smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccccc1COc1c(Cl)cc(/C=N\O)cc1Br	ZINC000216910685	210170996	/nfs/dbraw/zinc/17/09/96/210170996.db2.gz	LOFBNTCUGOJZIR-LSCVHKIXSA-N	-1	0	354.631	4.798	40	30		FJEBRM
Cc1ccc(/C=N/c2ccccc2[N-]S(=O)(=O)c2ccc(C)cc2)cc1	ZINC000017429144	211186198	/nfs/dbraw/zinc/18/61/98/211186198.db2.gz	ZWPLIIXBQOIWBT-PXLXIMEGSA-N	-1	0	364.470	4.855	40	30		FJEBRM
O=C(C=C([O-])c1ccc(Cl)cc1)C(=O)Nc1cccc2ccccc21	ZINC000016544900	211162798	/nfs/dbraw/zinc/16/27/98/211162798.db2.gz	PGHYKPPPXNNYRI-UNOMPAQXSA-N	-1	0	351.789	4.757	40	30		FJEBRM
CCn1c(=O)c(C(=O)/C=C/c2ccc3ccccc3c2)c([O-])c2ccccc21	ZINC000100192691	222238075	/nfs/dbraw/zinc/23/80/75/222238075.db2.gz	OVBPUGUJTMBOMP-WYMLVPIESA-N	-1	0	369.420	4.776	40	30		FJEBRM
Cc1ccc(/N=C\c2ccc(-c3ccc(C(=O)[O-])cc3C)o2)cc1[N+](=O)[O-]	ZINC000408963431	263510447	/nfs/dbraw/zinc/51/04/47/263510447.db2.gz	ZKIFKNUEWPUBFD-NHDPSOOVSA-N	-1	0	364.357	4.920	40	30		FJEBRM
C=C[C@]1(C)CC2=CC[C@H]3[C@](C)(C(=O)[O-])CCC[C@]3(C)[C@H]2C[C@H]1OC(C)=O	ZINC000035464984	560081564	/nfs/dbraw/zinc/08/15/64/560081564.db2.gz	TUKYTUMQZQFKNX-BXOMYGOZSA-N	-1	0	360.494	4.748	40	30	biogenic,in-vitro	FJEBRM
COc1ccccc1/N=C/c1cn(Cc2ccc(C(=O)[O-])o2)c2ccccc12	ZINC000408542629	570526566	/nfs/dbraw/zinc/52/65/66/570526566.db2.gz	MQTGKPNALCJAML-FSJBWODESA-N	-1	0	374.396	4.740	40	30		FJEBRM
O=C([O-])c1ccc(Cn2cc(/C=N/c3cccc(F)c3)c3ccccc32)o1	ZINC000408541189	570528407	/nfs/dbraw/zinc/52/84/07/570528407.db2.gz	FFEDSIPXPOUDHS-FOKLQQMPSA-N	-1	0	362.360	4.871	40	30		FJEBRM
N=C1SC(=Cc2cccc(Cl)c2Cl)C([O-])=C1c1nccs1	ZINC000135860544	570628399	/nfs/dbraw/zinc/62/83/99/570628399.db2.gz	JWNWPPAIXVDRBY-LBIGTAQFSA-N	-1	0	355.271	4.868	40	30		FJEBRM
CCOC(=O)c1ccc(-c2ccc(/C=N/c3ccc(C(=O)[O-])cc3)o2)cc1	ZINC000408912446	570697543	/nfs/dbraw/zinc/69/75/43/570697543.db2.gz	GJATXZHJRZZBQS-LPYMAVHISA-N	-1	0	363.369	4.572	40	30		FJEBRM
O=C([O-])c1ccc(/N=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)cc1	ZINC000408909589	570697927	/nfs/dbraw/zinc/69/79/27/570697927.db2.gz	HGIUHHCONVTZRA-KEBDBYFISA-N	-1	0	370.748	4.957	40	30		FJEBRM
COc1cccc(/N=C/c2cc(C)n(-c3ccc(C(=O)[O-])cc3C)c2C)c1	ZINC000408915475	570699262	/nfs/dbraw/zinc/69/92/62/570699262.db2.gz	VWNBSVPDRZXEFK-YDZHTSKRSA-N	-1	0	362.429	4.860	40	30		FJEBRM
O=C([O-])c1cccc(-n2cccc2/C=N/c2ccc(Br)cc2)c1	ZINC000409098830	570723653	/nfs/dbraw/zinc/72/36/53/570723653.db2.gz	MEHDBVKHHKLKIM-UDWIEESQSA-N	-1	0	369.218	4.689	40	30		FJEBRM
COc1cccc(/C=N\c2ccc(Cl)cc2Cl)c1O[C@H](C)C(=O)[O-]	ZINC000409244939	570745021	/nfs/dbraw/zinc/74/50/21/570745021.db2.gz	KUYXLWJYHGKUAG-ZHLXBYETSA-N	-1	0	368.216	4.605	40	30		FJEBRM
Cc1cc(/C=N\c2ccc(Cl)c(C(=O)[O-])c2)c(C)n1-c1ccccn1	ZINC000409244201	570746627	/nfs/dbraw/zinc/74/66/27/570746627.db2.gz	ZIMHVLCZAVHOEQ-JJFYIABZSA-N	-1	0	353.809	4.591	40	30		FJEBRM
O=C(C=C([O-])c1ccc(Cl)cc1)C(F)(F)C(F)(F)C(F)(F)F	ZINC000009113074	570798593	/nfs/dbraw/zinc/79/85/93/570798593.db2.gz	VEDHCVWFDRRRSA-YVMONPNESA-N	-1	0	350.617	4.641	40	30		FJEBRM
O=C([O-])c1cccc(-c2ccc(C=NN=c3[nH]c4ccccc4s3)o2)c1	ZINC000016545413	570858125	/nfs/dbraw/zinc/85/81/25/570858125.db2.gz	OWUDGUNBNDBXHA-JAIQZWGSSA-N	-1	0	363.398	4.701	40	30		FJEBRM
O=[N+]([O-])c1ccc([O-])c(CN=Nc2nc(-c3ccc(Cl)cc3)cs2)c1	ZINC000059387418	571090428	/nfs/dbraw/zinc/09/04/28/571090428.db2.gz	HQPAZDRSHYLCTN-QGMBQPNBSA-N	-1	0	374.809	4.523	40	30		FJEBRM
COc1ccc([C@@H](C#N)C2CCC(C(=O)[O-])CC2)cc1OC1CCCC1	ZINC000575449218	571174589	/nfs/dbraw/zinc/17/45/89/571174589.db2.gz	DQDQOCDSQNFGTG-JMLCCBQJSA-N	-1	0	357.450	4.515	40	30		FJEBRM
N=C1SC(=Cc2ccc(Cl)cc2Cl)C([O-])=C1c1nccs1	ZINC000033708853	571310580	/nfs/dbraw/zinc/31/05/80/571310580.db2.gz	NESHSZKCFWCNAH-FDMSUBTMSA-N	-1	0	355.271	4.868	40	30		FJEBRM
CCc1nnc(C2=C([O-])C(=Cc3ccc(C(C)(C)C)cc3)SC2=N)s1	ZINC000033694571	571310618	/nfs/dbraw/zinc/31/06/18/571310618.db2.gz	LCFVPKBXYBSPDZ-BRMOQPHUSA-N	-1	0	371.531	4.816	40	30		FJEBRM
C[C@H](Oc1ccc(/C=N/N(c2ccccc2)c2ccccc2)cc1)C(=O)[O-]	ZINC000039557417	571310789	/nfs/dbraw/zinc/31/07/89/571310789.db2.gz	VJYGTMSMYDQFRP-CSUZIONRSA-N	-1	0	360.413	4.711	40	30		FJEBRM
C=C1[C@H]2C[C@@]3(CC[C@H]4[C@](C)(C(=O)[O-])CCC[C@@]4(C)[C@H]3CC2)[C@H]1OC(C)=O	ZINC000031157682	206505881	/nfs/dbraw/zinc/50/58/81/206505881.db2.gz	AQBQBBLJTDSVLC-OJHYWNACSA-N	-1	0	360.494	4.582	40	30	biogenic,in-vitro	FJEBRM
Cc1cc2c(cc1C=[NH+][N-]c1ccc(C(=O)[O-])cc1)[C@H](C)CC(C)(C)N2C	ZINC000208211026	132268761	/nfs/dbraw/zinc/26/87/61/132268761.db2.gz	UZNJFZIFHYHFAG-KSJDGYIASA-N	-1	0	365.477	4.861	40	30		FJEBRM
O=[N+]([O-])c1cc(Cl)cc(/C=N/c2ccc(N3CCCCC3)cc2)c1[O-]	ZINC000003191638	132384878	/nfs/dbraw/zinc/38/48/78/132384878.db2.gz	ITRHSIOLGCQXJK-UDWIEESQSA-N	-1	0	359.813	4.695	40	30		FJEBRM
C=CCc1cc(/C=N/c2ccccc2C(C)C)cc(OC)c1OCC(=O)[O-]	ZINC000059248940	263417354	/nfs/dbraw/zinc/41/73/54/263417354.db2.gz	CAFAPWLKZQFYCK-YDZHTSKRSA-N	-1	0	367.445	4.761	40	30		FJEBRM
Cc1cc(/C=N/c2ccc(O)c(C(=O)[O-])c2)c(C)n1-c1ccc(Cl)cc1	ZINC000408737468	263493915	/nfs/dbraw/zinc/49/39/15/263493915.db2.gz	BCPNAAMGKDTDMT-SSDVNMTOSA-N	-1	0	368.820	4.902	40	30		FJEBRM
C=C1C[C@H](O)[C@H](CCCCCCC(=O)[O-])[C@H]1CCC(=O)CCCCC	ZINC000064857711	518666955	/nfs/dbraw/zinc/66/69/55/518666955.db2.gz	CIGRLDHIXLOIRP-ZCNNSNEGSA-N	-1	0	352.515	4.894	40	30	in-vitro	FJEBRM
CCCCC(C)(C)[C@H](O)/C=C/[C@H]1C=CC(=O)[C@H]1C/C=C\CCCC(=O)[O-]	ZINC000027639091	519916886	/nfs/dbraw/zinc/91/68/86/519916886.db2.gz	MOTPSJUHMGPRFZ-YNACZOQASA-N	-1	0	362.510	4.692	40	30	in-vitro	FJEBRM
C=C1[C@@H](OC(C)=O)[C@@]23C[C@@H]1CC[C@H]2[C@@]1(C)CCC[C@@](C)(C(=O)[O-])[C@H]1CC3	ZINC000004104838	560197037	/nfs/dbraw/zinc/19/70/37/560197037.db2.gz	AQBQBBLJTDSVLC-FXEQNPHBSA-N	-1	0	360.494	4.582	40	30	biogenic,in-vitro	FJEBRM
COc1ccc(-c2n[n-]c(=S)n2N=CC(Cl)=Cc2ccccc2)cc1	ZINC000008572586	570683298	/nfs/dbraw/zinc/68/32/98/570683298.db2.gz	ZHBYKSVJOSXGLA-FZDVSRPBSA-N	-1	0	370.865	4.730	40	30		FJEBRM
Cc1cc(/C=N\c2cc(C(=O)[O-])ccc2C)c(C)n1-c1ccc(F)cc1	ZINC000408784122	570687351	/nfs/dbraw/zinc/68/73/51/570687351.db2.gz	SBVGNPKMKJXJSE-FMCGGJTJSA-N	-1	0	350.393	4.990	40	30		FJEBRM
Cc1cc(/C=N\c2ccc(O)c(C(=O)[O-])c2)c(C)n1-c1ccc(C)c(C)c1	ZINC000408741370	570687647	/nfs/dbraw/zinc/68/76/47/570687647.db2.gz	PLMXFTTUZMGPEI-FMCGGJTJSA-N	-1	0	362.429	4.865	40	30		FJEBRM
Cc1cc([N+](=O)[O-])ccc1/N=C/c1ccc(-c2ccc(C(=O)[O-])cc2C)o1	ZINC000408960820	570702989	/nfs/dbraw/zinc/70/29/89/570702989.db2.gz	OJBSMNXMQYANMI-SRZZPIQSSA-N	-1	0	364.357	4.920	40	30		FJEBRM
CN(C)c1ccc(/N=C\c2ccccc2OCc2ccc(C(=O)[O-])cc2)cc1	ZINC000408960387	570703437	/nfs/dbraw/zinc/70/34/37/570703437.db2.gz	LHMPSPBIGTZKEA-IWIPYMOSSA-N	-1	0	374.440	4.780	40	30		FJEBRM
Cc1ccc(Cl)cc1/N=C/c1cc(Br)cc([N+](=O)[O-])c1[O-]	ZINC000409094288	570721155	/nfs/dbraw/zinc/72/11/55/570721155.db2.gz	DHQYAITXACEAAY-REZTVBANSA-N	-1	0	369.602	4.775	40	30		FJEBRM
Cc1cc(C(=O)[O-])ccc1NC=CC(=O)c1ccc(Cl)cc1Cl	ZINC000409182083	570736927	/nfs/dbraw/zinc/73/69/27/570736927.db2.gz	IONJCRGUTCWXCD-VOTSOKGWSA-N	-1	0	350.201	4.809	40	30		FJEBRM
CCOc1ccc(-n2c(C)cc(/C=N/c3ccc(C(=O)[O-])cc3)c2C)cc1	ZINC000409184092	570737228	/nfs/dbraw/zinc/73/72/28/570737228.db2.gz	IQFIILPMUYYVQB-OEAKJJBVSA-N	-1	0	362.429	4.942	40	30		FJEBRM
COc1ccc(Cl)cc1/N=C/c1cccn1-c1ccc(C(=O)[O-])cc1	ZINC000409230837	570743937	/nfs/dbraw/zinc/74/39/37/570743937.db2.gz	GEXRYXBHSSFPLX-CIAFOILYSA-N	-1	0	354.793	4.588	40	30		FJEBRM
O=[N+]([O-])c1ccc([O-])c(-c2ccc(C=NNc3cccc(Cl)c3)o2)c1	ZINC000035188682	571075984	/nfs/dbraw/zinc/07/59/84/571075984.db2.gz	SGCJRGJKXNLHNI-VXLYETTFSA-N	-1	0	357.753	4.660	40	30		FJEBRM
COc1ccccc1/N=C/c1ccccc1OCc1ccc(C(=O)[O-])cc1	ZINC000145604044	571311148	/nfs/dbraw/zinc/31/11/48/571311148.db2.gz	QPEXBRVLEZURSV-OEAKJJBVSA-N	-1	0	361.397	4.723	40	30		FJEBRM
CC(=O)c1ccc(N=Cc2cc(Cc3ccccc3)cc([N+](=O)[O-])c2[O-])cc1	ZINC000006022695	204235016	/nfs/dbraw/zinc/23/50/16/204235016.db2.gz	TUHSMVNSJPITOD-OEAKJJBVSA-N	-1	0	374.396	4.844	40	30		FJEBRM
O=C([O-])c1ccc([N-][NH+]=Cc2sc(Nc3ccccc3)nc2Cl)cc1	ZINC000007890753	206211189	/nfs/dbraw/zinc/21/11/89/206211189.db2.gz	LFOKJFDLXKTEDN-VXLYETTFSA-N	-1	0	372.837	4.684	40	30		FJEBRM
CCCc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1cccc(C(F)(F)F)c1	ZINC000017063260	211175615	/nfs/dbraw/zinc/17/56/15/211175615.db2.gz	JTQMOTOWYNQIGD-JJIBRWJFSA-N	-1	0	374.366	4.676	40	30		FJEBRM
