890	50	30		CHEAHM
N#CC(=C([O-])c1ccsc1)c1ccc(C(F)(F)F)cn1	ZINC000041554549	570404128	/nfs/dbraw/zinc/40/41/28/570404128.db2.gz	YWGZYVKYFDXTOW-JTQLQIEISA-N	-1	3	296.273	3.652	50	30		CHEAHM
CCOc1ccc(/C=C\C(=O)c2cccc([O-])c2)cc1	ZINC000096792660	185114580	/nfs/dbraw/zinc/11/45/80/185114580.db2.gz	RUOLPVLVNKGHPV-FLIBITNWSA-N	-1	3	268.312	3.687	50	30		CHEAHM
Cc1ccsc1/C=C1/Cc2c(cccc2[O-])C1=O	ZINC000096931923	185131781	/nfs/dbraw/zinc/13/17/81/185131781.db2.gz	TYCZBRXGDSHMER-NTMALXAHSA-N	-1	3	256.326	3.585	50	30		CHEAHM
CCOc1cccc(/C=N/c2cc(C)c(C)cc2[O-])c1O	ZINC000102414138	185777069	/nfs/dbraw/zinc/77/70/69/185777069.db2.gz	ZTEAKRJOFGZZOO-VCHYOVAHSA-N	-1	3	285.343	3.864	50	30		CHEAHM
COc1ccc([C@H]2C[C@H]2/C(=N/[O-])c2ccccc2)cc1	ZINC000005527102	170108692	/nfs/dbraw/zinc/10/86/92/170108692.db2.gz	SVZRWBOWZMYECF-OOOBVYKPSA-N	-1	3	267.328	3.677	50	30		CHEAHM
C/C(=N\[O-])c1ccc(OCc2cccc(C)c2)cc1	ZINC000020006351	260115754	/nfs/dbraw/zinc/11/57/54/260115754.db2.gz	WSCAIHOZSKTGJO-GHRIWEEISA-N	-1	3	255.317	3.772	50	30		CHEAHM
Cc1sc([N-]C(=O)c2ccc(Cl)o2)c(C#N)c1C	ZINC000013012654	566957775	/nfs/dbraw/zinc/95/77/75/566957775.db2.gz	SKZGTNKKODNNEE-UHFFFAOYSA-N	-1	3	280.736	3.735	50	30		CHEAHM
Cc1[nH]nc(N=Cc2ccccc2[O-])c1-c1ccccc1	ZINC000252605375	567065290	/nfs/dbraw/zinc/06/52/90/567065290.db2.gz	GJZJUFRNCDUJKW-UHFFFAOYSA-N	-1	3	277.327	3.841	50	30		CHEAHM
[O-]c1ccc2ccccc2c1/C=N/c1ccc(CCO)cc1	ZINC000000230437	567822489	/nfs/dbraw/zinc/82/24/89/567822489.db2.gz	FNLJRXGUQPEDQP-DEDYPNTBSA-N	-1	3	291.350	3.831	50	30		CHEAHM
C=CCc1cccc(/C=N/c2ncccc2C)c1[O-]	ZINC000015637016	567886963	/nfs/dbraw/zinc/88/69/63/567886963.db2.gz	HNNIZZUCVYXCBT-WOJGMQOQSA-N	-1	3	252.317	3.575	50	30		CHEAHM
N#Cc1ccsc1[N-]C(=O)c1cc(F)c(F)cc1Cl	ZINC000014626687	567922887	/nfs/dbraw/zinc/92/28/87/567922887.db2.gz	SGACCURESXSWGH-UHFFFAOYSA-N	-1	3	298.701	3.804	50	30		CHEAHM
CCN(CC)c1ccc(/N=C/c2ccccc2[O-])cc1	ZINC000000226972	567925377	/nfs/dbraw/zinc/92/53/77/567925377.db2.gz	FYPAZVDPPWQSGX-QGOAFFKASA-N	-1	3	268.360	3.989	50	30		CHEAHM
COc1cc(C(=O)/C=C\c2ccc(C)cc2C)ccc1[O-]	ZINC000096792760	185114844	/nfs/dbraw/zinc/11/48/44/185114844.db2.gz	RXUPUWRXOUAWDI-VURMDHGXSA-N	-1	3	282.339	3.914	50	30		CHEAHM
[O-]c1ccc2ccccc2c1/C=N/c1nccs1	ZINC000100287771	566917484	/nfs/dbraw/zinc/91/74/84/566917484.db2.gz	RPRCLWZSHQECQD-CXUHLZMHSA-N	-1	3	254.314	3.753	50	30		CHEAHM
COc1cccc(N=Cc2ccc3ncccc3c2)c1[O-]	ZINC000252625650	567067479	/nfs/dbraw/zinc/06/74/79/567067479.db2.gz	QOKFBDMXLYCWDR-UHFFFAOYSA-N	-1	3	278.311	3.700	50	30		CHEAHM
C[C@@H]1Oc2ccccc2C=C1/C=C/C(=O)c1cccc([O-])c1	ZINC000012892259	567116563	/nfs/dbraw/zinc/11/65/63/567116563.db2.gz	SKOSFKFNBCGVID-LXKVQUBZSA-N	-1	3	292.334	3.996	50	30	biogenic	CHEAHM
O=C(/C=C/C1=Cc2ccccc2OC1)c1cccc([O-])c1	ZINC000012896754	567116738	/nfs/dbraw/zinc/11/67/38/567116738.db2.gz	JYFUKVJDNKXALS-CMDGGOBGSA-N	-1	3	278.307	3.607	50	30	biogenic	CHEAHM
CCOc1ccc(/C=N/c2ccc(C)cc2[O-])cc1	ZINC000000065799	567817339	/nfs/dbraw/zinc/81/73/39/567817339.db2.gz	BOUCTFGOPKWABW-GZTJUZNOSA-N	-1	3	255.317	3.850	50	30		CHEAHM
[O-]c1ccccc1/C=N/Cc1cccc(Br)c1	ZINC000057411783	567901097	/nfs/dbraw/zinc/90/10/97/567901097.db2.gz	NQWOOLZOGTVVAI-MHWRWJLKSA-N	-1	3	290.160	3.774	50	30		CHEAHM
CCS[C@@H](C)C[C@H]1Cc2onc(CC)c2/C(=N\[O-])C1	ZINC000100551863	567913418	/nfs/dbraw/zinc/91/34/18/567913418.db2.gz	KQTKQKSKKRBLDB-ASYFJWBASA-N	-1	3	282.409	3.509	50	30		CHEAHM
Cc1cc2c(c([O-])c1)C(=O)/C(=C/c1ccc(Cl)cc1)O2	ZINC000011865209	567928518	/nfs/dbraw/zinc/92/85/18/567928518.db2.gz	ICDWTGUAGJWIGN-ZSOIEALJSA-N	-1	3	286.714	3.970	50	30	biogenic	CHEAHM
CCn1cc(C([O-])=C(C#N)c2ccccn2)c2ccccc21	ZINC000049456711	567946739	/nfs/dbraw/zinc/94/67/39/567946739.db2.gz	IWJWZYNIJNQMOV-AWEZNQCLSA-N	-1	3	289.338	3.546	50	30		CHEAHM
C[C@H]1CCc2c(C#N)c([N-]C(=O)c3ccco3)sc2C1	ZINC000000156848	570386852	/nfs/dbraw/zinc/38/68/52/570386852.db2.gz	CYWBLGQKVJJXCL-VIFPVBQESA-N	-1	3	286.356	3.590	50	30		CHEAHM
COc1ccc([C@@H]2C[C@H]2/C(=N/[O-])c2ccccc2)cc1	ZINC000005527073	170108383	/nfs/dbraw/zinc/10/83/83/170108383.db2.gz	SVZRWBOWZMYECF-WHROQEIASA-N	-1	3	267.328	3.677	50	30		CHEAHM
COc1cc(C(=O)/C=C/c2ccc(C)cc2)ccc1[O-]	ZINC000008322734	170331179	/nfs/dbraw/zinc/33/11/79/170331179.db2.gz	KDCLWYQQWHARDU-VQHVLOKHSA-N	-1	3	268.312	3.605	50	30		CHEAHM
C=C(C)COc1ccc(C(=O)Nc2ccccc2[O-])cc1	ZINC000009865542	170387593	/nfs/dbraw/zinc/38/75/93/170387593.db2.gz	GLHTVYWXUCTBCD-UHFFFAOYSA-N	-1	3	283.327	3.599	50	30		CHEAHM
CC(=N[O-])c1ccc(NC(=O)Nc2ccccc2)cc1	ZINC000312104507	567041456	/nfs/dbraw/zinc/04/14/56/567041456.db2.gz	MNFHPLAACXQPQT-UHFFFAOYSA-N	-1	3	269.304	3.529	50	30		CHEAHM
N#Cc1c2c(sc1N=Cc1ccc([O-])cc1)CCCC2	ZINC000252604676	567066130	/nfs/dbraw/zinc/06/61/30/567066130.db2.gz	GCSVJAUMTQBLEX-UHFFFAOYSA-N	-1	3	282.368	3.955	50	30		CHEAHM
[O-]c1cccc(/C=N/c2ccc(Br)cc2)c1O	ZINC000000136774	567819603	/nfs/dbraw/zinc/81/96/03/567819603.db2.gz	REDZRGGFOKZFIX-OVCLIPMQSA-N	-1	3	292.132	3.611	50	30		CHEAHM
COc1ccccc1N/C(=N\[O-])c1ccccc1Cl	ZINC000004335891	567856913	/nfs/dbraw/zinc/85/69/13/567856913.db2.gz	SYOJTHDDRLMHCR-UHFFFAOYSA-N	-1	3	276.723	3.597	50	30		CHEAHM
O=C1OC(c2ccccc2)N=C1C=Nc1ccccc1[O-]	ZINC000000438439	567930778	/nfs/dbraw/zinc/93/07/78/567930778.db2.gz	IRPCEGJWSOWIST-LICLKQGHSA-N	-1	3	280.283	3.503	50	30		CHEAHM
CCc1ccc(/C=C2\Cc3c(cccc3[O-])C2=O)cc1	ZINC000011335983	570394174	/nfs/dbraw/zinc/39/41/74/570394174.db2.gz	HBWMMFFIAKGGFO-GXDHUFHOSA-N	-1	3	264.324	3.777	50	30		CHEAHM
