smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)C1=C([O-])C2=C(C(=O)C1=O)[C@@]1(C)CCCC(C)(C)[C@@H]1CC2=O	ZINC000068564916	201163317	/nfs/dbraw/zinc/16/33/17/201163317.db2.gz	OUFALIMUAGMGPU-YUNKPMOVSA-N	-1	0	330.424	3.708	40	30		EHEBRM
Cc1cc(NN=Cc2cccc([N+](=O)[O-])c2)nc(-c2ccccc2[O-])n1	ZINC000005003051	525042696	/nfs/dbraw/zinc/04/26/96/525042696.db2.gz	NXTLEFHKIYQJOL-YBFXNURJSA-N	-1	0	349.350	3.512	40	30		EHEBRM
O=C([O-])[C@@H](Cc1ccccc1)NC=CC(=O)c1ccc2ccccc2c1	ZINC000016478689	527648416	/nfs/dbraw/zinc/64/84/16/527648416.db2.gz	NQWLFYMNKHYDSB-GHYICZDASA-N	-1	0	345.398	3.822	40	30		EHEBRM
O=[N+]([O-])c1cc(Br)cc(/C=N\c2cccc(O)c2)c1[O-]	ZINC000409108882	564010229	/nfs/dbraw/zinc/01/02/29/564010229.db2.gz	YPHRJAQDKGXIQA-CHHVJCJISA-N	-1	0	337.129	3.519	40	30		EHEBRM
Cc1cc([N+](=O)[O-])ccc1/N=C\c1ccc(O[C@@H](C)C(=O)[O-])cc1	ZINC000408857396	564007633	/nfs/dbraw/zinc/00/76/33/564007633.db2.gz	UVPORMAHDKFLIS-XACIZNRCSA-N	-1	0	328.324	3.506	40	30		EHEBRM
C=CCOc1ccc(CNc2ccc(C(=O)[O-])cc2)cc1OCC	ZINC000016689022	211929477	/nfs/dbraw/zinc/92/94/77/211929477.db2.gz	SDAZOCMKEVZGFI-UHFFFAOYSA-N	-1	0	327.380	3.960	40	30		EHEBRM
COc1cccc(C=Nn2c(=S)[n-]nc2C2CCCCC2)c1OC	ZINC000013109277	207347420	/nfs/dbraw/zinc/34/74/20/207347420.db2.gz	SBIRMASERGRSSS-WQRHYEAKSA-N	-1	0	346.456	3.888	40	30		EHEBRM
COC(=O)c1ccc(C=Nn2c(=S)[n-]nc2C2CCCCC2)cc1	ZINC000000552137	563345051	/nfs/dbraw/zinc/34/50/51/563345051.db2.gz	GWLMRJCFWZIOJC-WQRHYEAKSA-N	-1	0	344.440	3.657	40	30		EHEBRM
CCc1cccc(C)c1NC(=O)N=S(=O)([O-])c1ccc(C)cc1	ZINC000001625079	563397515	/nfs/dbraw/zinc/39/75/15/563397515.db2.gz	GAIWCIYJFTXIBB-UHFFFAOYSA-N	-1	0	332.425	3.581	40	30		EHEBRM
O=[N+]([O-])c1cc(Br)c([O-])c(/C=N\c2ccccc2F)c1	ZINC000409066013	564009369	/nfs/dbraw/zinc/00/93/69/564009369.db2.gz	JTMRHDOVXRAYCA-APSNUPSMSA-N	-1	0	339.120	3.953	40	30		EHEBRM
C=C1CC[C@@H]2[C@](C)(C(=O)[O-])CCC[C@@]2(C)[C@H]1CC/C(=C\CO)CO	ZINC000105155304	564024891	/nfs/dbraw/zinc/02/48/91/564024891.db2.gz	UTBCORIJXVSSBE-FMIDRNAOSA-N	-1	0	336.472	3.541	40	30	biogenic,in-vitro	EHEBRM
CC(=O)c1ccc(N=Cc2ccc(OCC(=O)[O-])c(Cl)c2)cc1	ZINC000059249512	564050590	/nfs/dbraw/zinc/05/05/90/564050590.db2.gz	VRYWWPHUMXPHRD-DJKKODMXSA-N	-1	0	331.755	3.757	40	30		EHEBRM
O=c1ccc2cc(/N=C/c3cc(Cl)cc([N+](=O)[O-])c3[O-])ccc2o1	ZINC000006925622	201706532	/nfs/dbraw/zinc/70/65/32/201706532.db2.gz	VTOBHKDXRVTFLK-QGMBQPNBSA-N	-1	0	344.710	3.811	40	30		EHEBRM
N#Cc1oc2ccccc2c1[N-]S(=O)(=O)c1cccc2cccnc21	ZINC000028047626	202164826	/nfs/dbraw/zinc/16/48/26/202164826.db2.gz	QHSIHDYPDDWFQB-UHFFFAOYSA-N	-1	0	349.371	3.653	40	30		EHEBRM
CCc1nnc(C2=C([O-])C(=Cc3cccc(OC)c3)SC2=N)s1	ZINC000136810156	564000094	/nfs/dbraw/zinc/00/00/94/564000094.db2.gz	CVJVYRPNXJBESM-KIRBRQRLSA-N	-1	0	345.449	3.527	40	30		EHEBRM
N#Cc1cnccc1/C=C/c1ccc(OCc2occc2C(=O)[O-])cc1	ZINC000349102842	1141638952	/nfs/dbraw/zinc/63/89/52/1141638952.db2.gz	BJZIUEPUENFJOG-DAFODLJHSA-N	-1	0	346.342	3.994	40	30		EHEBRM
C=CCc1cc(/C=N\c2cccc(C)c2)cc(OC)c1OCC(=O)[O-]	ZINC000408851204	257887502	/nfs/dbraw/zinc/88/75/02/257887502.db2.gz	ACHWTBDBFZGCJS-MTJSOVHGSA-N	-1	0	339.391	3.946	40	30		EHEBRM
C=CCc1cc(/C=N/Cc2ccc(C(=O)[O-])cc2)cc(OCC)c1O	ZINC000059302155	257850370	/nfs/dbraw/zinc/85/03/70/257850370.db2.gz	BYUDHHWMDPVRSL-FYJGNVAPSA-N	-1	0	339.391	3.837	40	30		EHEBRM
O=[N+]([O-])c1ccc([O-])c(C=NNc2ccnc3cc(Cl)ccc32)c1	ZINC000036186205	563643770	/nfs/dbraw/zinc/64/37/70/563643770.db2.gz	DGIJCKOXGBUOJI-OCKHKDLRSA-N	-1	0	342.742	3.948	40	30		EHEBRM
Cc1cccc(N=Nc2c(=O)n(-c3ccccc3)[n-]c2C(F)(F)F)c1	ZINC000100354966	563982570	/nfs/dbraw/zinc/98/25/70/563982570.db2.gz	PHRGPZTXTFVWIC-HMAPJEAMSA-N	-1	0	346.312	3.728	40	30		EHEBRM
CCc1ccc(C(C)=NNc2nnc3c4ccccc4nc-3[n-]2)cc1	ZINC000004587361	564005237	/nfs/dbraw/zinc/00/52/37/564005237.db2.gz	CEPUDQRPLPYIKM-UUYOSTAYSA-N	-1	0	330.395	3.905	40	30		EHEBRM
O=C(COc1ccc(Cl)cc1/C=N\[O-])Nc1ccccc1Cl	ZINC000409260732	564011417	/nfs/dbraw/zinc/01/14/17/564011417.db2.gz	VMFIAZONIZWCBK-LSCVHKIXSA-N	-1	0	339.178	3.819	40	30		EHEBRM
C=C[C@@]1(C)C[C@H](O)[C@]2(C1)CC[C@@H]1[C@@](C)(CCC[C@]1(C)C(=O)[O-])C2=O	ZINC000072320545	202363904	/nfs/dbraw/zinc/36/39/04/202363904.db2.gz	JSXYBZIRJXMIMK-MOGBFKHBSA-N	-1	0	334.456	3.580	40	30	biogenic,in-vitro	EHEBRM
CCCCn1c(=O)c(C(=O)/C=C/c2ccco2)c([O-])c2ccccc21	ZINC000100176027	563308762	/nfs/dbraw/zinc/30/87/62/563308762.db2.gz	VJBWEBOKOMRQPU-ZHACJKMWSA-N	-1	0	337.375	3.996	40	30		EHEBRM
O=C([O-])C(C(=O)/C=C/c1cccs1)=C1SCCCCS1	ZINC000005770465	563549743	/nfs/dbraw/zinc/54/97/43/563549743.db2.gz	NINXYAFADHDXKV-AATRIKPKSA-N	-1	0	326.464	3.887	40	30		EHEBRM
O=C([O-])c1ccccc1NC=CC(=O)c1ccc(Br)cc1	ZINC000005936662	563554685	/nfs/dbraw/zinc/55/46/85/563554685.db2.gz	DRIGQYPWMVCQDZ-KTKRTIGZSA-N	-1	0	346.180	3.956	40	30		EHEBRM
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1cccc(C(F)(F)F)c1	ZINC000017063256	563830692	/nfs/dbraw/zinc/83/06/92/563830692.db2.gz	LZJLSFVFJDFRAT-JCMHNJIXSA-N	-1	0	346.312	3.896	40	30		EHEBRM
O=[N+]([O-])c1ccc(Oc2ccc(Cl)cc2/C=N/[O-])c([N+](=O)[O-])c1	ZINC000409076980	564009424	/nfs/dbraw/zinc/00/94/24/564009424.db2.gz	CVOODQJGHAWWKD-VIZOYTHASA-N	-1	0	337.675	3.757	40	30		EHEBRM
Cc1cc(/C=N\c2ccc(O)c(C(=O)[O-])c2)c(C)n1-c1ccccn1	ZINC000409250904	564011348	/nfs/dbraw/zinc/01/13/48/564011348.db2.gz	ORRQPZRBRIQJNB-NHDPSOOVSA-N	-1	0	335.363	3.644	40	30		EHEBRM
COc1cc(C=NNc2cccc(C(=O)[O-])c2)cc(Cl)c1OC	ZINC000036046206	201770625	/nfs/dbraw/zinc/77/06/25/201770625.db2.gz	PCHAGBJIFYZZCR-NVMNQCDNSA-N	-1	0	334.759	3.501	40	30		EHEBRM
Cc1cc([N+](=O)[O-])cc(/C=N/c2cccc(NC(=O)C(C)C)c2)c1[O-]	ZINC000037613824	202347559	/nfs/dbraw/zinc/34/75/59/202347559.db2.gz	MDJGWNVKYUEXCN-VXLYETTFSA-N	-1	0	341.367	3.954	40	30		EHEBRM
CC(C)[C@]1(O)C=C2C(=O)C[C@H]3[C@](C)(C(=O)[O-])CCC[C@]3(C)[C@@H]2CC1	ZINC000013303389	207379866	/nfs/dbraw/zinc/37/98/66/207379866.db2.gz	UFEHYRPBLFGEJW-QSQZVVNTSA-N	-1	0	334.456	3.580	40	30	biogenic,in-vitro	EHEBRM
COc1c2ccoc2cc([O-])c1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1	ZINC000004293416	563499332	/nfs/dbraw/zinc/49/93/32/563499332.db2.gz	IBDSRVXKMCKMRM-QPJJXVBHSA-N	-1	0	339.303	3.951	40	30		EHEBRM
C=CCc1cc(/C=N\c2ccc(O)c(C(=O)[O-])c2)cc(OCC)c1O	ZINC000408859730	564007721	/nfs/dbraw/zinc/00/77/21/564007721.db2.gz	YOPFBJRCSXFMBX-JAIQZWGSSA-N	-1	0	341.363	3.674	40	30		EHEBRM
COc1cc2c(cc1/C=N/c1ccc(Cl)c(C(=O)[O-])c1)OCO2	ZINC000409064156	564009331	/nfs/dbraw/zinc/00/93/31/564009331.db2.gz	BUXJGDATUYRGLU-CNHKJKLMSA-N	-1	0	333.727	3.526	40	30		EHEBRM
C=CCc1cc(/C=N/O)cc(OC)c1OCc1ccc(C(=O)[O-])cc1	ZINC000409063417	564009337	/nfs/dbraw/zinc/00/93/37/564009337.db2.gz	BKFGXCZIZIRZDI-RGVLZGJSSA-N	-1	0	341.363	3.509	40	30		EHEBRM
CCc1nnc(C2=C([O-])C(=Cc3ccc(F)cc3)SC2=N)s1	ZINC000137619191	564130030	/nfs/dbraw/zinc/13/00/30/564130030.db2.gz	ROZXJXSLEJTTOB-LNYDFZRASA-N	-1	0	333.413	3.657	40	30		EHEBRM
N#Cc1c2c(sc1NC(=O)c1noc3c1CCCCC3)CCC2	ZINC000000426587	564133211	/nfs/dbraw/zinc/13/32/11/564133211.db2.gz	WGMOJZCIXCQEJR-UHFFFAOYSA-N	-1	0	327.409	3.618	40	30		EHEBRM
CCC(=O)Nc1ccc(/N=C/c2cc([N+](=O)[O-])cc(C)c2[O-])cc1	ZINC000035189309	213013458	/nfs/dbraw/zinc/01/34/58/213013458.db2.gz	VEDRAWGNPPGESO-VCHYOVAHSA-N	-1	0	327.340	3.708	40	30		EHEBRM
CCn1c(=O)c(C=Nc2ccccc2C(C)=O)c([O-])c2ccccc21	ZINC000101631750	204015356	/nfs/dbraw/zinc/01/53/56/204015356.db2.gz	QZGCVXULZZCWJE-CIAFOILYSA-N	-1	0	334.375	3.680	40	30		EHEBRM
