smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1/C(=C/c2ccccc2O)SC(=S)N1/N=C/c1ccccc1[O-]	ZINC000016672838	494399032	/nfs/dbraw/zinc/39/90/32/494399032.db2.gz	NLNCJEQLEVFVPZ-PFVOVTSXSA-N	-1	3	356.428	3.333	40	30		FGEBHM
C=CCN1C(=O)S/C(=C/c2cc(Br)c([O-])c(OC)c2)C1=O	ZINC000409067683	499595870	/nfs/dbraw/zinc/59/58/70/499595870.db2.gz	QQZCEQOSEXWUER-YRNVUSSQSA-N	-1	3	370.224	3.386	40	30		FGEBHM
O=[N+]([O-])c1ccc(C=Nc2n[n-]c(N=Cc3ccc([N+](=O)[O-])cc3)n2)cc1	ZINC000104809814	206000834	/nfs/dbraw/zinc/00/08/34/206000834.db2.gz	ADRFRARFDFYSBF-BUOZRGFLSA-N	-1	3	365.309	3.122	40	30		FGEBHM
O=C1[N-]/C(=N\N=C\c2ccc(O)cc2)S[C@H]1Cc1cccc(Cl)c1	ZINC000057527549	206384895	/nfs/dbraw/zinc/38/48/95/206384895.db2.gz	QOHKNBZNNUXRQM-RPJLVFAOSA-N	-1	3	359.838	3.210	40	30		FGEBHM
O=C1CSC(=N/N=C/c2cccc(OCc3ccccc3Cl)c2)[N-]1	ZINC000409064666	499595730	/nfs/dbraw/zinc/59/57/30/499595730.db2.gz	FBNZGGLFBYJDOR-DJKKODMXSA-N	-1	3	359.838	3.472	40	30		FGEBHM
N#Cc1cnc([N-]c2cccc([C@@H]3CCCN3Cc3ccncc3)n2)s1	ZINC000585293042	507586078	/nfs/dbraw/zinc/58/60/78/507586078.db2.gz	CPTQPGGQJMLDCH-KRWDZBQOSA-N	-1	3	362.462	3.307	40	30		FGEBHM
CCOc1ccc(CN2C(=O)CS/C2=N\N=C\c2ccccc2[O-])cc1	ZINC000005718705	520966654	/nfs/dbraw/zinc/96/66/54/520966654.db2.gz	DEPMOHKPLVEUJH-YOPNLDQXSA-N	-1	3	369.446	3.256	40	30		FGEBHM
COc1cccc(C=NNc2cc(C)nc(-c3ccccc3[O-])n2)c1O	ZINC000036653061	525776171	/nfs/dbraw/zinc/77/61/71/525776171.db2.gz	NVWKNYCCCLJTGO-JAIQZWGSSA-N	-1	3	350.378	3.318	40	30		FGEBHM
CS(=O)(=O)[N-]c1ccc(Cl)c(C(=O)Nc2ccc(CC#N)cc2)c1	ZINC000038755281	205041602	/nfs/dbraw/zinc/04/16/02/205041602.db2.gz	XNVRAMCRQSHAGX-UHFFFAOYSA-N	-1	3	363.826	3.030	40	30		FGEBHM
Cc1cc(/C=N\c2ccccc2[O-])c(C)n1-c1ccc(S(N)(=O)=O)cc1	ZINC000408964987	570704160	/nfs/dbraw/zinc/70/41/60/570704160.db2.gz	FHLHJXABVQJYCL-MTJSOVHGSA-N	-1	3	369.446	3.198	40	30		FGEBHM
Cc1sc([N-]C(=S)NC(=O)c2ccccc2[N+](=O)[O-])c(C#N)c1C	ZINC000009140946	263360274	/nfs/dbraw/zinc/36/02/74/263360274.db2.gz	BNQVGMVBKJQPGF-UHFFFAOYSA-N	-1	3	360.420	3.272	40	30		FGEBHM
COc1ccccc1NC(=O)COc1c(Cl)cc(/C=N\[O-])cc1OC	ZINC000110126335	494950796	/nfs/dbraw/zinc/95/07/96/494950796.db2.gz	JWEAHXHNHUSMLS-OCKHKDLRSA-N	-1	3	364.785	3.183	40	30		FGEBHM
COc1cc(Br)c([O-])c(C=NNc2nc3ccccc3[nH]2)c1	ZINC000408590609	499592443	/nfs/dbraw/zinc/59/24/43/499592443.db2.gz	PWJXSIWZSDZOCJ-CAOOACKPSA-N	-1	3	361.199	3.486	40	30		FGEBHM
C=CCOc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)OC)c2)cc1	ZINC000223822878	519040691	/nfs/dbraw/zinc/04/06/91/519040691.db2.gz	UFWGLJCUXBTKKY-UHFFFAOYSA-N	-1	3	361.419	3.147	40	30		FGEBHM
[O-]C(PC([O-])(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F	ZINC000103660160	222341188	/nfs/dbraw/zinc/34/11/88/222341188.db2.gz	MSHVGWVGGYOOMV-UHFFFAOYSA-N	-1	3	366.038	3.291	40	30		FGEBHM
[O-]C(PC(O)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F	ZINC000103660160	222341191	/nfs/dbraw/zinc/34/11/91/222341191.db2.gz	MSHVGWVGGYOOMV-UHFFFAOYSA-N	-1	3	366.038	3.291	40	30		FGEBHM
[O-]c1ccc(/C=N\c2ccc3c(c2)OCO3)cc1I	ZINC000408961783	499595592	/nfs/dbraw/zinc/59/55/92/499595592.db2.gz	FASRGNCGNLJGAR-APSNUPSMSA-N	-1	3	367.142	3.476	40	30		FGEBHM
[O-]c1ccccc1/N=C\c1cc(Br)c(N2CCOCC2)o1	ZINC000408846956	570691598	/nfs/dbraw/zinc/69/15/98/570691598.db2.gz	OHMYWKOMWBFTPX-YVLHZVERSA-N	-1	3	351.200	3.335	40	30		FGEBHM
C=CCc1cc(/C=C2/SC([N-]C(C)=O)=NC2=O)cc(OCC)c1OCC	ZINC000409079785	570720752	/nfs/dbraw/zinc/72/07/52/570720752.db2.gz	LTDHMRUXJJGKCT-LFIBNONCSA-N	-1	3	374.462	3.319	40	30		FGEBHM
COc1ccc2c(c1)CCC(c1nc3cccc([N+](=O)[O-])c3[nH]c1=O)=C2[O-]	ZINC000017732220	494416665	/nfs/dbraw/zinc/41/66/65/494416665.db2.gz	MPYLKSRGURPQFD-SSZFMOIBSA-N	-1	3	365.345	3.051	40	30		FGEBHM
N#CC=C([O-])c1ccc(I)c(F)c1Br	ZINC000098210950	495062697	/nfs/dbraw/zinc/06/26/97/495062697.db2.gz	AARNULBODOCCGB-UHFFFAOYSA-N	-1	3	367.943	3.289	40	30		FGEBHM