O=[N+]([O-])c1cc(Br)cc(/C=N\c2ccc3ccccc3c2)c1[O-]	ZINC000105987771	222380247	/nfs/dbraw/zinc/38/02/47/222380247.db2.gz	PSPVOUKPNFTHHP-GRSHGNNSSA-N	-1	0	371.190	4.967	40	30		FJEBRM
C=C1C[C@H](O)[C@@H](CCCCCCC(=O)[O-])[C@H]1CCC(=O)CCCCC	ZINC000064857708	518667683	/nfs/dbraw/zinc/66/76/83/518667683.db2.gz	CIGRLDHIXLOIRP-UFYCRDLUSA-N	-1	0	352.515	4.894	40	30	in-vitro	FJEBRM
Cc1cc(/C=N\c2ccc([N+](=O)[O-])cc2[O-])c(C)n1-c1ccc(F)cc1	ZINC000004859427	570671847	/nfs/dbraw/zinc/67/18/47/570671847.db2.gz	VLWCATJYLYOPOH-NHDPSOOVSA-N	-1	0	353.353	4.598	40	30		FJEBRM
Cc1ccc(-c2ccc(/C=N\c3ccc([N+](=O)[O-])cc3)o2)cc1C(=O)[O-]	ZINC000408849779	570692526	/nfs/dbraw/zinc/69/25/26/570692526.db2.gz	ZBLFVSIVIYYAEL-JAIQZWGSSA-N	-1	0	350.330	4.612	40	30		FJEBRM
Cc1ccc(C)n1-c1ccc(/N=C\c2ccc(O[C@@H](C)C(=O)[O-])cc2)cc1	ZINC000408854719	570693324	/nfs/dbraw/zinc/69/33/24/570693324.db2.gz	AOGYSJHVPKNHSJ-PGECNJAHSA-N	-1	0	362.429	4.697	40	30		FJEBRM
Cc1cc(/C=N\c2ccccc2O)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1	ZINC000408955279	570702448	/nfs/dbraw/zinc/70/24/48/570702448.db2.gz	XXFXPNMYTCBBAT-JJFYIABZSA-N	-1	0	368.820	4.902	40	30		FJEBRM
O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1ccc(Cl)cc1/C=N/[O-]	ZINC000409076824	570718972	/nfs/dbraw/zinc/71/89/72/570718972.db2.gz	CJCFXRKZFPFPAD-FBCYGCLPSA-N	-1	0	360.675	4.867	40	30		FJEBRM
COc1ccccc1Oc1ccc(/N=C/c2cccc([N+](=O)[O-])c2[O-])cc1	ZINC000409071166	570719476	/nfs/dbraw/zinc/71/94/76/570719476.db2.gz	IHHHAUYYZUPQNT-FYJGNVAPSA-N	-1	0	364.357	4.852	40	30		FJEBRM
CC(C)c1ccc(/N=C/c2cc([N+](=O)[O-])cc(Br)c2[O-])cc1	ZINC000409073548	570719899	/nfs/dbraw/zinc/71/98/99/570719899.db2.gz	ZVACPWVQLWGTTI-GIJQJNRQSA-N	-1	0	363.211	4.937	40	30		FJEBRM
COc1cccc(Oc2ccc(/N=C/c3cc([N+](=O)[O-])ccc3[O-])cc2)c1	ZINC000409104498	570722653	/nfs/dbraw/zinc/72/26/53/570722653.db2.gz	JDHZJODHMUOQAM-FYJGNVAPSA-N	-1	0	364.357	4.852	40	30		FJEBRM
[O-]c1c(Cl)cc(C=NNc2ccc(C(F)(F)F)cn2)cc1Cl	ZINC000409097014	570723145	/nfs/dbraw/zinc/72/31/45/570723145.db2.gz	LUEHBHVCZVYMJQ-DENHBWNVSA-N	-1	0	350.127	4.559	40	30		FJEBRM
Cc1cccc(/N=C/c2cc(Cl)c(OCC(=O)[O-])c(Cl)c2)c1C	ZINC000409201755	570740135	/nfs/dbraw/zinc/74/01/35/570740135.db2.gz	NVKFNOCYLYQTKJ-DNTJNYDQSA-N	-1	0	352.217	4.824	40	30		FJEBRM
CC[C@@H](C)c1ccc(/N=C/c2cccc(OC)c2O[C@@H](C)C(=O)[O-])cc1	ZINC000409242559	570746295	/nfs/dbraw/zinc/74/62/95/570746295.db2.gz	OOLDWDOAMAYTKV-RHJMSYDWSA-N	-1	0	355.434	4.811	40	30		FJEBRM
O=C([O-])c1ccc(-n2cccc2/C=N/c2ccc(Br)cc2)cc1	ZINC000409252530	570746656	/nfs/dbraw/zinc/74/66/56/570746656.db2.gz	SKZLSAXEKQETGZ-UDWIEESQSA-N	-1	0	369.218	4.689	40	30		FJEBRM
Cc1cc([N+](=O)[O-])cc(/C=N/c2ccc3oc(-c4cccnc4)nc3c2)c1[O-]	ZINC000035188659	571076045	/nfs/dbraw/zinc/07/60/45/571076045.db2.gz	PDJOXQMCLLXNJJ-SSDVNMTOSA-N	-1	0	374.356	4.563	40	30		FJEBRM
C=CCc1cc(/C=N/c2ccc(C)c(Cl)c2)cc(OC)c1OCC(=O)[O-]	ZINC000059679718	571092825	/nfs/dbraw/zinc/09/28/25/571092825.db2.gz	WQUWPBSQKRSGCM-SSDVNMTOSA-N	-1	0	373.836	4.600	40	30		FJEBRM
CCOc1cc([N+](=O)[O-])cc(C=Nc2ccc3c4c(cccc42)CC3)c1[O-]	ZINC000254704693	571292003	/nfs/dbraw/zinc/29/20/03/571292003.db2.gz	PGWXEYCOQRWYRG-UHFFFAOYSA-N	-1	0	362.385	4.702	40	30		FJEBRM
Cc1ccccc1/N=C/c1cc(Br)c([O-])c(Br)c1	ZINC000005548985	571295015	/nfs/dbraw/zinc/29/50/15/571295015.db2.gz	FULJYUQPNYQHJV-CAOOACKPSA-N	-1	0	369.056	4.976	40	30		FJEBRM
Cc1cc(N2CCCC2)c(F)cc1/C=N/c1cc(C(=O)[O-])ccc1Cl	ZINC000006545709	571310427	/nfs/dbraw/zinc/31/04/27/571310427.db2.gz	CRAOKWXWXDYMSY-SSDVNMTOSA-N	-1	0	360.816	4.837	40	30		FJEBRM
N=C1SC(=Cc2ccc(Cl)cc2Cl)C([O-])=C1c1nccs1	ZINC000138100334	571311053	/nfs/dbraw/zinc/31/10/53/571311053.db2.gz	NESHSZKCFWCNAH-DDTOVUNLSA-N	-1	0	355.271	4.868	40	30		FJEBRM
CCCCCCCC/C=C\CCCCCCCC(=O)N[C@H](CO)C(=O)[O-]	ZINC000064857742	212046390	/nfs/dbraw/zinc/04/63/90/212046390.db2.gz	MBDKGXAMSZIDKF-ZBTAVZRMSA-N	-1	0	369.546	4.586	40	30	in-vitro	FJEBRM
Cc1nc(NN=Cc2cc(Cl)cc(Cl)c2[O-])cc(-c2ccccc2)n1	ZINC000004595545	206179608	/nfs/dbraw/zinc/17/96/08/206179608.db2.gz	OCSBOJKTKSWURY-UFFVCSGVSA-N	-1	0	373.243	4.910	40	30		FJEBRM
N#Cc1ccc(/N=C/c2ccccc2OCc2ccc(C(=O)[O-])cc2)cc1	ZINC000001093624	210317112	/nfs/dbraw/zinc/31/71/12/210317112.db2.gz	HGCIKPZIHLFRGF-ZVHZXABRSA-N	-1	0	356.381	4.586	40	30		FJEBRM
CCN1c2ccc(C=[NH+][N-]c3ccc(C(=O)[O-])cc3)cc2C(C)=CC1(C)C	ZINC000208503480	132269120	/nfs/dbraw/zinc/26/91/20/132269120.db2.gz	ZWMPQHQJRZCFQW-UCQKPKSFSA-N	-1	0	363.461	4.853	40	30		FJEBRM
CCCCC[C@H](O)/C=C/[C@@H]1CC/C(=N/O)[C@H]1CCCCCCC(=O)[O-]	ZINC000004063286	520313068	/nfs/dbraw/zinc/31/30/68/520313068.db2.gz	VVNPPIUUPJFWII-QCNKJZISSA-N	-1	0	353.503	4.765	40	30		FJEBRM
CCN(Cc1ccccc1)c1ccc(C=[NH+][N-]c2ccc(C(=O)[O-])cc2)cc1	ZINC000004867251	521373877	/nfs/dbraw/zinc/37/38/77/521373877.db2.gz	RUGOVBWJPHTCPM-LFVJCYFKSA-N	-1	0	373.456	4.857	40	30		FJEBRM
Cc1cc(/C=N\OCc2ccccc2)c(C)n1-c1ccc(C(=O)[O-])cc1C	ZINC000015228793	526098048	/nfs/dbraw/zinc/09/80/48/526098048.db2.gz	ROVMLFKHAZDBHC-QRVIBDJDSA-N	-1	0	362.429	4.651	40	30		FJEBRM
C=C[C@]1(C)CC2=CC[C@H]3[C@](C)(C(=O)[O-])CCC[C@]3(C)[C@@H]2C[C@H]1OC(C)=O	ZINC000035464978	560081568	/nfs/dbraw/zinc/08/15/68/560081568.db2.gz	TUKYTUMQZQFKNX-VHCUVLFBSA-N	-1	0	360.494	4.748	40	30	biogenic,in-vitro	FJEBRM
C=C1[C@H]2C[C@@]3(CC[C@H]4[C@](C)(C(=O)[O-])CCC[C@@]4(C)[C@@H]3CC2)[C@H]1OC(C)=O	ZINC000031157687	560090613	/nfs/dbraw/zinc/09/06/13/560090613.db2.gz	AQBQBBLJTDSVLC-AUSPTJPFSA-N	-1	0	360.494	4.582	40	30	biogenic,in-vitro	FJEBRM
Cc1ccc(C)n1-c1ccc(/N=C\c2ccc(O[C@H](C)C(=O)[O-])cc2)cc1	ZINC000408854716	570693391	/nfs/dbraw/zinc/69/33/91/570693391.db2.gz	AOGYSJHVPKNHSJ-NQRZERFFSA-N	-1	0	362.429	4.697	40	30		FJEBRM
Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/c2ccc(C(=O)[O-])cc2)o1	ZINC000408913585	570698783	/nfs/dbraw/zinc/69/87/83/570698783.db2.gz	VPAXHXPYFMQOCS-RGVLZGJSSA-N	-1	0	350.330	4.612	40	30		FJEBRM
Cc1cc(C=NNc2ccccc2)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1	ZINC000408949892	570701932	/nfs/dbraw/zinc/70/19/32/570701932.db2.gz	SOIWRUSXCUXWHB-WSDLNYQXSA-N	-1	0	367.836	4.892	40	30		FJEBRM
COc1ccc(-n2cccc2/C=N\c2ccc(Cl)c(C(=O)[O-])c2)cc1	ZINC000408952759	570702498	/nfs/dbraw/zinc/70/24/98/570702498.db2.gz	MOTGZRIUBBFDOQ-MTJSOVHGSA-N	-1	0	354.793	4.588	40	30		FJEBRM
COc1cc(/C=N\C2CCCCC2)ccc1OCc1ccc(C(=O)[O-])cc1	ZINC000408965550	570704693	/nfs/dbraw/zinc/70/46/93/570704693.db2.gz	IRDOIILKIUIKGR-UCQKPKSFSA-N	-1	0	367.445	4.724	40	30		FJEBRM
COc1cc(/C=N\c2cccc(Cl)c2Cl)ccc1O[C@H](C)C(=O)[O-]	ZINC000409011037	570712641	/nfs/dbraw/zinc/71/26/41/570712641.db2.gz	FOAIFULYYARRSR-ZHLXBYETSA-N	-1	0	368.216	4.605	40	30		FJEBRM
CCCCc1ccc(/N=C/c2ccc(O[C@H](C)C(=O)[O-])c(OC)c2)cc1	ZINC000409013069	570712662	/nfs/dbraw/zinc/71/26/62/570712662.db2.gz	SMTSNRUYPNWRPC-QQHUYRGFSA-N	-1	0	355.434	4.640	40	30		FJEBRM
O=[N+]([O-])c1cc(Br)cc(/C=N/c2ccc(F)c(Cl)c2)c1[O-]	ZINC000409098212	570723596	/nfs/dbraw/zinc/72/35/96/570723596.db2.gz	KIOUTTDRFLDBBY-UBKPWBPPSA-N	-1	0	373.565	4.606	40	30		FJEBRM
COc1cccc(/C=N\c2ccc(C(C)(C)C)cc2)c1O[C@@H](C)C(=O)[O-]	ZINC000409244618	570744959	/nfs/dbraw/zinc/74/49/59/570744959.db2.gz	GGLVQPOIIUBDIU-CRRPLPBISA-N	-1	0	355.434	4.595	40	30		FJEBRM
COc1cc(/C=N/c2ccc(C)cc2)ccc1OCc1ccc(C(=O)[O-])o1	ZINC000409385023	570755187	/nfs/dbraw/zinc/75/51/87/570755187.db2.gz	HSYAPWAJTAMVFO-WSDLNYQXSA-N	-1	0	365.385	4.624	40	30		FJEBRM
Cc1ccc(S(=O)(=O)[N-]c2ccccc2/N=C/c2cccs2)cc1	ZINC000017429175	570873165	/nfs/dbraw/zinc/87/31/65/570873165.db2.gz	MFODKBFVLHOKCF-CPNJWEJPSA-N	-1	0	356.472	4.608	40	30		FJEBRM
CCCCC(F)(F)[C@H](O)CC[C@H]1C(=O)C=C[C@@H]1C/C=C\CCCC(=O)[O-]	ZINC000045789216	570911948	/nfs/dbraw/zinc/91/19/48/570911948.db2.gz	ZMCRQICFUSAGRE-IOSFHEAUSA-N	-1	0	372.452	4.526	40	30	in-vitro	FJEBRM
O=C([O-])c1cc(-c2ccc(/C=C3/Sc4ccccc4C3=O)o2)ccc1O	ZINC000033837390	571085590	/nfs/dbraw/zinc/08/55/90/571085590.db2.gz	SEYBOOOGSOESAD-VCHYOVAHSA-N	-1	0	364.378	4.680	40	30		FJEBRM
N#Cc1ccc([C@H]2CC=CS2)nc1S[C@@H](C(=O)[O-])c1ccccc1	ZINC000006757207	571245086	/nfs/dbraw/zinc/24/50/86/571245086.db2.gz	VQLIGSDFPVUZIU-HZPDHXFCSA-N	-1	0	354.456	4.563	40	30		FJEBRM
N=C1SC(=Cc2cccc(Cl)c2Cl)C([O-])=C1c1nccs1	ZINC000107759701	571310829	/nfs/dbraw/zinc/31/08/29/571310829.db2.gz	JWNWPPAIXVDRBY-UTMUVHJLSA-N	-1	0	355.271	4.868	40	30		FJEBRM
CCCCC(C)(C)[C@H](O)/C=C\[C@@H]1C=CC(=O)[C@@H]1CCCCCCC(=O)[O-]	ZINC000111480693	571310952	/nfs/dbraw/zinc/31/09/52/571310952.db2.gz	CTQQHQGBBMYJPT-VMCYUOJWSA-N	-1	0	364.526	4.916	40	30		FJEBRM