CCOc1ccccc1C=N[N-]c1nc2ccccc2o1	ZINC000015924522	1121987137	/nfs/dbraw/zinc/98/71/37/1121987137.db2.gz	UWUTXQZEELIURI-UHFFFAOYSA-N	-1	3	281.315	3.673	50	30		CHEAHM
Cc1cccc(/C=C2/Cc3c(cccc3[O-])C2=O)c1	ZINC000096931937	185132487	/nfs/dbraw/zinc/13/24/87/185132487.db2.gz	CGLJVTGKDOGMRD-LCYFTJDESA-N	-1	3	250.297	3.523	50	30		CHEAHM
C=CC[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2Cl)C1	ZINC000091595512	180201705	/nfs/dbraw/zinc/20/17/05/180201705.db2.gz	DHRDWIKGXZEUFR-MRXNPFEDSA-N	-1	3	293.794	3.583	50	30		CHEAHM
Cc1cccc(N=Cc2c([O-])ccc3ccccc32)n1	ZINC000238899561	256784417	/nfs/dbraw/zinc/78/44/17/256784417.db2.gz	GOXMIRPGNYQUGX-UHFFFAOYSA-N	-1	3	262.312	3.999	50	30		CHEAHM
[O-]/N=C(\Nc1ccccc1)c1cccc(C(F)(F)F)c1	ZINC000004695447	170000232	/nfs/dbraw/zinc/00/02/32/170000232.db2.gz	SFPWZRCGYUTPNJ-UHFFFAOYSA-N	-1	3	280.249	3.953	50	30	in-vitro	CHEAHM
[O-]c1ccc(Br)cc1C=NNc1ccccc1	ZINC000004739159	170008620	/nfs/dbraw/zinc/00/86/20/170008620.db2.gz	CUHVDGAHCMUDKL-OQLLNIDSSA-N	-1	3	291.148	3.601	50	30		CHEAHM
Cc1cc([O-])ccc1N=C1C=C(Cl)C(=O)C(Cl)=C1	ZINC000004786627	170017839	/nfs/dbraw/zinc/01/78/39/170017839.db2.gz	HOSANFGGQUKMCU-UHFFFAOYSA-N	-1	3	282.126	3.601	50	30		CHEAHM
COc1ccc(/N=C/c2cc(Cl)ccc2[O-])c(OC)c1	ZINC000005288083	170083128	/nfs/dbraw/zinc/08/31/28/170083128.db2.gz	PXLKJRNBSGYKCW-RQZCQDPDSA-N	-1	3	291.734	3.813	50	30		CHEAHM
CCOc1ccc(/C=C/C(=O)c2ccc([O-])c(OC)c2)cc1	ZINC000008322730	170330881	/nfs/dbraw/zinc/33/08/81/170330881.db2.gz	ZEYAOKSHMHMAOD-UXBLZVDNSA-N	-1	3	298.338	3.696	50	30		CHEAHM
O=C1c2cc(Cl)ccc2O/C1=C\c1ccccc1[O-]	ZINC000039842336	174174562	/nfs/dbraw/zinc/17/45/62/174174562.db2.gz	XJSZEMLMIBPIQA-AUWJEWJLSA-N	-1	3	272.687	3.662	50	30		CHEAHM
O=[N+]([O-])c1cc(/N=C/c2ccc([O-])cc2)ccc1Cl	ZINC000000497876	566908754	/nfs/dbraw/zinc/90/87/54/566908754.db2.gz	SYSVLHZZVIXEIY-OVCLIPMQSA-N	-1	3	276.679	3.704	50	30		CHEAHM
O=[N+]([O-])c1ccc(Cl)c(/N=C/c2ccccc2[O-])c1	ZINC000002171505	566915521	/nfs/dbraw/zinc/91/55/21/566915521.db2.gz	ZVVHJQVZXHJTGI-OVCLIPMQSA-N	-1	3	276.679	3.704	50	30		CHEAHM
CC(=O)Nc1ccc(/N=C/c2cc(Cl)ccc2[O-])cc1	ZINC000003196590	567852161	/nfs/dbraw/zinc/85/21/61/567852161.db2.gz	GNHHNTXGQZYLNC-RQZCQDPDSA-N	-1	3	288.734	3.755	50	30		CHEAHM
CCN(CC)c1ccc(/C=N/c2ccccc2)c([O-])c1	ZINC000013125572	567865289	/nfs/dbraw/zinc/86/52/89/567865289.db2.gz	NJVXPGOKQZBFPC-QGOAFFKASA-N	-1	3	268.360	3.989	50	30		CHEAHM
N#Cc1cc(-c2ccccc2)oc1[N-]C(=O)c1ccco1	ZINC000000144046	570386832	/nfs/dbraw/zinc/38/68/32/570386832.db2.gz	ODRYGYMGONMMHX-UHFFFAOYSA-N	-1	3	278.267	3.664	50	30		CHEAHM
[O-]c1ccc(Cl)cc1C=Nc1n[nH]c2ccccc21	ZINC000254706269	1129705935	/nfs/dbraw/zinc/70/59/35/1129705935.db2.gz	NVFOEOYLUJJSGV-UHFFFAOYSA-N	-1	3	271.707	3.673	50	30		CHEAHM
COc1cc(/C=N/N(C)c2ccccc2)cc(Cl)c1[O-]	ZINC000004989763	170049980	/nfs/dbraw/zinc/04/99/80/170049980.db2.gz	CXTHNYNLOKLZLJ-LICLKQGHSA-N	-1	3	290.750	3.525	50	30		CHEAHM
C/C(=N\[O-])c1ccc(OCc2ccccc2C)cc1	ZINC000021806482	171327952	/nfs/dbraw/zinc/32/79/52/171327952.db2.gz	UFLNGABMNAKKLT-GHRIWEEISA-N	-1	3	255.317	3.772	50	30		CHEAHM
[O-]c1ccccc1C=Nc1ccc(Br)cc1	ZINC000245240976	566828070	/nfs/dbraw/zinc/82/80/70/566828070.db2.gz	VWAMOQWOPYDCQR-UHFFFAOYSA-N	-1	3	276.133	3.905	50	30		CHEAHM
[O-]c1ccccc1/C=N/c1nc2ccccc2s1	ZINC000000272527	567054573	/nfs/dbraw/zinc/05/45/73/567054573.db2.gz	QHXJLHSKVDZVOA-OQLLNIDSSA-N	-1	3	254.314	3.753	50	30		CHEAHM
N#Cc1c(N=Cc2cc(O)ccc2[O-])sc2c1CCCC2	ZINC000254520867	567141832	/nfs/dbraw/zinc/14/18/32/567141832.db2.gz	PBFLETRCIBZYRP-UHFFFAOYSA-N	-1	3	298.367	3.660	50	30		CHEAHM
N#CC=C([O-])c1ccccc1Oc1ccc(F)cc1	ZINC000004105460	567187189	/nfs/dbraw/zinc/18/71/89/567187189.db2.gz	VCTUEJJUKLWVFC-UHFFFAOYSA-N	-1	3	255.248	3.714	50	30		CHEAHM
[O-]c1cccc(/C=N/c2ccc(OC(F)(F)F)cc2)c1O	ZINC000000046457	567816943	/nfs/dbraw/zinc/81/69/43/567816943.db2.gz	XATPCXJHEVTHQO-QGMBQPNBSA-N	-1	3	297.232	3.747	50	30		CHEAHM
COc1ccc(/N=C\c2ccccc2[O-])cc1Cl	ZINC000000576384	567943792	/nfs/dbraw/zinc/94/37/92/567943792.db2.gz	XEEGVWCBNUYBFT-SXGWCWSVSA-N	-1	3	261.708	3.805	50	30		CHEAHM
C(=N[N-]c1nc2ccccc2o1)c1c[nH]c2ccccc12	ZINC000254826672	1129712420	/nfs/dbraw/zinc/71/24/20/1129712420.db2.gz	HUVARDVZCXUVNV-UHFFFAOYSA-N	-1	3	276.299	3.755	50	30		CHEAHM
O=C(/C=C\c1ccc(F)c(F)c1)c1cccc([O-])c1	ZINC000096792662	185114876	/nfs/dbraw/zinc/11/48/76/185114876.db2.gz	JZTHGMXTYYBKAB-ALCCZGGFSA-N	-1	3	260.239	3.567	50	30		CHEAHM
Cc1ccc(/C=C2/Cc3c(cccc3[O-])C2=O)cc1	ZINC000096931931	185132337	/nfs/dbraw/zinc/13/23/37/185132337.db2.gz	FRBUTMGYFZNUTK-LCYFTJDESA-N	-1	3	250.297	3.523	50	30		CHEAHM
COc1cc(C(=O)/C=C/c2ccc(Cl)cc2)ccc1[O-]	ZINC000005156304	170071806	/nfs/dbraw/zinc/07/18/06/170071806.db2.gz	REMYTIQITMSNEO-XBXARRHUSA-N	-1	3	288.730	3.950	50	30		CHEAHM
O=C(/C=C/c1cccc(Cl)c1)c1cccc([O-])c1	ZINC000008322396	170330909	/nfs/dbraw/zinc/33/09/09/170330909.db2.gz	HWENTGQOATXSPU-BQYQJAHWSA-N	-1	3	258.704	3.942	50	30		CHEAHM
O=c1[nH]c2ccccc2nc1C=C([O-])c1ccc(F)cc1	ZINC000015220781	326845154	/nfs/dbraw/zinc/84/51/54/326845154.db2.gz	UIXFWJVCVKBYOF-NTEUORMPSA-N	-1	3	282.274	3.606	50	30		CHEAHM
COc1cc(OC)c(/N=C\c2ccccc2[O-])cc1Cl	ZINC000002160193	567060644	/nfs/dbraw/zinc/06/06/44/567060644.db2.gz	VTSXAEWTTOXZHR-MFOYZWKCSA-N	-1	3	291.734	3.813	50	30		CHEAHM
O=C(/C=C/c1ccccc1[O-])c1ccccc1Cl	ZINC000004288278	567192774	/nfs/dbraw/zinc/19/27/74/567192774.db2.gz	GJHOECHVMHCVTK-MDZDMXLPSA-N	-1	3	258.704	3.942	50	30		CHEAHM
Cc1[nH]c2ccccc2c1/C=N/c1ccc([O-])cc1	ZINC000000046098	567817034	/nfs/dbraw/zinc/81/70/34/567817034.db2.gz	CNPNCAOCVPCUOV-LICLKQGHSA-N	-1	3	250.301	3.933	50	30		CHEAHM