CC(=O)Oc1ccc([O-])c2c1C(=O)C(Cl)=C(Nc1ccccc1)C2=O	ZINC000100251657	495064320	/nfs/dbraw/zinc/06/43/20/495064320.db2.gz	VCYFSQPHNSHVEN-UHFFFAOYSA-N	-1	3	357.749	3.259	40	30		FGEBHM
C=CCOc1c(Cl)cc(/C=C2\SC([N-]C(C)=O)=NC2=O)cc1OC	ZINC000409026412	570714351	/nfs/dbraw/zinc/71/43/51/570714351.db2.gz	OIXQJRVZAMSQMH-JYRVWZFOSA-N	-1	3	366.826	3.020	40	30		FGEBHM
CN1C(=O)c2ccc(/N=C/c3cc(Br)ccc3[O-])cc2C1=O	ZINC000002774626	493819173	/nfs/dbraw/zinc/81/91/73/493819173.db2.gz	OCVUEMJXDWHDOA-QGMBQPNBSA-N	-1	3	359.179	3.131	40	30		FGEBHM
Cn1ccnc1CN1CCC[C@H]1c1csc([N-]c2cc(C#N)ccn2)n1	ZINC000585294826	507587525	/nfs/dbraw/zinc/58/75/25/507587525.db2.gz	KQNWSCDBLPPEKH-HNNXBMFYSA-N	-1	3	365.466	3.224	40	30		FGEBHM
COc1cc(CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc(Cl)c1[O-]	ZINC000408946526	570702124	/nfs/dbraw/zinc/70/21/24/570702124.db2.gz	YVSGTCOPVGBOQM-APSNUPSMSA-N	-1	3	366.717	3.317	40	30		FGEBHM
COc1ccc(/C=C2/S/C(=N/c3cccc([O-])c3)NC2=O)cc1OC	ZINC000011847385	207326549	/nfs/dbraw/zinc/32/65/49/207326549.db2.gz	ZPPOWUWUMGADQF-CXUHLZMHSA-N	-1	3	356.403	3.301	40	30		FGEBHM
CCCOc1ccc(/C=N/NC(=S)NCCc2ccccc2)c([O-])c1	ZINC000003438147	493845277	/nfs/dbraw/zinc/84/52/77/493845277.db2.gz	XKSPFFALLOMKEC-KGENOOAVSA-N	-1	3	357.479	3.222	40	30		FGEBHM
N#CC1=C([O-])NC(N2CCC(Cc3ccccc3)CC2)=NC12CCCCC2	ZINC000014163029	494306939	/nfs/dbraw/zinc/30/69/39/494306939.db2.gz	NONZYIQPTJFKFK-IBGZPJMESA-N	-1	3	364.493	3.270	40	30		FGEBHM
C=CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)c(Cl)c1	ZINC000044884995	494385766	/nfs/dbraw/zinc/38/57/66/494385766.db2.gz	YPKYDJUMSCLZEV-UHFFFAOYSA-N	-1	3	364.854	3.365	40	30		FGEBHM
[O-]C(CCC([O-])(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F	ZINC000104219285	209260205	/nfs/dbraw/zinc/26/02/05/209260205.db2.gz	WXKKSHCCJRPPMA-UHFFFAOYSA-N	-1	3	362.110	3.478	40	30		FGEBHM
[O-]C(CCC(O)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F	ZINC000104219285	209260208	/nfs/dbraw/zinc/26/02/08/209260208.db2.gz	WXKKSHCCJRPPMA-UHFFFAOYSA-N	-1	3	362.110	3.478	40	30		FGEBHM
COC(=O)C12c3ccccc3C(c3ccccc31)C1=C2/C(=N/O)C=C/C1=N\[O-]	ZINC000104138805	209257594	/nfs/dbraw/zinc/25/75/94/209257594.db2.gz	COGVHCBSLOMBFL-WPHIWBHXSA-N	-1	3	372.380	3.131	40	30		FGEBHM
COC(=O)C12c3ccccc3C(c3ccccc31)C1=C2/C(=N/[O-])C=C/C1=N\O	ZINC000104138805	209257595	/nfs/dbraw/zinc/25/75/95/209257595.db2.gz	COGVHCBSLOMBFL-WPHIWBHXSA-N	-1	3	372.380	3.131	40	30		FGEBHM
O=c1c2cn[nH]c2[n-]c(Nc2ccccc2)c1N=Cc1ccc([N+](=O)[O-])cc1	ZINC000102986204	209245153	/nfs/dbraw/zinc/24/51/53/209245153.db2.gz	GHXSOKVBPRVLBQ-UWSDUSPXSA-N	-1	3	374.360	3.144	40	30		FGEBHM
O=C1c2cn[n-]c2N=C(Nc2ccccc2)[C@H]1N=Cc1ccc([N+](=O)[O-])cc1	ZINC000102986204	209245155	/nfs/dbraw/zinc/24/51/55/209245155.db2.gz	GHXSOKVBPRVLBQ-UWSDUSPXSA-N	-1	3	374.360	3.144	40	30		FGEBHM
COc1ccc([C@@H]2C(=C(C)[O-])C(=O)C(=O)N2c2ccccc2OC)cc1	ZINC000066091546	494275312	/nfs/dbraw/zinc/27/53/12/494275312.db2.gz	MTOYTMBGKOEARK-GOSISDBHSA-N	-1	3	353.374	3.193	40	30		FGEBHM
O=c1nc(NN=Cc2ccccc2[O-])n(-c2ccccc2)c2ccccc12	ZINC000408730448	499594531	/nfs/dbraw/zinc/59/45/31/499594531.db2.gz	GKFGQXBVNCFOAW-HYARGMPZSA-N	-1	3	356.385	3.372	40	30		FGEBHM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]/N=C\c2cccc3ccccc23)cc1	ZINC000008603196	207237434	/nfs/dbraw/zinc/23/74/34/207237434.db2.gz	DFHXBZFYJLGTFU-PDGQHHTCSA-N	-1	3	355.375	3.060	40	30		FGEBHM
CC(C)=CC[C@H](OC(=O)C(C)C)C1=CC(=O)c2c(O)ccc([O-])c2C1=O	ZINC000005452635	493931270	/nfs/dbraw/zinc/93/12/70/493931270.db2.gz	BVRYLTBIGIAADD-INIZCTEOSA-N	-1	3	358.390	3.327	40	30	biogenic,in-vitro	FGEBHM
CC(C)=CC[C@H](OC(=O)C(C)C)C1=CC(=O)c2c([O-])ccc(O)c2C1=O	ZINC000005452635	493931275	/nfs/dbraw/zinc/93/12/75/493931275.db2.gz	BVRYLTBIGIAADD-INIZCTEOSA-N	-1	3	358.390	3.327	40	30	biogenic,in-vitro	FGEBHM