Cc1cc(N2CCCC2)c(F)cc1/C=N\c1ccc(Cl)c(C(=O)[O-])c1	ZINC000108113677	571311035	/nfs/dbraw/zinc/31/10/35/571311035.db2.gz	DKOQGSCIRTUBPP-JJFYIABZSA-N	-1	0	360.816	4.837	40	30		FJEBRM
COc1ccc(C=C2SC(=N)C(c3nccs3)=C2[O-])c2ccccc12	ZINC000108115040	571311060	/nfs/dbraw/zinc/31/10/60/571311060.db2.gz	VNYRBFVHPNTOEV-ITJPOMAQSA-N	-1	0	366.467	4.723	40	30		FJEBRM
C=CCc1cc([N+](=O)[O-])cc(/C=N/c2sc3c(c2C#N)CCCC3)c1[O-]	ZINC000011613933	571321915	/nfs/dbraw/zinc/32/19/15/571321915.db2.gz	HXMCQJORGTYURN-SRZZPIQSSA-N	-1	0	367.430	4.591	40	30		FJEBRM
C/C(=N\c1ccc(O)cc1)c1c([O-])c2ccccc2n(-c2ccccc2)c1=O	ZINC000101161131	222263751	/nfs/dbraw/zinc/26/37/51/222263751.db2.gz	XKISJDJEQMCANB-BUVRLJJBSA-N	-1	0	370.408	4.543	40	30		FJEBRM
Cc1cc(Nc2cccc(/C=C/C(=O)[O-])c2)n2c3ccccc3nc2c1C#N	ZINC000005336973	263340163	/nfs/dbraw/zinc/34/01/63/263340163.db2.gz	QUNVQHLIAVDNIV-MDZDMXLPSA-N	-1	0	368.396	4.509	40	30		FJEBRM
CCCCC(C)(C)[C@H](O)/C=C/[C@@H]1C=CC(=O)[C@@H]1C/C=C\CCCC(=O)[O-]	ZINC000103641820	519916292	/nfs/dbraw/zinc/91/62/92/519916292.db2.gz	MOTPSJUHMGPRFZ-SSXHTLFQSA-N	-1	0	362.510	4.692	40	30		FJEBRM
Cc1cc(N(CCC#N)CCC#N)ccc1/N=N/c1cccc(C(=O)[O-])c1	ZINC000005552618	525030616	/nfs/dbraw/zinc/03/06/16/525030616.db2.gz	XQLWUFCDTVCONH-WCWDXBQESA-N	-1	0	361.405	4.742	40	30		FJEBRM
C=C1CC[C@H]2[C@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CC[C@@H](C)CC(=O)[O-]	ZINC000035455603	560081235	/nfs/dbraw/zinc/08/12/35/560081235.db2.gz	WTDIRAZPDUAJEB-JSRVAWGMSA-N	-1	0	350.499	4.829	40	30	biogenic,in-vitro	FJEBRM
O=C(/C(=C\c1ccc([O-])c(Cl)c1)C(=O)C(F)(F)F)c1cccs1	ZINC000408564168	570558194	/nfs/dbraw/zinc/55/81/94/570558194.db2.gz	VHPDMEVIKKNJAA-RMKNXTFCSA-N	-1	0	360.740	4.505	40	30		FJEBRM
C=CCOc1c(Cl)cc(CNc2cccc(C(=O)[O-])c2)cc1OCC	ZINC000408605311	570577681	/nfs/dbraw/zinc/57/76/81/570577681.db2.gz	GEIFMDGFHABSRZ-UHFFFAOYSA-N	-1	0	361.825	4.614	40	30		FJEBRM
Cc1cc(N(CCC#N)CCC#N)ccc1/N=N/c1ccc(C(=O)[O-])cc1	ZINC000005552614	570630401	/nfs/dbraw/zinc/63/04/01/570630401.db2.gz	CWLNIMBEUSXFMH-WCWDXBQESA-N	-1	0	361.405	4.742	40	30		FJEBRM
COc1ccc2ccccc2c1C=Nn1c(=S)[n-]nc1-c1ccccc1	ZINC000001300780	570642763	/nfs/dbraw/zinc/64/27/63/570642763.db2.gz	WHIHWVAKTRTELU-BKUYFWCQSA-N	-1	0	360.442	4.652	40	30		FJEBRM
O=[N+]([O-])c1cccc(/C=N/c2ccc3oc(-c4ccccc4)nc3c2)c1[O-]	ZINC000005005923	570675143	/nfs/dbraw/zinc/67/51/43/570675143.db2.gz	FCLGVDAIDMUYKC-CIAFOILYSA-N	-1	0	359.341	4.859	40	30		FJEBRM
CCN(CC)c1ccc(/N=C/c2cccn2-c2ccc(C(=O)[O-])cc2)cc1	ZINC000408943305	570701980	/nfs/dbraw/zinc/70/19/80/570701980.db2.gz	YUJTXWLFBXHGRS-XQNSMLJCSA-N	-1	0	361.445	4.772	40	30		FJEBRM
COc1ccc(/N=C\c2ccccc2OCc2ccc(C(=O)[O-])cc2)cc1	ZINC000408960595	570703235	/nfs/dbraw/zinc/70/32/35/570703235.db2.gz	NCNYMYQFLNHEGD-UCQKPKSFSA-N	-1	0	361.397	4.723	40	30		FJEBRM
CCCCc1ccc(/N=C/c2ccc(O[C@@H](C)C(=O)[O-])c(OC)c2)cc1	ZINC000409013071	570712630	/nfs/dbraw/zinc/71/26/30/570712630.db2.gz	SMTSNRUYPNWRPC-WXUSHSQQSA-N	-1	0	355.434	4.640	40	30		FJEBRM
COc1cc(/C=N\c2cccc(Cl)c2Cl)ccc1O[C@@H](C)C(=O)[O-]	ZINC000409011035	570712631	/nfs/dbraw/zinc/71/26/31/570712631.db2.gz	FOAIFULYYARRSR-ZFKRWFGPSA-N	-1	0	368.216	4.605	40	30		FJEBRM
COc1ccc(Oc2ccc(/N=C/c3cccc([N+](=O)[O-])c3[O-])cc2)cc1	ZINC000409074400	570719746	/nfs/dbraw/zinc/71/97/46/570719746.db2.gz	QVIGMFQEZANQRG-FYJGNVAPSA-N	-1	0	364.357	4.852	40	30		FJEBRM
COc1cccc(/C=N/c2ccccc2)c1OCc1ccc(C(=O)[O-])cc1	ZINC000409183274	570737221	/nfs/dbraw/zinc/73/72/21/570737221.db2.gz	AGAPQTWMPHJJNF-OEAKJJBVSA-N	-1	0	361.397	4.723	40	30		FJEBRM
COc1cccc(/C=N\c2ccc(Cl)cc2Cl)c1O[C@@H](C)C(=O)[O-]	ZINC000409244938	570744915	/nfs/dbraw/zinc/74/49/15/570744915.db2.gz	KUYXLWJYHGKUAG-ZFKRWFGPSA-N	-1	0	368.216	4.605	40	30		FJEBRM
CC[C@@H](C)Oc1c(Cl)cc(/C=N/c2ccc(C(=O)[O-])cc2)cc1OC	ZINC000409377617	570755509	/nfs/dbraw/zinc/75/55/09/570755509.db2.gz	ISPCGCZWJJAVTC-KIHMUJGBSA-N	-1	0	361.825	4.975	40	30		FJEBRM
Cc1ccc(-c2nc3ccccc3[nH]2)cc1/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000005490768	570960995	/nfs/dbraw/zinc/96/09/95/570960995.db2.gz	PJDFBYNLGROMOJ-WSDLNYQXSA-N	-1	0	372.384	4.903	40	30		FJEBRM
CCc1nnc(C2=C([O-])C(=Cc3cccc4ccccc34)SC2=N)s1	ZINC000033760080	571310624	/nfs/dbraw/zinc/31/06/24/571310624.db2.gz	MXCLHNRWHGVXEB-IBLJXFIWSA-N	-1	0	365.483	4.672	40	30		FJEBRM
COC(=O)c1ccc(/C=N/c2ccc([O-])c(-c3nc4ccccc4o3)c2)cc1	ZINC000000864833	219332856	/nfs/dbraw/zinc/33/28/56/219332856.db2.gz	NVTCZXFMYOABSY-YDZHTSKRSA-N	-1	0	372.380	4.738	40	30		FJEBRM
C=C[C@]1(C)CC2=CC[C@H]3[C@](C)(C(=O)[O-])CCC[C@]3(C)[C@@H]2C[C@@H]1OC(C)=O	ZINC000035464981	204284698	/nfs/dbraw/zinc/28/46/98/204284698.db2.gz	TUKYTUMQZQFKNX-UQYSYHQNSA-N	-1	0	360.494	4.748	40	30	biogenic,in-vitro	FJEBRM
N#Cc1ccc([C@H]2CC=CS2)nc1S[C@H](C(=O)[O-])c1ccccc1	ZINC000006757158	204266685	/nfs/dbraw/zinc/26/66/85/204266685.db2.gz	VQLIGSDFPVUZIU-CVEARBPZSA-N	-1	0	354.456	4.563	40	30		FJEBRM
O=C([O-])c1ccc(/N=C/c2cn(-c3ccccc3)nc2-c2ccccc2)cc1	ZINC000003181797	206158407	/nfs/dbraw/zinc/15/84/07/206158407.db2.gz	HLXVREPTGVLFRW-BUVRLJJBSA-N	-1	0	367.408	4.988	40	30		FJEBRM
CCOc1cc([N+](=O)[O-])cc(/C=N\c2ccc3c4c(cccc42)CC3)c1[O-]	ZINC000016688242	211166089	/nfs/dbraw/zinc/16/60/89/211166089.db2.gz	PGWXEYCOQRWYRG-UUYOSTAYSA-N	-1	0	362.385	4.702	40	30		FJEBRM
C=C1CC[C@H]2[C@](C)(C(=O)OC)CCC[C@]2(C)[C@@H]1CC[C@@H](C)CC(=O)[O-]	ZINC000035455592	210721918	/nfs/dbraw/zinc/72/19/18/210721918.db2.gz	WTDIRAZPDUAJEB-QKSOIWCDSA-N	-1	0	350.499	4.829	40	30	biogenic,in-vitro	FJEBRM
C/C(=N\Nc1ccccc1)c1c([O-])c2ccccc2n(-c2ccccc2)c1=O	ZINC000100293685	222241032	/nfs/dbraw/zinc/24/10/32/222241032.db2.gz	VHCGECWEDYDWFD-LFVJCYFKSA-N	-1	0	369.424	4.532	40	30		FJEBRM
COc1cccc(/C=N/c2ccc([O-])c(-c3nc4cc(C)ccc4o3)c2)c1O	ZINC000100502860	222245437	/nfs/dbraw/zinc/24/54/37/222245437.db2.gz	QXKBGCOAKLEIOU-FSJBWODESA-N	-1	0	374.396	4.974	40	30		FJEBRM
Cc1ccc(S(=O)(=O)[N-]c2ccccc2/N=C\c2cccs2)cc1	ZINC000104094092	222349980	/nfs/dbraw/zinc/34/99/80/222349980.db2.gz	MFODKBFVLHOKCF-UYRXBGFRSA-N	-1	0	356.472	4.608	40	30		FJEBRM
O=C([O-])COc1ccc(/C=N\c2cccc(Cl)c2Cl)cc1Cl	ZINC000408851722	263502297	/nfs/dbraw/zinc/50/22/97/263502297.db2.gz	NCQQSESSPDBWQY-GXHLCREISA-N	-1	0	358.608	4.861	40	30		FJEBRM
CC[C@H](C)Oc1c(Cl)cc(/C=N/c2ccc(C(=O)[O-])cc2)cc1OC	ZINC000409377618	263553770	/nfs/dbraw/zinc/55/37/70/263553770.db2.gz	ISPCGCZWJJAVTC-OVMKCGGTSA-N	-1	0	361.825	4.975	40	30		FJEBRM
CCN1c2ccc(C=[NH+][N-]c3ccc(C(=O)[O-])cc3)cc2[C@@H](C)CC1(C)C	ZINC000223530864	521730472	/nfs/dbraw/zinc/73/04/72/521730472.db2.gz	JHIXIDYKHIDRMT-DZIKBWIISA-N	-1	0	365.477	4.943	40	30		FJEBRM
Cc1cc(C)c(O)c(/N=C/c2cc(Cl)cc(Br)c2[O-])c1	ZINC000001230408	570495709	/nfs/dbraw/zinc/49/57/09/570495709.db2.gz	AHYSLWQXEXSGGG-CNHKJKLMSA-N	-1	0	354.631	4.881	40	30		FJEBRM
COc1ccc(-c2n[n-]c(=S)n2N=Cc2ccc(C(C)C)cc2)cc1	ZINC000001252165	570642593	/nfs/dbraw/zinc/64/25/93/570642593.db2.gz	SFXNYYXIFLHPKC-NDENLUEZSA-N	-1	0	352.463	4.622	40	30		FJEBRM
COc1ccc(/N=C\c2cc(C)n(-c3ccc(C(=O)[O-])cc3C)c2C)cc1	ZINC000408908378	570697936	/nfs/dbraw/zinc/69/79/36/570697936.db2.gz	BZKSRVPFFCHUGW-QRVIBDJDSA-N	-1	0	362.429	4.860	40	30		FJEBRM
N#Cc1ccc(-c2ccc(/C=N\c3ccc(Cl)c(C(=O)[O-])c3)o2)cc1	ZINC000409022175	570713809	/nfs/dbraw/zinc/71/38/09/570713809.db2.gz	HRJRLEXHRZDOIF-JJFYIABZSA-N	-1	0	350.761	4.920	40	30		FJEBRM
N#Cc1ccc(-c2ccc(/C=N/c3ccc(C(=O)[O-])c(Cl)c3)o2)cc1	ZINC000409019112	570713948	/nfs/dbraw/zinc/71/39/48/570713948.db2.gz	YNKLGMZOBJTLSK-SSDVNMTOSA-N	-1	0	350.761	4.920	40	30		FJEBRM
CSc1ccccc1/N=C/c1cc(Br)cc([N+](=O)[O-])c1[O-]	ZINC000409095200	570721576	/nfs/dbraw/zinc/72/15/76/570721576.db2.gz	GRJXFIFDDWZXRA-LZYBPNLTSA-N	-1	0	367.224	4.535	40	30		FJEBRM
CCN(CC)c1ccc(/N=C/c2cccn2-c2cccc(C(=O)[O-])c2)cc1	ZINC000409105442	570726659	/nfs/dbraw/zinc/72/66/59/570726659.db2.gz	JLOVEHORZHQODQ-XQNSMLJCSA-N	-1	0	361.445	4.772	40	30		FJEBRM
Cc1cc(/C=N/c2cc(C(=O)[O-])ccc2Cl)c(C)n1-c1ccccn1	ZINC000409230033	570743943	/nfs/dbraw/zinc/74/39/43/570743943.db2.gz	WNDFSUJWZAKIKP-SSDVNMTOSA-N	-1	0	353.809	4.591	40	30		FJEBRM
COc1cccc(/C=N\c2ccc(C(C)(C)C)cc2)c1O[C@H](C)C(=O)[O-]	ZINC000409244617	570745031	/nfs/dbraw/zinc/74/50/31/570745031.db2.gz	GGLVQPOIIUBDIU-BXSODOALSA-N	-1	0	355.434	4.595	40	30		FJEBRM