C=C1CC[C@@H]2[C@](C)(C(=O)[O-])CCC[C@@]2(C)[C@@H]1CC/C(=C\CO)CO	ZINC000105155298	206503047	/nfs/dbraw/zinc/50/30/47/206503047.db2.gz	UTBCORIJXVSSBE-BDEILRBNSA-N	-1	0	336.472	3.541	40	30	biogenic,in-vitro	EHEBRM
COc1cc(C=Nn2c(=S)[n-]nc2-c2ccc(C)cc2)ccc1O	ZINC000055389451	563934528	/nfs/dbraw/zinc/93/45/28/563934528.db2.gz	JEMCNCVNJIPYTH-ZDLGFXPLSA-N	-1	0	340.408	3.513	40	30		EHEBRM
COc1cc(C=C2SC(=N)C(c3nccs3)=C2[O-])ccc1C	ZINC000136118875	564000066	/nfs/dbraw/zinc/00/00/66/564000066.db2.gz	UAHRAOIWCGILIP-CBZGGUPYSA-N	-1	0	330.434	3.878	40	30		EHEBRM
COc1cccc(/C=N/c2ccc(F)cc2F)c1O[C@@H](C)C(=O)[O-]	ZINC000409241650	564011366	/nfs/dbraw/zinc/01/13/66/564011366.db2.gz	LASFMLNUBXZAQA-YPZZKDGISA-N	-1	0	335.306	3.576	40	30		EHEBRM
N#CCCc1c(=O)n(-c2nc3ccccc3[nH]2)[n-]c1-c1ccccc1	ZINC000014607971	564023624	/nfs/dbraw/zinc/02/36/24/564023624.db2.gz	TZSDZCZEIXPXFR-UHFFFAOYSA-N	-1	0	329.363	3.577	40	30		EHEBRM
N#Cc1c2[nH]c3ccccc3n2c(=O)c(N=Nc2ccccc2F)c1[O-]	ZINC000103891513	204089251	/nfs/dbraw/zinc/08/92/51/204089251.db2.gz	CJOWPQVPMVYIOL-FCQUAONHSA-N	-1	0	347.309	3.913	40	30		EHEBRM
C=C1CC[C@H]2[C@](C)(C(=O)[O-])CCC[C@@]2(C)[C@H]1CC/C(=C\CO)CO	ZINC000013329926	207371560	/nfs/dbraw/zinc/37/15/60/207371560.db2.gz	UTBCORIJXVSSBE-ITALKTEQSA-N	-1	0	336.472	3.541	40	30	biogenic,in-vitro	EHEBRM
COc1cc(/C=C/C(=O)c2ccccc2)cc(Cl)c1OCC(=O)[O-]	ZINC000408619117	257893870	/nfs/dbraw/zinc/89/38/70/257893870.db2.gz	GCYLEVQCDLOYJT-BQYQJAHWSA-N	-1	0	346.766	3.708	40	30		EHEBRM
C=CCn1c(CSc2ccc(C)cc2)nnc1S[C@H](C)C(=O)[O-]	ZINC000026469500	258005452	/nfs/dbraw/zinc/00/54/52/258005452.db2.gz	WDQSAYFRAMDKPY-GFCCVEGCSA-N	-1	0	349.481	3.630	40	30		EHEBRM
CC/C=C\C[C@@H](O)/C=C/[C@H]1C=CC(=O)[C@@H]1C/C=C\CCCC(=O)[O-]	ZINC000027639191	520202149	/nfs/dbraw/zinc/20/21/49/520202149.db2.gz	KSIRMUMXJFWKAC-YIWABTFFSA-N	-1	0	332.440	3.832	40	30	in-vitro	EHEBRM
O=C([O-])c1cccc(/N=C/c2ccc(Br)c([N+](=O)[O-])c2)c1	ZINC000005427865	563532380	/nfs/dbraw/zinc/53/23/80/563532380.db2.gz	PUPHQFIVNUPGPH-LZYBPNLTSA-N	-1	0	349.140	3.806	40	30		EHEBRM
COc1ccc([N-]C(=S)Sc2ccc(C#N)cc2[N+](=O)[O-])cc1	ZINC000006398319	563567153	/nfs/dbraw/zinc/56/71/53/563567153.db2.gz	FIWVRHLWVWGHLG-UHFFFAOYSA-N	-1	0	345.405	3.964	40	30		EHEBRM
[O-]c1c(Cl)cc(Cl)cc1/C=N/NC(=S)c1ccccc1	ZINC000003155733	563984372	/nfs/dbraw/zinc/98/43/72/563984372.db2.gz	NMQAIQYTJSJUCD-CAOOACKPSA-N	-1	0	325.220	3.998	40	30		EHEBRM
N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1OCC(=O)[O-]	ZINC000005338507	564002711	/nfs/dbraw/zinc/00/27/11/564002711.db2.gz	XPYSWAMVIPWXKO-UHFFFAOYSA-N	-1	0	330.343	3.751	40	30		EHEBRM
CN1C(=O)/C(=C\c2ccccc2)S/C1=N\c1ccc(C(=O)[O-])cc1	ZINC000033351092	564050140	/nfs/dbraw/zinc/05/01/40/564050140.db2.gz	WPSYWHOQIUGUSM-DCOUVPPESA-N	-1	0	338.388	3.619	40	30		EHEBRM
O=S(=O)([O-])c1ccc(-c2ccc(C=Nc3ccc(O)cc3)o2)cc1	ZINC000245228233	564124117	/nfs/dbraw/zinc/12/41/17/564124117.db2.gz	KURAPZICTDPRKS-UHFFFAOYSA-N	-1	0	343.360	3.650	40	30		EHEBRM
O=C([O-])C(C(=O)/C=C/c1cccc(Cl)c1)=C1SCCS1	ZINC000062716075	564133843	/nfs/dbraw/zinc/13/38/43/564133843.db2.gz	BUVPBWDWKWMURD-SNAWJCMRSA-N	-1	0	326.826	3.699	40	30		EHEBRM
O=c1ccc2cc(N=Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])ccc2o1	ZINC000254354533	1125261345	/nfs/dbraw/zinc/26/13/45/1125261345.db2.gz	VTOBHKDXRVTFLK-UHFFFAOYSA-N	-1	0	344.710	3.811	40	30		EHEBRM
N#Cc1ccc2c(c1)[C@H]1OCCC[C@H]1[C@H](c1ccc(C(=O)[O-])cc1)N2	ZINC000015017503	201947364	/nfs/dbraw/zinc/94/73/64/201947364.db2.gz	CAMAFWRXYRNIFZ-SNRMKQJTSA-N	-1	0	334.375	3.891	40	30		EHEBRM
C[C@@H](Oc1ccc(/C=N/c2ccc(Cl)c([N+](=O)[O-])c2)cc1)C(=O)[O-]	ZINC000408847212	257887599	/nfs/dbraw/zinc/88/75/99/257887599.db2.gz	PZJBXAGGLBFKRQ-SVXRXWARSA-N	-1	0	348.742	3.851	40	30		EHEBRM
Cc1cc(N=NCc2ccc([N+](=O)[O-])cc2)nc(-c2ccccc2[O-])n1	ZINC000036624720	525047183	/nfs/dbraw/zinc/04/71/83/525047183.db2.gz	KYMBKWAZEOIIHI-ODLFYWEKSA-N	-1	0	349.350	3.512	40	30		EHEBRM
O=[N+]([O-])c1cc(C=NNc2ccccc2C(F)(F)F)ccc1[O-]	ZINC000034892203	563483272	/nfs/dbraw/zinc/48/32/72/563483272.db2.gz	OHPAMDUHMRAUSW-QGMBQPNBSA-N	-1	0	325.246	3.765	40	30		EHEBRM
Cc1ccc2nc3[n-]c(NN=Cc4ccccc4Cl)nnc-3c2c1	ZINC000005343069	563527570	/nfs/dbraw/zinc/52/75/70/563527570.db2.gz	WTCVNANBIBSYRE-DJKKODMXSA-N	-1	0	336.786	3.914	40	30		EHEBRM
C[C@H]1CCc2c(sc(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)[O-])c2C#N)C1	ZINC000006253631	201362313	/nfs/dbraw/zinc/36/23/13/201362313.db2.gz	DXOWYLQBEZIRSU-UHTWSYAYSA-N	-1	0	346.452	3.574	40	30		EHEBRM
CCCCCCCCCCS(=O)(=O)NCCCCCC(=O)[O-]	ZINC000100922040	204000047	/nfs/dbraw/zinc/00/00/47/204000047.db2.gz	MONZARSOOAUKMZ-UHFFFAOYSA-N	-1	0	335.510	3.692	40	30		EHEBRM
O=C(C=C([O-])c1ccc(F)cc1)C(O)=CC(=O)c1ccc(F)cc1	ZINC000100933509	204000364	/nfs/dbraw/zinc/00/03/64/204000364.db2.gz	BLFQHABLFBXSIY-XFQWXJFMSA-N	-1	0	330.286	3.914	40	30		EHEBRM
CC(C)(O)C1=CC2=CC[C@@H]3[C@](C)(C(=O)[O-])CCC[C@]3(C)[C@@H]2CC1=O	ZINC000014496146	207766831	/nfs/dbraw/zinc/76/68/31/207766831.db2.gz	CUXCAMYFFUWHQV-HCAQKZJRSA-N	-1	0	332.440	3.500	40	30	biogenic,in-vitro	EHEBRM
CC1=C[C@](C)(C(Cl)(Cl)Cl)C=C/C1=N\O[C@@H](C)C(=O)[O-]	ZINC000004982872	563517445	/nfs/dbraw/zinc/51/74/45/563517445.db2.gz	QZHVFVLGJNUPIE-ORZSIHCTSA-N	-1	0	326.607	3.725	40	30		EHEBRM
O=[N+]([O-])c1ccc(C=Nn2c(=S)[n-]nc2C2CCCCC2)cc1	ZINC000013110574	563688080	/nfs/dbraw/zinc/68/80/80/563688080.db2.gz	LYBNVDYAZKAESB-YBEGLDIGSA-N	-1	0	331.401	3.779	40	30		EHEBRM
O=[N+]([O-])c1cc(Cl)cc(C=NNc2cccc3cccnc32)c1[O-]	ZINC000038162416	563921751	/nfs/dbraw/zinc/92/17/51/563921751.db2.gz	SEDMWFIVJUZOSK-DJKKODMXSA-N	-1	0	342.742	3.948	40	30		EHEBRM
COc1ccc(C=C2SC(=N)C(c3nccs3)=C2[O-])c(OC)c1	ZINC000033725143	564129897	/nfs/dbraw/zinc/12/98/97/564129897.db2.gz	IUCCQDWLIGCKDT-ZJEQXIFMSA-N	-1	0	346.433	3.578	40	30		EHEBRM
CCN(CC)c1ccc(/N=C2/C=C(C(=O)[O-])C(=O)c3ccccc32)cc1	ZINC000016678511	201978609	/nfs/dbraw/zinc/97/86/09/201978609.db2.gz	IBFCZEPVAOODTK-QOCHGBHMSA-N	-1	0	348.402	3.861	40	30		EHEBRM
CCOc1cccc(/N=C\c2ccc(O[C@@H](C)C(=O)[O-])c(OC)c2)c1	ZINC000409009231	257882760	/nfs/dbraw/zinc/88/27/60/257882760.db2.gz	CFRNWEWCFAXOAZ-RQZLXBNYSA-N	-1	0	343.379	3.696	40	30		EHEBRM
O=C([O-])[C@H](Cc1ccccc1)NC=CC(=O)c1cccc2ccccc21	ZINC000016478698	526306637	/nfs/dbraw/zinc/30/66/37/526306637.db2.gz	BWVCHFWQJMSMFQ-ODLZTCLXSA-N	-1	0	345.398	3.822	40	30		EHEBRM
Cc1cc(/C=N/c2cccc(NC(=O)C(C)C)c2)c([O-])c([N+](=O)[O-])c1	ZINC000005959498	563556212	/nfs/dbraw/zinc/55/62/12/563556212.db2.gz	JBLPGIDJTGIRGD-VXLYETTFSA-N	-1	0	341.367	3.954	40	30		EHEBRM
CN1c2ccccc2C(=N[N-]c2nc(-c3ccccc3)cs2)C1=O	ZINC000100492059	563912775	/nfs/dbraw/zinc/91/27/75/563912775.db2.gz	IYANUSWDMYUGDN-SILNSSARSA-N	-1	0	334.404	3.603	40	30		EHEBRM
O=S(=O)([O-])c1ccc(NN=Cc2ccc(Cl)c(Cl)c2)cc1	ZINC000100360911	563982569	/nfs/dbraw/zinc/98/25/69/563982569.db2.gz	ZCARERURRZDOJA-PXNMLYILSA-N	-1	0	345.207	3.686	40	30		EHEBRM
CCc1nnc(C2=C([O-])C(=Cc3ccccc3OC)SC2=N)s1	ZINC000136475362	564000106	/nfs/dbraw/zinc/00/01/06/564000106.db2.gz	HDAMZDILBBVZGS-KIRBRQRLSA-N	-1	0	345.449	3.527	40	30		EHEBRM
Cc1cc(/N=C\c2ccc(O[C@@H](C)C(=O)[O-])cc2)cc([N+](=O)[O-])c1C	ZINC000408818199	564007410	/nfs/dbraw/zinc/00/74/10/564007410.db2.gz	PEWJCTGRJZHTAN-GJUHEBOISA-N	-1	0	342.351	3.814	40	30		EHEBRM
N#CCCc1c(=O)n(-c2nc3ccccc3o2)[n-]c1-c1ccccc1	ZINC000014607915	564023632	/nfs/dbraw/zinc/02/36/32/564023632.db2.gz	VZQSRVBERQBTKC-UHFFFAOYSA-N	-1	0	330.347	3.842	40	30		EHEBRM