[O-]c1cccc(/N=C\c2cc(Br)c(N3CCOCC3)o2)c1	ZINC000408860054	570693290	/nfs/dbraw/zinc/69/32/90/570693290.db2.gz	XOHXNTFQKVBIRY-YVLHZVERSA-N	-1	3	351.200	3.335	40	30		FGEBHM
CS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccc(CC#N)cc2)c(Cl)c1	ZINC000216303743	496988518	/nfs/dbraw/zinc/98/85/18/496988518.db2.gz	MQUMGHKGFIYMNO-UHFFFAOYSA-N	-1	3	363.826	3.030	40	30		FGEBHM
C=CCn1c(Sc2ccc([N+](=O)[O-])cn2)nnc1-c1ccccc1[O-]	ZINC000408603365	499592929	/nfs/dbraw/zinc/59/29/29/499592929.db2.gz	GCQAWKYVMIRIQX-UHFFFAOYSA-N	-1	3	355.379	3.291	40	30		FGEBHM
CCOc1cc(/C=C2/S/C(=N/C)N(C)C2=O)cc(Br)c1[O-]	ZINC000408929706	570700353	/nfs/dbraw/zinc/70/03/53/570700353.db2.gz	MTQUGKHTQRWEFR-KTWKVWFASA-N	-1	3	371.256	3.085	40	30		FGEBHM
N#CC1=C([O-])NC(N2CCC(Cc3ccccc3)CC2)=NC12CCCCC2	ZINC000014163025	494306624	/nfs/dbraw/zinc/30/66/24/494306624.db2.gz	NONZYIQPTJFKFK-LJQANCHMSA-N	-1	3	364.493	3.270	40	30		FGEBHM
O=C1[N-]c2c(cc(F)cc2F)C1=NNc1ccc(Br)cc1	ZINC000223750673	527087335	/nfs/dbraw/zinc/08/73/35/527087335.db2.gz	RRALMMMKHSFBON-UHFFFAOYSA-N	-1	3	352.138	3.496	40	30		FGEBHM
Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccccc1[O-]	ZINC000409280033	570748043	/nfs/dbraw/zinc/74/80/43/570748043.db2.gz	JDROOJCCRCSPKG-UHFFFAOYSA-N	-1	3	358.195	3.055	40	30		FGEBHM
COc1ccccc1CN/N=C/c1cc(Br)c([O-])c(OC)c1	ZINC000020761426	263381472	/nfs/dbraw/zinc/38/14/72/263381472.db2.gz	ABOSHBNQMHLSSQ-GIJQJNRQSA-N	-1	3	365.227	3.296	40	30		FGEBHM
N#C[C@H](c1nc2ccccc2s1)[C@H](c1ccccc1)n1[n-]c(=O)cc1N	ZINC000137090147	495422929	/nfs/dbraw/zinc/42/29/29/495422929.db2.gz	KDYAKARYKLSQMC-UGSOOPFHSA-N	-1	3	361.430	3.359	40	30		FGEBHM
C/C(=N\[O-])c1ccc(OCCSc2nnnn2-c2ccccc2)cc1	ZINC000005447080	518468240	/nfs/dbraw/zinc/46/82/40/518468240.db2.gz	AYYLWSKEMAFQBJ-CPNJWEJPSA-N	-1	3	355.423	3.032	40	30		FGEBHM
COc1ccc(/N=C\c2ccc([O-])c(I)c2)cn1	ZINC000408905010	570696608	/nfs/dbraw/zinc/69/66/08/570696608.db2.gz	RXKYUPGZTCXOPS-CHHVJCJISA-N	-1	3	354.147	3.151	40	30		FGEBHM
CN(C)Cc1cc(C(=O)/C=C/c2ccc(O)cc2)cc(CN(C)C)c1[O-]	ZINC000016958867	211172965	/nfs/dbraw/zinc/17/29/65/211172965.db2.gz	GENGBDBCCZWCCY-JXMROGBWSA-N	-1	3	354.450	3.117	40	30		FGEBHM
C/C(=N/N=C1\SC(CC(=O)[O-])C(=O)N1c1ccc(C)cc1)c1ccco1	ZINC000059475400	493906122	/nfs/dbraw/zinc/90/61/22/493906122.db2.gz	RXCZHQWJTMSQBB-SDZGWXOHSA-N	-1	3	371.418	3.291	40	30		FGEBHM
C=CCOc1ccc(NC(=O)c2ccc([N-]S(C)(=O)=O)c(C)c2)cc1	ZINC000010370833	494152428	/nfs/dbraw/zinc/15/24/28/494152428.db2.gz	JXBILGAVYDZRIN-UHFFFAOYSA-N	-1	3	360.435	3.184	40	30		FGEBHM
C=CCc1cccc(C[N@@H+]2CCc3nc(-c4cccnc4)[n-]c(=O)c3C2)c1[O-]	ZINC000012122218	210139134	/nfs/dbraw/zinc/13/91/34/210139134.db2.gz	CUDHYDAACPJQJM-UHFFFAOYSA-N	-1	3	374.444	3.237	40	30		FGEBHM
C=CCc1cccc(C[N@H+]2CCc3nc(-c4cccnc4)[n-]c(=O)c3C2)c1[O-]	ZINC000012122218	210139136	/nfs/dbraw/zinc/13/91/36/210139136.db2.gz	CUDHYDAACPJQJM-UHFFFAOYSA-N	-1	3	374.444	3.237	40	30		FGEBHM
CCCCCCCCCCS(=O)(=O)[N-]/N=C1/c2ccccc2NC1=O	ZINC000100945885	495066998	/nfs/dbraw/zinc/06/69/98/495066998.db2.gz	RIBOUKWJAMGFPQ-UHFFFAOYSA-N	-1	3	365.499	3.403	40	30		FGEBHM
C=CCOc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)CC)cc2)cc1	ZINC000020062742	519039714	/nfs/dbraw/zinc/03/97/14/519039714.db2.gz	UHJHOTVOPZTAFM-UHFFFAOYSA-N	-1	3	360.435	3.265	40	30		FGEBHM
C#CCOc1c(Cl)cc(Cl)cc1/C=C1/SC([N-]C(C)=O)=NC1=O	ZINC000409080570	570719966	/nfs/dbraw/zinc/71/99/66/570719966.db2.gz	LRJWSNMGQFWQIE-WUXMJOGZSA-N	-1	3	369.229	3.112	40	30		FGEBHM
C/C(=N/N=C1\SC(CC(=O)[O-])C(=O)N1c1ccc(C)cc1)c1ccco1	ZINC000059475399	493906626	/nfs/dbraw/zinc/90/66/26/493906626.db2.gz	RXCZHQWJTMSQBB-HNVGSXOXSA-N	-1	3	371.418	3.291	40	30		FGEBHM
O=C1c2cc(NC(=N[O-])C(F)(F)F)ccc2-c2ccc([N+](=O)[O-])cc21	ZINC000017421956	211186811	/nfs/dbraw/zinc/18/68/11/211186811.db2.gz	YYMPJHWWVXLTOM-UHFFFAOYSA-N	-1	3	351.240	3.377	40	30		FGEBHM
O=C(COc1ccc(/C=N\[O-])cc1Br)Nc1ccccc1F	ZINC000108203231	494661815	/nfs/dbraw/zinc/66/18/15/494661815.db2.gz	CUMMVIZEYDBPGJ-LSCVHKIXSA-N	-1	3	367.174	3.414	40	30		FGEBHM