CC[C@H](C)c1ccc(/N=C/c2cccc(OC)c2O[C@@H](C)C(=O)[O-])cc1	ZINC000409242560	570746300	/nfs/dbraw/zinc/74/63/00/570746300.db2.gz	OOLDWDOAMAYTKV-RJSXDPMQSA-N	-1	0	355.434	4.811	40	30		FJEBRM
Cc1c(Cl)cccc1/N=C/c1cc([N+](=O)[O-])cc(Br)c1[O-]	ZINC000113857830	570825809	/nfs/dbraw/zinc/82/58/09/570825809.db2.gz	SDUWXALITWNHJN-REZTVBANSA-N	-1	0	369.602	4.775	40	30		FJEBRM
CCCCCCCCOc1c(Br)cc(C(=O)[O-])cc1OC	ZINC000059245848	571088510	/nfs/dbraw/zinc/08/85/10/571088510.db2.gz	TYOLZGAQDCNNNO-UHFFFAOYSA-N	-1	0	359.260	4.895	40	30		FJEBRM
CCOc1ccc(C=Nn2c(=S)[n-]nc2-c2ccc(Cl)cc2)cc1	ZINC000254555647	571291908	/nfs/dbraw/zinc/29/19/08/571291908.db2.gz	CJJXUEGDBWHUQU-UHFFFAOYSA-N	-1	0	358.854	4.542	40	30		FJEBRM
Cc1ccc(Cl)cc1N=Cc1cc([N+](=O)[O-])cc(Br)c1[O-]	ZINC000254860416	571292022	/nfs/dbraw/zinc/29/20/22/571292022.db2.gz	LTRMZJHAQRPXOP-UHFFFAOYSA-N	-1	0	369.602	4.775	40	30		FJEBRM
CCC(N=Nc1ccccc1[N+](=O)[O-])c1cc(Cl)cc(Cl)c1[O-]	ZINC000014196878	210143643	/nfs/dbraw/zinc/14/36/43/210143643.db2.gz	CTVNSXDIUPQGIG-LDADJPATSA-N	-1	0	354.193	4.833	40	30		FJEBRM
C=C1CC[C@H]2[C@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CC[C@H](C)CC(=O)[O-]	ZINC000035455596	204283497	/nfs/dbraw/zinc/28/34/97/204283497.db2.gz	WTDIRAZPDUAJEB-DJDQUYCGSA-N	-1	0	350.499	4.829	40	30	biogenic,in-vitro	FJEBRM
S=c1[n-]nc(C2CCCCC2)n1N=Cc1cccc(Br)c1	ZINC000001475366	206149324	/nfs/dbraw/zinc/14/93/24/206149324.db2.gz	LKQFXUSTJXHWFW-YVLHZVERSA-N	-1	0	365.300	4.633	40	30		FJEBRM
C=CCc1cc([N+](=O)[O-])cc(/C=N\c2sc3c(c2C#N)CCCC3)c1[O-]	ZINC000016661261	211165795	/nfs/dbraw/zinc/16/57/95/211165795.db2.gz	HXMCQJORGTYURN-NHDPSOOVSA-N	-1	0	367.430	4.591	40	30		FJEBRM
C[C@H]1CC(C)(C)N(C)c2ccc(C=[NH+][N-]c3ccc(C(=O)[O-])cc3)cc21	ZINC000208207962	132268398	/nfs/dbraw/zinc/26/83/98/132268398.db2.gz	VJUYOCPFAIUWKU-CRRPLPBISA-N	-1	0	351.450	4.553	40	30		FJEBRM
Cc1ccc(/N=C/c2cc([N+](=O)[O-])cc(Br)c2[O-])cc1Cl	ZINC000113857858	263451959	/nfs/dbraw/zinc/45/19/59/263451959.db2.gz	WJFQMKXWZYKSMA-REZTVBANSA-N	-1	0	369.602	4.775	40	30		FJEBRM
Cc1ccc(-c2ccc(/C=N/c3ccc(C(=O)[O-])cc3)o2)cc1[N+](=O)[O-]	ZINC000408911584	263506845	/nfs/dbraw/zinc/50/68/45/263506845.db2.gz	OAZFAAFDKSOPOX-RGVLZGJSSA-N	-1	0	350.330	4.612	40	30		FJEBRM
O=[N+]([O-])c1cc(Br)c([O-])c(/C=N\c2ccc3ccccc3c2)c1	ZINC000409075885	263522932	/nfs/dbraw/zinc/52/29/32/263522932.db2.gz	UZZFNXRCVXFWKL-GRSHGNNSSA-N	-1	0	371.190	4.967	40	30		FJEBRM
C=C1C[C@@H](O)[C@@H](CCCCCCC(=O)[O-])[C@H]1CCC(=O)CCCCC	ZINC000064857704	518665610	/nfs/dbraw/zinc/66/56/10/518665610.db2.gz	CIGRLDHIXLOIRP-SLFFLAALSA-N	-1	0	352.515	4.894	40	30	in-vitro	FJEBRM
CCCCC(C)(C)[C@@H](O)/C=C/[C@H]1C=CC(=O)[C@H]1C/C=C\CCCC(=O)[O-]	ZINC000095202023	570451675	/nfs/dbraw/zinc/45/16/75/570451675.db2.gz	MOTPSJUHMGPRFZ-XDDURRFNSA-N	-1	0	362.510	4.692	40	30	in-vitro	FJEBRM
Cc1cc(/C=N/c2ccc(C(=O)[O-])cc2C)c(C)n1-c1ccc(F)cc1	ZINC000408784053	570687248	/nfs/dbraw/zinc/68/72/48/570687248.db2.gz	RZYOBUUXHULLED-FSJBWODESA-N	-1	0	350.393	4.990	40	30		FJEBRM
CC(C)c1ccc(/N=C/c2cc(Br)cc([N+](=O)[O-])c2[O-])cc1	ZINC000409095467	570721537	/nfs/dbraw/zinc/72/15/37/570721537.db2.gz	HVIHTKVTEPYZMB-GIJQJNRQSA-N	-1	0	363.211	4.937	40	30		FJEBRM
COc1cccc(Oc2ccc(/N=C/c3cccc([N+](=O)[O-])c3[O-])cc2)c1	ZINC000409104897	570722948	/nfs/dbraw/zinc/72/29/48/570722948.db2.gz	KTSPRZYOCBZCNR-FYJGNVAPSA-N	-1	0	364.357	4.852	40	30		FJEBRM
O=C([O-])c1ccc(NC=CC(=O)c2ccc(-c3ccccc3)cc2)cc1O	ZINC000409178585	570736589	/nfs/dbraw/zinc/73/65/89/570736589.db2.gz	MZIASENKQYYGPO-OUKQBFOZSA-N	-1	0	359.381	4.566	40	30		FJEBRM
CC[C@@H](C)c1ccc(/N=C/c2cccc(OC)c2O[C@H](C)C(=O)[O-])cc1	ZINC000409242558	570746288	/nfs/dbraw/zinc/74/62/88/570746288.db2.gz	OOLDWDOAMAYTKV-JLXMYUAZSA-N	-1	0	355.434	4.811	40	30		FJEBRM
COc1cccc(/C=N\c2cccc(Cl)c2Cl)c1O[C@H](C)C(=O)[O-]	ZINC000409251789	570746614	/nfs/dbraw/zinc/74/66/14/570746614.db2.gz	WEYOZTQRBVKUFR-ZHLXBYETSA-N	-1	0	368.216	4.605	40	30		FJEBRM
O=C([O-])c1cccc(/N=C/c2cccn2-c2ccc(Br)cc2)c1	ZINC000059302853	571089994	/nfs/dbraw/zinc/08/99/94/571089994.db2.gz	YVHPYCRTVWMFLJ-UDWIEESQSA-N	-1	0	369.218	4.689	40	30		FJEBRM
Cc1cc(/C=N/c2ccc(O)cc2)c(C)n1-c1ccc(C(=O)[O-])c(Cl)c1	ZINC000059678392	571092263	/nfs/dbraw/zinc/09/22/63/571092263.db2.gz	MTNNADKSGADGKE-SSDVNMTOSA-N	-1	0	368.820	4.902	40	30		FJEBRM
COc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)cc([N+](=O)[O-])c1[O-]	ZINC000008109759	571300421	/nfs/dbraw/zinc/30/04/21/571300421.db2.gz	AMUGRUWCBBYRAH-FYJGNVAPSA-N	-1	0	364.357	4.852	40	30		FJEBRM
CN(C)c1ccc(-n2cccc2/C=N/c2cc(C(=O)[O-])ccc2Cl)cc1	ZINC000197665410	571311241	/nfs/dbraw/zinc/31/12/41/571311241.db2.gz	PNIFIXLPOZFYOD-LPYMAVHISA-N	-1	0	367.836	4.646	40	30		FJEBRM
Cc1ccc(S(=O)(=O)[N-]c2ccccc2/N=C\c2ccc(F)cc2)cc1	ZINC000004526640	204144140	/nfs/dbraw/zinc/14/41/40/204144140.db2.gz	OMETVNRHDMJBAM-HMAPJEAMSA-N	-1	0	368.433	4.686	40	30		FJEBRM
COc1ccc(-c2cc(-c3ccc(Cl)c(Cl)c3)c(C#N)c(=O)[n-]2)cc1	ZINC000006304208	204243360	/nfs/dbraw/zinc/24/33/60/204243360.db2.gz	QEZOYDSLHOKZIS-UHFFFAOYSA-N	-1	0	371.223	4.896	40	30		FJEBRM
O=C([O-])c1cccc(-n2cccc2/C=N\c2ccccc2Br)c1	ZINC000409108021	263527174	/nfs/dbraw/zinc/52/71/74/263527174.db2.gz	UKTVYVPEERYASL-NDENLUEZSA-N	-1	0	369.218	4.689	40	30		FJEBRM
COc1cccc(/C=N\c2ccc(Cl)c(Cl)c2)c1O[C@H](C)C(=O)[O-]	ZINC000409248837	263546321	/nfs/dbraw/zinc/54/63/21/263546321.db2.gz	RLOUAKQAVJTZLF-ZHLXBYETSA-N	-1	0	368.216	4.605	40	30		FJEBRM
CCCCC(C)(C)[C@H](O)/C=C/[C@@H]1C=CC(=O)[C@@H]1C/C=C/CCCC(=O)[O-]	ZINC000098044684	519916726	/nfs/dbraw/zinc/91/67/26/519916726.db2.gz	MOTPSJUHMGPRFZ-BDLUFCPGSA-N	-1	0	362.510	4.692	40	30		FJEBRM
C=C[C@]1(C)CC2=CC[C@H]3[C@](C)(C(=O)[O-])CCC[C@]3(C)[C@H]2C[C@@H]1OC(C)=O	ZINC000035464987	560081565	/nfs/dbraw/zinc/08/15/65/560081565.db2.gz	TUKYTUMQZQFKNX-NCTRIBDUSA-N	-1	0	360.494	4.748	40	30	biogenic,in-vitro	FJEBRM
COc1cc(COc2ccccc2/C=N\[O-])ccc1OCc1ccccc1	ZINC000408540113	570526229	/nfs/dbraw/zinc/52/62/29/570526229.db2.gz	NGELFEFGQNAEBV-UCQKPKSFSA-N	-1	0	363.413	4.661	40	30		FJEBRM
COc1ccc(/N=C\c2cn(Cc3ccc(C(=O)[O-])o3)c3ccccc23)cc1	ZINC000408540660	570527954	/nfs/dbraw/zinc/52/79/54/570527954.db2.gz	AUVOWGBHNDQUSG-FMCGGJTJSA-N	-1	0	374.396	4.740	40	30		FJEBRM
Cc1cc(/C=C/C(=O)c2ccccc2)c(C)n1-c1ccc(CC(=O)[O-])cc1	ZINC000408620804	570586883	/nfs/dbraw/zinc/58/68/83/570586883.db2.gz	KBULBWIMBOTGMR-JLHYYAGUSA-N	-1	0	359.425	4.617	40	30		FJEBRM
Cc1cc(/C=N/c2cccc(C(=O)[O-])c2)c(C)n1-c1ccc(N(C)C)cc1	ZINC000408742730	570688252	/nfs/dbraw/zinc/68/82/52/570688252.db2.gz	XZRBEQWENXRCCB-OEAKJJBVSA-N	-1	0	361.445	4.609	40	30		FJEBRM
O=C([O-])c1ccc(/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cc1	ZINC000408915096	570699189	/nfs/dbraw/zinc/69/91/89/570699189.db2.gz	URBKKQPBKWIMHK-KEBDBYFISA-N	-1	0	370.748	4.957	40	30		FJEBRM
O=C([O-])c1ccc(C/N=C/c2cccn2-c2cccc(C(F)(F)F)c2)cc1	ZINC000408931224	570700800	/nfs/dbraw/zinc/70/08/00/570700800.db2.gz	IPYWIAVJITTXFR-ZMOGYAJESA-N	-1	0	372.346	4.813	40	30		FJEBRM
[O-]c1c(Cl)cc(Cl)cc1C=NNc1ccc(C(F)(F)F)cn1	ZINC000409104348	570722608	/nfs/dbraw/zinc/72/26/08/570722608.db2.gz	DFXPHHIGVRTIDQ-DENHBWNVSA-N	-1	0	350.127	4.559	40	30		FJEBRM
CSc1ccccc1/N=C/c1cc([N+](=O)[O-])cc(Br)c1[O-]	ZINC000409105085	570726121	/nfs/dbraw/zinc/72/61/21/570726121.db2.gz	GFASAKTVPMNJBG-LZYBPNLTSA-N	-1	0	367.224	4.535	40	30		FJEBRM
O=[N+]([O-])c1cc(Br)cc(/C=N/c2ccc3ccccc3c2)c1[O-]	ZINC000016545725	570858095	/nfs/dbraw/zinc/85/80/95/570858095.db2.gz	PSPVOUKPNFTHHP-VXLYETTFSA-N	-1	0	371.190	4.967	40	30		FJEBRM
COc1cccc(/N=C/c2ccccc2OCc2ccc(C(=O)[O-])cc2)c1	ZINC000059104621	571086981	/nfs/dbraw/zinc/08/69/81/571086981.db2.gz	NWOCRLIMESNBSD-OEAKJJBVSA-N	-1	0	361.397	4.723	40	30		FJEBRM
[S-]c1ccccc1/N=C/c1cc(Br)c(N2CCCC2)o1	ZINC000059250203	571088947	/nfs/dbraw/zinc/08/89/47/571088947.db2.gz	XEXWBQCVDUXIBW-LICLKQGHSA-N	-1	0	351.269	4.682	40	30		FJEBRM
CCCCCCCCCCCCCCCC(=O)N1C[C@H](O)C[C@H]1C(=O)[O-]	ZINC000059048046	571211130	/nfs/dbraw/zinc/21/11/30/571211130.db2.gz	SRHSPJGTSWHUTH-MOPGFXCFSA-N	-1	0	369.546	4.514	40	30		FJEBRM
Cc1cc(/C=N\c2ccc(O)c(C(=O)[O-])c2)c(C)n1-c1cccc(Cl)c1	ZINC000015228988	571310537	/nfs/dbraw/zinc/31/05/37/571310537.db2.gz	SFKRFWHLEAQVMD-JJFYIABZSA-N	-1	0	368.820	4.902	40	30		FJEBRM
CC(C)COc1ccc(C=C2SC(=N)C(c3nccs3)=C2[O-])cc1	ZINC000033658290	571310639	/nfs/dbraw/zinc/31/06/39/571310639.db2.gz	YENKJFOXQKKQLW-UTYDTHAWSA-N	-1	0	358.488	4.596	40	30		FJEBRM