CC(C)(C)c1ccc(O)c(/C(=N/[O-])c2ccccc2)c1	ZINC000000133192	567819659	/nfs/dbraw/zinc/81/96/59/567819659.db2.gz	AKLGESQYXMFHBK-FBMGVBCBSA-N	-1	3	269.344	3.916	50	30		CHEAHM
[O-]c1ccccc1/C=N/c1cccc(Br)c1	ZINC000002163584	567844811	/nfs/dbraw/zinc/84/48/11/567844811.db2.gz	WZMRGZLLMIKMQL-OQLLNIDSSA-N	-1	3	276.133	3.905	50	30		CHEAHM
CCS[C@H](C)C[C@H]1Cc2onc(CC)c2/C(=N\[O-])C1	ZINC000096243517	567888750	/nfs/dbraw/zinc/88/87/50/567888750.db2.gz	KQTKQKSKKRBLDB-HDNPNFOBSA-N	-1	3	282.409	3.509	50	30		CHEAHM
O=C1C=C([O-])C[C@H](c2ccccc2C(F)(F)F)C1	ZINC000103566407	567915580	/nfs/dbraw/zinc/91/55/80/567915580.db2.gz	RKKIMQUARSSVSM-MRVPVSSYSA-N	-1	3	256.223	3.594	50	30		CHEAHM
O=C1C=C([O-])C[C@@H](c2ccccc2C(F)(F)F)C1	ZINC000103566407	567915582	/nfs/dbraw/zinc/91/55/82/567915582.db2.gz	RKKIMQUARSSVSM-MRVPVSSYSA-N	-1	3	256.223	3.594	50	30		CHEAHM
O=C1c2ccccc2S/C1=C\c1ccc([O-])cc1	ZINC000000182371	567924640	/nfs/dbraw/zinc/92/46/40/567924640.db2.gz	BHYUBYSOQLBDOH-ZROIWOOFSA-N	-1	3	254.310	3.722	50	30		CHEAHM
Cc1ccc(N=Cc2c([O-])ccc3ccccc32)nc1	ZINC000252631126	570376456	/nfs/dbraw/zinc/37/64/56/570376456.db2.gz	VIKWCECQLQVWHC-UHFFFAOYSA-N	-1	3	262.312	3.999	50	30		CHEAHM
CC(C)(C)C(=O)C=C([O-])C(F)(F)C(F)(F)C(F)(F)F	ZINC000208400313	1125422377	/nfs/dbraw/zinc/42/23/77/1125422377.db2.gz	DCPYXGMLIRLWSP-GQCTYLIASA-N	-1	3	296.182	3.876	50	30		CHEAHM
CC(C)(C)C([O-])=CC(=O)C(F)(F)C(F)(F)C(F)(F)F	ZINC000208400313	1125422381	/nfs/dbraw/zinc/42/23/81/1125422381.db2.gz	DCPYXGMLIRLWSP-GQCTYLIASA-N	-1	3	296.182	3.876	50	30		CHEAHM
[O-]/N=C\c1ccc(OCc2ccccc2Cl)cc1	ZINC000100250141	230391768	/nfs/dbraw/zinc/39/17/68/230391768.db2.gz	RIXPNWPKNIZOHD-SXGWCWSVSA-N	-1	3	261.708	3.727	50	30		CHEAHM
CCc1ccc(/C=C\C(=O)c2ccc([O-])c(OC)c2)cc1	ZINC000096792755	529588626	/nfs/dbraw/zinc/58/86/26/529588626.db2.gz	LXYQEPMMBPXJPR-NTMALXAHSA-N	-1	3	282.339	3.859	50	30		CHEAHM
CCCCCCCCOC(=O)c1ccc([O-])cc1	ZINC000001568934	528130633	/nfs/dbraw/zinc/13/06/33/528130633.db2.gz	RIKCMEDSBFQFAL-UHFFFAOYSA-N	-1	3	250.338	3.910	50	30		CHEAHM
CCN(CC)c1ccc(C=Nc2ccccc2C#N)c([O-])c1	ZINC000252460561	567051463	/nfs/dbraw/zinc/05/14/63/567051463.db2.gz	GHOSKFQKLYSZBK-UHFFFAOYSA-N	-1	3	293.370	3.861	50	30		CHEAHM
Cc1ccc(N=Cc2c[nH]c3ccccc23)c([O-])c1	ZINC000252462382	567052604	/nfs/dbraw/zinc/05/26/04/567052604.db2.gz	RWUOFLQCFWKZQH-UHFFFAOYSA-N	-1	3	250.301	3.933	50	30		CHEAHM
COc1cc(C=NN(C)c2ccccc2)cc(Cl)c1[O-]	ZINC000252598062	567066138	/nfs/dbraw/zinc/06/61/38/567066138.db2.gz	CXTHNYNLOKLZLJ-UHFFFAOYSA-N	-1	3	290.750	3.525	50	30		CHEAHM
Cc1c(Cl)cccc1N=Cc1ccc(O)cc1[O-]	ZINC000252620443	567066838	/nfs/dbraw/zinc/06/68/38/567066838.db2.gz	MEHOCZITVYBIFC-UHFFFAOYSA-N	-1	3	261.708	3.810	50	30		CHEAHM
COc1cc(/C=C/C(=O)c2ccccc2)cc(Cl)c1[O-]	ZINC000012978648	567117260	/nfs/dbraw/zinc/11/72/60/567117260.db2.gz	XJXLWNVWMIVZOT-BQYQJAHWSA-N	-1	3	288.730	3.950	50	30		CHEAHM
CC/C(=N\Cc1ccc(C#N)cc1)c1ccccc1[O-]	ZINC000000098108	567818207	/nfs/dbraw/zinc/81/82/07/567818207.db2.gz	FQVOMYFHCLLINJ-KNTRCKAVSA-N	-1	3	264.328	3.663	50	30		CHEAHM
Cc1cc(C)c([O-])c(/N=C/c2ccc([N+](=O)[O-])cc2)c1	ZINC000000243518	567925449	/nfs/dbraw/zinc/92/54/49/567925449.db2.gz	CADSGXXDDBPQSN-CXUHLZMHSA-N	-1	3	270.288	3.668	50	30		CHEAHM
Cc1ccc(NC(=O)C(=O)C=C([O-])c2ccccc2)cc1C	ZINC000101355134	567940982	/nfs/dbraw/zinc/94/09/82/567940982.db2.gz	NEXKNDSPDWHFCW-BOPFTXTBSA-N	-1	3	295.338	3.567	50	30		CHEAHM
C=CCc1cc2oc(-c3ccccc3)cc(=O)c2cc1[O-]	ZINC000075172827	570332782	/nfs/dbraw/zinc/33/27/82/570332782.db2.gz	FZNDGLHNTNGOIS-UHFFFAOYSA-N	-1	3	278.307	3.894	50	30	biogenic	CHEAHM
Cc1cccc(/C=C2\Cc3c(cccc3[O-])C2=O)c1	ZINC000011335977	570393796	/nfs/dbraw/zinc/39/37/96/570393796.db2.gz	CGLJVTGKDOGMRD-UKTHLTGXSA-N	-1	3	250.297	3.523	50	30		CHEAHM
N#CC(=C([O-])c1ccsc1)c1ccc(C(F)(F)F)cn1	ZINC000041554547	570404183	/nfs/dbraw/zinc/40/41/83/570404183.db2.gz	YWGZYVKYFDXTOW-SNVBAGLBSA-N	-1	3	296.273	3.652	50	30		CHEAHM
COc1cc(C(=O)/C=C\c2ccc(C)cc2)ccc1[O-]	ZINC000097993511	1120086820	/nfs/dbraw/zinc/08/68/20/1120086820.db2.gz	KDCLWYQQWHARDU-CLFYSBASSA-N	-1	3	268.312	3.605	50	30		CHEAHM
COc1cc(C(=O)/C=C\c2ccccc2Cl)ccc1[O-]	ZINC000096792743	185114485	/nfs/dbraw/zinc/11/44/85/185114485.db2.gz	NIHNZOGKXLNJOY-VURMDHGXSA-N	-1	3	288.730	3.950	50	30		CHEAHM
O=C1C=C([O-])C[C@H](c2ccc(C(F)(F)F)cc2)C1	ZINC000091696144	180229280	/nfs/dbraw/zinc/22/92/80/180229280.db2.gz	GBQFDYLJNZTZOS-SECBINFHSA-N	-1	3	256.223	3.594	50	30		CHEAHM
O=C1C=C([O-])C[C@@H](c2ccc(C(F)(F)F)cc2)C1	ZINC000091696144	180229281	/nfs/dbraw/zinc/22/92/81/180229281.db2.gz	GBQFDYLJNZTZOS-SECBINFHSA-N	-1	3	256.223	3.594	50	30		CHEAHM
CCc1ccc(/C=C/C(=O)c2ccc([O-])c(OC)c2)cc1	ZINC000005156319	170071765	/nfs/dbraw/zinc/07/17/65/170071765.db2.gz	LXYQEPMMBPXJPR-CSKARUKUSA-N	-1	3	282.339	3.859	50	30		CHEAHM
N#Cc1ccc(CSc2n[n-]c(-c3cccs3)n2)cc1	ZINC000008230948	170326094	/nfs/dbraw/zinc/32/60/94/170326094.db2.gz	XEZXHNTXNVFCGV-UHFFFAOYSA-N	-1	3	298.396	3.697	50	30		CHEAHM
Cc1cccc(/N=C/c2c([O-])ccc3ccccc32)n1	ZINC000016666376	566878332	/nfs/dbraw/zinc/87/83/32/566878332.db2.gz	GOXMIRPGNYQUGX-WOJGMQOQSA-N	-1	3	262.312	3.999	50	30		CHEAHM
Cc1cc(C)c(N=Cc2ccc(O)cc2[O-])c(C)c1	ZINC000252462649	567052096	/nfs/dbraw/zinc/05/20/96/567052096.db2.gz	VALFVRSRQPMCBA-UHFFFAOYSA-N	-1	3	255.317	3.774	50	30		CHEAHM
COc1ccc([C@@H]2C[C@@H]2/C(=N/[O-])c2ccccc2)cc1	ZINC000013142430	567116683	/nfs/dbraw/zinc/11/66/83/567116683.db2.gz	SVZRWBOWZMYECF-WZEOOOLQSA-N	-1	3	267.328	3.677	50	30		CHEAHM