Cc1ccc2c(c1)/C(=N/[O-])C(=O)N2CCOc1ccc2ccccc2c1	ZINC000101101667	219115896	/nfs/dbraw/zinc/11/58/96/219115896.db2.gz	DIGGNTSXEXWNCD-XDOYNYLZSA-N	-1	0	346.386	3.752	40	30		EHEBRM
CC(C)C1=C([O-])C2=C(C(=O)C1=O)[C@@]1(C)CCCC(C)(C)[C@H]1C[C@@H]2O	ZINC000005114386	201057451	/nfs/dbraw/zinc/05/74/51/201057451.db2.gz	YVSUCPNWDPTGKM-ZBUHCNDUSA-N	-1	0	332.440	3.500	40	30		EHEBRM
Cc1nn(-c2ccc(C(=O)[O-])cc2C#Cc2ccccc2)c(C)c1C	ZINC000013993030	207544756	/nfs/dbraw/zinc/54/47/56/207544756.db2.gz	JSCOMZASNPRXDV-UHFFFAOYSA-N	-1	0	330.387	3.896	40	30		EHEBRM
O=[N+]([O-])c1cc(Br)cc(/C=N/c2cccc(F)c2)c1[O-]	ZINC000409103054	257879753	/nfs/dbraw/zinc/87/97/53/257879753.db2.gz	CZHISCNDYXWKNG-FRKPEAEDSA-N	-1	0	339.120	3.953	40	30		EHEBRM
CCc1ccc2nc3[n-]c(NN=Cc4ccccc4F)nnc-3c2c1	ZINC000005471601	563533994	/nfs/dbraw/zinc/53/39/94/563533994.db2.gz	GPZZEKWWRAWREM-KEBDBYFISA-N	-1	0	334.358	3.654	40	30		EHEBRM
O=[N+]([O-])c1cc(Br)cc(/C=N/c2ccc(F)cc2)c1[O-]	ZINC000003155830	563984420	/nfs/dbraw/zinc/98/44/20/563984420.db2.gz	KEKWJLMHMMDKAW-FRKPEAEDSA-N	-1	0	339.120	3.953	40	30		EHEBRM
O=[N+]([O-])c1cc(Br)c([O-])c(/C=N/c2cccc(F)c2)c1	ZINC000409072236	564009482	/nfs/dbraw/zinc/00/94/82/564009482.db2.gz	UOPKPAOVDZCHRE-FRKPEAEDSA-N	-1	0	339.120	3.953	40	30		EHEBRM
O=C([O-])Cc1sc(N=NCc2ccccc2)nc1-c1ccccc1	ZINC000008306402	564035265	/nfs/dbraw/zinc/03/52/65/564035265.db2.gz	QEUYKMZLRJUCKC-XDHOZWIPSA-N	-1	0	337.404	3.883	40	30		EHEBRM
Cc1ccc(C)c(NC(=O)COc2ccc(Cl)cc2/C=N\[O-])c1	ZINC000008369968	564127305	/nfs/dbraw/zinc/12/73/05/564127305.db2.gz	AIMYDHQSPNTDKN-OCKHKDLRSA-N	-1	0	332.787	3.782	40	30		EHEBRM
CCOc1ccc(C=C2SC(=N)C(c3nccs3)=C2[O-])cc1	ZINC000138247567	564130032	/nfs/dbraw/zinc/13/00/32/564130032.db2.gz	QDPVMHBRBVVWRI-JSUBLRMOSA-N	-1	0	330.434	3.960	40	30		EHEBRM
N#Cc1c2c(sc1NC(=O)c1noc3c1CCCC3)CCCC2	ZINC000000426533	564133216	/nfs/dbraw/zinc/13/32/16/564133216.db2.gz	RJTCEAQQUHJVBV-UHFFFAOYSA-N	-1	0	327.409	3.618	40	30		EHEBRM
C/C(=C\C(=O)c1c([O-])c2ccccc2n(C)c1=O)Nc1ccccc1C	ZINC000101153882	204002921	/nfs/dbraw/zinc/00/29/21/204002921.db2.gz	FFSQRGJOTMXFAV-WYMLVPIESA-N	-1	0	348.402	3.751	40	30		EHEBRM
Cc1cc(N2CCOCC2)ccc1/C=N/c1cccc(C(=O)[O-])c1C	ZINC000409099696	257879757	/nfs/dbraw/zinc/87/97/57/257879757.db2.gz	SWDXGDKXODOFGS-FYJGNVAPSA-N	-1	0	338.407	3.589	40	30		EHEBRM
O=C([O-])c1cc(/N=C/c2ccc(N3CCCC3)c(F)c2)ccc1O	ZINC000000210829	563260743	/nfs/dbraw/zinc/26/07/43/563260743.db2.gz	LAGGFPFESMFYBI-RGVLZGJSSA-N	-1	0	328.343	3.580	40	30		EHEBRM
COc1cc(Br)c([O-])c(/C=N/c2oc(C)c(C)c2C#N)c1	ZINC000408592565	563492727	/nfs/dbraw/zinc/49/27/27/563492727.db2.gz	ZKDDPWUFCGSTSX-CNHKJKLMSA-N	-1	0	349.184	3.995	40	30		EHEBRM
C=CCc1cc(/C=N/c2cccc(F)c2)cc(OC)c1OCC(=O)[O-]	ZINC000059302827	564050674	/nfs/dbraw/zinc/05/06/74/564050674.db2.gz	JSYHOFHAPCLQPH-SRZZPIQSSA-N	-1	0	343.354	3.777	40	30		EHEBRM
C=C(N=c1[nH]c2ccccc2s1)c1c(=O)oc2ccccc2c1[O-]	ZINC000018213470	564085669	/nfs/dbraw/zinc/08/56/69/564085669.db2.gz	LHCZLNBPUIJOPB-GDNBJRDFSA-N	-1	0	336.372	3.784	40	30		EHEBRM
CC(C)[C@]1(O)C=C2C(=O)C[C@@H]3[C@](C)(C(=O)[O-])CCC[C@@]3(C)[C@@H]2CC1	ZINC000253389048	564130393	/nfs/dbraw/zinc/13/03/93/564130393.db2.gz	UFEHYRPBLFGEJW-IZHFEEFNSA-N	-1	0	334.456	3.580	40	30	biogenic,in-vitro	EHEBRM
CCc1n[n-]c(=S)n1N=Cc1ccc(OCc2ccccc2)cc1	ZINC000005410322	257867600	/nfs/dbraw/zinc/86/76/00/257867600.db2.gz	HWOJFTSGZLJJRE-XDHOZWIPSA-N	-1	0	338.436	3.964	40	30		EHEBRM
COc1ccc(-n2cccc2/C=N/c2cc([N+](=O)[O-])ccc2[O-])cc1	ZINC000408844485	564007544	/nfs/dbraw/zinc/00/75/44/564007544.db2.gz	JNDAFUQPBOLWPZ-XDHOZWIPSA-N	-1	0	337.335	3.850	40	30		EHEBRM
COc1cccc(/C=N/c2ccc(C)c(C)c2)c1O[C@@H](C)C(=O)[O-]	ZINC000409222601	564011222	/nfs/dbraw/zinc/01/12/22/564011222.db2.gz	CFBKRUKGWAYZFU-HXJASHHUSA-N	-1	0	327.380	3.915	40	30		EHEBRM
O=S(=O)([O-])c1ccc(NN=Cc2ccc(Cl)c(Cl)c2)cc1	ZINC000004743948	564111726	/nfs/dbraw/zinc/11/17/26/564111726.db2.gz	ZCARERURRZDOJA-LZYBPNLTSA-N	-1	0	345.207	3.686	40	30		EHEBRM
CC(C)n1ncc2c1nc(/C=C/c1cc(C#N)cs1)cc2C(=O)[O-]	ZINC000554518930	1039430352	/nfs/dbraw/zinc/43/03/52/1039430352.db2.gz	GQZOBKVKDZIHIN-ONEGZZNKSA-N	-1	0	338.392	3.814	40	30		EHEBRM
O=S(=O)([O-])c1ccc(NN=Cc2ccc(Cl)cc2Cl)cc1	ZINC000004743956	201615184	/nfs/dbraw/zinc/61/51/84/201615184.db2.gz	IDNBAERWAHMESX-PXNMLYILSA-N	-1	0	345.207	3.686	40	30		EHEBRM
O=C([O-])c1ccc(-n2cccc2/C=N\c2ccc([N+](=O)[O-])cc2)cc1	ZINC000409234806	257873701	/nfs/dbraw/zinc/87/37/01/257873701.db2.gz	YJCWWYSRFVVWTM-UNOMPAQXSA-N	-1	0	335.319	3.834	40	30		EHEBRM
Cc1[n-]n(-c2ccccc2)c(=O)c1C=NC(=S)Nc1ccccc1	ZINC000003136117	527548780	/nfs/dbraw/zinc/54/87/80/527548780.db2.gz	JKUOGRSHFOYPFA-XDHOZWIPSA-N	-1	0	336.420	3.702	40	30		EHEBRM
CC(C)C1=C([O-])C2=C(C(=O)C1=O)[C@@]1(C)CCCC(C)(C)[C@@H]1[C@@H](O)C2	ZINC000068601949	563963270	/nfs/dbraw/zinc/96/32/70/563963270.db2.gz	LHCTZBGPXAXLAE-FOPRYUNUSA-N	-1	0	332.440	3.500	40	30		EHEBRM
O=C([O-])c1ccccc1-c1ccc(/C=N/c2ccc3[nH]c(=O)[nH]c3c2)o1	ZINC000006222515	563977774	/nfs/dbraw/zinc/97/77/74/563977774.db2.gz	WAWLDSCEHKAKLV-KEBDBYFISA-N	-1	0	347.330	3.565	40	30		EHEBRM
C[C@H](Oc1ccc(/C=N/c2ccc(Cl)c([N+](=O)[O-])c2)cc1)C(=O)[O-]	ZINC000408847210	564007539	/nfs/dbraw/zinc/00/75/39/564007539.db2.gz	PZJBXAGGLBFKRQ-NTOSSWPYSA-N	-1	0	348.742	3.851	40	30		EHEBRM
Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=N\[O-])cc1C	ZINC000409255805	564011356	/nfs/dbraw/zinc/01/13/56/564011356.db2.gz	IWNOHNHZFFZDKY-OCKHKDLRSA-N	-1	0	332.787	3.782	40	30		EHEBRM
C[C@H]1CCC[C@H](C(=O)/C(=C\c2cccc(Cl)c2)C(=O)C(=O)[O-])C1	ZINC000034074056	202273029	/nfs/dbraw/zinc/27/30/29/202273029.db2.gz	WXZJANUZVNOTHQ-OMUGBHNSSA-N	-1	0	334.799	3.773	40	30		EHEBRM
C/C(=N\c1cc(Cl)ccc1O)c1c([O-])c2ccccc2n(C)c1=O	ZINC000101161062	204002155	/nfs/dbraw/zinc/00/21/55/204002155.db2.gz	XJPHYZHBUOINQX-KEBDBYFISA-N	-1	0	342.782	3.744	40	30		EHEBRM
C=C1CC[C@H]2[C@@](C)(C(=O)[O-])CCC[C@@]2(C)[C@H]1CC/C(=C\CO)CO	ZINC000013329930	207371995	/nfs/dbraw/zinc/37/19/95/207371995.db2.gz	UTBCORIJXVSSBE-FNSYQRDJSA-N	-1	0	336.472	3.541	40	30	biogenic,in-vitro	EHEBRM
COc1cc(/C=N/c2ccc(C)c(C)c2)ccc1O[C@@H](C)C(=O)[O-]	ZINC000409010457	257882995	/nfs/dbraw/zinc/88/29/95/257882995.db2.gz	KOOJSUXYWJLTAX-HXJASHHUSA-N	-1	0	327.380	3.915	40	30		EHEBRM
CCN(CC)c1ccc(/N=C\c2ccccc2S(=O)(=O)[O-])cc1	ZINC000016920919	563825605	/nfs/dbraw/zinc/82/56/05/563825605.db2.gz	GMKXHMVNSQYBCT-AQTBWJFISA-N	-1	0	332.425	3.530	40	30		EHEBRM
N#Cc1c(-c2cccnc2)cc(-c2ccccc2)nc1SCC(=O)[O-]	ZINC000005338506	564002722	/nfs/dbraw/zinc/00/27/22/564002722.db2.gz	DQHMZXYBVHRPIZ-UHFFFAOYSA-N	-1	0	347.399	3.859	40	30		EHEBRM
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(C)c(Cl)c1	ZINC000100149627	219092290	/nfs/dbraw/zinc/09/22/90/219092290.db2.gz	MZIBDORFLAJUJZ-CAPFRKAQSA-N	-1	0	326.787	3.839	40	30		EHEBRM
O=c1ccc2cc(/N=C\c3cc(Cl)cc([N+](=O)[O-])c3[O-])ccc2o1	ZINC000016383653	211900334	/nfs/dbraw/zinc/90/03/34/211900334.db2.gz	VTOBHKDXRVTFLK-LSCVHKIXSA-N	-1	0	344.710	3.811	40	30		EHEBRM
N#Cc1c2[nH]c(=O)cc([O-])c2sc1SC/C=C/c1ccccc1	ZINC000004945725	210336235	/nfs/dbraw/zinc/33/62/35/210336235.db2.gz	RLILQTRUVSFVRI-QPJJXVBHSA-N	-1	0	340.429	3.972	40	30		EHEBRM
CCCCCOc1ccc(C(=O)/C(Br)=C/C(=O)[O-])cc1	ZINC000001697625	563404192	/nfs/dbraw/zinc/40/41/92/563404192.db2.gz	KPUGJSNAPAAEJB-RAXLEYEMSA-N	-1	0	341.201	3.802	40	30		EHEBRM