COc1c2c(cc3c1[C@@H](C/C(=N/[O-])c1ccccc1)N(C)CC3)OCO2	ZINC000110281297	494964987	/nfs/dbraw/zinc/96/49/87/494964987.db2.gz	FBWKJYJCSSZORR-KQRQPNSISA-N	-1	3	354.406	3.222	40	30		FGEBHM
COc1cc(/C=N\[O-])cc(Cl)c1OCC(=O)Nc1ccccc1F	ZINC000409369350	570753840	/nfs/dbraw/zinc/75/38/40/570753840.db2.gz	BHXDFUMDISCWCO-UWVJOHFNSA-N	-1	3	352.749	3.313	40	30		FGEBHM
COc1ccccc1N1C(=O)C([O-])=C(C(C)=O)[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000066091544	221240089	/nfs/dbraw/zinc/24/00/89/221240089.db2.gz	MVNZVVVCBUYJBQ-QGZVFWFLSA-N	-1	3	368.345	3.092	40	30		FGEBHM
COc1ccccc1N1C(=O)C(=O)C(=C(C)[O-])[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000066091544	221240092	/nfs/dbraw/zinc/24/00/92/221240092.db2.gz	MVNZVVVCBUYJBQ-QGZVFWFLSA-N	-1	3	368.345	3.092	40	30		FGEBHM
COc1ccc(/C=C\C(=O)c2cc(CN(C)C)c([O-])c(CN(C)C)c2)cc1	ZINC000031870593	263392143	/nfs/dbraw/zinc/39/21/43/263392143.db2.gz	OUMJUOPWDZWILS-FLIBITNWSA-N	-1	3	368.477	3.420	40	30		FGEBHM
CC(=O)c1nn(-c2ccccc2Cl)/c(=N/N=C/c2ccc([O-])cc2)s1	ZINC000005726503	493940200	/nfs/dbraw/zinc/94/02/00/493940200.db2.gz	PBEBAMXVVKIOCB-HCDAPJTOSA-N	-1	3	372.837	3.430	40	30		FGEBHM
COc1cc(/C=N\[O-])cc(Cl)c1OCC(=O)Nc1ccc(F)cc1	ZINC000106498410	495459067	/nfs/dbraw/zinc/45/90/67/495459067.db2.gz	ALOYVLCVDUJCRB-UWVJOHFNSA-N	-1	3	352.749	3.313	40	30		FGEBHM
COc1cc(/C=N\N2CCCCCC2)cc(I)c1[O-]	ZINC000104052537	222349181	/nfs/dbraw/zinc/34/91/81/222349181.db2.gz	WLMNJVKGNSNJKW-YBEGLDIGSA-N	-1	3	374.222	3.215	40	30		FGEBHM
O=C1[N-]/C(=N\N=C/c2ccco2)S[C@H]1Cc1cccc(C(F)(F)F)c1	ZINC000019855610	220301804	/nfs/dbraw/zinc/30/18/04/220301804.db2.gz	IDKIWPXVDZEQTI-CCSWUNFSSA-N	-1	3	367.352	3.463	40	30		FGEBHM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]/N=C/c2cccc3ccccc23)cc1	ZINC000001871129	493798808	/nfs/dbraw/zinc/79/88/08/493798808.db2.gz	DFHXBZFYJLGTFU-LDADJPATSA-N	-1	3	355.375	3.060	40	30		FGEBHM
O=c1c2ccccc2nc(-c2ccccc2)n1/N=C/c1ccc(O)cc1[O-]	ZINC000005668003	493939473	/nfs/dbraw/zinc/93/94/73/493939473.db2.gz	QFLRQIULGJWCJA-LPYMAVHISA-N	-1	3	357.369	3.357	40	30		FGEBHM
CC(=O)c1nn(-c2ccc(Cl)cc2)/c(=N/N=C/c2ccc([O-])cc2)s1	ZINC000005726500	493940844	/nfs/dbraw/zinc/94/08/44/493940844.db2.gz	JEBUQXQBFIVOLR-HCDAPJTOSA-N	-1	3	372.837	3.430	40	30		FGEBHM
C=CCOc1ccccc1CN1CCc2nc(-c3ccccn3)[n-]c(=O)c2C1	ZINC000072339894	494153772	/nfs/dbraw/zinc/15/37/72/494153772.db2.gz	DFWWOUFRSHEOPQ-UHFFFAOYSA-N	-1	3	374.444	3.367	40	30		FGEBHM
Cc1ccc(NC(=N)Nc2nc(-c3ccccc3)cc(=O)[n-]2)cc1Cl	ZINC000013634096	220080922	/nfs/dbraw/zinc/08/09/22/220080922.db2.gz	DQSVWRSGACHYMI-UHFFFAOYSA-N	-1	3	353.813	3.457	40	30		FGEBHM
CCOC(=O)c1sc([N-]C(=O)c2ccc(C#N)cc2F)c(C#N)c1C	ZINC000009142083	263360398	/nfs/dbraw/zinc/36/03/98/263360398.db2.gz	WGBAZWJDXGZVPC-UHFFFAOYSA-N	-1	3	357.366	3.368	40	30		FGEBHM
COc1ccc(/N=C2/SC(CC(=O)[O-])C(=O)N2c2ccccc2)cc1	ZINC000005513500	493933268	/nfs/dbraw/zinc/93/32/68/493933268.db2.gz	AOCGSBJUHTZSIB-AMGRQBIBSA-N	-1	3	356.403	3.306	40	30		FGEBHM
C=CCc1cc(/C=C2/SC([N-]C(C)=O)=NC2=O)cc(OC)c1OCCC	ZINC000409082017	570720275	/nfs/dbraw/zinc/72/02/75/570720275.db2.gz	RIKKCIIUQSVNGM-LFIBNONCSA-N	-1	3	374.462	3.319	40	30		FGEBHM
Cn1ccnc1CN1CCC[C@@H]1c1csc([N-]c2cc(C#N)ccn2)n1	ZINC000585294827	507588039	/nfs/dbraw/zinc/58/80/39/507588039.db2.gz	KQNWSCDBLPPEKH-OAHLLOKOSA-N	-1	3	365.466	3.224	40	30		FGEBHM
O=C(Nc1ccccc1)C(Br)=N[N-]c1ccc([N+](=O)[O-])cc1	ZINC000022130348	220377337	/nfs/dbraw/zinc/37/73/37/220377337.db2.gz	QYCDUIDTGPXYGM-QGOAFFKASA-N	-1	3	363.171	3.354	40	30		FGEBHM
COc1ccc2c(c1)CCC(c1nc3cccc([N+](=O)[O-])c3[nH]c1=O)=C2[O-]	ZINC000104238288	222354201	/nfs/dbraw/zinc/35/42/01/222354201.db2.gz	MPYLKSRGURPQFD-DTQAZKPQSA-N	-1	3	365.345	3.051	40	30		FGEBHM