[O-]c1ccccc1C=NNc1ccc(Br)cc1	ZINC000004017901	567183841	/nfs/dbraw/zinc/18/38/41/567183841.db2.gz	OIAFBKNZDHQDIW-OQLLNIDSSA-N	-1	3	291.148	3.601	50	30		CHEAHM
Cc1cc(C)c(/N=C/c2ccc([O-])cc2O)c(C)c1	ZINC000000357649	567826731	/nfs/dbraw/zinc/82/67/31/567826731.db2.gz	VALFVRSRQPMCBA-RQZCQDPDSA-N	-1	3	255.317	3.774	50	30		CHEAHM
Cc1cc(C)c(/N=C/c2ccc(O)cc2[O-])c(C)c1	ZINC000000357649	567826732	/nfs/dbraw/zinc/82/67/32/567826732.db2.gz	VALFVRSRQPMCBA-RQZCQDPDSA-N	-1	3	255.317	3.774	50	30		CHEAHM
[O-]/N=C/c1ccc(OCc2ccccc2)c(Cl)c1	ZINC000100482847	567913325	/nfs/dbraw/zinc/91/33/25/567913325.db2.gz	DZNFKQMOUAEDRF-CXUHLZMHSA-N	-1	3	261.708	3.727	50	30		CHEAHM
O=[N+]([O-])c1ccc(/C=C\C=Nc2ccccc2[O-])cc1	ZINC000252610033	567930290	/nfs/dbraw/zinc/93/02/90/567930290.db2.gz	HYFJDUBKWVILOC-DINFGWAUSA-N	-1	3	268.272	3.716	50	30		CHEAHM
O=C1c2cccc([O-])c2C/C1=C\c1csc(C2CC2)n1	ZINC000063278235	570326009	/nfs/dbraw/zinc/32/60/09/570326009.db2.gz	YUFKFJNXGBDADI-UXBLZVDNSA-N	-1	3	283.352	3.549	50	30		CHEAHM
Cc1ccc(C=NNc2cccc3cccnc32)c([O-])c1	ZINC000004991756	170051025	/nfs/dbraw/zinc/05/10/25/170051025.db2.gz	ZBJPAPFVFRJLEQ-YBFXNURJSA-N	-1	3	277.327	3.695	50	30		CHEAHM
C[C@H](C#N)Sc1nnc([N-]c2ccccc2Cl)s1	ZINC000009154202	170364566	/nfs/dbraw/zinc/36/45/66/170364566.db2.gz	IWLSZOJNGIBWOF-SSDOTTSWSA-N	-1	3	296.808	3.939	50	30		CHEAHM
CCOc1cccc(/C=C2/Cc3c(cccc3[O-])C2=O)c1	ZINC000040139829	174194055	/nfs/dbraw/zinc/19/40/55/174194055.db2.gz	VRGOFSKFIATBKW-LCYFTJDESA-N	-1	3	280.323	3.613	50	30		CHEAHM
C(=N[N-]c1nc2ccccc2o1)c1c[nH]c2ccccc12	ZINC000055456080	518380455	/nfs/dbraw/zinc/38/04/55/518380455.db2.gz	HUVARDVZCXUVNV-ZDLGFXPLSA-N	-1	3	276.299	3.755	50	30		CHEAHM
[O-]c1ccccc1/C=N/c1ccc(Br)cc1	ZINC000013406338	567865954	/nfs/dbraw/zinc/86/59/54/567865954.db2.gz	VWAMOQWOPYDCQR-OQLLNIDSSA-N	-1	3	276.133	3.905	50	30		CHEAHM
Cc1[nH]c2ccccc2c1C=Nc1ccc([O-])cc1	ZINC000252460204	567052478	/nfs/dbraw/zinc/05/24/78/567052478.db2.gz	CNPNCAOCVPCUOV-UHFFFAOYSA-N	-1	3	250.301	3.933	50	30		CHEAHM
CC(=N[O-])c1ccc2c(c1)c1cc(C(C)=NO)ccc1n2C	ZINC000252467353	567054183	/nfs/dbraw/zinc/05/41/83/567054183.db2.gz	FLWJMRMCBRKRPD-UHFFFAOYSA-N	-1	3	295.342	3.728	50	30		CHEAHM
O=[N+]([O-])c1ccc(/C=C/C=Nc2ccccc2[O-])cc1	ZINC000252610034	567065301	/nfs/dbraw/zinc/06/53/01/567065301.db2.gz	HYFJDUBKWVILOC-KJFCXQQNSA-N	-1	3	268.272	3.716	50	30		CHEAHM
CCCc1cc(=O)[n-]c(C(=Cc2cc(C#N)cs2)CC)n1	ZINC000225719499	567145537	/nfs/dbraw/zinc/14/55/37/567145537.db2.gz	IREAMCZGLYMBCE-KPKJPENVSA-N	-1	3	299.399	3.606	50	30		CHEAHM
Cc1ccc(/N=C/c2c[nH]c3ccccc23)c([O-])c1	ZINC000000047188	567816876	/nfs/dbraw/zinc/81/68/76/567816876.db2.gz	RWUOFLQCFWKZQH-VCHYOVAHSA-N	-1	3	250.301	3.933	50	30		CHEAHM
O=C1C=C([O-])C[C@@H](c2ccccc2C(F)(F)F)C1	ZINC000103566411	567915662	/nfs/dbraw/zinc/91/56/62/567915662.db2.gz	RKKIMQUARSSVSM-QMMMGPOBSA-N	-1	3	256.223	3.594	50	30		CHEAHM
O=C1C=C([O-])C[C@H](c2ccccc2C(F)(F)F)C1	ZINC000103566411	567915663	/nfs/dbraw/zinc/91/56/63/567915663.db2.gz	RKKIMQUARSSVSM-QMMMGPOBSA-N	-1	3	256.223	3.594	50	30		CHEAHM
[O-]N=Cc1ccc(OCc2ccc(Cl)cc2)cc1	ZINC000249989865	1127413460	/nfs/dbraw/zinc/41/34/60/1127413460.db2.gz	KTAKHMWXBCARFS-UHFFFAOYSA-N	-1	3	261.708	3.727	50	30		CHEAHM
CC(=O)Nc1cccc(/N=C/c2cc(Cl)ccc2[O-])c1	ZINC000000222435	1119100368	/nfs/dbraw/zinc/10/03/68/1119100368.db2.gz	KQFLCDYMROWSQY-RQZCQDPDSA-N	-1	3	288.734	3.755	50	30		CHEAHM
O=C(/C=C/c1ccccc1Cl)c1cccc([O-])c1	ZINC000006432869	170200934	/nfs/dbraw/zinc/20/09/34/170200934.db2.gz	QNOFSSIICYUGIL-CMDGGOBGSA-N	-1	3	258.704	3.942	50	30		CHEAHM
COc1cc(C(=O)/C=C/c2ccccc2Cl)ccc1[O-]	ZINC000006433129	170201003	/nfs/dbraw/zinc/20/10/03/170201003.db2.gz	NIHNZOGKXLNJOY-SOFGYWHQSA-N	-1	3	288.730	3.950	50	30		CHEAHM
Cc1ccc(C)c(/C=C/C(=O)c2cccc([O-])c2)c1	ZINC000006788716	170244032	/nfs/dbraw/zinc/24/40/32/170244032.db2.gz	YKKOOHFIDHLCED-CMDGGOBGSA-N	-1	3	252.313	3.905	50	30		CHEAHM
C=C(C)Cc1cc(C)cc(-n2nc3ccccc3n2)c1[O-]	ZINC000071973314	176305826	/nfs/dbraw/zinc/30/58/26/176305826.db2.gz	HLTVXJZFIFRXDB-UHFFFAOYSA-N	-1	3	279.343	3.553	50	30		CHEAHM
N#CC(=C([O-])c1ccccc1Cl)c1nc2ccccc2[nH]1	ZINC000000162469	567054786	/nfs/dbraw/zinc/05/47/86/567054786.db2.gz	ROQZDYUDIBWRFI-NSHDSACASA-N	-1	3	295.729	3.706	50	30		CHEAHM
Cc1cccnc1N=Cc1c([O-])ccc2ccccc21	ZINC000253618432	567103127	/nfs/dbraw/zinc/10/31/27/567103127.db2.gz	KVJQPVPRIHFWLW-UHFFFAOYSA-N	-1	3	262.312	3.999	50	30		CHEAHM
Cc1sc([N-]C(=O)c2cc(F)ccc2F)c(C#N)c1C	ZINC000002743636	567153249	/nfs/dbraw/zinc/15/32/49/567153249.db2.gz	NSDATYKCFODZRQ-UHFFFAOYSA-N	-1	3	292.310	3.767	50	30		CHEAHM
COc1ccc([C@H](C)/N=C/c2ccccc2[O-])cc1OC	ZINC000057411811	567155112	/nfs/dbraw/zinc/15/51/12/567155112.db2.gz	KICWJLCCKPSPAG-HWQJWEFDSA-N	-1	3	285.343	3.590	50	30		CHEAHM
C=CCc1cccc(/C=N/c2nc3ccccc3[nH]2)c1[O-]	ZINC000011613956	567910670	/nfs/dbraw/zinc/91/06/70/567910670.db2.gz	SZRPPDDTKYCYAG-WOJGMQOQSA-N	-1	3	277.327	3.748	50	30		CHEAHM
[O-]c1ccccc1/N=C\c1ccc(Br)cc1	ZINC000100183517	567923153	/nfs/dbraw/zinc/92/31/53/567923153.db2.gz	XHIIEEPPCLKWQN-DHDCSXOGSA-N	-1	3	276.133	3.905	50	30		CHEAHM
Cc1cn2c(/C=C\C(=O)c3cccc([O-])c3)c(C)nc2s1	ZINC000096930377	185132192	/nfs/dbraw/zinc/13/21/92/185132192.db2.gz	KPPXEVVZSWAYLZ-SREVYHEPSA-N	-1	3	298.367	3.614	50	30		CHEAHM
CCOc1ccc(/C=C/C(=O)c2cccc([O-])c2)cc1	ZINC000008322404	170331055	/nfs/dbraw/zinc/33/10/55/170331055.db2.gz	RUOLPVLVNKGHPV-DHZHZOJOSA-N	-1	3	268.312	3.687	50	30		CHEAHM