C#Cc1cccc(/N=C\c2cc([N+](=O)[O-])cc(Br)c2[O-])c1	ZINC000008659431	563634574	/nfs/dbraw/zinc/63/45/74/563634574.db2.gz	REOXBTOLFVBDQF-MFOYZWKCSA-N	-1	0	345.152	3.795	40	30		EHEBRM
C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC=C2CC(=O)[O-]	ZINC000013099022	563687575	/nfs/dbraw/zinc/68/75/75/563687575.db2.gz	QZBWVBCUNAJAMC-ZNRKGROKSA-N	-1	0	342.435	3.708	40	30	in-vitro	EHEBRM
Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2/C=N/[O-])cc1	ZINC000408939479	564008162	/nfs/dbraw/zinc/00/81/62/564008162.db2.gz	MSFZRHFXZFYNQM-XDHOZWIPSA-N	-1	0	341.388	3.724	40	30		EHEBRM
COc1cccc(/C=N\c2ccc(C)cc2C)c1O[C@H](C)C(=O)[O-]	ZINC000409240726	564011277	/nfs/dbraw/zinc/01/12/77/564011277.db2.gz	PNWURUDYAXCKHA-LPKQHDGYSA-N	-1	0	327.380	3.915	40	30		EHEBRM
COc1ccc(C=C2SC(=N)C(c3nccs3)=C2[O-])cc1C	ZINC000137552966	564130051	/nfs/dbraw/zinc/13/00/51/564130051.db2.gz	JMHSLFRCXPVMRF-CBZGGUPYSA-N	-1	0	330.434	3.878	40	30		EHEBRM
O=C([O-])c1cc(N/N=C2\Sc3ccccc3C2=O)ccc1Cl	ZINC000100930309	219111674	/nfs/dbraw/zinc/11/16/74/219111674.db2.gz	PZJKKUNECUBLDQ-JXAWBTAJSA-N	-1	0	332.768	3.752	40	30		EHEBRM
C=CCc1cc(/C=N\c2ccccc2F)cc(OC)c1OCC(=O)[O-]	ZINC000408811028	564007329	/nfs/dbraw/zinc/00/73/29/564007329.db2.gz	LQPIMHHZWAPKKN-NHDPSOOVSA-N	-1	0	343.354	3.777	40	30		EHEBRM
CC(=O)Nc1ccc(/N=C/c2cccn2-c2cccc(C(=O)[O-])c2)cc1	ZINC000409108433	564010153	/nfs/dbraw/zinc/01/01/53/564010153.db2.gz	TYSWSKNCHNCZGR-FYJGNVAPSA-N	-1	0	347.374	3.885	40	30		EHEBRM
COc1cccc(/C=N\c2ccc(C)cc2C)c1O[C@@H](C)C(=O)[O-]	ZINC000409240724	564011258	/nfs/dbraw/zinc/01/12/58/564011258.db2.gz	PNWURUDYAXCKHA-GNKPEBMXSA-N	-1	0	327.380	3.915	40	30		EHEBRM
CC(=O)Nc1ccc(/N=C/c2cccn2-c2ccc(C(=O)[O-])cc2)cc1	ZINC000409241038	564011329	/nfs/dbraw/zinc/01/13/29/564011329.db2.gz	WNZQBMOIQYURAD-FYJGNVAPSA-N	-1	0	347.374	3.885	40	30		EHEBRM
CCCCCC#CC[C@@H](O)/C=C/C=C/C=C\[C@@H](O)CCCC(=O)[O-]	ZINC000005978044	564057385	/nfs/dbraw/zinc/05/73/85/564057385.db2.gz	PRCVOEPTHWOJMX-CHHAPGPYSA-N	-1	0	334.456	3.606	40	30	in-vitro	EHEBRM
C=C[C@]1(C)C[C@H](O)[C@@]2(C1)CC[C@@H]1[C@](C)(C(=O)[O-])CCC[C@@]1(C)C2=O	ZINC000230107109	564154500	/nfs/dbraw/zinc/15/45/00/564154500.db2.gz	JSXYBZIRJXMIMK-NQYOZRFVSA-N	-1	0	334.456	3.580	40	30	biogenic,in-vitro	EHEBRM
CCOC(=O)c1ccc(/N=C/c2cc(C)cc([N+](=O)[O-])c2[O-])cc1	ZINC000003127257	564155307	/nfs/dbraw/zinc/15/53/07/564155307.db2.gz	RBSLPPVENVIAIA-VCHYOVAHSA-N	-1	0	328.324	3.536	40	30		EHEBRM
CC(C)C1=C[C@]2(O)CC[C@H]3[C@](C)(C(=O)[O-])CCC[C@]3(C)[C@@H]2CC1=O	ZINC000004726716	210261238	/nfs/dbraw/zinc/26/12/38/210261238.db2.gz	BDGVLOCEQIJJDJ-MEBIHWHUSA-N	-1	0	334.456	3.580	40	30	in-man	EHEBRM
CC(C)C1=C[C@@]2(O)CC[C@@H]3[C@](C)(C(=O)[O-])CCC[C@]3(C)[C@@H]2CC1=O	ZINC000004726719	210261076	/nfs/dbraw/zinc/26/10/76/210261076.db2.gz	BDGVLOCEQIJJDJ-HNULKUCHSA-N	-1	0	334.456	3.580	40	30	in-man	EHEBRM
C/C(=C\C(=O)c1c([O-])c2ccccc2n(C)c1=O)Nc1cccc(C)c1	ZINC000104826209	219424655	/nfs/dbraw/zinc/42/46/55/219424655.db2.gz	MJIURGQQKMHCOZ-WYMLVPIESA-N	-1	0	348.402	3.751	40	30		EHEBRM
COc1cccc(/C=N\c2ccc(Cl)cc2)c1O[C@H](C)C(=O)[O-]	ZINC000409231492	257873957	/nfs/dbraw/zinc/87/39/57/257873957.db2.gz	JJWAKFXUWDMSAD-XEQXHXIFSA-N	-1	0	333.771	3.951	40	30		EHEBRM
C[C@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC/C2=N/OCC(=O)[O-]	ZINC000100243716	563450975	/nfs/dbraw/zinc/45/09/75/563450975.db2.gz	UZKYYNQEKCAXLJ-WIMCWXLQSA-N	-1	0	343.423	3.706	40	30		EHEBRM
COc1cc(/C=N\c2ccc(C)cc2C)ccc1O[C@H](C)C(=O)[O-]	ZINC000409017125	564008964	/nfs/dbraw/zinc/00/89/64/564008964.db2.gz	FBJILXGTLCKYOG-LPKQHDGYSA-N	-1	0	327.380	3.915	40	30		EHEBRM
COc1cccc(/C=N/c2ccc(F)cc2F)c1O[C@H](C)C(=O)[O-]	ZINC000409241649	564011384	/nfs/dbraw/zinc/01/13/84/564011384.db2.gz	LASFMLNUBXZAQA-KTMXNEEYSA-N	-1	0	335.306	3.576	40	30		EHEBRM
CCOc1cccc(C=C2SC(=N)C(c3nccs3)=C2[O-])c1	ZINC000137890828	564130020	/nfs/dbraw/zinc/13/00/20/564130020.db2.gz	ATCAANUEASZKNH-JSUBLRMOSA-N	-1	0	330.434	3.960	40	30		EHEBRM
C[C@]12CC[C@@H]3[C@@H]4CCC(=O)C=C4CC[C@@H]3[C@H]1CC[C@]2(O)CCC(=O)[O-]	ZINC000263608495	1138332569	/nfs/dbraw/zinc/33/25/69/1138332569.db2.gz	UAEGJPGALHLJQP-ORJOSYTKSA-N	-1	0	346.467	3.724	40	30		EHEBRM
Cc1cccc2c1N(CCOc1cccc3ccccc31)C(=O)/C2=N\[O-]	ZINC000101101779	219116496	/nfs/dbraw/zinc/11/64/96/219116496.db2.gz	YDHYBEICXZEEPG-QOCHGBHMSA-N	-1	0	346.386	3.752	40	30		EHEBRM
Cc1cc([N-][NH+]=Cc2ccc(N(C)C)cc2)nc(-c2ccccc2[O-])n1	ZINC000005002986	210356931	/nfs/dbraw/zinc/35/69/31/210356931.db2.gz	DFRZEUBZUUBNOZ-FYJGNVAPSA-N	-1	0	347.422	3.670	40	30		EHEBRM
O=[N+]([O-])c1cc(Br)c([O-])c(/C=N/c2ccc(O)cc2)c1	ZINC000003196039	257868958	/nfs/dbraw/zinc/86/89/58/257868958.db2.gz	XNDHUCRXAPISGQ-VIZOYTHASA-N	-1	0	337.129	3.519	40	30		EHEBRM
O=[N+]([O-])c1cc(Br)c([O-])c(/C=N/c2ccc(F)cc2)c1	ZINC000003155832	563984400	/nfs/dbraw/zinc/98/44/00/563984400.db2.gz	ICMKOLPHECWMTG-FRKPEAEDSA-N	-1	0	339.120	3.953	40	30		EHEBRM
Cc1cc2c(cc1C=C1SC(=N)C(c3nccs3)=C1[O-])OCO2	ZINC000135735346	563999859	/nfs/dbraw/zinc/99/98/59/563999859.db2.gz	YNVWAPANMFEGPF-ZZTSCYLSSA-N	-1	0	344.417	3.598	40	30		EHEBRM
C=CCc1cc(/C=N\C2CCCCC2)cc(OC)c1OCC(=O)[O-]	ZINC000408850982	564007661	/nfs/dbraw/zinc/00/76/61/564007661.db2.gz	SSYYNBZBMJIEIU-NDENLUEZSA-N	-1	0	331.412	3.639	40	30		EHEBRM
COc1cc(/C=N\c2ccc(C)cc2C)ccc1O[C@@H](C)C(=O)[O-]	ZINC000409017120	564008974	/nfs/dbraw/zinc/00/89/74/564008974.db2.gz	FBJILXGTLCKYOG-GNKPEBMXSA-N	-1	0	327.380	3.915	40	30		EHEBRM
COc1cccc(/C=N/c2cccc(Cl)c2)c1O[C@@H](C)C(=O)[O-]	ZINC000409249300	564011330	/nfs/dbraw/zinc/01/13/30/564011330.db2.gz	SXQGQKZXGNBVEM-VSMYLPJWSA-N	-1	0	333.771	3.951	40	30		EHEBRM
CN(C)c1ccc(-n2cccc2/C=N/c2cccc(C(=O)[O-])c2)cc1	ZINC000138241353	564130044	/nfs/dbraw/zinc/13/00/44/564130044.db2.gz	NGGHHGXWALQJGC-KGENOOAVSA-N	-1	0	333.391	3.992	40	30		EHEBRM
CSc1ccc(-c2cc(C(=O)[O-])nn2-c2ccc(C#N)cc2)cc1	ZINC000002527287	209863842	/nfs/dbraw/zinc/86/38/42/209863842.db2.gz	SWUVSAXWIJQXFN-UHFFFAOYSA-N	-1	0	335.388	3.831	40	30		EHEBRM
CC1=C[C@@](C)(C(Cl)(Cl)Cl)C=C/C1=N/O[C@@H](C)C(=O)[O-]	ZINC000104126803	219349143	/nfs/dbraw/zinc/34/91/43/219349143.db2.gz	QZHVFVLGJNUPIE-DFBMINHKSA-N	-1	0	326.607	3.725	40	30		EHEBRM
C#Cc1cccc(/N=C\c2cc(Br)cc(OC)c2O)c1	ZINC000104222536	219362370	/nfs/dbraw/zinc/36/23/70/219362370.db2.gz	MPZLPXOHUIWEFJ-ZDLGFXPLSA-N	-1	0	330.181	3.895	40	30		EHEBRM
Nc1ccc(/N=C/c2cc(Cl)cc(Cl)c2[O-])c([N+](=O)[O-])c1	ZINC000005008359	210359941	/nfs/dbraw/zinc/35/99/41/210359941.db2.gz	HMGDCTAUHBGLNH-UBKPWBPPSA-N	-1	0	326.139	3.940	40	30		EHEBRM
CCc1nnc(C2=C([O-])C(=Cc3ccc(C)cc3)SC2=N)s1	ZINC000137830572	563976375	/nfs/dbraw/zinc/97/63/75/563976375.db2.gz	SJPFKRZWTGJODV-KIRBRQRLSA-N	-1	0	329.450	3.827	40	30		EHEBRM
C=CCc1cc(CO)cc(OCC)c1OCc1ccc(C(=O)[O-])cc1	ZINC000409112017	564010041	/nfs/dbraw/zinc/01/00/41/564010041.db2.gz	AKOSZKACNQGWAM-UHFFFAOYSA-N	-1	0	342.391	3.583	40	30		EHEBRM
CCc1n[n-]c(=S)n1N=Cc1ccccc1OCc1ccccc1	ZINC000005410301	564014012	/nfs/dbraw/zinc/01/40/12/564014012.db2.gz	NLJVRDJXYFMHDT-XDHOZWIPSA-N	-1	0	338.436	3.964	40	30		EHEBRM
CCc1nnc(C2=C([O-])C(=Cc3ccc(C)cc3)SC2=N)s1	ZINC000033740993	564034494	/nfs/dbraw/zinc/03/44/94/564034494.db2.gz	SJPFKRZWTGJODV-KCVJERJOSA-N	-1	0	329.450	3.827	40	30		EHEBRM
COc1ccc(C=C2SC(=N)C(c3nccs3)=C2[O-])c(C)c1	ZINC000035211614	564129917	/nfs/dbraw/zinc/12/99/17/564129917.db2.gz	WKPFMEULOFPKOV-IMFUVDMNSA-N	-1	0	330.434	3.878	40	30		EHEBRM