COc1ccc2ccccc2c1C=C1SC(=N)C(c2nccs2)=C1[O-]	ZINC000033614617	571310645	/nfs/dbraw/zinc/31/06/45/571310645.db2.gz	UYFILIWUTCYOOJ-ITJPOMAQSA-N	-1	0	366.467	4.723	40	30		FJEBRM
CCCCC(C)(C)[C@H](O)/C=C\[C@@H]1C=CC(=O)[C@@H]1C/C=C\CCCC(=O)[O-]	ZINC000111940719	571310986	/nfs/dbraw/zinc/31/09/86/571310986.db2.gz	MOTPSJUHMGPRFZ-YJPMGLEHSA-N	-1	0	362.510	4.692	40	30		FJEBRM
C=C1CC[C@@H]2[C@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CC[C@@H](C)CC(=O)[O-]	ZINC000031157600	290675922	/nfs/dbraw/zinc/67/59/22/290675922.db2.gz	WTDIRAZPDUAJEB-WGMOTNOQSA-N	-1	0	350.499	4.829	40	30	biogenic,in-vitro	FJEBRM
Cc1ccc(Cl)cc1/N=C\c1cc([N+](=O)[O-])cc(Br)c1[O-]	ZINC000016347247	220182490	/nfs/dbraw/zinc/18/24/90/220182490.db2.gz	LTRMZJHAQRPXOP-IDUWFGFVSA-N	-1	0	369.602	4.775	40	30		FJEBRM
COc1ccc(CC/N=C(\C)c2cc(Cl)cc(Cl)c2[O-])cc1OC	ZINC000017127000	220207675	/nfs/dbraw/zinc/20/76/75/220207675.db2.gz	IZQZXBBSBKAZHM-SRZZPIQSSA-N	-1	0	368.260	4.768	40	30		FJEBRM
N#Cc1c(-c2ccccc2F)cc(-c2ccccc2)nc1SCC(=O)[O-]	ZINC000005338505	207093834	/nfs/dbraw/zinc/09/38/34/207093834.db2.gz	QTWIXKGJOJIQTB-UHFFFAOYSA-N	-1	0	364.401	4.603	40	30		FJEBRM
O=C([O-])c1cccc(/N=C/c2cccn2-c2cccc(C(F)(F)F)c2)c1	ZINC000408932191	263508104	/nfs/dbraw/zinc/50/81/04/263508104.db2.gz	USMZZKZCUBATBK-FSJBWODESA-N	-1	0	358.319	4.945	40	30		FJEBRM
COc1ccc(/N=C\c2cccc(OCc3ccc(C(=O)[O-])cc3)c2)cc1	ZINC000409214438	263542472	/nfs/dbraw/zinc/54/24/72/263542472.db2.gz	XKXXGBPAABAJLA-UCQKPKSFSA-N	-1	0	361.397	4.723	40	30		FJEBRM
COc1cc(/C=N/c2cc(Cl)ccc2C)cc(Cl)c1OCC(=O)[O-]	ZINC000409215588	263542571	/nfs/dbraw/zinc/54/25/71/263542571.db2.gz	BUQFSCNALBSCCV-DNTJNYDQSA-N	-1	0	368.216	4.524	40	30		FJEBRM
COc1cc(N2CCCCC2)ccc1/C=N/c1cc(C(=O)[O-])ccc1Cl	ZINC000409232781	263544704	/nfs/dbraw/zinc/54/47/04/263544704.db2.gz	PTUUGKWYZQBLRS-LPYMAVHISA-N	-1	0	372.852	4.788	40	30		FJEBRM
C=C1CC[C@@H]2[C@](C)(C(=O)OC)CCC[C@]2(C)[C@@H]1CC[C@@H](C)CC(=O)[O-]	ZINC000248202228	518663558	/nfs/dbraw/zinc/66/35/58/518663558.db2.gz	WTDIRAZPDUAJEB-MOVVGCITSA-N	-1	0	350.499	4.829	40	30	biogenic,in-vitro	FJEBRM
CCCCC(C)(C)[C@@H](O)/C=C/[C@H]1C=CC(=O)[C@@H]1C/C=C\CCCC(=O)[O-]	ZINC000027639076	519916396	/nfs/dbraw/zinc/91/63/96/519916396.db2.gz	MOTPSJUHMGPRFZ-XTFNYULASA-N	-1	0	362.510	4.692	40	30	in-vitro	FJEBRM
Cc1cccc(/N=C/c2cc(Cc3ccccc3)cc([N+](=O)[O-])c2[O-])c1O	ZINC000005548809	524155493	/nfs/dbraw/zinc/15/54/93/524155493.db2.gz	UATGBOBOLCJAQT-LPYMAVHISA-N	-1	0	362.385	4.656	40	30		FJEBRM
O=[N+]([O-])c1ccc(NCCC/N=C/c2cc(Cl)cc(Cl)c2[O-])cc1	ZINC000005616414	527363313	/nfs/dbraw/zinc/36/33/13/527363313.db2.gz	IQGSAGKWBAYTEE-VXLYETTFSA-N	-1	0	368.220	4.528	40	30		FJEBRM
S=c1[n-]nc(C2CCCCC2)n1N=Cc1ccccc1Br	ZINC000001302196	570497068	/nfs/dbraw/zinc/49/70/68/570497068.db2.gz	QLDRDCKQFLYWOP-YVLHZVERSA-N	-1	0	365.300	4.633	40	30		FJEBRM
S=c1[n-]nc(C2CCCCC2)n1N=Cc1ccc(Br)cc1	ZINC000001475373	570501348	/nfs/dbraw/zinc/50/13/48/570501348.db2.gz	QOZCMFXWKNOFGW-YVLHZVERSA-N	-1	0	365.300	4.633	40	30		FJEBRM
N#Cc1ccc(/N=C/c2cn(Cc3ccc(C(=O)[O-])o3)c3ccccc23)cc1	ZINC000408541369	570528346	/nfs/dbraw/zinc/52/83/46/570528346.db2.gz	GCMOVQGBELGEIJ-WYMPLXKRSA-N	-1	0	369.380	4.603	40	30		FJEBRM
COc1ccc(-c2n[n-]c(=S)n2N=Cc2ccc(C(C)(C)C)cc2)cc1	ZINC000002329738	570644031	/nfs/dbraw/zinc/64/40/31/570644031.db2.gz	KVMGPMIWESCAFY-BKUYFWCQSA-N	-1	0	366.490	4.796	40	30		FJEBRM
Cc1cc(/C=N/c2cc([N+](=O)[O-])ccc2[O-])c(C)n1-c1ccc(F)cc1	ZINC000408737917	570684909	/nfs/dbraw/zinc/68/49/09/570684909.db2.gz	KBLDGCHLCLTXKL-SRZZPIQSSA-N	-1	0	353.353	4.598	40	30		FJEBRM
CCc1ccc(-n2c(C)cc(/C=N\c3ccc(O)c(C(=O)[O-])c3)c2C)cc1	ZINC000408751966	570689947	/nfs/dbraw/zinc/68/99/47/570689947.db2.gz	FDUHCIDJAIJTIM-QRVIBDJDSA-N	-1	0	362.429	4.811	40	30		FJEBRM
Cc1cc(-c2ccc(/C=N/c3ccc(C(=O)[O-])cc3)o2)cc([N+](=O)[O-])c1C	ZINC000408911955	570698341	/nfs/dbraw/zinc/69/83/41/570698341.db2.gz	PDEFDUDXRSXVIR-SRZZPIQSSA-N	-1	0	364.357	4.920	40	30		FJEBRM
CC[C@@H](C)c1ccc(/N=C/c2ccc(O[C@@H](C)C(=O)[O-])c(OC)c2)cc1	ZINC000409018589	570713032	/nfs/dbraw/zinc/71/30/32/570713032.db2.gz	XGJQEOMNGRIXGG-RHJMSYDWSA-N	-1	0	355.434	4.811	40	30		FJEBRM
C=CCSc1nc2ccc(NC(=O)c3ccccc3C(=O)[O-])cc2s1	ZINC000059417536	571090392	/nfs/dbraw/zinc/09/03/92/571090392.db2.gz	QMVUIWXGLNRXRY-UHFFFAOYSA-N	-1	0	370.455	4.525	40	30		FJEBRM
N#Cc1ccc([C@@H]2CC=CS2)nc1S[C@H](C(=O)[O-])c1ccccc1	ZINC000006757155	571245067	/nfs/dbraw/zinc/24/50/67/571245067.db2.gz	VQLIGSDFPVUZIU-HOTGVXAUSA-N	-1	0	354.456	4.563	40	30		FJEBRM
O=[N+]([O-])c1cc(Cl)cc(C=Nc2ccc(N3CCCCC3)cc2)c1[O-]	ZINC000254703675	571292027	/nfs/dbraw/zinc/29/20/27/571292027.db2.gz	ITRHSIOLGCQXJK-UHFFFAOYSA-N	-1	0	359.813	4.695	40	30		FJEBRM
O=C([O-])c1ccc(COc2ccccc2/C=N/c2ccc(F)cc2F)cc1	ZINC000141271762	571311137	/nfs/dbraw/zinc/31/11/37/571311137.db2.gz	MGRLYOIUYSGBQD-WYMPLXKRSA-N	-1	0	367.351	4.993	40	30		FJEBRM
CCOc1cc([N+](=O)[O-])cc(/C=N/c2ccc3c4c(cccc42)CC3)c1[O-]	ZINC000003035794	571343794	/nfs/dbraw/zinc/34/37/94/571343794.db2.gz	PGWXEYCOQRWYRG-WSDLNYQXSA-N	-1	0	362.385	4.702	40	30		FJEBRM
Cc1ccc(S(=O)(=O)[N-]c2ccccc2/N=C/c2ccccc2)cc1	ZINC000017429140	220216186	/nfs/dbraw/zinc/21/61/86/220216186.db2.gz	WFDJKPVNICFGDL-RCCKNPSSSA-N	-1	0	350.443	4.546	40	30		FJEBRM
O=[N+]([O-])c1cc2oc3c(c2c(/C=N/c2ccc(Cl)cn2)c1[O-])CCCC3	ZINC000034106856	208102396	/nfs/dbraw/zinc/10/23/96/208102396.db2.gz	RVLXYBSADTXQPA-ZVBGSRNCSA-N	-1	0	371.780	4.724	40	30		FJEBRM
COc1ccc(-n2cccc2/C=N/c2cc(C(=O)[O-])ccc2Cl)cc1	ZINC000408857614	263501585	/nfs/dbraw/zinc/50/15/85/263501585.db2.gz	OVOOXAKIAZSDFV-CIAFOILYSA-N	-1	0	354.793	4.588	40	30		FJEBRM
CCCCC(C)(C)[C@H](O)/C=C/[C@H]1C=CC(=O)[C@@H]1CCCCCCC(=O)[O-]	ZINC000005819925	519916552	/nfs/dbraw/zinc/91/65/52/519916552.db2.gz	CTQQHQGBBMYJPT-DZFVFWAGSA-N	-1	0	364.526	4.916	40	30	in-vitro	FJEBRM
Cc1[n-]n(-c2ccccc2)c(=O)c1C(=[NH+][N-]c1ccccc1)c1ccccc1	ZINC000005536186	570629823	/nfs/dbraw/zinc/62/98/23/570629823.db2.gz	MPEMGVLEALXCEY-YYDJUVGSSA-N	-1	0	368.440	4.751	40	30		FJEBRM
O=C([O-])c1ccc(-c2ccc(C=NN=c3[nH]c4ccccc4s3)o2)cc1	ZINC000006244203	570644075	/nfs/dbraw/zinc/64/40/75/570644075.db2.gz	QJUDVTCHBGKWSR-JAIQZWGSSA-N	-1	0	363.398	4.701	40	30		FJEBRM
O=[N+]([O-])c1ccc([O-])c(/C=N/c2ccc(N3CCCCC3)c(Cl)c2)c1	ZINC000006815572	570654909	/nfs/dbraw/zinc/65/49/09/570654909.db2.gz	KBQCDWHSBWBJAS-UDWIEESQSA-N	-1	0	359.813	4.695	40	30		FJEBRM
Cc1cc(/C=N/c2cccc(C(=O)[O-])c2C)c(C)n1-c1ccc(F)cc1	ZINC000408781745	570687238	/nfs/dbraw/zinc/68/72/38/570687238.db2.gz	DNFYQHFDHQDMQF-FSJBWODESA-N	-1	0	350.393	4.990	40	30		FJEBRM
COc1cc(/C=N\C2CCCCC2)ccc1OCc1cccc(C(=O)[O-])c1	ZINC000408849676	570692387	/nfs/dbraw/zinc/69/23/87/570692387.db2.gz	XSGCZNOIYRUZBT-UCQKPKSFSA-N	-1	0	367.445	4.724	40	30		FJEBRM
Cc1cc(/C=N\c2cccc(O)c2)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1	ZINC000408945956	570701566	/nfs/dbraw/zinc/70/15/66/570701566.db2.gz	OISHFRJQGZTFOA-JJFYIABZSA-N	-1	0	368.820	4.902	40	30		FJEBRM
CC(=O)c1ccc(N=Cc2ccccc2OCc2ccc(C(=O)[O-])cc2)cc1	ZINC000408959996	570702916	/nfs/dbraw/zinc/70/29/16/570702916.db2.gz	HWERTXJUKATEMY-ZVHZXABRSA-N	-1	0	373.408	4.917	40	30		FJEBRM
Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=N\c2ccc([N+](=O)[O-])cc2)o1	ZINC000408960018	570702928	/nfs/dbraw/zinc/70/29/28/570702928.db2.gz	IAKMAFJJUOFGSP-JAIQZWGSSA-N	-1	0	350.330	4.612	40	30		FJEBRM
O=[N+]([O-])c1cc(Br)c([O-])c(/C=N/c2cccc3ccccc32)c1	ZINC000409070168	570719317	/nfs/dbraw/zinc/71/93/17/570719317.db2.gz	KXNHJOXLQSGIJF-VXLYETTFSA-N	-1	0	371.190	4.967	40	30		FJEBRM
CCOc1ccc(-n2c(C)cc(/C=N/c3cccc(C(=O)[O-])c3)c2C)cc1	ZINC000409186671	570737597	/nfs/dbraw/zinc/73/75/97/570737597.db2.gz	GIBNKXSFAXGTOO-OEAKJJBVSA-N	-1	0	362.429	4.942	40	30		FJEBRM
O=C([O-])c1ccc(-n2cccc2/C=N/c2cccc(Br)c2)cc1	ZINC000409235912	570742801	/nfs/dbraw/zinc/74/28/01/570742801.db2.gz	CYYHCQIJDOGDTP-UDWIEESQSA-N	-1	0	369.218	4.689	40	30		FJEBRM
CC[C@@H](C)Oc1c(Cl)cc(/C=N/c2cccc(C(=O)[O-])c2)cc1OC	ZINC000409383469	570754449	/nfs/dbraw/zinc/75/44/49/570754449.db2.gz	YMJQZBMPKZGLQM-KIHMUJGBSA-N	-1	0	361.825	4.975	40	30		FJEBRM
Cc1cc(/C=N/c2ccc([N+](=O)[O-])cc2[O-])c(C)n1-c1ccc(F)cc1	ZINC000100116535	570759889	/nfs/dbraw/zinc/75/98/89/570759889.db2.gz	VLWCATJYLYOPOH-SRZZPIQSSA-N	-1	0	353.353	4.598	40	30		FJEBRM
CCCCn1c2ccccc2nc1/N=C/c1cc(C)cc([N+](=O)[O-])c1[O-]	ZINC000019419157	570888729	/nfs/dbraw/zinc/88/87/29/570888729.db2.gz	QQLLWDZFNKVKII-UDWIEESQSA-N	-1	0	352.394	4.509	40	30		FJEBRM