CCOC(=O)c1sc([N-]C(=O)c2ccc([N+](=O)[O-])cc2)c(C#N)c1C	ZINC000001965030	493800624	/nfs/dbraw/zinc/80/06/24/493800624.db2.gz	RFVUVUOQZFAXHN-UHFFFAOYSA-N	-1	3	359.363	3.265	40	30		FGEBHM
COc1cc(C=NNc2nc3ccccc3[nH]2)cc(Br)c1[O-]	ZINC000004149545	206236058	/nfs/dbraw/zinc/23/60/58/206236058.db2.gz	JJNQFRKBBCFVRC-CAOOACKPSA-N	-1	3	361.199	3.486	40	30		FGEBHM
[O-]/N=C\c1ccc(OCc2cccnc2)c(I)c1	ZINC000216844426	496992366	/nfs/dbraw/zinc/99/23/66/496992366.db2.gz	JAVHSYQNDNJVBP-PXNMLYILSA-N	-1	3	354.147	3.073	40	30		FGEBHM
C/C(=N/[O-])c1ccc(OCCSc2nnnn2-c2ccccc2)cc1	ZINC000102944603	518455568	/nfs/dbraw/zinc/45/55/68/518455568.db2.gz	AYYLWSKEMAFQBJ-UYRXBGFRSA-N	-1	3	355.423	3.032	40	30		FGEBHM
COc1cc(/C=N/N2CCCCCC2)cc(I)c1[O-]	ZINC000001631177	521986744	/nfs/dbraw/zinc/98/67/44/521986744.db2.gz	WLMNJVKGNSNJKW-MHWRWJLKSA-N	-1	3	374.222	3.215	40	30		FGEBHM
O=C1CS/C(=N\N=C\c2ccc(-c3ccc([N+](=O)[O-])c(Cl)c3)o2)[N-]1	ZINC000005891133	204229853	/nfs/dbraw/zinc/22/98/53/204229853.db2.gz	VVCCUBVCJLLBPX-OMCISZLKSA-N	-1	3	364.770	3.061	40	30		FGEBHM
N#Cc1ccc(Cl)cc1NC(=O)CSc1n[n-]c(-c2ccccn2)n1	ZINC000071834813	494104296	/nfs/dbraw/zinc/10/42/96/494104296.db2.gz	RRCQRDMVMZKZKC-UHFFFAOYSA-N	-1	3	370.825	3.123	40	30		FGEBHM
C=CCOc1cccc(NC(=O)c2ccc([N-]S(C)(=O)=O)c(C)c2)c1	ZINC000010362456	494151335	/nfs/dbraw/zinc/15/13/35/494151335.db2.gz	FLMGPQACPYCJOR-UHFFFAOYSA-N	-1	3	360.435	3.184	40	30		FGEBHM
[O-]c1ccc(Br)cc1/C=N\N1CCN(Cc2ccccc2)CC1	ZINC000015938939	494372992	/nfs/dbraw/zinc/37/29/92/494372992.db2.gz	AOWZKTAGLHAXBR-MOSHPQCFSA-N	-1	3	374.282	3.306	40	30		FGEBHM
N#C[C@H](c1nc2ccccc2s1)[C@@H](c1ccccc1)n1[n-]c(=O)cc1N	ZINC000137090196	206133281	/nfs/dbraw/zinc/13/32/81/206133281.db2.gz	KDYAKARYKLSQMC-SCLBCKFNSA-N	-1	3	361.430	3.359	40	30		FGEBHM
COc1c2c(cc3c1[C@H](C/C(=N\[O-])c1ccccc1)N(C)CC3)OCO2	ZINC000020112935	206330021	/nfs/dbraw/zinc/33/00/21/206330021.db2.gz	FBWKJYJCSSZORR-WASCAKKMSA-N	-1	3	354.406	3.222	40	30		FGEBHM
O=C1[N-]/C(=N\N=C\c2ccc(O)cc2)S[C@@H]1Cc1cccc(Cl)c1	ZINC000057527544	206384989	/nfs/dbraw/zinc/38/49/89/206384989.db2.gz	QOHKNBZNNUXRQM-GDXCHIGESA-N	-1	3	359.838	3.210	40	30		FGEBHM
O=C1/C(=C\c2ccccc2O)SC(=S)N1/N=C/c1ccccc1[O-]	ZINC000002798708	493820013	/nfs/dbraw/zinc/82/00/13/493820013.db2.gz	NLNCJEQLEVFVPZ-HJSNDYAYSA-N	-1	3	356.428	3.333	40	30		FGEBHM
O=C1CS/C(=N/N=C/c2cccc(OCc3ccc(Cl)cc3)c2)[N-]1	ZINC000059105561	493902207	/nfs/dbraw/zinc/90/22/07/493902207.db2.gz	GCEGTSVZBIYQRQ-DJKKODMXSA-N	-1	3	359.838	3.472	40	30		FGEBHM
C=CC(=O)O[C@H](C1=CC(=O)c2c(O)ccc([O-])c2C1=O)C(C)(C)C=C(C)C	ZINC000095868146	494990628	/nfs/dbraw/zinc/99/06/28/494990628.db2.gz	PKTWFAFZWVRLPK-HXUWFJFHSA-N	-1	3	370.401	3.493	40	30		FGEBHM
C=CC(=O)O[C@H](C1=CC(=O)c2c([O-])ccc(O)c2C1=O)C(C)(C)C=C(C)C	ZINC000095868146	494990630	/nfs/dbraw/zinc/99/06/30/494990630.db2.gz	PKTWFAFZWVRLPK-HXUWFJFHSA-N	-1	3	370.401	3.493	40	30		FGEBHM
CCOC(=O)c1ccc(N2C(=O)C([O-])=C(C(C)=O)[C@@H]2c2cccs2)cc1	ZINC000000808056	206134639	/nfs/dbraw/zinc/13/46/39/206134639.db2.gz	WFDVLWCYVHMLQD-INIZCTEOSA-N	-1	3	371.414	3.414	40	30		FGEBHM
CCOC(=O)c1ccc(N2C(=O)C(=O)C(=C(C)[O-])[C@@H]2c2cccs2)cc1	ZINC000000808056	206134642	/nfs/dbraw/zinc/13/46/42/206134642.db2.gz	WFDVLWCYVHMLQD-INIZCTEOSA-N	-1	3	371.414	3.414	40	30		FGEBHM
Cc1sc([N-]C(=S)NC(=O)c2ccc3c(c2)OCCO3)c(C#N)c1C	ZINC000408626339	499593394	/nfs/dbraw/zinc/59/33/94/499593394.db2.gz	GOUOOJTWJKBOGC-UHFFFAOYSA-N	-1	3	373.459	3.135	40	30		FGEBHM
COc1ccc(/C=C/C(=O)c2cc(CN(C)C)c([O-])c(CN(C)C)c2)cc1	ZINC000006374819	204245769	/nfs/dbraw/zinc/24/57/69/204245769.db2.gz	OUMJUOPWDZWILS-DHZHZOJOSA-N	-1	3	368.477	3.420	40	30		FGEBHM
COc1c2c(cc3c1[C@@H](C/C(=N\[O-])c1ccccc1)N(C)CC3)OCO2	ZINC000043737521	206061504	/nfs/dbraw/zinc/06/15/04/206061504.db2.gz	FBWKJYJCSSZORR-GXPOEHQZSA-N	-1	3	354.406	3.222	40	30		FGEBHM
O=C(Nc1ccccc1)C(Br)=N[N-]c1ccc([N+](=O)[O-])cc1	ZINC000111283110	495058222	/nfs/dbraw/zinc/05/82/22/495058222.db2.gz	QYCDUIDTGPXYGM-AQTBWJFISA-N	-1	3	363.171	3.354	40	30		FGEBHM