CC(C)C1=C[C@]2(O)CC[C@@H]3[C@](C)(C(=O)[O-])CCC[C@]3(C)[C@@H]2CC1=O	ZINC000004726718	574412356	/nfs/dbraw/zinc/41/23/56/574412356.db2.gz	BDGVLOCEQIJJDJ-FLFBIERCSA-N	-1	0	334.456	3.580	40	30	endogenous,in-man	EHEBRM
C=CCNC(=S)Nc1cc(/C=C/C(=O)[O-])cc(Cl)c1Cl	ZINC000216929987	241224594	/nfs/dbraw/zinc/22/45/94/241224594.db2.gz	SKFDQVBBYRSSCK-ONEGZZNKSA-N	-1	0	331.224	3.564	40	30		EHEBRM
O=C([O-])c1ccc(C=NNC(=Nc2ccccc2)c2ccccn2)cc1	ZINC000001958590	563417272	/nfs/dbraw/zinc/41/72/72/563417272.db2.gz	DNEKRRUPMDZLAS-HYARGMPZSA-N	-1	0	344.374	3.673	40	30		EHEBRM
Cc1cc(/N=C\c2ccc(O[C@H](C)C(=O)[O-])cc2)cc([N+](=O)[O-])c1C	ZINC000408818205	564007416	/nfs/dbraw/zinc/00/74/16/564007416.db2.gz	PEWJCTGRJZHTAN-XTBHVRTMSA-N	-1	0	342.351	3.814	40	30		EHEBRM
C=CCc1cc(/C=N/c2ccc(F)cc2)cc(OC)c1OCC(=O)[O-]	ZINC000408851618	564007575	/nfs/dbraw/zinc/00/75/75/564007575.db2.gz	DKUKYAKLLMINPS-SRZZPIQSSA-N	-1	0	343.354	3.777	40	30		EHEBRM
CCOc1cc(/C=N/[O-])ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000013747115	564020672	/nfs/dbraw/zinc/02/06/72/564020672.db2.gz	FRXVLLGIWBPWCB-CXUHLZMHSA-N	-1	0	347.283	3.502	40	30		EHEBRM
O=C([O-])c1ccc(N/N=C2\Sc3ccccc3C2=O)cc1Cl	ZINC000100930290	219111579	/nfs/dbraw/zinc/11/15/79/219111579.db2.gz	ZRXSZRGTURZIST-JXAWBTAJSA-N	-1	0	332.768	3.752	40	30		EHEBRM
COc1ccc(-n2cccc2/C=N\c2ccc(O)c(C(=O)[O-])c2)cc1	ZINC000408854565	564007682	/nfs/dbraw/zinc/00/76/82/564007682.db2.gz	ILQUITTZFHFXEV-NDENLUEZSA-N	-1	0	336.347	3.640	40	30		EHEBRM
N#Cc1ccc(/N=C/c2cc(Br)cc([N+](=O)[O-])c2[O-])cc1	ZINC000409095504	564009661	/nfs/dbraw/zinc/00/96/61/564009661.db2.gz	ICHMOEQYCGBPSC-CAOOACKPSA-N	-1	0	346.140	3.685	40	30		EHEBRM
CN(C)c1ccc(/N=C\c2cccn2-c2cccc(C(=O)[O-])c2)cc1	ZINC000409104965	564009949	/nfs/dbraw/zinc/00/99/49/564009949.db2.gz	HCUXMBWLFIZVKB-STZFKDTASA-N	-1	0	333.391	3.992	40	30		EHEBRM
CC(C)[C@]1(O)C=C2C(=O)C[C@H]3[C@](C)(C(=O)[O-])CCC[C@]3(C)[C@H]2CC1	ZINC000013303397	564019734	/nfs/dbraw/zinc/01/97/34/564019734.db2.gz	UFEHYRPBLFGEJW-RDWNTVFTSA-N	-1	0	334.456	3.580	40	30	biogenic,in-vitro	EHEBRM
O=[N+]([O-])c1cc(Br)c([O-])c(/C=N\c2ccccc2O)c1	ZINC000113858312	564019736	/nfs/dbraw/zinc/01/97/36/564019736.db2.gz	LZVIOLJVLGZWGU-CHHVJCJISA-N	-1	0	337.129	3.519	40	30		EHEBRM
COc1cc(C=Nn2c(=S)[n-]nc2C2CCCCC2)ccc1O	ZINC000001246178	564065598	/nfs/dbraw/zinc/06/55/98/564065598.db2.gz	HHAYYRULDOKMGA-YVLHZVERSA-N	-1	0	332.429	3.585	40	30		EHEBRM
C=C1CC[C@H]2[C@](C)(C(=O)[O-])CCC[C@@]2(C)[C@H]1CC[C@H](CO)CCO	ZINC000013330438	564073791	/nfs/dbraw/zinc/07/37/91/564073791.db2.gz	NMJFUGHUXVDUIU-VBYALHQYSA-N	-1	0	338.488	3.621	40	30		EHEBRM
CCOc1ccc(C=C2SC(=N)C(c3nccs3)=C2[O-])cc1	ZINC000107674348	564129950	/nfs/dbraw/zinc/12/99/50/564129950.db2.gz	QDPVMHBRBVVWRI-UXNXJPNTSA-N	-1	0	330.434	3.960	40	30		EHEBRM
CN(C)c1ccc(-n2cccc2/C=N/Cc2ccc(C(=O)[O-])cc2)cc1	ZINC000166274275	564130061	/nfs/dbraw/zinc/13/00/61/564130061.db2.gz	JSRLOPVSAPYPPE-PXLXIMEGSA-N	-1	0	347.418	3.861	40	30		EHEBRM
O=c1oc2ccccc2c([O-])c1C=Nc1nc(-c2ccccc2)cs1	ZINC000102938674	219242518	/nfs/dbraw/zinc/24/25/18/219242518.db2.gz	NFEJOVMORBJJEV-GXDHUFHOSA-N	-1	0	348.383	3.908	40	30		EHEBRM
O=C([O-])COc1ccc(/C=N/c2ccccc2)cc1Br	ZINC000409208313	257874279	/nfs/dbraw/zinc/87/42/79/257874279.db2.gz	ANWWPYFAWDDVLI-RQZCQDPDSA-N	-1	0	334.169	3.663	40	30		EHEBRM
C=CCn1c(CSc2ccc(C)cc2)nnc1S[C@@H](C)C(=O)[O-]	ZINC000026469506	258005632	/nfs/dbraw/zinc/00/56/32/258005632.db2.gz	WDQSAYFRAMDKPY-LBPRGKRZSA-N	-1	0	349.481	3.630	40	30		EHEBRM
O=C([O-])[C@H](Cc1ccccc1)NC=CC(=O)c1ccc2ccccc2c1	ZINC000016478692	563812493	/nfs/dbraw/zinc/81/24/93/563812493.db2.gz	NQWLFYMNKHYDSB-CBUFDYBVSA-N	-1	0	345.398	3.822	40	30		EHEBRM
COc1ccc(C=Nn2c(=S)[n-]nc2-c2ccccc2)cc1OC	ZINC000001308333	564003132	/nfs/dbraw/zinc/00/31/32/564003132.db2.gz	DQZNQMXVSLTZME-WQRHYEAKSA-N	-1	0	340.408	3.507	40	30		EHEBRM
Cc1ccc(/N=C\c2ccc(O[C@@H](C)C(=O)[O-])cc2)cc1[N+](=O)[O-]	ZINC000408819383	564007430	/nfs/dbraw/zinc/00/74/30/564007430.db2.gz	RRJRUKDBIGVINQ-XACIZNRCSA-N	-1	0	328.324	3.506	40	30		EHEBRM
O=[N+]([O-])c1cc(Br)cc(/C=N\c2ccccc2F)c1[O-]	ZINC000409086211	564009700	/nfs/dbraw/zinc/00/97/00/564009700.db2.gz	GLYYFXQTUHNRCA-APSNUPSMSA-N	-1	0	339.120	3.953	40	30		EHEBRM
N=C1SC(=Cc2cc(Cl)ccc2O)C([O-])=C1c1nccs1	ZINC000033608362	564050182	/nfs/dbraw/zinc/05/01/82/564050182.db2.gz	SAJAMBUXNPCJOO-JHLMFHBZSA-N	-1	0	336.825	3.920	40	30		EHEBRM
Cc1nc(N)c(C#N)c(-c2ccc([O-])c([N+](=O)[O-])c2)c1-c1ccccc1	ZINC000408981575	564133675	/nfs/dbraw/zinc/13/36/75/564133675.db2.gz	VVQAFJOXYWOTCT-UHFFFAOYSA-N	-1	0	346.346	3.622	40	30		EHEBRM
CCCCCCCCNS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1	ZINC000226856220	564153339	/nfs/dbraw/zinc/15/33/39/564153339.db2.gz	ZIWPODVDIQYKSW-UHFFFAOYSA-N	-1	0	347.864	3.677	40	30		EHEBRM
CCCCCOc1ccc(C(=O)/C(Br)=C\C(=O)[O-])cc1	ZINC000004474646	210197053	/nfs/dbraw/zinc/19/70/53/210197053.db2.gz	KPUGJSNAPAAEJB-JLHYYAGUSA-N	-1	0	341.201	3.802	40	30		EHEBRM
C=CC(C)(C)c1c2oc(=O)ccc2c([O-])c2c1OC(C)(C)CC2=O	ZINC000003641074	210070351	/nfs/dbraw/zinc/07/03/51/210070351.db2.gz	RDROOFQFFWIIDK-UHFFFAOYSA-N	-1	0	328.364	3.706	40	30	biogenic,in-vitro	EHEBRM
Cc1ccccc1-c1n[n-]c(=S)n1N=Cc1ccccc1[N+](=O)[O-]	ZINC000006056328	210583069	/nfs/dbraw/zinc/58/30/69/210583069.db2.gz	XQMNVXAZJQDAMO-LICLKQGHSA-N	-1	0	339.380	3.707	40	30		EHEBRM
COc1ccc(C=Nn2c(=S)[n-]nc2C2CCCCC2)cc1OC	ZINC000001244431	563381303	/nfs/dbraw/zinc/38/13/03/563381303.db2.gz	MMGOAOOTTICGBZ-WQRHYEAKSA-N	-1	0	346.456	3.888	40	30		EHEBRM
O=C([O-])c1ccccc1-c1ccc(C=NN=c2[nH]c3ccccc3[nH]2)o1	ZINC000408727988	563629057	/nfs/dbraw/zinc/62/90/57/563629057.db2.gz	HIUDRODXJUGQQZ-RGVLZGJSSA-N	-1	0	346.346	3.967	40	30		EHEBRM
COc1cc(C=C2SC(=N)C(c3nccs3)=C2[O-])ccc1C	ZINC000107821380	564129980	/nfs/dbraw/zinc/12/99/80/564129980.db2.gz	UAHRAOIWCGILIP-IMFUVDMNSA-N	-1	0	330.434	3.878	40	30		EHEBRM
C[C@]12CC[C@@H]3[C@@H]4CCC(=O)C=C4CC[C@@H]3[C@H]1CC[C@@]2(O)CCC(=O)[O-]	ZINC000263608494	1138332593	/nfs/dbraw/zinc/33/25/93/1138332593.db2.gz	UAEGJPGALHLJQP-LRXQYKGQSA-N	-1	0	346.467	3.724	40	30		EHEBRM
O=C([O-])c1ccc(Cl)c(N/N=C2\Sc3ccccc3C2=O)c1	ZINC000100930325	219111979	/nfs/dbraw/zinc/11/19/79/219111979.db2.gz	HYXMFQIHWOWMGV-JXAWBTAJSA-N	-1	0	332.768	3.752	40	30		EHEBRM
COc1cccc(C=Nn2c(=S)[n-]nc2-c2ccccc2)c1OC	ZINC000001241089	563381002	/nfs/dbraw/zinc/38/10/02/563381002.db2.gz	IBHRRZQEQACVTP-WQRHYEAKSA-N	-1	0	340.408	3.507	40	30		EHEBRM
COc1ccc(/C=N/c2ccc(Br)cc2)cc1C(=O)[O-]	ZINC000005527223	563537385	/nfs/dbraw/zinc/53/73/85/563537385.db2.gz	DNTYNPXOIGYEKU-RQZCQDPDSA-N	-1	0	334.169	3.907	40	30		EHEBRM
C[C@@H]1CCC[C@H](C(=O)/C(=C/c2cccc(Cl)c2)C(=O)C(=O)[O-])C1	ZINC000005722648	563547312	/nfs/dbraw/zinc/54/73/12/563547312.db2.gz	WXZJANUZVNOTHQ-UQZAJDFTSA-N	-1	0	334.799	3.773	40	30		EHEBRM
CC1=C[C@](C)(C(Cl)(Cl)Cl)C=C/C1=N/O[C@@H](C)C(=O)[O-]	ZINC000016952832	563826858	/nfs/dbraw/zinc/82/68/58/563826858.db2.gz	QZHVFVLGJNUPIE-HGJHSMAXSA-N	-1	0	326.607	3.725	40	30		EHEBRM
Cc1ccc(/N=C/c2ccc(O[C@@H](C)C(=O)[O-])cc2)c([N+](=O)[O-])c1	ZINC000039557327	563900222	/nfs/dbraw/zinc/90/02/22/563900222.db2.gz	PZIAJISLLGIDCM-NNLQFVHNSA-N	-1	0	328.324	3.506	40	30		EHEBRM
C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)[O-])[C@H]1CC/C(=C\CO)CO	ZINC000013329932	564019687	/nfs/dbraw/zinc/01/96/87/564019687.db2.gz	UTBCORIJXVSSBE-BDJGNRKISA-N	-1	0	336.472	3.541	40	30	biogenic,in-vitro	EHEBRM