COc1cccc(/C=N/c2sc(C)c(C)c2C#N)c1[O-]	ZINC000004150678	567190498	/nfs/dbraw/zinc/19/04/98/567190498.db2.gz	SONCUOKJQLDTBX-CAOOACKPSA-N	-1	3	286.356	3.701	50	30		CHEAHM
[O-]c1cc(/C=N/c2ccc(Br)cc2)ccc1O	ZINC000000046054	567816990	/nfs/dbraw/zinc/81/69/90/567816990.db2.gz	SCESVRSZRKTPMC-OVCLIPMQSA-N	-1	3	292.132	3.611	50	30		CHEAHM
[O-]/N=C(\Nc1cccc(C(F)(F)F)c1)c1ccccc1	ZINC000004335881	567856890	/nfs/dbraw/zinc/85/68/90/567856890.db2.gz	JONBOSZQNIIVDU-UHFFFAOYSA-N	-1	3	280.249	3.953	50	30		CHEAHM
O=C(/C=C/c1ccc(Cl)cc1)c1cccc([O-])c1	ZINC000004649236	567858579	/nfs/dbraw/zinc/85/85/79/567858579.db2.gz	CJOVLNZNTALCJV-RMKNXTFCSA-N	-1	3	258.704	3.942	50	30		CHEAHM
C/C(=N\OC(=O)c1ccc(Cl)cc1)c1ccccc1[O-]	ZINC000013464456	567866372	/nfs/dbraw/zinc/86/63/72/567866372.db2.gz	BFFPEGPNOAMBNK-LICLKQGHSA-N	-1	3	289.718	3.627	50	30		CHEAHM
COc1cc([O-])c(/C=C/C(=O)c2ccccc2)cc1Cl	ZINC000095100014	567909180	/nfs/dbraw/zinc/90/91/80/567909180.db2.gz	JCCFYMHRHOHHJE-BQYQJAHWSA-N	-1	3	288.730	3.950	50	30		CHEAHM
[O-]/N=C/c1cccnc1Sc1ccc(Cl)cc1	ZINC000100468452	567927243	/nfs/dbraw/zinc/92/72/43/567927243.db2.gz	YXHNXLMYDOJIGJ-OVCLIPMQSA-N	-1	3	264.737	3.694	50	30		CHEAHM
C=CCc1cccc(/C=N/c2cncc(Cl)c2)c1[O-]	ZINC000003156376	567938979	/nfs/dbraw/zinc/93/89/79/567938979.db2.gz	LRTDYDIABZNATB-QGMBQPNBSA-N	-1	3	272.735	3.920	50	30		CHEAHM
[O-]c1ccc(Cl)cc1/C=N/c1ccc2c(c1)OCO2	ZINC000018196277	567940611	/nfs/dbraw/zinc/94/06/11/567940611.db2.gz	JQWZFDDINFEXQF-FRKPEAEDSA-N	-1	3	275.691	3.525	50	30		CHEAHM
COc1cc(/C=N/[O-])ccc1OCc1ccc(Cl)cc1	ZINC000100250288	533482980	/nfs/dbraw/zinc/48/29/80/533482980.db2.gz	GOJBOTXFJSHHLA-RQZCQDPDSA-N	-1	3	291.734	3.736	50	30		CHEAHM
CSc1sc(SC)c(/C=N\[O-])c1Br	ZINC000004745321	170010521	/nfs/dbraw/zinc/01/05/21/170010521.db2.gz	IXIHTIIDBKVDIE-OQFOIZHKSA-N	-1	3	298.252	3.763	50	30		CHEAHM
N#Cc1ccc(/C=C/c2ccc3cccc([O-])c3n2)cc1	ZINC000005127725	170068922	/nfs/dbraw/zinc/06/89/22/170068922.db2.gz	QQQBXNLRAQMCPS-CSKARUKUSA-N	-1	3	272.307	3.982	50	30		CHEAHM
[O-]c1ccc(Cl)cc1/C=N/Cc1ccccc1F	ZINC000005289271	170083193	/nfs/dbraw/zinc/08/31/93/170083193.db2.gz	SCNUNIOKLRYHTR-RQZCQDPDSA-N	-1	3	263.699	3.804	50	30		CHEAHM
C=CCN(Cc1ccccc1C)C(=O)c1cccc([O-])c1	ZINC000055344298	518785582	/nfs/dbraw/zinc/78/55/82/518785582.db2.gz	FHTIAZYFBJQLEV-UHFFFAOYSA-N	-1	3	281.355	3.529	50	30		CHEAHM
CCCc1cc(=O)[n-]c(C(=Cc2ccc(C#N)cc2)CC)n1	ZINC000193618691	567060993	/nfs/dbraw/zinc/06/09/93/567060993.db2.gz	WJIFLRVWGBSCGF-GDNBJRDFSA-N	-1	3	293.370	3.545	50	30		CHEAHM
N#C[C@@H](c1ccccc1[O-])N1CCCC[C@@H]1c1cccnc1	ZINC000020112725	567125305	/nfs/dbraw/zinc/12/53/05/567125305.db2.gz	IDQFGKVZIKXFRS-SJORKVTESA-N	-1	3	293.370	3.579	50	30	biogenic	CHEAHM
N#Cc1ccc(NCc2cc(Cl)ccc2[O-])cc1	ZINC000019951298	567126918	/nfs/dbraw/zinc/12/69/18/567126918.db2.gz	KQPXLGTUFGSOIQ-UHFFFAOYSA-N	-1	3	258.708	3.529	50	30		CHEAHM
C[C@@H](CCc1ccccc1)/N=C/c1ccccc1[O-]	ZINC000057411834	567156003	/nfs/dbraw/zinc/15/60/03/567156003.db2.gz	VCYKLZPEKINGBD-RAOBZKRQSA-N	-1	3	253.345	3.832	50	30		CHEAHM
COc1cccc(/N=C/c2cc(Cl)ccc2[O-])c1	ZINC000004113502	567187410	/nfs/dbraw/zinc/18/74/10/567187410.db2.gz	KVODPSWVCAVADT-CXUHLZMHSA-N	-1	3	261.708	3.805	50	30		CHEAHM
[O-]c1ccccc1/N=C/c1ccc(Br)s1	ZINC000004178254	567189519	/nfs/dbraw/zinc/18/95/19/567189519.db2.gz	CFXHLQHDZJLYDX-NTUHNPAUSA-N	-1	3	282.162	3.967	50	30		CHEAHM
N#CC=C([O-])c1cc(C(F)(F)F)cc(C(F)(F)F)c1	ZINC000002579794	567848376	/nfs/dbraw/zinc/84/83/76/567848376.db2.gz	GFZFAQOKWZGMQL-UHFFFAOYSA-N	-1	3	281.155	3.821	50	30		CHEAHM
COc1ccc([C@@H](C)/N=C/c2ccccc2[O-])cc1	ZINC000057411865	567900918	/nfs/dbraw/zinc/90/09/18/567900918.db2.gz	FZPWOAXJSZHEHP-PBSOMRJOSA-N	-1	3	255.317	3.581	50	30		CHEAHM
C=CCc1cccc(C=NNc2ccccc2OC)c1[O-]	ZINC000095482112	567916958	/nfs/dbraw/zinc/91/69/58/567916958.db2.gz	APZMXVQZNLBLPT-LDADJPATSA-N	-1	3	282.343	3.575	50	30		CHEAHM
CCc1ccc([O-])c(/N=C/c2cc(C)ccc2O)c1	ZINC000000225338	570264412	/nfs/dbraw/zinc/26/44/12/570264412.db2.gz	OUEPCWIMDFXWOQ-LICLKQGHSA-N	-1	3	255.317	3.719	50	30		CHEAHM
COc1ccc(OC)c(/N=C/c2cc(Cl)ccc2[O-])c1	ZINC000005287703	170083429	/nfs/dbraw/zinc/08/34/29/170083429.db2.gz	OHDOFOQCSBPFDW-RQZCQDPDSA-N	-1	3	291.734	3.813	50	30		CHEAHM
Cc1ccc(/C=C/C(=N\[O-])c2ccccc2O)cc1	ZINC000006814241	170245792	/nfs/dbraw/zinc/24/57/92/170245792.db2.gz	JQXRWFJWDXBYPZ-FQBHYKLYSA-N	-1	3	253.301	3.592	50	30		CHEAHM
Cc1cn2c(/C=C/C(=O)c3cccc([O-])c3)c(C)nc2s1	ZINC000009466547	170377584	/nfs/dbraw/zinc/37/75/84/170377584.db2.gz	KPPXEVVZSWAYLZ-VOTSOKGWSA-N	-1	3	298.367	3.614	50	30		CHEAHM
CCOc1ccccc1/C=C/C(=O)c1ccc([O-])c(OC)c1	ZINC000008322729	521448714	/nfs/dbraw/zinc/44/87/14/521448714.db2.gz	HUZGIMXHGCSLTR-CSKARUKUSA-N	-1	3	298.338	3.696	50	30		CHEAHM
[O-]c1ccccc1/C=N/Cc1ccc(F)c(Cl)c1	ZINC000057411792	567889957	/nfs/dbraw/zinc/88/99/57/567889957.db2.gz	RIPQWOJIZPIPPU-RQZCQDPDSA-N	-1	3	263.699	3.804	50	30		CHEAHM
CC1=NN([C@@H](C#N)c2ccccc2[O-])[C@@H](c2ccccc2)C1	ZINC000001278377	566859097	/nfs/dbraw/zinc/85/90/97/566859097.db2.gz	UHLAYLCGCDNPDG-SJORKVTESA-N	-1	3	291.354	3.780	50	30		CHEAHM
C=CCNc1nc(=S)[n-]c2sc3c(c21)CCCC3	ZINC000075153199	566938281	/nfs/dbraw/zinc/93/82/81/566938281.db2.gz	DPFFWOFCRNHHNJ-UHFFFAOYSA-N	-1	3	277.418	3.831	50	30		CHEAHM
CC(=N[O-])c1ccc(OCc2ccc(F)cc2)cc1	ZINC000242464079	566968270	/nfs/dbraw/zinc/96/82/70/566968270.db2.gz	DVFHLLSPLNIERZ-UHFFFAOYSA-N	-1	3	259.280	3.603	50	30		CHEAHM
CCOC(=O)C(Cl)=N[N-]c1ccc(Cl)cc1Cl	ZINC000242554692	566968309	/nfs/dbraw/zinc/96/83/09/566968309.db2.gz	MTWAKBYVMJYUSU-UHFFFAOYSA-N	-1	3	295.553	3.521	50	30		CHEAHM