O=c1nc(NN=Cc2cccc([O-])c2)n(-c2ccccc2)c2ccccc12	ZINC000408733009	499594596	/nfs/dbraw/zinc/59/45/96/499594596.db2.gz	VAEGKAGOJZNGAI-HYARGMPZSA-N	-1	3	356.385	3.372	40	30		FGEBHM
COc1ccc(CN/N=C/c2cc(Cl)c([O-])c(OC)c2)cc1OC	ZINC000020195753	524017827	/nfs/dbraw/zinc/01/78/27/524017827.db2.gz	OXAHNFZKUCPTFQ-KEBDBYFISA-N	-1	3	350.802	3.195	40	30		FGEBHM
C=CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1	ZINC000020450687	494473420	/nfs/dbraw/zinc/47/34/20/494473420.db2.gz	SDOLRCIUVGSQIV-UHFFFAOYSA-N	-1	3	350.827	3.057	40	30		FGEBHM
C=CCOc1c(CC=C)cc(/C=C2/SC([N-]C(C)=O)=NC2=O)cc1OC	ZINC000409079324	570720606	/nfs/dbraw/zinc/72/06/06/570720606.db2.gz	JJPNZJBENHRJCF-LFIBNONCSA-N	-1	3	372.446	3.095	40	30		FGEBHM
C=CCOc1ccc([N-]S(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1	ZINC000044900008	519041823	/nfs/dbraw/zinc/04/18/23/519041823.db2.gz	LKISEBVMEVJEBX-UHFFFAOYSA-N	-1	3	372.446	3.179	40	30		FGEBHM
O=c1c2cn[nH]c2[n-]c(Nc2ccccc2)c1N=Cc1ccc([N+](=O)[O-])cc1	ZINC000102986206	209245357	/nfs/dbraw/zinc/24/53/57/209245357.db2.gz	GHXSOKVBPRVLBQ-OVEPSTSESA-N	-1	3	374.360	3.144	40	30		FGEBHM
O=C1c2cn[n-]c2N=C(Nc2ccccc2)[C@@H]1N=Cc1ccc([N+](=O)[O-])cc1	ZINC000102986206	209245360	/nfs/dbraw/zinc/24/53/60/209245360.db2.gz	GHXSOKVBPRVLBQ-OVEPSTSESA-N	-1	3	374.360	3.144	40	30		FGEBHM
N#C[C@@H](c1nc2ccccc2s1)[C@@H](c1ccccc1)n1[n-]c(=O)cc1N	ZINC000004538956	207027052	/nfs/dbraw/zinc/02/70/52/207027052.db2.gz	KDYAKARYKLSQMC-FZKQIMNGSA-N	-1	3	361.430	3.359	40	30		FGEBHM
COc1cc(C=NNc2ccccc2)cc(I)c1[O-]	ZINC000058625242	493871390	/nfs/dbraw/zinc/87/13/90/493871390.db2.gz	ALZXJJMFXJHPAP-CXUHLZMHSA-N	-1	3	368.174	3.451	40	30		FGEBHM
COC(=O)C12c3ccccc3C(c3ccccc31)C1=C2/C(=N/O)C=C/C1=N/[O-]	ZINC000016979292	494405006	/nfs/dbraw/zinc/40/50/06/494405006.db2.gz	COGVHCBSLOMBFL-JVBWRSBESA-N	-1	3	372.380	3.131	40	30		FGEBHM
COC(=O)C12c3ccccc3C(c3ccccc31)C1=C2/C(=N/[O-])C=C/C1=N/O	ZINC000016979292	494405008	/nfs/dbraw/zinc/40/50/08/494405008.db2.gz	COGVHCBSLOMBFL-JVBWRSBESA-N	-1	3	372.380	3.131	40	30		FGEBHM
CCNc1nc(N=NC(C)c2ccc3ccccc3c2[O-])nc(NCC)n1	ZINC000102420004	209236322	/nfs/dbraw/zinc/23/63/22/209236322.db2.gz	UIGLYIXYXVEDSH-BRJLIKDPSA-N	-1	3	365.441	3.430	40	30		FGEBHM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]/N=C\c2ccc(Cl)c(Cl)c2)cc1	ZINC000031623579	208014492	/nfs/dbraw/zinc/01/44/92/208014492.db2.gz	RQUCMIANFRTAJB-PXNMLYILSA-N	-1	3	374.205	3.214	40	30		FGEBHM
N#Cc1cnc([N-]c2cccc([C@H]3CCCN3Cc3ccncc3)n2)s1	ZINC000585293043	507585500	/nfs/dbraw/zinc/58/55/00/507585500.db2.gz	CPTQPGGQJMLDCH-QGZVFWFLSA-N	-1	3	362.462	3.307	40	30		FGEBHM
O=C1CSC(=N/N=C/c2ccc(-c3cc(Cl)ccc3[N+](=O)[O-])o2)[N-]1	ZINC000408973219	570705472	/nfs/dbraw/zinc/70/54/72/570705472.db2.gz	KNUURICYZUHIBG-OMCISZLKSA-N	-1	3	364.770	3.061	40	30		FGEBHM
N#Cc1nc(C=C([O-])c2ccccc2)c(CC(=O)c2ccccc2)nc1C#N	ZINC000001588971	493796732	/nfs/dbraw/zinc/79/67/32/493796732.db2.gz	MGXTZENGXJVWNL-UHFFFAOYSA-N	-1	3	366.380	3.071	40	30		FGEBHM
C=CCn1c(Sc2ncccc2[N+](=O)[O-])nnc1-c1ccccc1[O-]	ZINC000408602578	499592690	/nfs/dbraw/zinc/59/26/90/499592690.db2.gz	CSRDVFRYWYNJJJ-UHFFFAOYSA-N	-1	3	355.379	3.291	40	30		FGEBHM
CS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccc(CC#N)cc2)cc1Cl	ZINC000044847996	494384188	/nfs/dbraw/zinc/38/41/88/494384188.db2.gz	NHVCOFVNDBTWBV-UHFFFAOYSA-N	-1	3	363.826	3.030	40	30		FGEBHM
O=C([N-]c1nnc(-c2ccccc2[N+](=O)[O-])o1)c1ccc([N+](=O)[O-])cc1	ZINC000020496219	494474424	/nfs/dbraw/zinc/47/44/24/494474424.db2.gz	PKWSBKTZLYLJFL-UHFFFAOYSA-N	-1	3	355.266	3.189	40	30		FGEBHM
O=C1[N-]/C(=N\N=C/c2ccco2)S[C@@H]1Cc1cccc(C(F)(F)F)c1	ZINC000019855612	494462514	/nfs/dbraw/zinc/46/25/14/494462514.db2.gz	IDKIWPXVDZEQTI-HHGUGQKFSA-N	-1	3	367.352	3.463	40	30		FGEBHM