COc1ccc(C=C2SC(=N)C(c3nccs3)=C2[O-])cc1OC	ZINC000137921118	564130016	/nfs/dbraw/zinc/13/00/16/564130016.db2.gz	IQIXWNOJYDRKTK-CBZGGUPYSA-N	-1	0	346.433	3.578	40	30		EHEBRM
CC(=NNc1ccc(Cl)cc1)/C(=N\[O-])C(=O)Nc1ccccc1C	ZINC000216875157	241218192	/nfs/dbraw/zinc/21/81/92/241218192.db2.gz	PFCHWJUTUHTBNS-SBWXTIMHSA-N	-1	0	344.802	3.905	40	30		EHEBRM
O=C([N-]S(=O)(=O)c1ccc2ccccc2c1)C1[C@@H]2CCCC[C@H]12	ZINC000080378045	217301634	/nfs/dbraw/zinc/30/16/34/217301634.db2.gz	POHMGLVYFQWSSG-SJPCQFCGSA-N	-1	0	329.421	3.921	40	30		EHEBRM
CC(C)C(=O)Nc1cccc(/N=C/c2cccc([N+](=O)[O-])c2[O-])c1	ZINC000005841534	563552144	/nfs/dbraw/zinc/55/21/44/563552144.db2.gz	DLSCNUOJTGLOSN-VCHYOVAHSA-N	-1	0	327.340	3.646	40	30		EHEBRM
COc1cccc(C=C2SC(=N)C(c3nccs3)=C2[O-])c1OC	ZINC000035351292	563561250	/nfs/dbraw/zinc/56/12/50/563561250.db2.gz	BSLNOSQBNSMXEP-DFIOEADNSA-N	-1	0	346.433	3.578	40	30		EHEBRM
O=S(=O)(Oc1c(Cl)cc(Cl)cc1/C=N/[O-])c1ccccc1	ZINC000409072220	564009484	/nfs/dbraw/zinc/00/94/84/564009484.db2.gz	JIGHIKOHBFGDTE-LZYBPNLTSA-N	-1	0	346.191	3.569	40	30		EHEBRM
CC(C)[C@]1(O)C=C2C(=O)C[C@@H]3[C@](C)(C(=O)[O-])CCC[C@]3(C)[C@H]2CC1	ZINC000049180608	564032676	/nfs/dbraw/zinc/03/26/76/564032676.db2.gz	UFEHYRPBLFGEJW-VTGOLOIOSA-N	-1	0	334.456	3.580	40	30	biogenic,in-vitro	EHEBRM
O=[N+]([O-])c1ccc([O-])c(/C=N/c2c(-c3ccco3)nc3ccccn32)c1	ZINC000038178113	564129939	/nfs/dbraw/zinc/12/99/39/564129939.db2.gz	RBHABRJIXLTTQV-YBFXNURJSA-N	-1	0	348.318	3.959	40	30		EHEBRM
O=[N+]([O-])c1cccc(C=NNc2cccc(C(F)(F)F)c2)c1[O-]	ZINC000035188467	213013625	/nfs/dbraw/zinc/01/36/25/213013625.db2.gz	GOXDARKVXZAZKK-QGMBQPNBSA-N	-1	0	325.246	3.765	40	30		EHEBRM
N#CC(=C([O-])C(=O)Nc1ccc(Cl)c(Cl)c1)c1ccccc1	ZINC000001614098	563396502	/nfs/dbraw/zinc/39/65/02/563396502.db2.gz	NSMSMAQCSOUXTR-GFCCVEGCSA-N	-1	0	333.174	3.808	40	30		EHEBRM
C=CCc1cc(/C=N/c2ccccc2)cc(OC)c1OCC(=O)[O-]	ZINC000408856622	564007641	/nfs/dbraw/zinc/00/76/41/564007641.db2.gz	KWYDQWRLTFWGDR-UDWIEESQSA-N	-1	0	325.364	3.638	40	30		EHEBRM
COC(=O)c1cccc(/N=C\c2cccn2-c2cccc(C(=O)[O-])c2)c1	ZINC000409090100	564009710	/nfs/dbraw/zinc/00/97/10/564009710.db2.gz	QOPMESIJWZURHO-BKUYFWCQSA-N	-1	0	348.358	3.713	40	30		EHEBRM
O=C([O-])c1cccc(-n2cccc2/C=N\c2ccc3c(c2)OCO3)c1	ZINC000409115155	564010378	/nfs/dbraw/zinc/01/03/78/564010378.db2.gz	KOZLJBVDCKXPQU-JAIQZWGSSA-N	-1	0	334.331	3.655	40	30		EHEBRM
COc1ccc(OC)c(C=C2SC(=N)C(c3nccs3)=C2[O-])c1	ZINC000033557053	564129913	/nfs/dbraw/zinc/12/99/13/564129913.db2.gz	HCBQZKHFYHNTBG-IMFUVDMNSA-N	-1	0	346.433	3.578	40	30		EHEBRM
CN(C)c1ccc(C=C2SC(=N)C(c3nccs3)=C2[O-])cc1	ZINC000107980828	564129985	/nfs/dbraw/zinc/12/99/85/564129985.db2.gz	HVGGUNMDGCIKCX-UXNXJPNTSA-N	-1	0	329.450	3.627	40	30		EHEBRM
CC/C=C\C[C@@H](O)/C=C/[C@H]1C=CC(=O)[C@H]1C/C=C\CCCC(=O)[O-]	ZINC000027639204	520201949	/nfs/dbraw/zinc/20/19/49/520201949.db2.gz	KSIRMUMXJFWKAC-PAQJAINYSA-N	-1	0	332.440	3.832	40	30	in-vitro	EHEBRM
CC(C)[C@]1(O)C=C2C(=O)C[C@@H]3[C@](C)(C(=O)[O-])CCC[C@]3(C)[C@@H]2CC1	ZINC000049180606	564032661	/nfs/dbraw/zinc/03/26/61/564032661.db2.gz	UFEHYRPBLFGEJW-YYEFJNLCSA-N	-1	0	334.456	3.580	40	30	biogenic,in-vitro	EHEBRM
COc1ccc(Cl)cc1/N=C/c1ccc(O[C@@H](C)C(=O)[O-])cc1	ZINC000059249168	564050578	/nfs/dbraw/zinc/05/05/78/564050578.db2.gz	DTPHXEVRPZERQW-VSMYLPJWSA-N	-1	0	333.771	3.951	40	30		EHEBRM
C=C[C@]1(C)C[C@H](O)[C@@]2(C1)CC[C@H]1[C@@](C)(CCC[C@]1(C)C(=O)[O-])C2=O	ZINC000229774768	242197544	/nfs/dbraw/zinc/19/75/44/242197544.db2.gz	JSXYBZIRJXMIMK-ABYZYQIESA-N	-1	0	334.456	3.580	40	30	biogenic,in-vitro	EHEBRM
Cc1ccc(S(=O)(=O)[N-]c2ccccc2/N=C/c2ccc[nH]2)cc1	ZINC000004980099	210347942	/nfs/dbraw/zinc/34/79/42/210347942.db2.gz	HOEWBIJCMRYCIC-DEDYPNTBSA-N	-1	0	339.420	3.875	40	30		EHEBRM
O=C([O-])[C@@H](Cc1ccccc1)NC=CC(=O)c1cccc2ccccc21	ZINC000016478695	527648006	/nfs/dbraw/zinc/64/80/06/527648006.db2.gz	BWVCHFWQJMSMFQ-CLEWGBKMSA-N	-1	0	345.398	3.822	40	30		EHEBRM
CCOc1cccc(C=Nn2c(=S)[n-]nc2C2CCCCC2)c1O	ZINC000001244959	563381325	/nfs/dbraw/zinc/38/13/25/563381325.db2.gz	XXCXUOWYAHMPLX-WQRHYEAKSA-N	-1	0	346.456	3.975	40	30		EHEBRM
C=CCc1cc(/C=N/c2cc([N+](=O)[O-])ccc2[O-])cc(OCC)c1O	ZINC000059678881	564050952	/nfs/dbraw/zinc/05/09/52/564050952.db2.gz	LZKAFIOVVLZGBE-YBFXNURJSA-N	-1	0	342.351	3.884	40	30		EHEBRM
N#Cc1c2[nH]c3ccccc3n2c(=O)c(N=Nc2ccccc2F)c1[O-]	ZINC000102982400	219245919	/nfs/dbraw/zinc/24/59/19/219245919.db2.gz	CJOWPQVPMVYIOL-GHVJWSGMSA-N	-1	0	347.309	3.913	40	30		EHEBRM
CC(=NNc1ccc(Cl)cc1)/C(=N\[O-])C(=O)Nc1ccccc1	ZINC000020366599	212123715	/nfs/dbraw/zinc/12/37/15/212123715.db2.gz	OCSXNUCRKIXDNA-WFSBFUJCSA-N	-1	0	330.775	3.597	40	30		EHEBRM
COc1ccc(/N=C/c2ccc(O[C@H](C)C(=O)[O-])cc2)cc1Cl	ZINC000059249868	564050570	/nfs/dbraw/zinc/05/05/70/564050570.db2.gz	XJDCDIIKUZTMFO-VURRPDKYSA-N	-1	0	333.771	3.951	40	30		EHEBRM
CN(C)c1ccc(-n2cccc2/C=N\c2ccc(O)c(C(=O)[O-])c2)cc1	ZINC000096480130	564129920	/nfs/dbraw/zinc/12/99/20/564129920.db2.gz	XYFJPJVBBZGIMG-BKUYFWCQSA-N	-1	0	349.390	3.698	40	30		EHEBRM
C[C@@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC/C2=N/OCC(=O)[O-]	ZINC000100243706	219095107	/nfs/dbraw/zinc/09/51/07/219095107.db2.gz	UZKYYNQEKCAXLJ-PPJOCQCCSA-N	-1	0	343.423	3.706	40	30		EHEBRM
CC(C)(O)C1=CC2=CC[C@H]3[C@](C)(C(=O)[O-])CCC[C@]3(C)[C@H]2CC1=O	ZINC000039560166	213241379	/nfs/dbraw/zinc/24/13/79/213241379.db2.gz	CUXCAMYFFUWHQV-GSJUVLCZSA-N	-1	0	332.440	3.500	40	30	biogenic,in-vitro	EHEBRM
C=C[C@@]1(C)C[C@H](O)[C@]2(C1)CC[C@H]1[C@](C)(C(=O)[O-])CCC[C@]1(C)C2=O	ZINC000072320544	216148815	/nfs/dbraw/zinc/14/88/15/216148815.db2.gz	JSXYBZIRJXMIMK-RHOFUAETSA-N	-1	0	334.456	3.580	40	30	biogenic,in-vitro	EHEBRM
C=C1CC[C@H]2[C@](C)(C(=O)[O-])CCC[C@]2(C)[C@H]1CC[C@H](CO)CCO	ZINC000013330440	211547228	/nfs/dbraw/zinc/54/72/28/211547228.db2.gz	NMJFUGHUXVDUIU-OCBLOMHFSA-N	-1	0	338.488	3.621	40	30		EHEBRM
O=C([O-])c1ccc(NC=CC(=O)c2ccc(Br)cc2)cc1	ZINC000008572904	210968919	/nfs/dbraw/zinc/96/89/19/210968919.db2.gz	GULSCHRYWHQMAS-KTKRTIGZSA-N	-1	0	346.180	3.956	40	30		EHEBRM
C=C1C(=NNc2cc(C)c(C)cc2[N+](=O)[O-])C(=O)N=C([O-])C1C#N	ZINC000006295196	210613346	/nfs/dbraw/zinc/61/33/46/210613346.db2.gz	YUUCEPYLPNUUEO-VHEBQXMUSA-N	-1	0	327.300	3.613	40	30		EHEBRM
CCCOC(=O)c1ccc(/N=C/c2cc(C)cc([N+](=O)[O-])c2[O-])cc1	ZINC000006398341	520221290	/nfs/dbraw/zinc/22/12/90/520221290.db2.gz	XUVRJEIFZXEJKD-YBFXNURJSA-N	-1	0	342.351	3.926	40	30		EHEBRM
O=S(=O)(Oc1ccc(Cl)cc1/C=N/[O-])c1ccc(Cl)cc1	ZINC000409065301	564009363	/nfs/dbraw/zinc/00/93/63/564009363.db2.gz	HMKBABIOMMLJAT-LZYBPNLTSA-N	-1	0	346.191	3.569	40	30		EHEBRM
COc1cccc(/C=N/c2ccc(F)c(C)c2)c1O[C@H](C)C(=O)[O-]	ZINC000409221170	564011213	/nfs/dbraw/zinc/01/12/13/564011213.db2.gz	LXLGZRTWZVWESX-HMASQMOLSA-N	-1	0	331.343	3.745	40	30		EHEBRM
CCOc1cc(/C=C2\Cc3ccccc3C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000409371463	564011913	/nfs/dbraw/zinc/01/19/13/564011913.db2.gz	JUZMKZIEFSSFCJ-NTUHNPAUSA-N	-1	0	325.320	3.522	40	30		EHEBRM
CCOc1cc(/C=N/NCc2ccccc2OC)cc(Cl)c1O	ZINC000020761565	564033383	/nfs/dbraw/zinc/03/33/83/564033383.db2.gz	PIPYMNCRWHQBCJ-VXLYETTFSA-N	-1	0	334.803	3.577	40	30		EHEBRM
CCCCCCCCCCCCCC(=O)N1C[C@H](O)C[C@H]1C(=O)[O-]	ZINC000059048055	564061856	/nfs/dbraw/zinc/06/18/56/564061856.db2.gz	FMCWJWOZWODMSK-SJORKVTESA-N	-1	0	341.492	3.734	40	30		EHEBRM