CCOc1ccc(C=Nc2ccc(C(C)=O)cc2)c([O-])c1	ZINC000252627963	567069949	/nfs/dbraw/zinc/06/99/49/567069949.db2.gz	SFBZJCXHMNJCEO-UHFFFAOYSA-N	-1	3	283.327	3.744	50	30		CHEAHM
COc1ccc([C@H]2C[C@@H]2/C(=N/[O-])c2ccccc2)cc1	ZINC000013142431	567116055	/nfs/dbraw/zinc/11/60/55/567116055.db2.gz	SVZRWBOWZMYECF-ILCIMCFISA-N	-1	3	267.328	3.677	50	30		CHEAHM
C[C@H]1Oc2ccccc2C=C1/C=C/C(=O)c1cccc([O-])c1	ZINC000012892270	567116183	/nfs/dbraw/zinc/11/61/83/567116183.db2.gz	SKOSFKFNBCGVID-WTNCMQEWSA-N	-1	3	292.334	3.996	50	30	biogenic	CHEAHM
C=CCOc1ccc(/C=N/c2ccc(OC)cc2)c([O-])c1	ZINC000013120068	567116373	/nfs/dbraw/zinc/11/63/73/567116373.db2.gz	VKEFSUHTTKOZOQ-LDADJPATSA-N	-1	3	283.327	3.716	50	30		CHEAHM
N#CC(=C([O-])c1cc(F)c(F)cc1Cl)c1ccccn1	ZINC000003171839	567162535	/nfs/dbraw/zinc/16/25/35/567162535.db2.gz	PQKMHPXJDLUXDU-SECBINFHSA-N	-1	3	292.672	3.503	50	30		CHEAHM
CC(=NNc1cccc2cccnc21)c1ccccc1[O-]	ZINC000013122657	567864732	/nfs/dbraw/zinc/86/47/32/567864732.db2.gz	CMMMSEIGVZJLMS-XDHOZWIPSA-N	-1	3	277.327	3.777	50	30		CHEAHM
[O-]/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1	ZINC000018251330	567876909	/nfs/dbraw/zinc/87/69/09/567876909.db2.gz	KTAKHMWXBCARFS-CXUHLZMHSA-N	-1	3	261.708	3.727	50	30		CHEAHM
Cc1ccc2[nH]c(=NN=Cc3ccccc3[O-])sc2c1	ZINC000098086920	567907413	/nfs/dbraw/zinc/90/74/13/567907413.db2.gz	SSVKBJHKIVFPDJ-SXGWCWSVSA-N	-1	3	283.356	3.756	50	30		CHEAHM
Cc1sc(/N=C/c2ccc([O-])cc2)c(C#N)c1C	ZINC000000244984	567925346	/nfs/dbraw/zinc/92/53/46/567925346.db2.gz	HEKODQHKJVMBJV-LZYBPNLTSA-N	-1	3	256.330	3.693	50	30		CHEAHM
CCCCCCCc1cc([O-])c2ccccc2[n+]1[O-]	ZINC000001529909	570345420	/nfs/dbraw/zinc/34/54/20/570345420.db2.gz	NZPACTGCRWDXCJ-UHFFFAOYSA-N	-1	3	259.349	3.692	50	30	in-vivo	CHEAHM
COc1cc(C(=O)/C=C\c2ccc(F)c(F)c2)ccc1[O-]	ZINC000096792756	185114490	/nfs/dbraw/zinc/11/44/90/185114490.db2.gz	ZVVPHQHLRMLTEN-UTCJRWHESA-N	-1	3	290.265	3.575	50	30		CHEAHM
O=C1c2cc([N+](=O)[O-])ccc2CC/C1=C\c1ccc([O-])cc1	ZINC000000999048	169685063	/nfs/dbraw/zinc/68/50/63/169685063.db2.gz	HQPCYRNRNQFHJH-UKTHLTGXSA-N	-1	3	295.294	3.513	50	30		CHEAHM
CCN(CC)c1ccc(C=[NH+][N-]c2ccccc2)c([O-])c1	ZINC000004992011	170051358	/nfs/dbraw/zinc/05/13/58/170051358.db2.gz	VKZXHNORZJCJDH-QGOAFFKASA-N	-1	3	283.375	3.684	50	30		CHEAHM
Cc1c(Cl)cccc1/N=C/c1ccc([O-])cc1O	ZINC000000273925	567926103	/nfs/dbraw/zinc/92/61/03/567926103.db2.gz	MEHOCZITVYBIFC-LZYBPNLTSA-N	-1	3	261.708	3.810	50	30		CHEAHM
Cc1c(Cl)cccc1/N=C/c1ccc(O)cc1[O-]	ZINC000000273925	567926104	/nfs/dbraw/zinc/92/61/04/567926104.db2.gz	MEHOCZITVYBIFC-LZYBPNLTSA-N	-1	3	261.708	3.810	50	30		CHEAHM
N#CC(=C([O-])c1ccccc1Cl)c1nc2ccccc2[nH]1	ZINC000000162464	567053617	/nfs/dbraw/zinc/05/36/17/567053617.db2.gz	ROQZDYUDIBWRFI-LLVKDONJSA-N	-1	3	295.729	3.706	50	30		CHEAHM
C=CCc1cccc(/C=N/c2ccc(OC)cc2)c1[O-]	ZINC000000353566	567826402	/nfs/dbraw/zinc/82/64/02/567826402.db2.gz	OHKCULRKAAGLNU-LDADJPATSA-N	-1	3	267.328	3.880	50	30		CHEAHM
C=CCCCCCCCC[N-]C(=O)C(F)(F)F	ZINC000136783244	567906658	/nfs/dbraw/zinc/90/66/58/567906658.db2.gz	XYRSNIPQOBJXDR-UHFFFAOYSA-N	-1	3	251.292	3.582	50	30		CHEAHM
Cc1cccc(/N=C/c2ccc3ccccc3c2[O-])n1	ZINC000000499822	567940255	/nfs/dbraw/zinc/94/02/55/567940255.db2.gz	OBCAUBKBMLIBQW-WOJGMQOQSA-N	-1	3	262.312	3.999	50	30		CHEAHM
O=C1C=C([O-])C[C@@H](c2cccc(C(F)(F)F)c2)C1	ZINC000215742122	570303619	/nfs/dbraw/zinc/30/36/19/570303619.db2.gz	VTLOBHLHXMJGIL-VIFPVBQESA-N	-1	3	256.223	3.594	50	30		CHEAHM
O=C1C=C([O-])C[C@H](c2cccc(C(F)(F)F)c2)C1	ZINC000215742122	570303622	/nfs/dbraw/zinc/30/36/22/570303622.db2.gz	VTLOBHLHXMJGIL-VIFPVBQESA-N	-1	3	256.223	3.594	50	30		CHEAHM
C=CCc1c([O-])ccc2oc(-c3ccccc3)cc(=O)c21	ZINC000036633729	570361126	/nfs/dbraw/zinc/36/11/26/570361126.db2.gz	COVAYULFOQVVHL-UHFFFAOYSA-N	-1	3	278.307	3.894	50	30		CHEAHM
C=CC[C@]1(C(=O)[O-])CCCN(Cc2ccccc2Cl)C1	ZINC000091595511	180201086	/nfs/dbraw/zinc/20/10/86/180201086.db2.gz	DHRDWIKGXZEUFR-INIZCTEOSA-N	-1	3	293.794	3.583	50	30		CHEAHM
C=CCn1c(N)c(-c2nc3ccccc3[n-]2)sc1=S	ZINC000000058514	169521677	/nfs/dbraw/zinc/52/16/77/169521677.db2.gz	ZQAGWXVDVGMIGQ-UHFFFAOYSA-N	-1	3	288.401	3.591	50	30		CHEAHM
O=[N+]([O-])c1ccc(/C=C/C=N/c2ccccc2[O-])cc1	ZINC000001883957	169762097	/nfs/dbraw/zinc/76/20/97/169762097.db2.gz	HYFJDUBKWVILOC-RHHLNSGZSA-N	-1	3	268.272	3.716	50	30		CHEAHM
COc1cccc(C/N=C/c2cc(Cl)ccc2[O-])c1	ZINC000005289396	170083223	/nfs/dbraw/zinc/08/32/23/170083223.db2.gz	XTBFOEOTWQGHOA-LICLKQGHSA-N	-1	3	275.735	3.673	50	30		CHEAHM
[O-]c1ccc(Br)cc1/C=N/Cc1cccs1	ZINC000005289178	170083350	/nfs/dbraw/zinc/08/33/50/170083350.db2.gz	UBEDIQMWEVEJRM-VGOFMYFVSA-N	-1	3	296.189	3.835	50	30		CHEAHM
Cc1ccccc1C/N=C/c1cc(Cl)ccc1[O-]	ZINC000005292083	170083824	/nfs/dbraw/zinc/08/38/24/170083824.db2.gz	ZTBVBDQULFCDNZ-LICLKQGHSA-N	-1	3	259.736	3.973	50	30		CHEAHM
C/C(=N\[O-])c1sc(-c2ccc(Cl)cc2)nc1C	ZINC000100067316	570258435	/nfs/dbraw/zinc/25/84/35/570258435.db2.gz	PHFXDYCHLYHVPO-OVCLIPMQSA-N	-1	3	266.753	3.970	50	30		CHEAHM
CC(=N[O-])c1ccc(OCc2ccccc2C)cc1	ZINC000242687325	566967699	/nfs/dbraw/zinc/96/76/99/566967699.db2.gz	UFLNGABMNAKKLT-UHFFFAOYSA-N	-1	3	255.317	3.772	50	30		CHEAHM
CCOc1ccccc1C=Nc1ccc(C)cc1[O-]	ZINC000252592374	567066160	/nfs/dbraw/zinc/06/61/60/567066160.db2.gz	BFAYQPONUTUEAE-UHFFFAOYSA-N	-1	3	255.317	3.850	50	30		CHEAHM
CCN(CC)c1ccc(/N=C/c2cccc([O-])c2O)cc1	ZINC000000047481	567816988	/nfs/dbraw/zinc/81/69/88/567816988.db2.gz	TZUVTKZXRZUIBZ-LDADJPATSA-N	-1	3	284.359	3.695	50	30		CHEAHM