O=C([N-]c1nnc(-c2cccc([N+](=O)[O-])c2)o1)c1ccc([N+](=O)[O-])cc1	ZINC000020496147	494474371	/nfs/dbraw/zinc/47/43/71/494474371.db2.gz	BUVGFFWQGHOHGU-UHFFFAOYSA-N	-1	3	355.266	3.189	40	30		FGEBHM
[O-]c1csc(NN=Cc2ccccc2OCc2ccccc2Cl)n1	ZINC000059482991	493906816	/nfs/dbraw/zinc/90/68/16/493906816.db2.gz	SMJYMHZIXMNJOC-DJKKODMXSA-N	-1	3	359.838	3.472	40	30		FGEBHM
COc1c2c(cc3c1[C@H](C/C(=N/[O-])c1ccccc1)N(C)CC3)OCO2	ZINC000012660681	220016578	/nfs/dbraw/zinc/01/65/78/220016578.db2.gz	FBWKJYJCSSZORR-NOEYKIMYSA-N	-1	3	354.406	3.222	40	30		FGEBHM
CCOc1cc(-c2cccnc2)nc(SCC(=O)C=C(C)[O-])c1C#N	ZINC000101668980	222280433	/nfs/dbraw/zinc/28/04/33/222280433.db2.gz	OODHUDLTSFUZEN-UHFFFAOYSA-N	-1	3	355.419	3.054	40	30		FGEBHM
CC(C)=CC[C@@H](OC(=O)C(C)C)C1=CC(=O)c2c(O)ccc([O-])c2C1=O	ZINC000001702730	493797841	/nfs/dbraw/zinc/79/78/41/493797841.db2.gz	BVRYLTBIGIAADD-MRXNPFEDSA-N	-1	3	358.390	3.327	40	30	biogenic,in-vitro	FGEBHM
CC(C)=CC[C@@H](OC(=O)C(C)C)C1=CC(=O)c2c([O-])ccc(O)c2C1=O	ZINC000001702730	493797845	/nfs/dbraw/zinc/79/78/45/493797845.db2.gz	BVRYLTBIGIAADD-MRXNPFEDSA-N	-1	3	358.390	3.327	40	30	biogenic,in-vitro	FGEBHM
CN(C)Cc1cc(C(=O)/C=C\c2ccc(O)cc2)cc(CN(C)C)c1[O-]	ZINC000005822393	521889315	/nfs/dbraw/zinc/88/93/15/521889315.db2.gz	GENGBDBCCZWCCY-YFHOEESVSA-N	-1	3	354.450	3.117	40	30		FGEBHM
O=C(COc1ccc(/N=C\c2cc(Cl)ccc2[O-])cc1)N1CCOCC1	ZINC000059520235	493907708	/nfs/dbraw/zinc/90/77/08/493907708.db2.gz	OOBXNLHWXYOPEU-MTJSOVHGSA-N	-1	3	374.824	3.034	40	30		FGEBHM
O=c1[nH]cnc2[n-]c(N=NCc3c4ccccc4cc4ccccc43)nc21	ZINC000006651549	493973041	/nfs/dbraw/zinc/97/30/41/493973041.db2.gz	VEDBTGGJKMPUGY-AUEPDCJTSA-N	-1	3	354.373	3.399	40	30		FGEBHM
CCS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccc(C3(C#N)CC3)cc2)cc1	ZINC000225964104	521684283	/nfs/dbraw/zinc/68/42/83/521684283.db2.gz	KRWDCYDRTPLRDV-UHFFFAOYSA-N	-1	3	369.446	3.256	40	30		FGEBHM
Cc1c(Cl)cccc1NC(=N)Nc1nc(-c2ccccc2)cc(=O)[n-]1	ZINC000020503606	263381653	/nfs/dbraw/zinc/38/16/53/263381653.db2.gz	BCYOPNOFMQARSK-UHFFFAOYSA-N	-1	3	353.813	3.457	40	30		FGEBHM
Cc1sc([N-]C(=S)NC(=O)COc2ccccc2C)c(C#N)c1C	ZINC000014257833	494312855	/nfs/dbraw/zinc/31/28/55/494312855.db2.gz	KDSAZWQSUPPCNX-UHFFFAOYSA-N	-1	3	359.476	3.437	40	30		FGEBHM
Cc1sc([N-]C(=S)NC(=O)c2cccc([N+](=O)[O-])c2)c(C#N)c1C	ZINC000014257828	494313201	/nfs/dbraw/zinc/31/32/01/494313201.db2.gz	HWSQBMOALBKPOJ-UHFFFAOYSA-N	-1	3	360.420	3.272	40	30		FGEBHM
COc1cc(/C=C/C(=O)c2cc(C)nn2C)cc(Br)c1[O-]	ZINC000006922175	210090232	/nfs/dbraw/zinc/09/02/32/210090232.db2.gz	VROZBMIKBWFIRI-SNAWJCMRSA-N	-1	3	351.200	3.101	40	30		FGEBHM
CCOC(=O)c1ccc(N2C(=O)C([O-])=C(C(C)=O)[C@H]2c2cccs2)cc1	ZINC000000808057	219325112	/nfs/dbraw/zinc/32/51/12/219325112.db2.gz	WFDVLWCYVHMLQD-MRXNPFEDSA-N	-1	3	371.414	3.414	40	30		FGEBHM
CCOC(=O)c1ccc(N2C(=O)C(=O)C(=C(C)[O-])[C@H]2c2cccs2)cc1	ZINC000000808057	219325116	/nfs/dbraw/zinc/32/51/16/219325116.db2.gz	WFDVLWCYVHMLQD-MRXNPFEDSA-N	-1	3	371.414	3.414	40	30		FGEBHM
COc1ccc(NC(=O)COc2c(Cl)cc(/C=N\[O-])cc2OC)cc1	ZINC000033851357	494063365	/nfs/dbraw/zinc/06/33/65/494063365.db2.gz	QNIJVAWNAQWIBA-OCKHKDLRSA-N	-1	3	364.785	3.183	40	30		FGEBHM
O=C(COc1ccc(/C=N\[O-])cc1Br)Nc1ccc(F)cc1	ZINC000108325896	568293503	/nfs/dbraw/zinc/29/35/03/568293503.db2.gz	HFTKOVNKZGECQB-LSCVHKIXSA-N	-1	3	367.174	3.414	40	30		FGEBHM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]/N=C/c2ccc(Cl)c(Cl)c2)cc1	ZINC000001595773	210362362	/nfs/dbraw/zinc/36/23/62/210362362.db2.gz	RQUCMIANFRTAJB-LZYBPNLTSA-N	-1	3	374.205	3.214	40	30		FGEBHM
C=CCOc1cccc(NC(=O)c2ccc([N-]S(=O)(=O)CC)cc2)c1	ZINC000408701268	263485737	/nfs/dbraw/zinc/48/57/37/263485737.db2.gz	VERJUMPPDWTIKF-UHFFFAOYSA-N	-1	3	360.435	3.265	40	30		FGEBHM
COc1ccc(/N=C2/SC(CC(=O)[O-])C(=O)N2c2ccccc2)cc1	ZINC000005513498	493933187	/nfs/dbraw/zinc/93/31/87/493933187.db2.gz	AOCGSBJUHTZSIB-MJWGMMHASA-N	-1	3	356.403	3.306	40	30		FGEBHM