Cc1cc(/C=N/c2ccccc2N2CCCC2)c([O-])c([N+](=O)[O-])c1	ZINC000004641729	210237467	/nfs/dbraw/zinc/23/74/67/210237467.db2.gz	MTWWIXYMIVRDIX-XDHOZWIPSA-N	-1	0	325.368	3.960	40	30		EHEBRM
Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1ccc([N+](=O)[O-])cc1C	ZINC000408743156	563640008	/nfs/dbraw/zinc/64/00/08/563640008.db2.gz	ZMICCYMULCQSNB-ZVCOJXFSSA-N	-1	0	336.351	3.644	40	30		EHEBRM
COc1cccc(C=Nc2ccc(C(C)=O)cc2)c1O[C@@H](C)C(=O)[O-]	ZINC000409244697	564011315	/nfs/dbraw/zinc/01/13/15/564011315.db2.gz	HJUWQGUBWRFVFA-HSWQHBDASA-N	-1	0	341.363	3.500	40	30		EHEBRM
Cc1cc([N+](=O)[O-])ccc1/N=C/c1ccc(OCC(=O)[O-])c(Cl)c1	ZINC000059678735	564050974	/nfs/dbraw/zinc/05/09/74/564050974.db2.gz	NQHNXSJAUFITNJ-QGMBQPNBSA-N	-1	0	348.742	3.771	40	30		EHEBRM
Cc1ccccc1OCCCN1c2ccc(Cl)cc2/C(=N/[O-])C1=O	ZINC000101102040	219116071	/nfs/dbraw/zinc/11/60/71/219116071.db2.gz	FRHXNZJPMWOBNX-JZJYNLBNSA-N	-1	0	344.798	3.642	40	30		EHEBRM
COc1cccc(/C=N\c2ccc(O)c(C(=O)[O-])c2)c1OC(C)C	ZINC000409013125	257882751	/nfs/dbraw/zinc/88/27/51/257882751.db2.gz	MNWGLXXQMZIIAC-GRSHGNNSSA-N	-1	0	329.352	3.637	40	30		EHEBRM
COc1ccc(C([O-])=CC(=O)C(F)(F)C(F)(F)C(F)(F)F)cc1	ZINC000100041989	523574765	/nfs/dbraw/zinc/57/47/65/523574765.db2.gz	NAAZVBWIBHEFHC-UHFFFAOYSA-N	-1	0	346.198	3.670	40	30		EHEBRM
Cc1cccc2c1nc1[n-]c(NN=Cc3c[nH]c4ccccc34)nnc2-1	ZINC000015016450	563772673	/nfs/dbraw/zinc/77/26/73/563772673.db2.gz	BTOLSTRXVLRDER-UFFVCSGVSA-N	-1	0	341.378	3.742	40	30		EHEBRM
[O-]/N=C(\CC(O)(C(F)(F)F)C(F)(F)F)c1cccc(Cl)c1	ZINC000017249167	563841377	/nfs/dbraw/zinc/84/13/77/563841377.db2.gz	GVPYPKOPSXHWPD-UFWORHAWSA-N	-1	0	335.631	3.764	40	30		EHEBRM
CCOc1cc(C=C2SC(=N)C(c3nccs3)=C2[O-])ccc1O	ZINC000136311828	564000078	/nfs/dbraw/zinc/00/00/78/564000078.db2.gz	KKFYXPXGPHOXND-CBZGGUPYSA-N	-1	0	346.433	3.665	40	30		EHEBRM
COc1cccc(/C=N\c2ccc(Cl)cc2O)c1O[C@@H](C)C(=O)[O-]	ZINC000409233902	564011283	/nfs/dbraw/zinc/01/12/83/564011283.db2.gz	UNJGBDVKEVBAEM-OVNPTBDBSA-N	-1	0	349.770	3.657	40	30		EHEBRM
C[C@H]1CCc2c(sc(NC(=O)[C@H]3CCCC[C@@H]3C(=O)[O-])c2C#N)C1	ZINC000006253632	564083272	/nfs/dbraw/zinc/08/32/72/564083272.db2.gz	DXOWYLQBEZIRSU-DRZSPHRISA-N	-1	0	346.452	3.574	40	30		EHEBRM
C=CCOc1c(Br)c(Br)sc1C(=O)[O-]	ZINC000028886743	564152806	/nfs/dbraw/zinc/15/28/06/564152806.db2.gz	PNSCNFADQPYGSW-UHFFFAOYSA-N	-1	0	342.008	3.536	40	30		EHEBRM
CC(C)C1=C[C@@]2(O)CC[C@H]3[C@](C)(C(=O)[O-])CCC[C@]3(C)[C@@H]2CC1=O	ZINC000004726717	210261916	/nfs/dbraw/zinc/26/19/16/210261916.db2.gz	BDGVLOCEQIJJDJ-QVHQYWGISA-N	-1	0	334.456	3.580	40	30	in-man	EHEBRM
COc1cccc(C=Nn2c(=S)[n-]nc2-c2ccc(C)cc2)c1O	ZINC000054360515	214232509	/nfs/dbraw/zinc/23/25/09/214232509.db2.gz	QWIBZTLNGHBCHO-ZDLGFXPLSA-N	-1	0	340.408	3.513	40	30		EHEBRM
O=[N+]([O-])c1cc(/C=N/NCc2c(Cl)cccc2Cl)ccc1[O-]	ZINC000037390763	213143824	/nfs/dbraw/zinc/14/38/24/213143824.db2.gz	HIOQVQFOAMPOPP-REZTVBANSA-N	-1	0	340.166	3.731	40	30		EHEBRM
CN(C)c1ccc(/N=C\c2cccn2-c2ccc(C(=O)[O-])cc2)cc1	ZINC000408931942	262505520	/nfs/dbraw/zinc/50/55/20/262505520.db2.gz	ABNWOHJCKJXHJF-STZFKDTASA-N	-1	0	333.391	3.992	40	30		EHEBRM
N#Cc1ccc(/N=C/c2ccc([O-])c(I)c2)cc1	ZINC000408904864	564007891	/nfs/dbraw/zinc/00/78/91/564007891.db2.gz	PSBKVOHAWKBZDD-RQZCQDPDSA-N	-1	0	348.143	3.619	40	30		EHEBRM
CN(C)c1ccc(-n2cccc2/C=N/c2ccc(C(=O)[O-])cc2)cc1	ZINC000408949313	564008231	/nfs/dbraw/zinc/00/82/31/564008231.db2.gz	AVAJGHCHVKIDJJ-KGENOOAVSA-N	-1	0	333.391	3.992	40	30		EHEBRM
CCOc1cc2c(cc1/C=N\c1cc(C(=O)[O-])ccc1Cl)OCO2	ZINC000409099859	564009906	/nfs/dbraw/zinc/00/99/06/564009906.db2.gz	MCINZBCFCTYTRU-UWVJOHFNSA-N	-1	0	347.754	3.916	40	30		EHEBRM
COc1ccc(/N=C\c2cc(C)n(-c3ccccc3C(=O)[O-])c2C)cn1	ZINC000409207824	564010995	/nfs/dbraw/zinc/01/09/95/564010995.db2.gz	ATBCNOAOCXIDFD-NHDPSOOVSA-N	-1	0	349.390	3.947	40	30		EHEBRM
N#Cc1c(/N=C/c2cccc([N+](=O)[O-])c2[O-])sc2c1CCCC2	ZINC000059418836	564050710	/nfs/dbraw/zinc/05/07/10/564050710.db2.gz	NLELQAAZXKBTTC-GIJQJNRQSA-N	-1	0	327.365	3.863	40	30		EHEBRM
CCOc1ccc(/N=C/c2cc(OCC)c([O-])c([N+](=O)[O-])c2)cc1	ZINC000006962318	564126414	/nfs/dbraw/zinc/12/64/14/564126414.db2.gz	YOIQAHRXWOBKIY-WOJGMQOQSA-N	-1	0	330.340	3.848	40	30		EHEBRM
CC(C)Oc1ccc(C(=O)C=CNc2ccc(C(=O)[O-])cc2)cc1	ZINC000033623972	1042916654	/nfs/dbraw/zinc/91/66/54/1042916654.db2.gz	VVXCIJKKNSOTPI-VAWYXSNFSA-N	-1	0	325.364	3.981	40	30		EHEBRM
C=C[C@]1(C)C[C@H](O)[C@@]2(C1)CC[C@@H]1[C@@](C)(C(=O)[O-])CCC[C@]1(C)C2=O	ZINC000252505297	519304884	/nfs/dbraw/zinc/30/48/84/519304884.db2.gz	JSXYBZIRJXMIMK-NRQJVULDSA-N	-1	0	334.456	3.580	40	30	biogenic,in-vitro	EHEBRM
CC(C)c1n[n-]c(=S)n1N=Cc1ccccc1Br	ZINC000006240274	563562346	/nfs/dbraw/zinc/56/23/46/563562346.db2.gz	CLTMCRIVMGRKDJ-VGOFMYFVSA-N	-1	0	325.235	3.709	40	30		EHEBRM
O=[N+]([O-])c1cccc(C=Nn2c(=S)[n-]nc2C2CCCCC2)c1	ZINC000013110338	563688201	/nfs/dbraw/zinc/68/82/01/563688201.db2.gz	RGIJSJMHKOHSMH-YBEGLDIGSA-N	-1	0	331.401	3.779	40	30		EHEBRM
COc1ccc(OC)c(C=C2SC(=N)C(c3nccs3)=C2[O-])c1	ZINC000137098970	564000236	/nfs/dbraw/zinc/00/02/36/564000236.db2.gz	HCBQZKHFYHNTBG-CBZGGUPYSA-N	-1	0	346.433	3.578	40	30		EHEBRM
C[C@]12CC[C@@H]3[C@@H]4CCC(=O)C=C4CC[C@@H]3[C@@H]1CC[C@@]2(O)CCC(=O)[O-]	ZINC000263608496	1138332534	/nfs/dbraw/zinc/33/25/34/1138332534.db2.gz	UAEGJPGALHLJQP-RVNRYEFKSA-N	-1	0	346.467	3.724	40	30		EHEBRM
C=C1CC[C@H]2[C@](C)(C(=O)[O-])CCC[C@]2(C)[C@H]1CC/C(=C\CO)CO	ZINC000013329928	211547566	/nfs/dbraw/zinc/54/75/66/211547566.db2.gz	UTBCORIJXVSSBE-BONNTDLGSA-N	-1	0	336.472	3.541	40	30	biogenic,in-vitro	EHEBRM
CCCOc1ccc(C=NNc2cccc(C(=O)[O-])c2)cc1OC	ZINC000036118583	520323402	/nfs/dbraw/zinc/32/34/02/520323402.db2.gz	UNICJJRUHDKUSR-UNOMPAQXSA-N	-1	0	328.368	3.628	40	30		EHEBRM
CC/C=C/C[C@H](O)/C=C/[C@@H]1C=CC(=O)[C@@H]1C/C=C/CCCC(=O)[O-]	ZINC000103647948	563983432	/nfs/dbraw/zinc/98/34/32/563983432.db2.gz	KSIRMUMXJFWKAC-UNBLZLGXSA-N	-1	0	332.440	3.832	40	30		EHEBRM
CCOc1cc2c(cc1/C=N/c1cc(C(=O)[O-])ccc1C)OCO2	ZINC000409085634	564009542	/nfs/dbraw/zinc/00/95/42/564009542.db2.gz	FAQWPPTWAOYIJM-DJKKODMXSA-N	-1	0	327.336	3.571	40	30		EHEBRM
C=C1[C@@H](C)[C@]23C[C@H]1C[C@@H]2[C@@H](c1ccc(OCC(=O)[O-])cc1)OCC3	ZINC000257301433	564089913	/nfs/dbraw/zinc/08/99/13/564089913.db2.gz	RYKNFCZEVWROOC-KGCBIMRHSA-N	-1	0	328.408	3.830	40	30		EHEBRM
Cc1ccc(OCCCN2c3ccc(Cl)cc3/C(=N/[O-])C2=O)cc1	ZINC000101102046	219115832	/nfs/dbraw/zinc/11/58/32/219115832.db2.gz	UPTXROVRCQRYPO-JZJYNLBNSA-N	-1	0	344.798	3.642	40	30		EHEBRM
C#CCOc1c(Cl)cc(CNc2cccc(C(=O)[O-])c2)cc1OC	ZINC000408605331	257894123	/nfs/dbraw/zinc/89/41/23/257894123.db2.gz	GKMZVXPOBPDTEP-UHFFFAOYSA-N	-1	0	345.782	3.671	40	30		EHEBRM
Cc1cc(/N=C/c2c3c(cc([N+](=O)[O-])c2[O-])oc2c3CCCC2)no1	ZINC000005926639	563554397	/nfs/dbraw/zinc/55/43/97/563554397.db2.gz	ULUZBRHQVLZPQW-QGMBQPNBSA-N	-1	0	341.323	3.972	40	30		EHEBRM
O=[N+]([O-])c1ccccc1C=Nn1c(=S)[n-]nc1C1CCCCC1	ZINC000013109066	563687594	/nfs/dbraw/zinc/68/75/94/563687594.db2.gz	GUEJNENARRDKCZ-YBEGLDIGSA-N	-1	0	331.401	3.779	40	30		EHEBRM
COc1cccc(/C=N\c2ccc(Cl)cc2)c1O[C@@H](C)C(=O)[O-]	ZINC000409231491	564011278	/nfs/dbraw/zinc/01/12/78/564011278.db2.gz	JJWAKFXUWDMSAD-ORPVNXHJSA-N	-1	0	333.771	3.951	40	30		EHEBRM
COc1ccc(/N=C/c2ccc(O[C@@H](C)C(=O)[O-])cc2)cc1Cl	ZINC000059249866	564050572	/nfs/dbraw/zinc/05/05/72/564050572.db2.gz	XJDCDIIKUZTMFO-VSMYLPJWSA-N	-1	0	333.771	3.951	40	30		EHEBRM
COc1c2ccoc2cc([O-])c1C(=O)/C=C\c1ccc([N+](=O)[O-])cc1	ZINC000013409818	563698024	/nfs/dbraw/zinc/69/80/24/563698024.db2.gz	IBDSRVXKMCKMRM-DAXSKMNVSA-N	-1	0	339.303	3.951	40	30		EHEBRM