CCN(CC)c1ccc(/C=N/c2ccc([O-])cc2)cc1	ZINC000000046291	567817021	/nfs/dbraw/zinc/81/70/21/567817021.db2.gz	HVSYMMFIWFHVSO-QGOAFFKASA-N	-1	3	268.360	3.989	50	30		CHEAHM
[O-]c1ccc2oc3c(c2c1/C=N/N1CCCCC1)CCCC3	ZINC000000201733	567822118	/nfs/dbraw/zinc/82/21/18/567822118.db2.gz	AHUHFXVHDXJDMX-XDHOZWIPSA-N	-1	3	298.386	3.837	50	30		CHEAHM
[O-]c1ccc2ccccc2c1/C=N/Cc1cccnc1	ZINC000013468487	567866177	/nfs/dbraw/zinc/86/61/77/567866177.db2.gz	KEJZYIVPICKCDD-XDHOZWIPSA-N	-1	3	262.312	3.560	50	30		CHEAHM
N#CC=C([O-])c1c[nH]c2ccc(OCc3ccccc3)cc21	ZINC000019735936	567878547	/nfs/dbraw/zinc/87/85/47/567878547.db2.gz	ZRJOVAIMCRQQNJ-UHFFFAOYSA-N	-1	3	290.322	3.843	50	30		CHEAHM
O=C1c2cc(Cl)ccc2O/C1=C\c1ccc([O-])cc1	ZINC000020032240	567880374	/nfs/dbraw/zinc/88/03/74/567880374.db2.gz	HEWGEPRUVCNWBS-AUWJEWJLSA-N	-1	3	272.687	3.662	50	30		CHEAHM
C=CCc1cccc(/C=N/c2ccc(Cl)cn2)c1[O-]	ZINC000000058583	567906135	/nfs/dbraw/zinc/90/61/35/567906135.db2.gz	NZXHVCWOBGXMQH-RQZCQDPDSA-N	-1	3	272.735	3.920	50	30		CHEAHM
CCCc1noc2c1/C(=N\[O-])C[C@@H](C[C@H](C)SCC)C2	ZINC000100525972	567913436	/nfs/dbraw/zinc/91/34/36/567913436.db2.gz	WVAQCLFHSSAAFE-PVKAUPSBSA-N	-1	3	296.436	3.900	50	30		CHEAHM
N#CC(=C([O-])c1cc(F)c(F)cc1Cl)c1ccccn1	ZINC000003171841	567923738	/nfs/dbraw/zinc/92/37/38/567923738.db2.gz	PQKMHPXJDLUXDU-VIFPVBQESA-N	-1	3	292.672	3.503	50	30		CHEAHM
O=[N+]([O-])c1cc(/C=N/c2ccc([O-])cc2)ccc1Cl	ZINC000000292315	567926529	/nfs/dbraw/zinc/92/65/29/567926529.db2.gz	KBBRMGXKUYMAEO-OVCLIPMQSA-N	-1	3	276.679	3.704	50	30		CHEAHM
CSc1nc2c(c(-c3ccc([O-])cc3)c1C#N)CCCC2	ZINC000000245783	570296872	/nfs/dbraw/zinc/29/68/72/570296872.db2.gz	KXDAZZNECWGRCM-UHFFFAOYSA-N	-1	3	296.395	3.927	50	30		CHEAHM
C[C@@H](C#N)Sc1nnc([N-]c2ccccc2Cl)s1	ZINC000009154201	170364805	/nfs/dbraw/zinc/36/48/05/170364805.db2.gz	IWLSZOJNGIBWOF-ZETCQYMHSA-N	-1	3	296.808	3.939	50	30		CHEAHM
O=C(/C=C/c1ccccc1[O-])c1ccc(OC(F)F)cc1	ZINC000004856355	260016505	/nfs/dbraw/zinc/01/65/05/260016505.db2.gz	MBMAKHQCGHNEAY-JXMROGBWSA-N	-1	3	290.265	3.890	50	30		CHEAHM
CC(C)[C@@H](Sc1ccccc1)C1=C([O-])CCC1=O	ZINC000101082245	328755491	/nfs/dbraw/zinc/75/54/91/328755491.db2.gz	FUVVVDMGLGEIHU-OAHLLOKOSA-N	-1	3	262.374	3.978	50	30		CHEAHM
O=C(/C=C/c1ccccc1OC(F)F)c1cccc([O-])c1	ZINC000006790138	527637043	/nfs/dbraw/zinc/63/70/43/527637043.db2.gz	WNJOACZRNORYQF-CMDGGOBGSA-N	-1	3	290.265	3.890	50	30		CHEAHM
C=C(C)Cc1c(C)nc(-c2ccc(Cl)cc2)[n-]c1=O	ZINC000013468345	570340377	/nfs/dbraw/zinc/34/03/77/570340377.db2.gz	YJSWGIVHKCNBKC-UHFFFAOYSA-N	-1	3	274.751	3.517	50	30		CHEAHM
CCN(CC)c1ccc(C=Nc2cccc(C#N)c2)c([O-])c1	ZINC000252463149	567053871	/nfs/dbraw/zinc/05/38/71/567053871.db2.gz	ZFQMPLQNASJRAS-UHFFFAOYSA-N	-1	3	293.370	3.861	50	30		CHEAHM
Nc1ccccc1N=Cc1c([O-])ccc2ccccc21	ZINC000252628628	567069732	/nfs/dbraw/zinc/06/97/32/567069732.db2.gz	SUOLQBYAKOKEDZ-UHFFFAOYSA-N	-1	3	262.312	3.878	50	30		CHEAHM
COc1ccc(/C(C)=N/[O-])cc1CSc1ccccn1	ZINC000000137662	567819633	/nfs/dbraw/zinc/81/96/33/567819633.db2.gz	RCBSBRSAGNDOOR-GZTJUZNOSA-N	-1	3	288.372	3.581	50	30		CHEAHM
O=C1c2ccccc2S/C1=C\c1ccccc1[O-]	ZINC000013582142	567866738	/nfs/dbraw/zinc/86/67/38/567866738.db2.gz	HLPGRFCGYOULHX-ZROIWOOFSA-N	-1	3	254.310	3.722	50	30		CHEAHM
[O-]c1ccccc1/C=N/Cc1ccc(Br)cc1	ZINC000057411786	567890058	/nfs/dbraw/zinc/89/00/58/567890058.db2.gz	ZGUYYDRCJDNPMQ-MHWRWJLKSA-N	-1	3	290.160	3.774	50	30		CHEAHM
CC(C)/N=C/c1c2c(ccc1[O-])oc1c2CCCC1	ZINC000100086710	567911436	/nfs/dbraw/zinc/91/14/36/567911436.db2.gz	YYKPHSFULFMFLS-RQZCQDPDSA-N	-1	3	257.333	3.845	50	30		CHEAHM
CCS[C@@H](C)C[C@@H]1Cc2onc(CC)c2/C(=N\[O-])C1	ZINC000100551866	567913438	/nfs/dbraw/zinc/91/34/38/567913438.db2.gz	KQTKQKSKKRBLDB-BFQJWLLSSA-N	-1	3	282.409	3.509	50	30		CHEAHM
C=CCOc1ccc(/C=C/C(=O)c2cccc([O-])c2)cc1	ZINC000023165178	570310988	/nfs/dbraw/zinc/31/09/88/570310988.db2.gz	XOGPFUDPNMJMQT-DHZHZOJOSA-N	-1	3	280.323	3.853	50	30		CHEAHM
N#C[C@@H](c1ccccc1[O-])N1CCCC[C@H]1c1cccnc1	ZINC000252694130	570378641	/nfs/dbraw/zinc/37/86/41/570378641.db2.gz	IDQFGKVZIKXFRS-IRXDYDNUSA-N	-1	3	293.370	3.579	50	30	biogenic	CHEAHM
COc1cc(C(=O)/C=C\c2ccccc2C)ccc1[O-]	ZINC000097993510	533507185	/nfs/dbraw/zinc/50/71/85/533507185.db2.gz	IFTVVEZSBGYXQZ-CLFYSBASSA-N	-1	3	268.312	3.605	50	30		CHEAHM
Cc1nc2ccccc2c([O-])c1C(=O)C=Cc1ccccc1	ZINC000009046080	170362096	/nfs/dbraw/zinc/36/20/96/170362096.db2.gz	GLMXCYNQAMJMGO-VAWYXSNFSA-N	-1	3	289.334	3.733	50	30	biogenic	CHEAHM
C/C(=N\[O-])c1ccc(OCc2ccc(C)cc2)cc1	ZINC000021801778	171326136	/nfs/dbraw/zinc/32/61/36/171326136.db2.gz	VUPMGBCXJDFDLS-GHRIWEEISA-N	-1	3	255.317	3.772	50	30		CHEAHM
Cc1noc(C)c1[N-]C(=O)c1csc(CC(C)C)n1	ZINC000330494462	328462139	/nfs/dbraw/zinc/46/21/39/328462139.db2.gz	UYNDBNUFSGFLIC-UHFFFAOYSA-N	-1	3	279.365	3.583	50	30		CHEAHM
CCOc1cccc(/C=N/c2cc(CC)ccc2[O-])c1O	ZINC000000433336	528627930	/nfs/dbraw/zinc/62/79/30/528627930.db2.gz	RHIBZKSIYPMBQN-WOJGMQOQSA-N	-1	3	285.343	3.810	50	30		CHEAHM
CC(C)(C)NC(=O)c1ccc(N=Cc2cccc([O-])c2)cc1	ZINC000252626617	567069916	/nfs/dbraw/zinc/06/99/16/567069916.db2.gz	RCFGKDJEKYMBGI-UHFFFAOYSA-N	-1	3	296.370	3.671	50	30		CHEAHM
COc1ccc([C@@H](C)/N=C/c2ccccc2[O-])cc1OC	ZINC000057411814	567155468	/nfs/dbraw/zinc/15/54/68/567155468.db2.gz	KICWJLCCKPSPAG-MBNTZHJCSA-N	-1	3	285.343	3.590	50	30		CHEAHM
C=C1C(=O)c2ccccc2C([O-])=C1SC(C)(C)C	ZINC000000367507	567827241	/nfs/dbraw/zinc/82/72/41/567827241.db2.gz	ZWKJIPATARJRIF-UHFFFAOYSA-N	-1	3	260.358	3.871	50	30		CHEAHM