CCc1nnc(C2=C([O-])C(=Cc3cccc4ccccc34)SC2=N)s1	ZINC000138453130	571311129	/nfs/dbraw/zinc/31/11/29/571311129.db2.gz	MXCLHNRWHGVXEB-KZEIVDJJSA-N	-1	0	365.483	4.672	40	30		FJEBRM
CCCCCCCCCCCCCCCC[NH+](CC(=O)[O-])CC(=O)[O-]	ZINC000100069858	209209194	/nfs/dbraw/zinc/20/91/94/209209194.db2.gz	AFPRBBQKUYJMJD-UHFFFAOYSA-N	-1	0	357.535	4.939	40	30		FJEBRM
C=CCn1c(-c2ccc(Cl)cc2)cs/c1=N\c1cccc(C(=O)[O-])c1	ZINC000012563021	220008588	/nfs/dbraw/zinc/00/85/88/220008588.db2.gz	DYRNZTAUVSGQEI-VZCXRCSSSA-N	-1	0	370.861	4.987	40	30		FJEBRM
CCN(CC)c1ccc(C=Nn2c(=S)[n-]nc2C2CCCCC2)cc1	ZINC000002339806	206910852	/nfs/dbraw/zinc/91/08/52/206910852.db2.gz	QNKQUFCBTREIGL-ZHZULCJRSA-N	-1	0	357.527	4.717	40	30		FJEBRM
O=C([O-])CCCCC(=NNc1cc(Cl)cc(Cl)c1)c1ccccn1	ZINC000016740318	207596211	/nfs/dbraw/zinc/59/62/11/207596211.db2.gz	QPRRIMVKBZWJHJ-CJLVFECKSA-N	-1	0	366.248	4.850	40	30		FJEBRM
C=C1CC[C@H]2[C@](C)(C(=O)OC)CCC[C@]2(C)[C@@H]1CC[C@H](C)CC(=O)[O-]	ZINC000035455587	220784457	/nfs/dbraw/zinc/78/44/57/220784457.db2.gz	WTDIRAZPDUAJEB-SJHNSPGYSA-N	-1	0	350.499	4.829	40	30	biogenic,in-vitro	FJEBRM
O=[N+]([O-])c1cc(Cl)cc(/C=N\c2ccc(N3CCCCC3)cc2)c1[O-]	ZINC000016428167	132881960	/nfs/dbraw/zinc/88/19/60/132881960.db2.gz	ITRHSIOLGCQXJK-NDENLUEZSA-N	-1	0	359.813	4.695	40	30		FJEBRM
Cc1cc(/C=N/c2ccc(O)c(C(=O)[O-])c2)c(C)n1-c1cc(C)cc(C)c1	ZINC000100116625	222236017	/nfs/dbraw/zinc/23/60/17/222236017.db2.gz	PJROAIAITHHQDV-FSJBWODESA-N	-1	0	362.429	4.865	40	30		FJEBRM
C/C(=N\c1cccc(O)c1)c1c([O-])c2ccccc2n(-c2ccccc2)c1=O	ZINC000100643563	222249205	/nfs/dbraw/zinc/24/92/05/222249205.db2.gz	BUPZUZGTXCHIFF-BUVRLJJBSA-N	-1	0	370.408	4.543	40	30		FJEBRM
CCCOc1ccc(C(F)(F)F)cc1/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000059475454	263420039	/nfs/dbraw/zinc/42/00/39/263420039.db2.gz	HYSPEVFZXVOVKL-UFFVCSGVSA-N	-1	0	368.311	4.859	40	30		FJEBRM
O=C([O-])COc1ccc(/C=N\c2ccc(Cl)cc2Cl)cc1Cl	ZINC000408849907	263501052	/nfs/dbraw/zinc/50/10/52/263501052.db2.gz	AOWFBXJUKZIYDW-GXHLCREISA-N	-1	0	358.608	4.861	40	30		FJEBRM
Cc1cc(/C=N\c2cccc(O)c2)c(C)n1-c1ccc(C(=O)[O-])c(Cl)c1	ZINC000408853335	263502300	/nfs/dbraw/zinc/50/23/00/263502300.db2.gz	REFSKLRWRCYOEZ-JJFYIABZSA-N	-1	0	368.820	4.902	40	30		FJEBRM
COc1cc(/C=N\c2ccccc2C)ccc1OCc1ccc(C(=O)[O-])o1	ZINC000409386702	263555264	/nfs/dbraw/zinc/55/52/64/263555264.db2.gz	WTRKFWUOFRNABE-UUYOSTAYSA-N	-1	0	365.385	4.624	40	30		FJEBRM
C=C1C[C@@H](O)[C@H](CCCCCCC(=O)[O-])[C@H]1CCC(=O)CCCCC	ZINC000064857706	518665686	/nfs/dbraw/zinc/66/56/86/518665686.db2.gz	CIGRLDHIXLOIRP-XUVXKRRUSA-N	-1	0	352.515	4.894	40	30	in-vitro	FJEBRM
Cc1ccc(Cl)cc1/N=C/c1cc([N+](=O)[O-])cc(Br)c1[O-]	ZINC000004991263	570616710	/nfs/dbraw/zinc/61/67/10/570616710.db2.gz	LTRMZJHAQRPXOP-REZTVBANSA-N	-1	0	369.602	4.775	40	30		FJEBRM
Cc1cc(/C=N/Cc2ccc(C(=O)[O-])cc2)c(C)n1-c1ccc(F)cc1	ZINC000408778617	570686323	/nfs/dbraw/zinc/68/63/23/570686323.db2.gz	IQPHHAKUFBNILU-YDZHTSKRSA-N	-1	0	350.393	4.551	40	30		FJEBRM
Cc1cc(/C=N/c2ccc(O)cc2)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1	ZINC000408956724	570702850	/nfs/dbraw/zinc/70/28/50/570702850.db2.gz	ZNBWVVAOVLWWKT-SSDVNMTOSA-N	-1	0	368.820	4.902	40	30		FJEBRM
CCc1ccccc1-n1c(C)cc(/C=N\c2ccc(O)c(C(=O)[O-])c2)c1C	ZINC000408967898	570705073	/nfs/dbraw/zinc/70/50/73/570705073.db2.gz	SPJDLAFZDYKMSF-QRVIBDJDSA-N	-1	0	362.429	4.811	40	30		FJEBRM
CCn1nc(C)c(/N=C/c2c(O)ccc3cc(Br)ccc32)c1C	ZINC000408977154	570706645	/nfs/dbraw/zinc/70/66/45/570706645.db2.gz	UPUDFSJDXCTOGM-KEBDBYFISA-N	-1	0	372.266	4.892	40	30		FJEBRM
CC[C@H](C)c1ccc(/N=C/c2ccc(O[C@@H](C)C(=O)[O-])c(OC)c2)cc1	ZINC000409018590	570712999	/nfs/dbraw/zinc/71/29/99/570712999.db2.gz	XGJQEOMNGRIXGG-RJSXDPMQSA-N	-1	0	355.434	4.811	40	30		FJEBRM
COc1cc(/C=N/c2ccc(C)c(Cl)c2)cc(Cl)c1OCC(=O)[O-]	ZINC000409212436	570740888	/nfs/dbraw/zinc/74/08/88/570740888.db2.gz	MGEUGUIDQCSOFP-DNTJNYDQSA-N	-1	0	368.216	4.524	40	30		FJEBRM
Cc1cc(/C=N\c2ccc(N(C)C)cc2)c(C)n1-c1ccccc1C(=O)[O-]	ZINC000409215196	570741516	/nfs/dbraw/zinc/74/15/16/570741516.db2.gz	YIERHNNFIJGTAA-UCQKPKSFSA-N	-1	0	361.445	4.609	40	30		FJEBRM
N#Cc1c2c(sc1/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-])CCCC2	ZINC000001501678	570764997	/nfs/dbraw/zinc/76/49/97/570764997.db2.gz	ZDXRGMNPYDBGBP-UFWORHAWSA-N	-1	0	361.810	4.516	40	30		FJEBRM
CC(=Nc1cc(C)nn1-c1ccccc1)c1c(C)[n-]n(-c2ccccc2)c1=O	ZINC000016283364	570853738	/nfs/dbraw/zinc/85/37/38/570853738.db2.gz	STPKEGVNVDGSPX-KQWNVCNZSA-N	-1	0	371.444	4.521	40	30		FJEBRM
C=CCc1cc(/C=N/c2cccc(Cl)c2C)cc(OC)c1OCC(=O)[O-]	ZINC000059248663	571088532	/nfs/dbraw/zinc/08/85/32/571088532.db2.gz	HNTUJBIWGUVBBM-SSDVNMTOSA-N	-1	0	373.836	4.600	40	30		FJEBRM
CC(C)(C)[C@@H]1CCc2c(C#N)c([N-]C(=O)c3ccc([N+](=O)[O-])o3)sc2C1	ZINC000020461300	571305097	/nfs/dbraw/zinc/30/50/97/571305097.db2.gz	KHSMMJOHVJJMPH-SNVBAGLBSA-N	-1	0	373.434	4.524	40	30		FJEBRM
O=C([O-])c1ccccc1-c1ccc(C=NN=c2[nH]c3ccccc3s2)o1	ZINC000096481732	571310722	/nfs/dbraw/zinc/31/07/22/571310722.db2.gz	HHMAFYGQLZKZOI-JAIQZWGSSA-N	-1	0	363.398	4.701	40	30		FJEBRM
N=C1SC(=Cc2ccc(-c3ccc(F)cc3)o2)C([O-])=C1c1nccs1	ZINC000034690620	571310771	/nfs/dbraw/zinc/31/07/71/571310771.db2.gz	VGWPULMGXGXLHI-MRLXPSEMSA-N	-1	0	370.430	4.960	40	30		FJEBRM
N#Cc1ccc([C@@H]2CC=CS2)nc1S[C@@H](C(=O)[O-])c1ccccc1	ZINC000006757206	219766892	/nfs/dbraw/zinc/76/68/92/219766892.db2.gz	VQLIGSDFPVUZIU-JKSUJKDBSA-N	-1	0	354.456	4.563	40	30		FJEBRM
Cc1ccc(/C=N\c2ccccc2[N-]S(=O)(=O)c2ccc(C)cc2)cc1	ZINC000104094059	209258448	/nfs/dbraw/zinc/25/84/48/209258448.db2.gz	ZWPLIIXBQOIWBT-JCMHNJIXSA-N	-1	0	364.470	4.855	40	30		FJEBRM
O=[N+]([O-])c1ccc([O-])c(/C=N/c2cccc(-c3nc4ccccc4[nH]3)c2)c1	ZINC000005179576	207085556	/nfs/dbraw/zinc/08/55/56/207085556.db2.gz	BZNQLIUYDFUTGA-CIAFOILYSA-N	-1	0	358.357	4.594	40	30		FJEBRM
CC(=O)c1cccc(N=Cc2cc(Cl)cc(Br)c2[O-])c1	ZINC000006357098	207138582	/nfs/dbraw/zinc/13/85/82/207138582.db2.gz	DEMPKKYRFLIZPD-QGMBQPNBSA-N	-1	0	352.615	4.761	40	30		FJEBRM
Cc1cc2c(cc1C=[NH+][N-]c1ccc(C(=O)[O-])cc1)C(C)=CC(C)(C)N2C	ZINC000208457710	132269179	/nfs/dbraw/zinc/26/91/79/132269179.db2.gz	IWQKQXXRZGMGLD-QRVIBDJDSA-N	-1	0	363.461	4.771	40	30		FJEBRM
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(-c2ccccc2)cc1	ZINC000100844415	222255077	/nfs/dbraw/zinc/25/50/77/222255077.db2.gz	OEXUTRAFLGMEKV-DARPEHSRSA-N	-1	0	354.413	4.544	40	30		FJEBRM
Cc1ccc(S(=O)(=O)[N-]c2ccccc2/N=C\c2ccccc2)cc1	ZINC000103824021	222344513	/nfs/dbraw/zinc/34/45/13/222344513.db2.gz	WFDJKPVNICFGDL-QNGOZBTKSA-N	-1	0	350.443	4.546	40	30		FJEBRM
C=C1CC[C@@H]2[C@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CC[C@H](C)CC(=O)[O-]	ZINC000104647519	222358862	/nfs/dbraw/zinc/35/88/62/222358862.db2.gz	WTDIRAZPDUAJEB-RNHZEXENSA-N	-1	0	350.499	4.829	40	30	biogenic,in-vitro	FJEBRM
[O-]c1ccc(/N=C\c2ccc3c(c2)OCO3)cc1-c1nc2ccccc2o1	ZINC000005605058	263342208	/nfs/dbraw/zinc/34/22/08/263342208.db2.gz	GYSFICACBLZNSS-JJFYIABZSA-N	-1	0	358.353	4.680	40	30		FJEBRM
C=CCc1cc(/C=N/c2ccc(C(C)C)cc2)cc(OC)c1OCC(=O)[O-]	ZINC000059678490	263422111	/nfs/dbraw/zinc/42/21/11/263422111.db2.gz	TUIAHBLDGZGRRU-YDZHTSKRSA-N	-1	0	367.445	4.761	40	30		FJEBRM
C=C1CC[C@@H]2[C@](C)(C(=O)OC)CCC[C@]2(C)[C@@H]1CC[C@H](C)CC(=O)[O-]	ZINC000248202229	518663802	/nfs/dbraw/zinc/66/38/02/518663802.db2.gz	WTDIRAZPDUAJEB-NZHGRIAHSA-N	-1	0	350.499	4.829	40	30	biogenic,in-vitro	FJEBRM
C=CCc1cc(/C=N/c2sc3c(c2C#N)CCCC3)cc(OC)c1O	ZINC000008109011	570617898	/nfs/dbraw/zinc/61/78/98/570617898.db2.gz	WRJLOHFKJOBLRY-WSDLNYQXSA-N	-1	0	352.459	4.692	40	30		FJEBRM
COC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccccc3[S-])c2C)cc1	ZINC000408742859	570688096	/nfs/dbraw/zinc/68/80/96/570688096.db2.gz	QEYGVYLJLXIMLO-LPYMAVHISA-N	-1	0	364.470	4.920	40	30		FJEBRM
COc1ccc(Oc2ccc(/N=C/c3ccc([O-])c([N+](=O)[O-])c3)cc2)cc1	ZINC000408904911	570696629	/nfs/dbraw/zinc/69/66/29/570696629.db2.gz	QHKZEHARRRBNQC-FYJGNVAPSA-N	-1	0	364.357	4.852	40	30		FJEBRM
CN(C)c1ccc(-n2cccc2/C=N\c2ccc(Cl)c(C(=O)[O-])c2)cc1	ZINC000408949348	570701946	/nfs/dbraw/zinc/70/19/46/570701946.db2.gz	BGWHIJULLZNXFC-XKZIYDEJSA-N	-1	0	367.836	4.646	40	30		FJEBRM
CC(=O)c1cccc(N=Cc2ccccc2OCc2ccc(C(=O)[O-])cc2)c1	ZINC000408959647	570702977	/nfs/dbraw/zinc/70/29/77/570702977.db2.gz	CNGCNQFVRXSBLY-ZVHZXABRSA-N	-1	0	373.408	4.917	40	30		FJEBRM
Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=N\c2cccc([N+](=O)[O-])c2)o1	ZINC000408962438	570703658	/nfs/dbraw/zinc/70/36/58/570703658.db2.gz	SBRBDTKFKVLWEG-JAIQZWGSSA-N	-1	0	350.330	4.612	40	30		FJEBRM
CC[C@H](C)c1ccc(/N=C/c2ccc(O[C@H](C)C(=O)[O-])c(OC)c2)cc1	ZINC000409018583	570713041	/nfs/dbraw/zinc/71/30/41/570713041.db2.gz	XGJQEOMNGRIXGG-FOCYVMGBSA-N	-1	0	355.434	4.811	40	30		FJEBRM
O=[N+]([O-])c1cc(Br)c([O-])c(/C=N/c2ccc(F)c(Cl)c2)c1	ZINC000409100185	570723965	/nfs/dbraw/zinc/72/39/65/570723965.db2.gz	SVJZGVDSLVVWNL-UBKPWBPPSA-N	-1	0	373.565	4.606	40	30		FJEBRM
COc1cc(N2CCCCC2)ccc1/C=N\c1ccc(Cl)c(C(=O)[O-])c1	ZINC000409234973	570744932	/nfs/dbraw/zinc/74/49/32/570744932.db2.gz	BNUUEWTZSMFAAL-XKZIYDEJSA-N	-1	0	372.852	4.788	40	30		FJEBRM
CCCCc1ccc(/N=C/c2cccc(OC)c2O[C@@H](C)C(=O)[O-])cc1	ZINC000409241062	570745750	/nfs/dbraw/zinc/74/57/50/570745750.db2.gz	WVBCEVPSARISID-WXUSHSQQSA-N	-1	0	355.434	4.640	40	30		FJEBRM
O=C([O-])c1ccc(Cl)c(NC=CC(=O)c2ccc3ccccc3c2)c1	ZINC000016545737	570858082	/nfs/dbraw/zinc/85/80/82/570858082.db2.gz	QMNZOEALPUFMRZ-KTKRTIGZSA-N	-1	0	351.789	5.000	40	30		FJEBRM
COc1cc(/C=N/c2ccccc2)ccc1OCc1cccc(C(=O)[O-])c1	ZINC000059678420	571092126	/nfs/dbraw/zinc/09/21/26/571092126.db2.gz	QJBZFHSAIZFYDK-OEAKJJBVSA-N	-1	0	361.397	4.723	40	30		FJEBRM
COc1ccc([C@H](C#N)C2CCC(C(=O)[O-])CC2)cc1OC1CCCC1	ZINC000575449219	571174675	/nfs/dbraw/zinc/17/46/75/571174675.db2.gz	DQDQOCDSQNFGTG-JTTJXQCZSA-N	-1	0	357.450	4.515	40	30		FJEBRM
CC(C)(C)[C@H]1CCc2c(C#N)c([N-]C(=O)c3ccc([N+](=O)[O-])o3)sc2C1	ZINC000020461303	571305072	/nfs/dbraw/zinc/30/50/72/571305072.db2.gz	KHSMMJOHVJJMPH-JTQLQIEISA-N	-1	0	373.434	4.524	40	30		FJEBRM
CC(C)(C)[C@@H]1CCc2c(C#N)c([N-]S(=O)(=O)c3ccccc3)sc2C1	ZINC000059413252	571306516	/nfs/dbraw/zinc/30/65/16/571306516.db2.gz	MXEKUBGRRDPKEO-CYBMUJFWSA-N	-1	0	374.531	4.572	40	30		FJEBRM
CCCCC(C)(C)[C@H](O)/C=C\[C@@H]1C=CC(=O)[C@@H]1C/C=C/CCCC(=O)[O-]	ZINC000111940724	571311001	/nfs/dbraw/zinc/31/10/01/571311001.db2.gz	MOTPSJUHMGPRFZ-CEPBGKCISA-N	-1	0	362.510	4.692	40	30		FJEBRM
COc1ccc2ccccc2c1C=C1SC(=N)C(c2nccs2)=C1[O-]	ZINC000138752890	571311127	/nfs/dbraw/zinc/31/11/27/571311127.db2.gz	UYFILIWUTCYOOJ-KCNVCSLJSA-N	-1	0	366.467	4.723	40	30		FJEBRM
Cc1cc2sc(/N=C/c3cc(Cl)cc([N+](=O)[O-])c3[O-])nc2c(C)c1	ZINC000000802221	219323609	/nfs/dbraw/zinc/32/36/09/219323609.db2.gz	YAZMKIVVOMPWTH-CNHKJKLMSA-N	-1	0	361.810	4.931	40	30		FJEBRM
O=[N+]([O-])c1ccc(/C=N/c2ccc([O-])c(-c3nc4ccccc4o3)c2)s1	ZINC000000910310	219339948	/nfs/dbraw/zinc/33/99/48/219339948.db2.gz	HOCLCCHMQHASHR-VXLYETTFSA-N	-1	0	365.370	4.921	40	30		FJEBRM
O=[N+]([O-])c1cc(Cl)c([O-])c(/C=N/c2ccc3c4c(cccc42)CC3)c1	ZINC000005583034	219690454	/nfs/dbraw/zinc/69/04/54/219690454.db2.gz	MZXKXCXFMGKWHM-UFFVCSGVSA-N	-1	0	352.777	4.956	40	30		FJEBRM
COc1ccccc1C=Nn1c(=S)[n-]nc1-c1ccc(C(C)(C)C)cc1	ZINC000012466605	207381127	/nfs/dbraw/zinc/38/11/27/207381127.db2.gz	CISDPLLALZSHJW-BKUYFWCQSA-N	-1	0	366.490	4.796	40	30		FJEBRM
Cc1ccc(/N=C\c2cc(Br)cc([N+](=O)[O-])c2[O-])cc1Cl	ZINC000098064185	222223547	/nfs/dbraw/zinc/22/35/47/222223547.db2.gz	LHHRHHWPAPTLME-IDUWFGFVSA-N	-1	0	369.602	4.775	40	30		FJEBRM
CC[C@H](C)c1ccc(/N=C/c2cccc(OC)c2O[C@H](C)C(=O)[O-])cc1	ZINC000409242557	263546440	/nfs/dbraw/zinc/54/64/40/263546440.db2.gz	OOLDWDOAMAYTKV-FOCYVMGBSA-N	-1	0	355.434	4.811	40	30		FJEBRM
Cc1ccc(/N=C/c2cc(Br)c([O-])c(Br)c2)cc1	ZINC000005543282	570629939	/nfs/dbraw/zinc/62/99/39/570629939.db2.gz	ZYFARGURVWONSI-CAOOACKPSA-N	-1	0	369.056	4.976	40	30		FJEBRM
CC(C)(C)c1ccc(CSc2sc3c([nH]c(=O)cc3[O-])c2C#N)cc1	ZINC000004945404	570673330	/nfs/dbraw/zinc/67/33/30/570673330.db2.gz	MQRLSBVHRVIAFJ-UHFFFAOYSA-N	-1	0	370.499	4.757	40	30		FJEBRM
C=CCc1cc(/C=N/c2ccc(C(=O)[O-])c(Cl)c2)cc(OCC)c1O	ZINC000408842871	570691298	/nfs/dbraw/zinc/69/12/98/570691298.db2.gz	CMVGICHAMBEIPD-SRZZPIQSSA-N	-1	0	359.809	4.622	40	30		FJEBRM
COc1cc(/C=N/c2ccccc2)ccc1OCc1ccc(C(=O)[O-])cc1	ZINC000408966493	570703332	/nfs/dbraw/zinc/70/33/32/570703332.db2.gz	MXKFQVBKUHZQJI-OEAKJJBVSA-N	-1	0	361.397	4.723	40	30		FJEBRM
CCc1ccccc1-n1c(C)cc(/C=N/Cc2ccc(C(=O)[O-])cc2)c1C	ZINC000408968141	570705121	/nfs/dbraw/zinc/70/51/21/570705121.db2.gz	UKJZUWPFXOFJBY-BUVRLJJBSA-N	-1	0	360.457	4.974	40	30		FJEBRM
CC[C@@H](C)c1ccc(/N=C/c2ccc(O[C@H](C)C(=O)[O-])c(OC)c2)cc1	ZINC000409018586	570713026	/nfs/dbraw/zinc/71/30/26/570713026.db2.gz	XGJQEOMNGRIXGG-JLXMYUAZSA-N	-1	0	355.434	4.811	40	30		FJEBRM
COc1ccc(Oc2ccc(/N=C/c3cc([N+](=O)[O-])ccc3[O-])cc2)cc1	ZINC000409094757	570721050	/nfs/dbraw/zinc/72/10/50/570721050.db2.gz	FWFJOEBGGVRYSK-FYJGNVAPSA-N	-1	0	364.357	4.852	40	30		FJEBRM
COc1cccc(/C=N\C2CCCCC2)c1OCc1ccc(C(=O)[O-])cc1	ZINC000409187539	570736557	/nfs/dbraw/zinc/73/65/57/570736557.db2.gz	RQRXTQBQDSMPTD-UCQKPKSFSA-N	-1	0	367.445	4.724	40	30		FJEBRM
CC(C)/N=C1\S/C(=C/c2cc(Cl)cc(Cl)c2[O-])C(=O)N1C(C)C	ZINC000409216882	570741934	/nfs/dbraw/zinc/74/19/34/570741934.db2.gz	PKLJRQOGUQTSHB-GEHGQZCVSA-N	-1	0	373.305	4.788	40	30		FJEBRM
COc1cccc(/C=N\c2cccc(Cl)c2Cl)c1O[C@@H](C)C(=O)[O-]	ZINC000409251787	570746603	/nfs/dbraw/zinc/74/66/03/570746603.db2.gz	WEYOZTQRBVKUFR-ZFKRWFGPSA-N	-1	0	368.216	4.605	40	30		FJEBRM
CCCc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1cccc(C(F)(F)F)c1	ZINC000104192083	209260048	/nfs/dbraw/zinc/26/00/48/209260048.db2.gz	JTQMOTOWYNQIGD-ULJHMMPZSA-N	-1	0	374.366	4.676	40	30		FJEBRM
Cc1ccc(-c2n[n-]c(=S)n2N=Cc2c(O)ccc3ccccc32)cc1	ZINC000037501406	208181324	/nfs/dbraw/zinc/18/13/24/208181324.db2.gz	JRQYJPYPGWICEA-MTJSOVHGSA-N	-1	0	360.442	4.657	40	30		FJEBRM
Cc1ccc(S(=O)(=O)[N-]c2ccccc2/N=C/c2ccc(F)cc2)cc1	ZINC000095851159	209086828	/nfs/dbraw/zinc/08/68/28/209086828.db2.gz	OMETVNRHDMJBAM-HYARGMPZSA-N	-1	0	368.433	4.686	40	30		FJEBRM
CCn1c(=O)c(/C=N/c2cc(Cl)ccc2Cl)c([O-])c2ccccc21	ZINC000100192836	222238040	/nfs/dbraw/zinc/23/80/40/222238040.db2.gz	YFZCKKBTPBJPHL-UFFVCSGVSA-N	-1	0	361.228	4.784	40	30		FJEBRM
Cc1ccc(/N=C/c2cc(Cl)c(OCC(=O)[O-])c(Cl)c2)cc1C	ZINC000409212323	263541660	/nfs/dbraw/zinc/54/16/60/263541660.db2.gz	OWKHDJAYNUPWCH-DNTJNYDQSA-N	-1	0	352.217	4.824	40	30		FJEBRM
O=C1NC(=Nc2ccccc2)S/C1=C\c1cc(Cl)c([O-])c(Cl)c1	ZINC000408528703	570508880	/nfs/dbraw/zinc/50/88/80/570508880.db2.gz	FBJMKJKJHMIGPN-JYRVWZFOSA-N	-1	0	365.241	4.591	40	30		FJEBRM
Cc1cc(/C=C/C(=O)c2ccc(C)cc2)c(C)n1-c1ccc(CC(=O)[O-])cc1	ZINC000408692947	570648891	/nfs/dbraw/zinc/64/88/91/570648891.db2.gz	ZABSWWFNKSQLDD-JLHYYAGUSA-N	-1	0	373.452	4.926	40	30		FJEBRM
Cc1cc(/C=N\c2ccccc2O)c(C)n1-c1ccc(C(=O)[O-])c(Cl)c1	ZINC000408845351	570691683	/nfs/dbraw/zinc/69/16/83/570691683.db2.gz	GEDBOLXVUFNEES-JJFYIABZSA-N	-1	0	368.820	4.902	40	30		FJEBRM
O=C([O-])COc1ccc(/C=N\c2ccc(Cl)c(Cl)c2)cc1Cl	ZINC000408852421	570692078	/nfs/dbraw/zinc/69/20/78/570692078.db2.gz	FNVXSAMLSKJQNG-GXHLCREISA-N	-1	0	358.608	4.861	40	30		FJEBRM
CCCCC[C@H](O)/C=C/[C@@H]1CC/C(=N\O)[C@H]1CCCCCCC(=O)[O-]	ZINC000036496841	570696606	/nfs/dbraw/zinc/69/66/06/570696606.db2.gz	VVNPPIUUPJFWII-FJEJTWGWSA-N	-1	0	353.503	4.765	40	30		FJEBRM
Cc1ccc(-n2cccc2/C=N\c2ccc(O)c(C(=O)[O-])c2)cc1Cl	ZINC000409017830	570713141	/nfs/dbraw/zinc/71/31/41/570713141.db2.gz	GCWSDFCYAXLEGX-NHDPSOOVSA-N	-1	0	354.793	4.594	40	30		FJEBRM
FC(F)(F)C(F)(F)C(F)(F)N/N=C\c1ccc([S-])c2ccccc12	ZINC000409042737	570715560	/nfs/dbraw/zinc/71/55/60/570715560.db2.gz	XPGPEWSCCMIPAA-HOEBFWFUSA-N	-1	0	370.293	4.842	40	30		FJEBRM
COc1ccc(/N=C/c2cccn2-c2cccc(C(=O)[O-])c2)cc1Cl	ZINC000409106023	570726433	/nfs/dbraw/zinc/72/64/33/570726433.db2.gz	KLCYEFAGRWNGCP-CIAFOILYSA-N	-1	0	354.793	4.588	40	30		FJEBRM
O=C([O-])c1cccc(-n2cccc2/C=N/c2cccc(Br)c2)c1	ZINC000409108051	570727051	/nfs/dbraw/zinc/72/70/51/570727051.db2.gz	VHHAXHDAILXNAQ-UDWIEESQSA-N	-1	0	369.218	4.689	40	30		FJEBRM
COc1cccc(/C=N\c2ccc(Cl)c(Cl)c2)c1O[C@@H](C)C(=O)[O-]	ZINC000409248836	570745359	/nfs/dbraw/zinc/74/53/59/570745359.db2.gz	RLOUAKQAVJTZLF-ZFKRWFGPSA-N	-1	0	368.216	4.605	40	30		FJEBRM
CCCCc1ccc(/N=C/c2cccc(OC)c2O[C@H](C)C(=O)[O-])cc1	ZINC000409241060	570745767	/nfs/dbraw/zinc/74/57/67/570745767.db2.gz	WVBCEVPSARISID-QQHUYRGFSA-N	-1	0	355.434	4.640	40	30		FJEBRM
C=CCc1cc(/C=N/c2cc(C(=O)[O-])ccc2Cl)cc(OCC)c1O	ZINC000059247891	571088499	/nfs/dbraw/zinc/08/84/99/571088499.db2.gz	MXTBJFYKPLNJIQ-SRZZPIQSSA-N	-1	0	359.809	4.622	40	30		FJEBRM