N#CC=C([O-])c1ccc(Br)c(F)c1I	ZINC000098210952	222229901	/nfs/dbraw/zinc/22/99/01/222229901.db2.gz	DZOQAFLHPPFUFF-UHFFFAOYSA-N	-1	3	367.943	3.289	40	30		FGEBHM
Cc1c(C(=O)NCc2ccc3c(c2)OCO3)oc2c1/C(=N\[O-])CC(C)(C)C2	ZINC000100931478	222258361	/nfs/dbraw/zinc/25/83/61/222258361.db2.gz	NBSLTRTVTDHJHV-XKZIYDEJSA-N	-1	3	370.405	3.397	40	30		FGEBHM
O=c1c2cn[nH]c2[n-]c(Nc2ccccc2)c1N=Cc1ccc([N+](=O)[O-])cc1	ZINC000104302454	222354912	/nfs/dbraw/zinc/35/49/12/222354912.db2.gz	GHXSOKVBPRVLBQ-OBLBUWMUSA-N	-1	3	374.360	3.144	40	30		FGEBHM
O=C1c2cn[n-]c2N=C(Nc2ccccc2)[C@H]1N=Cc1ccc([N+](=O)[O-])cc1	ZINC000104302454	222354915	/nfs/dbraw/zinc/35/49/15/222354915.db2.gz	GHXSOKVBPRVLBQ-OBLBUWMUSA-N	-1	3	374.360	3.144	40	30		FGEBHM
N#Cc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2ccco2)[n-]1	ZINC000014152362	494306694	/nfs/dbraw/zinc/30/66/94/494306694.db2.gz	JEIRFRVWISMRCC-UHFFFAOYSA-N	-1	3	359.798	3.321	40	30		FGEBHM
N#Cc1ccc(Cl)cc1NC(=O)CSc1nc(-c2ccco2)n[n-]1	ZINC000014152362	494306695	/nfs/dbraw/zinc/30/66/95/494306695.db2.gz	JEIRFRVWISMRCC-UHFFFAOYSA-N	-1	3	359.798	3.321	40	30		FGEBHM
N#Cc1ccc(Cl)cc1NC(=O)CSc1n[n-]c(-c2ccco2)n1	ZINC000014152362	494306696	/nfs/dbraw/zinc/30/66/96/494306696.db2.gz	JEIRFRVWISMRCC-UHFFFAOYSA-N	-1	3	359.798	3.321	40	30		FGEBHM
C=CCn1c(SCC(=O)Nc2nccs2)nnc1-c1ccccc1[O-]	ZINC000004498580	493879439	/nfs/dbraw/zinc/87/94/39/493879439.db2.gz	AJUOZKVBKYGUAZ-UHFFFAOYSA-N	-1	3	373.463	3.024	40	30		FGEBHM
CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccccc1[O-]	ZINC000409292537	570748401	/nfs/dbraw/zinc/74/84/01/570748401.db2.gz	GZSSLYODBXGLSA-UHFFFAOYSA-N	-1	3	372.222	3.309	40	30		FGEBHM
O=c1c2cn[nH]c2[n-]c(Nc2ccccc2)c1N=Cc1ccc([N+](=O)[O-])cc1	ZINC000104302460	222356327	/nfs/dbraw/zinc/35/63/27/222356327.db2.gz	GHXSOKVBPRVLBQ-HSGPEQJXSA-N	-1	3	374.360	3.144	40	30		FGEBHM
O=C1c2cn[n-]c2N=C(Nc2ccccc2)[C@@H]1N=Cc1ccc([N+](=O)[O-])cc1	ZINC000104302460	222356331	/nfs/dbraw/zinc/35/63/31/222356331.db2.gz	GHXSOKVBPRVLBQ-HSGPEQJXSA-N	-1	3	374.360	3.144	40	30		FGEBHM
O=c1c2ccccc2nc(-c2ccccc2)n1N=Cc1ccc(O)cc1[O-]	ZINC000254297524	497348117	/nfs/dbraw/zinc/34/81/17/497348117.db2.gz	QFLRQIULGJWCJA-UHFFFAOYSA-N	-1	3	357.369	3.357	40	30		FGEBHM
COc1ccccc1N1C(=O)C([O-])=C(C(C)=O)[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000066091545	221239977	/nfs/dbraw/zinc/23/99/77/221239977.db2.gz	MVNZVVVCBUYJBQ-KRWDZBQOSA-N	-1	3	368.345	3.092	40	30		FGEBHM
COc1ccccc1N1C(=O)C(=O)C(=C(C)[O-])[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000066091545	221239979	/nfs/dbraw/zinc/23/99/79/221239979.db2.gz	MVNZVVVCBUYJBQ-KRWDZBQOSA-N	-1	3	368.345	3.092	40	30		FGEBHM
COc1ccc(/C=C2\S/C(=N\c3ccccc3[O-])NC2=O)cc1OC	ZINC000005661838	493939262	/nfs/dbraw/zinc/93/92/62/493939262.db2.gz	PTYWZYFAINAPGZ-YBEGLDIGSA-N	-1	3	356.403	3.301	40	30		FGEBHM
COc1cc(C=NNc2nc([O-])cs2)ccc1OCc1cccc(C)c1	ZINC000059194271	493902934	/nfs/dbraw/zinc/90/29/34/493902934.db2.gz	SNCCZRAIFZZXKG-KEBDBYFISA-N	-1	3	369.446	3.136	40	30		FGEBHM
C=CCN1C(=O)/C(=C\c2cc(Br)c([O-])cc2O)SC1=S	ZINC000408719149	499594261	/nfs/dbraw/zinc/59/42/61/499594261.db2.gz	HUFSDCZLZDYOMT-VZUCSPMQSA-N	-1	3	372.265	3.248	40	30		FGEBHM
CC(=[NH+][N-]c1nnc(SCC(=O)c2ccccc2)[n-]1)c1cccnc1	ZINC000058978760	518467565	/nfs/dbraw/zinc/46/75/65/518467565.db2.gz	XELTZARDCOXUME-UDWIEESQSA-N	-1	3	352.423	3.011	40	30		FGEBHM
O=C(CO/N=C/c1ccccc1[O-])Nc1c(F)c(F)c(F)c(F)c1F	ZINC000005770511	493942722	/nfs/dbraw/zinc/94/27/22/493942722.db2.gz	ZRFCCPOLRJGHSW-IGCPIRJNSA-N	-1	3	360.238	3.077	40	30		FGEBHM
COc1ccc([C@H]2C(=C(C)[O-])C(=O)C(=O)N2c2ccccc2OC)cc1	ZINC000066091547	221240597	/nfs/dbraw/zinc/24/05/97/221240597.db2.gz	MTOYTMBGKOEARK-SFHVURJKSA-N	-1	3	353.374	3.193	40	30		FGEBHM
N#C[C@@H](c1nc2ccccc2s1)[C@H](c1ccccc1)n1[n-]c(=O)cc1N	ZINC000004538955	493881564	/nfs/dbraw/zinc/88/15/64/493881564.db2.gz	KDYAKARYKLSQMC-ACJLOTCBSA-N	-1	3	361.430	3.359	40	30		FGEBHM