[O-]c1ccc(Cl)cc1C=Nc1ccc2c[nH]nc2c1	ZINC000017948474	567876279	/nfs/dbraw/zinc/87/62/79/567876279.db2.gz	RDVAAGNYEDHVGL-FRKPEAEDSA-N	-1	3	271.707	3.673	50	30		CHEAHM
COC(=O)c1ccccc1/N=C/c1cc(Cl)ccc1[O-]	ZINC000016978544	570225469	/nfs/dbraw/zinc/22/54/69/570225469.db2.gz	URJYPMDUSRVBJY-RQZCQDPDSA-N	-1	3	289.718	3.583	50	30		CHEAHM
CC1=NN([C@H](C#N)c2ccccc2[O-])[C@H](c2ccccc2)C1	ZINC000229951584	570316976	/nfs/dbraw/zinc/31/69/76/570316976.db2.gz	UHLAYLCGCDNPDG-DLBZAZTESA-N	-1	3	291.354	3.780	50	30		CHEAHM
O=[N+]([O-])c1cc(/N=C/c2ccccc2[O-])ccc1Cl	ZINC000000293529	570341890	/nfs/dbraw/zinc/34/18/90/570341890.db2.gz	DEUJGYIWFOAIAD-OVCLIPMQSA-N	-1	3	276.679	3.704	50	30		CHEAHM
N#Cc1c([N-]C(=O)c2ccco2)sc2c1CCCCC2	ZINC000000245515	570387513	/nfs/dbraw/zinc/38/75/13/570387513.db2.gz	QAWOGIQRZNVTHT-UHFFFAOYSA-N	-1	3	286.356	3.734	50	30		CHEAHM
N#CCCCSc1nnc([N-]c2ccccc2F)s1	ZINC000006638570	230369790	/nfs/dbraw/zinc/36/97/90/230369790.db2.gz	PQBAVJQSUYFHKX-UHFFFAOYSA-N	-1	3	294.380	3.817	50	30		CHEAHM
O=C1c2cccc([O-])c2C/C1=C\c1ccc(Cl)cc1	ZINC000096931911	185132439	/nfs/dbraw/zinc/13/24/39/185132439.db2.gz	HQPGYYFEXMQWST-DHZHZOJOSA-N	-1	3	270.715	3.868	50	30		CHEAHM
COc1ccc(N/C(=N\[O-])c2ccccc2)cc1Cl	ZINC000004698188	170001184	/nfs/dbraw/zinc/00/11/84/170001184.db2.gz	PRSYGFUMCWUQKQ-UHFFFAOYSA-N	-1	3	276.723	3.597	50	30		CHEAHM
Cc1cc(C)c2c(/N=C/c3ccccc3[O-])c(N)sc2n1	ZINC000004708443	170002921	/nfs/dbraw/zinc/00/29/21/170002921.db2.gz	DDQRQXTVUUBSQK-QGMBQPNBSA-N	-1	3	297.383	3.952	50	30		CHEAHM
CCOc1cc(/C=N/c2oc(C)c(C)c2C#N)ccc1[O-]	ZINC000004739705	170008478	/nfs/dbraw/zinc/00/84/78/170008478.db2.gz	QVVFCMOZFUZEKX-GIJQJNRQSA-N	-1	3	284.315	3.623	50	30		CHEAHM
C=CCc1cccc(C=NNc2ccc(OC)cc2)c1[O-]	ZINC000004837526	170026747	/nfs/dbraw/zinc/02/67/47/170026747.db2.gz	CCGSVKOYVJJEGS-LDADJPATSA-N	-1	3	282.343	3.575	50	30		CHEAHM
COc1cc(C(=O)/C=C/c2cccc(Cl)c2)ccc1[O-]	ZINC000008322722	170330950	/nfs/dbraw/zinc/33/09/50/170330950.db2.gz	BXUZIOGKWBZCGZ-FNORWQNLSA-N	-1	3	288.730	3.950	50	30		CHEAHM
C=CCc1cccc(C=Nc2ccc3nccnc3c2)c1[O-]	ZINC000252462586	567052496	/nfs/dbraw/zinc/05/24/96/567052496.db2.gz	UMVMEHSXZQMRKX-UHFFFAOYSA-N	-1	3	289.338	3.815	50	30		CHEAHM
COc1ccc(N=Cc2cc(Cl)ccc2[O-])cc1OC	ZINC000252617762	567068154	/nfs/dbraw/zinc/06/81/54/567068154.db2.gz	KZSPKNZRBKAHBU-UHFFFAOYSA-N	-1	3	291.734	3.813	50	30		CHEAHM
COc1ccc([C@H](C)/N=C/c2ccccc2[O-])cc1	ZINC000057411860	567156524	/nfs/dbraw/zinc/15/65/24/567156524.db2.gz	FZPWOAXJSZHEHP-OOIIIRTPSA-N	-1	3	255.317	3.581	50	30		CHEAHM
CCN(CC)c1ccc(/N=C/c2ccc([O-])cc2)cc1	ZINC000000173984	567821496	/nfs/dbraw/zinc/82/14/96/567821496.db2.gz	CTGUHJWZWPATNB-QGOAFFKASA-N	-1	3	268.360	3.989	50	30		CHEAHM
CCOc1ccccc1/C=N/c1ccc(C)cc1[O-]	ZINC000000297267	567824231	/nfs/dbraw/zinc/82/42/31/567824231.db2.gz	BFAYQPONUTUEAE-GZTJUZNOSA-N	-1	3	255.317	3.850	50	30		CHEAHM
CCOc1ccccc1/C=C\C(=O)c1cccc([O-])c1	ZINC000096792659	230386110	/nfs/dbraw/zinc/38/61/10/230386110.db2.gz	FCWTUYPLFDKASY-KHPPLWFESA-N	-1	3	268.312	3.687	50	30		CHEAHM
COc1cc(C(=O)/C=C/c2ccc(F)c(F)c2)ccc1[O-]	ZINC000008322739	170331076	/nfs/dbraw/zinc/33/10/76/170331076.db2.gz	ZVVPHQHLRMLTEN-ZZXKWVIFSA-N	-1	3	290.265	3.575	50	30		CHEAHM
CCOc1cc(/C=N/[O-])ccc1OCc1cccc(F)c1	ZINC000016689181	528201257	/nfs/dbraw/zinc/20/12/57/528201257.db2.gz	OABILWIWJAJUCM-VCHYOVAHSA-N	-1	3	289.306	3.612	50	30		CHEAHM
Cc1cccnc1/N=C/c1c([O-])ccc2ccccc21	ZINC000013573309	566896900	/nfs/dbraw/zinc/89/69/00/566896900.db2.gz	KVJQPVPRIHFWLW-YBFXNURJSA-N	-1	3	262.312	3.999	50	30		CHEAHM
O=C(CCC1CCCCC1)Nc1nnc(C(F)(F)F)[n-]1	ZINC000036744309	567005683	/nfs/dbraw/zinc/00/56/83/567005683.db2.gz	BLXFWLFGKFGELH-UHFFFAOYSA-N	-1	3	290.289	3.772	50	30		CHEAHM
O=C(CCC1CCCCC1)Nc1nc(C(F)(F)F)n[n-]1	ZINC000036744309	567005688	/nfs/dbraw/zinc/00/56/88/567005688.db2.gz	BLXFWLFGKFGELH-UHFFFAOYSA-N	-1	3	290.289	3.772	50	30		CHEAHM
CCCc1cc(=O)[n-]c(C(=Cc2cc(C#N)cs2)CC)n1	ZINC000193618758	567060055	/nfs/dbraw/zinc/06/00/55/567060055.db2.gz	IREAMCZGLYMBCE-GHXNOFRVSA-N	-1	3	299.399	3.606	50	30		CHEAHM
Cc1c(Cl)cccc1/N=C/c1cccc([O-])c1O	ZINC000000065490	567817320	/nfs/dbraw/zinc/81/73/20/567817320.db2.gz	ZJBPWNQHWKYHOB-LZYBPNLTSA-N	-1	3	261.708	3.810	50	30		CHEAHM
CCCOC(=O)c1ccc(/N=C/c2ccc([O-])cc2)cc1	ZINC000004119258	567855455	/nfs/dbraw/zinc/85/54/55/567855455.db2.gz	NQEMJXIBGAFDSR-LDADJPATSA-N	-1	3	283.327	3.710	50	30		CHEAHM
Cc1sc(=NN=Cc2ccco2)[n-]c1-c1ccccc1	ZINC000004190891	567855657	/nfs/dbraw/zinc/85/56/57/567855657.db2.gz	CTQQNOAZROJVOQ-MHWRWJLKSA-N	-1	3	283.356	3.579	50	30		CHEAHM
[O-]c1ccc2ccccc2c1C=NNc1ccccc1	ZINC000004263365	567856552	/nfs/dbraw/zinc/85/65/52/567856552.db2.gz	WWIIENGSINYUES-LDADJPATSA-N	-1	3	262.312	3.991	50	30		CHEAHM
O=C1C=C(c2ccccc2)/C(=N/[O-])C=C1c1ccccc1	ZINC000004532645	567858168	/nfs/dbraw/zinc/85/81/68/567858168.db2.gz	YUUWDSAVNUVPPZ-HTXNQAPBSA-N	-1	3	275.307	3.567	50	30		CHEAHM
CCCc1ccc([O-])c(/N=C/c2ccc([N+](=O)[O-])o2)c1	ZINC000004550252	567858208	/nfs/dbraw/zinc/85/82/08/567858208.db2.gz	HADAUTVGXOIBBP-OQLLNIDSSA-N	-1	3	274.276	3.597	50	30		CHEAHM
[O-]/N=C/C1=C(Cl)c2cc(Cl)ccc2SC1	ZINC000000107612	567935485	/nfs/dbraw/zinc/93/54/85/567935485.db2.gz	WFISAXJLCBRBCG-YIXHJXPBSA-N	-1	3	260.145	3.856	50	30		CHEAHM
COc1ccc(/N=C/c2ccccc2[O-])cc1Cl	ZINC000100037332	570257093	/nfs/dbraw/zinc/25/70/93/570257093.db2.gz	XEEGVWCBNUYBFT-CXUHLZMHSA-N	-1	3	261.708	3.805	50	30		CHEAHM
COc1cc(OC)c(/N=C/c2ccccc2[O-])cc1Cl	ZINC000100037346	570257155	/nfs/dbraw/zinc/25/71/55/570257155.db2.gz	VTSXAEWTTOXZHR-RQZCQDPDSA-N	-1	3	291.734	3.813	50	30		CHEAHM