CCc1nnc(C2=C([O-])C(=Cc3ccc(C(C)(C)C)cc3)SC2=N)s1	ZINC000137728126	571311029	/nfs/dbraw/zinc/31/10/29/571311029.db2.gz	LCFVPKBXYBSPDZ-HLXRQYPVSA-N	-1	0	371.531	4.816	40	30		FJEBRM
CCCCC(C)(C)[C@H](O)/C=C\[C@H]1C=CC(=O)[C@@H]1CCCCCCC(=O)[O-]	ZINC000195760648	571311132	/nfs/dbraw/zinc/31/11/32/571311132.db2.gz	CTQQHQGBBMYJPT-XBCVUKPCSA-N	-1	0	364.526	4.916	40	30		FJEBRM
Cc1c2c(c(C)n1/N=C/c1cc(Cl)cc(Cl)c1[O-])c(C)nnc2C	ZINC000000842740	219329502	/nfs/dbraw/zinc/32/95/02/219329502.db2.gz	WXZNCQVNCLIOIV-IFRROFPPSA-N	-1	0	363.248	4.560	40	30		FJEBRM
COc1ccc(C=Nn2c(=S)[n-]nc2-c2ccc(C(C)(C)C)cc2)cc1	ZINC000012466444	207380569	/nfs/dbraw/zinc/38/05/69/207380569.db2.gz	WASXKKCDZRXBRF-BKUYFWCQSA-N	-1	0	366.490	4.796	40	30		FJEBRM
Cc1cc(/C=N/c2cccnc2)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1	ZINC000408943670	263509000	/nfs/dbraw/zinc/50/90/00/263509000.db2.gz	LTKPERHMTRZMOD-LSHDLFTRSA-N	-1	0	353.809	4.591	40	30		FJEBRM
COc1ccc(CC/N=C(/C)c2cc(Cl)cc(Cl)c2[O-])cc1OC	ZINC000104215967	523913594	/nfs/dbraw/zinc/91/35/94/523913594.db2.gz	IZQZXBBSBKAZHM-NHDPSOOVSA-N	-1	0	368.260	4.768	40	30		FJEBRM
C=C1[C@H]2C[C@@]3(CC[C@@H]4[C@](C)(C(=O)[O-])CCC[C@]4(C)[C@@H]3CC2)[C@@H]1OC(C)=O	ZINC000004104839	560197032	/nfs/dbraw/zinc/19/70/32/560197032.db2.gz	AQBQBBLJTDSVLC-RJFJTONSSA-N	-1	0	360.494	4.582	40	30	biogenic,in-vitro	FJEBRM
FC(F)(F)c1ccc(C=Nn2c(=S)[n-]nc2C2CCCCC2)cc1	ZINC000002318319	570518989	/nfs/dbraw/zinc/51/89/89/570518989.db2.gz	LABOTLKXMRLBCB-JMIUGGIZSA-N	-1	0	354.401	4.889	40	30		FJEBRM
C=CCOc1c(Cl)cc(CNc2cccc(C(=O)[O-])c2)cc1Cl	ZINC000408610977	570582749	/nfs/dbraw/zinc/58/27/49/570582749.db2.gz	PHQFLFNFVNQURZ-UHFFFAOYSA-N	-1	0	352.217	4.869	40	30		FJEBRM
N=C1SC(=Cc2ccc(-c3ccc(F)cc3)o2)C([O-])=C1c1nccs1	ZINC000136799944	570630065	/nfs/dbraw/zinc/63/00/65/570630065.db2.gz	VGWPULMGXGXLHI-AOXLQZBSSA-N	-1	0	370.430	4.960	40	30		FJEBRM
Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1ccc(Cc2ccncc2)cc1	ZINC000006792380	570654497	/nfs/dbraw/zinc/65/44/97/570654497.db2.gz	XXIMPLMDXXTIJI-PCLIKHOPSA-N	-1	0	368.440	4.623	40	30		FJEBRM
O=[N+]([O-])c1ccc([O-])c(/C=N/c2cccc(-c3nc4ccccc4o3)c2)c1	ZINC000005003739	570675029	/nfs/dbraw/zinc/67/50/29/570675029.db2.gz	GTCUNGLDOJLOAM-CIAFOILYSA-N	-1	0	359.341	4.859	40	30		FJEBRM
COc1ccc2c(c1)N(C)/C(=C\C=C\C=N\c1ccc(C(=O)[O-])cc1)S2	ZINC000005248280	570677788	/nfs/dbraw/zinc/67/77/88/570677788.db2.gz	AGUULNLLHJXMQV-TVKAPLGMSA-N	-1	0	366.442	4.735	40	30		FJEBRM
COc1ccc(-n2cccc2/C=N/c2ccc(C(=O)[O-])c(Cl)c2)cc1	ZINC000408851215	570692423	/nfs/dbraw/zinc/69/24/23/570692423.db2.gz	AGGDWINGRVVQJQ-CIAFOILYSA-N	-1	0	354.793	4.588	40	30		FJEBRM
CC(=O)Nc1ccc(/N=C/c2ccc(-c3ccc(C)c(C(=O)[O-])c3)o2)cc1	ZINC000408857582	570692821	/nfs/dbraw/zinc/69/28/21/570692821.db2.gz	OJTWIYWSSHHIKT-WSDLNYQXSA-N	-1	0	362.385	4.662	40	30		FJEBRM
CN(C)c1ccc(-n2cccc2/C=N/c2ccc(C(=O)[O-])c(Cl)c2)cc1	ZINC000408952771	570702479	/nfs/dbraw/zinc/70/24/79/570702479.db2.gz	MRQGWNQUPHCNPT-LPYMAVHISA-N	-1	0	367.836	4.646	40	30		FJEBRM
C=CCc1cc(/C=N/c2cc(Cl)ccc2C)cc(OC)c1OCC(=O)[O-]	ZINC000059678936	571092372	/nfs/dbraw/zinc/09/23/72/571092372.db2.gz	YLNINOJURMYGJF-SSDVNMTOSA-N	-1	0	373.836	4.600	40	30		FJEBRM
[O-]c1ccccc1-c1nc2ccccc2c(N=NCc2ccc(F)cc2)n1	ZINC000004748592	219604330	/nfs/dbraw/zinc/60/43/30/219604330.db2.gz	SPKWTRYIZRVXCG-YDZHTSKRSA-N	-1	0	358.376	4.588	40	30		FJEBRM
C=C1[C@@H](OC(C)=O)[C@@]23C[C@@H]1CC[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)[O-])[C@H]1CC3	ZINC000013423830	220067510	/nfs/dbraw/zinc/06/75/10/220067510.db2.gz	AQBQBBLJTDSVLC-FFPWWWKNSA-N	-1	0	360.494	4.582	40	30	biogenic,in-vitro	FJEBRM
CCCn1c2ccccc2nc1N=Cc1c(C)[n-]n(-c2ccc(C)cc2)c1=O	ZINC000006391629	207139365	/nfs/dbraw/zinc/13/93/65/207139365.db2.gz	MLVJILPKGYLUOW-OEAKJJBVSA-N	-1	0	373.460	4.705	40	30		FJEBRM
C[C@@H]1CC(C)(C)N(C)c2ccc(C=[NH+][N-]c3ccc(C(=O)[O-])cc3)cc21	ZINC000208207925	132268414	/nfs/dbraw/zinc/26/84/14/132268414.db2.gz	VJUYOCPFAIUWKU-BXSODOALSA-N	-1	0	351.450	4.553	40	30		FJEBRM
Cc1cc2c(cc1C=[NH+][N-]c1ccc(C(=O)[O-])cc1)[C@@H](C)CC(C)(C)N2C	ZINC000208211067	132268682	/nfs/dbraw/zinc/26/86/82/132268682.db2.gz	UZNJFZIFHYHFAG-VRHSPDTKSA-N	-1	0	365.477	4.861	40	30		FJEBRM
CC[C@H](C)Oc1c(Cl)cc(/C=N/c2cccc(C(=O)[O-])c2)cc1OC	ZINC000409383472	263555022	/nfs/dbraw/zinc/55/50/22/263555022.db2.gz	YMJQZBMPKZGLQM-OVMKCGGTSA-N	-1	0	361.825	4.975	40	30		FJEBRM
CCCCC(C)(C)[C@H](O)/C=C/[C@H]1C=CC(=O)[C@@H]1C/C=C\CCCC(=O)[O-]	ZINC000027639082	519916849	/nfs/dbraw/zinc/91/68/49/519916849.db2.gz	MOTPSJUHMGPRFZ-QEJIITRLSA-N	-1	0	362.510	4.692	40	30	in-vitro	FJEBRM
Cc1cc(N(CCC#N)CCC#N)ccc1/N=N\c1cccc(C(=O)[O-])c1	ZINC000104283839	525030561	/nfs/dbraw/zinc/03/05/61/525030561.db2.gz	XQLWUFCDTVCONH-VHXPQNKSSA-N	-1	0	361.405	4.742	40	30		FJEBRM
Cc1cc(N(CCC#N)CCC#N)ccc1/N=N\c1ccc(C(=O)[O-])cc1	ZINC000104283832	525031278	/nfs/dbraw/zinc/03/12/78/525031278.db2.gz	CWLNIMBEUSXFMH-VHXPQNKSSA-N	-1	0	361.405	4.742	40	30		FJEBRM
CCc1nnc(C2=C([O-])C(=Cc3ccc(C(C)C)cc3)SC2=N)s1	ZINC000033717876	568254801	/nfs/dbraw/zinc/25/48/01/568254801.db2.gz	BDJFXAWIHWCEAX-XDNJSQOTSA-N	-1	0	357.504	4.642	40	30		FJEBRM
CCCCC(C)(C)[C@H](O)/C=C/[C@@H]1C=CC(=O)[C@@H]1CCCCCCC(=O)[O-]	ZINC000095869969	570471439	/nfs/dbraw/zinc/47/14/39/570471439.db2.gz	CTQQHQGBBMYJPT-VYVMALSDSA-N	-1	0	364.526	4.916	40	30		FJEBRM
O=C([O-])c1ccc(Cn2cc(/C=N\c3ccccc3F)c3ccccc32)o1	ZINC000408542742	570526640	/nfs/dbraw/zinc/52/66/40/570526640.db2.gz	NRKSIPVUTCLGTB-KSEXSDGBSA-N	-1	0	362.360	4.871	40	30		FJEBRM
COc1cccc(/N=C/c2cn(Cc3ccc(C(=O)[O-])o3)c3ccccc23)c1	ZINC000408545053	570527126	/nfs/dbraw/zinc/52/71/26/570527126.db2.gz	YVDIRSWPAKMSRX-FSJBWODESA-N	-1	0	374.396	4.740	40	30		FJEBRM
O=C([O-])c1ccc(Cn2cc(/C=N/c3ccc(F)cc3)c3ccccc32)o1	ZINC000408541546	570528361	/nfs/dbraw/zinc/52/83/61/570528361.db2.gz	GQILDAWOMUWCMP-FOKLQQMPSA-N	-1	0	362.360	4.871	40	30		FJEBRM
C=CCc1cc(/C=N\c2ccc(Cl)c(C(=O)[O-])c2)cc(OCC)c1O	ZINC000408851876	570692092	/nfs/dbraw/zinc/69/20/92/570692092.db2.gz	AYROVXXVVQSMKK-NHDPSOOVSA-N	-1	0	359.809	4.622	40	30		FJEBRM
Cc1cc(C=NNc2ccccc2)c(C)n1-c1ccc(C(=O)[O-])c(Cl)c1	ZINC000408851440	570692486	/nfs/dbraw/zinc/69/24/86/570692486.db2.gz	KADWNJQGUFXPLC-WSDLNYQXSA-N	-1	0	367.836	4.892	40	30		FJEBRM
Cc1cc(/C=N/c2cccnc2)c(C)n1-c1ccc(C(=O)[O-])c(Cl)c1	ZINC000408857542	570692859	/nfs/dbraw/zinc/69/28/59/570692859.db2.gz	ODAMLDUVBBVZBM-LSHDLFTRSA-N	-1	0	353.809	4.591	40	30		FJEBRM
O=C([O-])c1ccc(/N=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)cc1	ZINC000408914558	570698689	/nfs/dbraw/zinc/69/86/89/570698689.db2.gz	QQYQUJDPTWSKIV-JMIUGGIZSA-N	-1	0	370.748	4.957	40	30		FJEBRM
COc1ccc(Cl)cc1/N=C/c1cccn1-c1cccc(C(=O)[O-])c1	ZINC000409102147	570724315	/nfs/dbraw/zinc/72/43/15/570724315.db2.gz	CSMJSNMFATXLOW-CIAFOILYSA-N	-1	0	354.793	4.588	40	30		FJEBRM
Cc1cc(C(=O)[O-])ccc1NC=CC(=O)c1ccc(Cl)c(Cl)c1	ZINC000409181232	570736930	/nfs/dbraw/zinc/73/69/30/570736930.db2.gz	ZYKNFFVSTZTQBU-VOTSOKGWSA-N	-1	0	350.201	4.809	40	30		FJEBRM
O=C([O-])c1ccc(-n2cccc2/C=N\c2ccccc2Br)cc1	ZINC000409234020	570744627	/nfs/dbraw/zinc/74/46/27/570744627.db2.gz	XTIYYEFCLDGHKE-NDENLUEZSA-N	-1	0	369.218	4.689	40	30		FJEBRM
COc1ccc(/N=C/c2cccn2-c2ccc(C(=O)[O-])cc2)cc1Cl	ZINC000409244370	570746546	/nfs/dbraw/zinc/74/65/46/570746546.db2.gz	BOZMOIDCXYUNCG-CIAFOILYSA-N	-1	0	354.793	4.588	40	30		FJEBRM
COc1cc(/C=N\c2cccc(C)c2)ccc1OCc1ccc(C(=O)[O-])o1	ZINC000409387002	570756852	/nfs/dbraw/zinc/75/68/52/570756852.db2.gz	YLWFOUDKWJVIPC-UUYOSTAYSA-N	-1	0	365.385	4.624	40	30		FJEBRM
[O-]c1c(Br)cc(/C=N/c2ccccc2)cc1Br	ZINC000005600747	570777639	/nfs/dbraw/zinc/77/76/39/570777639.db2.gz	NVFJPUBLTPRTSL-LZYBPNLTSA-N	-1	0	355.029	4.668	40	30		FJEBRM
COc1ccccc1Oc1ccc(/N=C/c2cc([N+](=O)[O-])ccc2[O-])cc1	ZINC000017701129	571303809	/nfs/dbraw/zinc/30/38/09/571303809.db2.gz	OHCSIOGFRLWTDF-FYJGNVAPSA-N	-1	0	364.357	4.852	40	30		FJEBRM
CC(C)(C)[C@H]1CCc2c(C#N)c([N-]S(=O)(=O)c3ccccc3)sc2C1	ZINC000059413253	571306577	/nfs/dbraw/zinc/30/65/77/571306577.db2.gz	MXEKUBGRRDPKEO-ZDUSSCGKSA-N	-1	0	374.531	4.572	40	30		FJEBRM
C[C@@H](Oc1ccc(/C=N/N(c2ccccc2)c2ccccc2)cc1)C(=O)[O-]	ZINC000039557418	571310780	/nfs/dbraw/zinc/31/07/80/571310780.db2.gz	VJYGTMSMYDQFRP-BXDFRRGMSA-N	-1	0	360.413	4.711	40	30		FJEBRM
O=[N+]([O-])c1cc(Cl)cc(/C=N/c2ccc3c4c(cccc42)CC3)c1[O-]	ZINC000003096866	571344656	/nfs/dbraw/zinc/34/46/56/571344656.db2.gz	QCGJFXWJGURJPF-UFFVCSGVSA-N	-1	0	352.777	4.956	40	30		FJEBRM