C=C1[C@@H]2C[C@@H]3[C@@H](c4ccc(OCC(=O)[O-])cc4)OCC[C@]3(C2)[C@H]1C	ZINC000257301434	564089909	/nfs/dbraw/zinc/08/99/09/564089909.db2.gz	RYKNFCZEVWROOC-SWSAAOHUSA-N	-1	0	328.408	3.830	40	30		EHEBRM
CCOc1cc(C=C2SC(=N)C(c3nccs3)=C2[O-])ccc1O	ZINC000033401937	564129877	/nfs/dbraw/zinc/12/98/77/564129877.db2.gz	KKFYXPXGPHOXND-IMFUVDMNSA-N	-1	0	346.433	3.665	40	30		EHEBRM
CCn1c(=O)c(/C=N/c2cc(Cl)ccc2O)c([O-])c2ccccc21	ZINC000103461947	219302732	/nfs/dbraw/zinc/30/27/32/219302732.db2.gz	BWOZKQXOCCCXGL-KEBDBYFISA-N	-1	0	342.782	3.837	40	30		EHEBRM
CC(C)C1=C([O-])C2=C(C(=O)C1=O)[C@@]1(C)CCCC(C)(C)[C@@H]1[C@H]1O[C@@H]21	ZINC000038167102	213203640	/nfs/dbraw/zinc/20/36/40/213203640.db2.gz	CGTKPZXYFCCDFG-CGBFIWBNSA-N	-1	0	330.424	3.517	40	30		EHEBRM
CN1C(=O)/C(=C/c2ccccc2)S/C1=N\c1cccc(C(=O)[O-])c1	ZINC000008642766	210976979	/nfs/dbraw/zinc/97/69/79/210976979.db2.gz	OTNVXYKFALLLDA-QNNPSDNZSA-N	-1	0	338.388	3.619	40	30		EHEBRM
COc1cc(/C=N/c2cc(Cl)ccc2C)ccc1OCC(=O)[O-]	ZINC000409208733	257874426	/nfs/dbraw/zinc/87/44/26/257874426.db2.gz	BTPSUNRQBGZKQX-DJKKODMXSA-N	-1	0	333.771	3.871	40	30		EHEBRM
CCOc1cc2c(cc1/C=N\c1ccc(C(=O)[O-])cc1C)OCO2	ZINC000409103260	257879685	/nfs/dbraw/zinc/87/96/85/257879685.db2.gz	GDZKMFFHZQBLNS-OCKHKDLRSA-N	-1	0	327.336	3.571	40	30		EHEBRM
COc1cc(/C=N\c2cc(C)ccc2C)ccc1O[C@H](C)C(=O)[O-]	ZINC000409010088	257882757	/nfs/dbraw/zinc/88/27/57/257882757.db2.gz	JLTRRUYDDKJSFV-LPKQHDGYSA-N	-1	0	327.380	3.915	40	30		EHEBRM
COc1cc([N+](=O)[O-])cc(/C=N\c2nc3ccc(C)cc3s2)c1[O-]	ZINC000016348708	563809431	/nfs/dbraw/zinc/80/94/31/563809431.db2.gz	SVFIVPUDQKVUPK-IUXPMGMMSA-N	-1	0	343.364	3.978	40	30		EHEBRM
COc1cc(/C=N\c2ccc(Cl)cc2)ccc1O[C@@H](C)C(=O)[O-]	ZINC000409014722	564008966	/nfs/dbraw/zinc/00/89/66/564008966.db2.gz	IQGKGPQNXKTZRL-ORPVNXHJSA-N	-1	0	333.771	3.951	40	30		EHEBRM
CCc1ccc(/N=C/c2cccc(OC)c2O[C@H](C)C(=O)[O-])cc1	ZINC000409252445	564011405	/nfs/dbraw/zinc/01/14/05/564011405.db2.gz	XUXJPDLADRGCTP-HMHKGCENSA-N	-1	0	327.380	3.860	40	30		EHEBRM
CC(C)[C@@]1(O)C=C2C(=O)C[C@H]3[C@](C)(C(=O)[O-])CCC[C@]3(C)[C@H]2CC1	ZINC000013303394	564019757	/nfs/dbraw/zinc/01/97/57/564019757.db2.gz	UFEHYRPBLFGEJW-CGKHISLQSA-N	-1	0	334.456	3.580	40	30	biogenic,in-vitro	EHEBRM
N#Cc1c(=S)[nH]c2c(c(=O)[n-]n2-c2ccccc2)c1-c1ccccc1	ZINC000003850759	210080651	/nfs/dbraw/zinc/08/06/51/210080651.db2.gz	YGCQYADHRULIOI-UHFFFAOYSA-N	-1	0	344.399	3.915	40	30		EHEBRM
CCOc1ccc(C=[NH+][N-]c2nnc(SCCC(C)C)[n-]2)cc1	ZINC000009695132	563644838	/nfs/dbraw/zinc/64/48/38/563644838.db2.gz	BWRQKJMJJMRLBD-GZTJUZNOSA-N	-1	0	333.461	3.788	40	30		EHEBRM
C#Cc1cccc(/N=C/c2cc([N+](=O)[O-])cc(Br)c2[O-])c1	ZINC000016939771	563826446	/nfs/dbraw/zinc/82/64/46/563826446.db2.gz	REOXBTOLFVBDQF-RQZCQDPDSA-N	-1	0	345.152	3.795	40	30		EHEBRM
CCc1nnc(C2=C([O-])C(=Cc3ccc(OC)cc3)SC2=N)s1	ZINC000136863889	564000109	/nfs/dbraw/zinc/00/01/09/564000109.db2.gz	XUTNAZPIOVBWKM-KIRBRQRLSA-N	-1	0	345.449	3.527	40	30		EHEBRM
COc1cccc(/C=N/c2ccc(C)c(C)c2)c1O[C@H](C)C(=O)[O-]	ZINC000409222602	564011207	/nfs/dbraw/zinc/01/12/07/564011207.db2.gz	CFBKRUKGWAYZFU-XLTHYULKSA-N	-1	0	327.380	3.915	40	30		EHEBRM
Cc1ccc(/N=C/c2ccc(O[C@H](C)C(=O)[O-])cc2)c([N+](=O)[O-])c1	ZINC000039557328	563900218	/nfs/dbraw/zinc/90/02/18/563900218.db2.gz	PZIAJISLLGIDCM-SGEFVQMOSA-N	-1	0	328.324	3.506	40	30		EHEBRM
COc1cc(/C=N/c2ccc(F)c(C)c2)ccc1O[C@H](C)C(=O)[O-]	ZINC000409013791	564008930	/nfs/dbraw/zinc/00/89/30/564008930.db2.gz	VPMIMUHRKGPXCT-HMASQMOLSA-N	-1	0	331.343	3.745	40	30		EHEBRM
C=CCN1C(=O)S/C(=C/c2cc(Cl)c([O-])c(Cl)c2)C1=O	ZINC000409087586	564009688	/nfs/dbraw/zinc/00/96/88/564009688.db2.gz	IXZRZOBBZOZVRQ-UXBLZVDNSA-N	-1	0	330.192	3.921	40	30		EHEBRM
CC/C=C/C[C@H](O)/C=C\[C@@H]1C=CC(=O)[C@@H]1C/C=C/CCCC(=O)[O-]	ZINC000256090905	564054555	/nfs/dbraw/zinc/05/45/55/564054555.db2.gz	KSIRMUMXJFWKAC-WRIUWMETSA-N	-1	0	332.440	3.832	40	30		EHEBRM
CCOc1ccccc1C=C1SC(=N)C(c2nccs2)=C1[O-]	ZINC000108228374	564129974	/nfs/dbraw/zinc/12/99/74/564129974.db2.gz	UAYZMILSSRDSAJ-UXNXJPNTSA-N	-1	0	330.434	3.960	40	30		EHEBRM
CCc1ccc2nc3[n-]c(NN=Cc4cccc(F)c4)nnc-3c2c1	ZINC000004660140	210240477	/nfs/dbraw/zinc/24/04/77/210240477.db2.gz	YZTKNVTZHGBTQL-KEBDBYFISA-N	-1	0	334.358	3.654	40	30		EHEBRM
CCOC(=O)c1ccc(/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1	ZINC000003127274	209968317	/nfs/dbraw/zinc/96/83/17/209968317.db2.gz	CYJINCWKLBTLGU-GIJQJNRQSA-N	-1	0	348.742	3.881	40	30		EHEBRM
O=C([O-])c1ccc(Cl)c(/N=C/c2ccc(N3CCOCC3)cc2)c1	ZINC000409104659	257879734	/nfs/dbraw/zinc/87/97/34/257879734.db2.gz	GOVNMUWYLDICRA-UDWIEESQSA-N	-1	0	344.798	3.625	40	30		EHEBRM
CC(C)C1=C([O-])C2=C(C(=O)C1=O)[C@@]1(C)CCCC(C)(C)[C@@H]1C[C@H]2O	ZINC000033368635	563915977	/nfs/dbraw/zinc/91/59/77/563915977.db2.gz	YVSUCPNWDPTGKM-JGRMJRGVSA-N	-1	0	332.440	3.500	40	30	biogenic,in-vitro	EHEBRM
CCOc1ccccc1C=C1SC(=N)C(c2nccs2)=C1[O-]	ZINC000136033390	564000019	/nfs/dbraw/zinc/00/00/19/564000019.db2.gz	UAYZMILSSRDSAJ-JSUBLRMOSA-N	-1	0	330.434	3.960	40	30		EHEBRM
CN(C)c1ccc(/N=C\c2ccc(OCC(=O)[O-])c(Cl)c2)cc1	ZINC000408812126	564007372	/nfs/dbraw/zinc/00/73/72/564007372.db2.gz	CCWVSTJBOMVLKV-GRSHGNNSSA-N	-1	0	332.787	3.620	40	30		EHEBRM
Cc1ccc(/N=C\c2ccc(OCC(=O)[O-])c(Cl)c2)cc1[N+](=O)[O-]	ZINC000408846637	564007547	/nfs/dbraw/zinc/00/75/47/564007547.db2.gz	RATCGSGRMJUYKY-LSCVHKIXSA-N	-1	0	348.742	3.771	40	30		EHEBRM
COC(=O)c1ccc(/N=C/c2cccn2-c2cccc(C(=O)[O-])c2)cc1	ZINC000409101015	564009931	/nfs/dbraw/zinc/00/99/31/564009931.db2.gz	OJYNYTFCTYZGEZ-FYJGNVAPSA-N	-1	0	348.358	3.713	40	30		EHEBRM
O=C([O-])c1ccc(-n2cccc2/C=N\c2ccc3c(c2)OCO3)cc1	ZINC000409239846	564011236	/nfs/dbraw/zinc/01/12/36/564011236.db2.gz	QWGRSTHITLPYEK-JAIQZWGSSA-N	-1	0	334.331	3.655	40	30		EHEBRM
CCOc1ccccc1/N=C\c1cccc(OC)c1O[C@H](C)C(=O)[O-]	ZINC000409235663	564011299	/nfs/dbraw/zinc/01/12/99/564011299.db2.gz	POCARHBSRRKYGL-UAAGNOOKSA-N	-1	0	343.379	3.696	40	30		EHEBRM
COc1cccc(/C=N\c2ccccc2Cl)c1O[C@@H](C)C(=O)[O-]	ZINC000409245990	564011306	/nfs/dbraw/zinc/01/13/06/564011306.db2.gz	CEBJASVLBBZTFP-ORPVNXHJSA-N	-1	0	333.771	3.951	40	30		EHEBRM
COc1ccc(Cl)cc1/N=C/c1ccc(O[C@H](C)C(=O)[O-])cc1	ZINC000059249170	564050574	/nfs/dbraw/zinc/05/05/74/564050574.db2.gz	DTPHXEVRPZERQW-VURRPDKYSA-N	-1	0	333.771	3.951	40	30		EHEBRM
COc1cc([N+](=O)[O-])cc(C=Nc2nc3ccc(C)cc3s2)c1[O-]	ZINC000254485387	1125287423	/nfs/dbraw/zinc/28/74/23/1125287423.db2.gz	SVFIVPUDQKVUPK-UHFFFAOYSA-N	-1	0	343.364	3.978	40	30		EHEBRM
CC(=NNc1ccccc1Cl)/C(=N/[O-])C(=O)Nc1ccccc1	ZINC000057353043	214421743	/nfs/dbraw/zinc/42/17/43/214421743.db2.gz	HNDHFIHNAJSOTF-JUYTWUFESA-N	-1	0	330.775	3.597	40	30		EHEBRM
CC(C)C1=C([O-])C2=C(C(=O)C1=O)[C@@]1(C)CCCC(C)(C)[C@@H]1C[C@@H]2O	ZINC000005114383	210391382	/nfs/dbraw/zinc/39/13/82/210391382.db2.gz	YVSUCPNWDPTGKM-PVUDRZGPSA-N	-1	0	332.440	3.500	40	30		EHEBRM
COc1ccc(CN=Nc2cc(C)nc(-c3ccccc3[O-])n2)cc1	ZINC000036237441	523459426	/nfs/dbraw/zinc/45/94/26/523459426.db2.gz	HIKHHEOBRLIKKE-NDENLUEZSA-N	-1	0	334.379	3.612	40	30		EHEBRM
CCOc1ccccc1/N=C\c1ccc(OCC(=O)[O-])c(Cl)c1	ZINC000408847395	564007572	/nfs/dbraw/zinc/00/75/72/564007572.db2.gz	UURJKKKIOOJFTB-GRSHGNNSSA-N	-1	0	333.771	3.953	40	30		EHEBRM
CCOc1ccccc1/N=C\c1ccc(O[C@H](C)C(=O)[O-])c(OC)c1	ZINC000409012499	564008904	/nfs/dbraw/zinc/00/89/04/564008904.db2.gz	KJTDXEZNSSDYSI-UAAGNOOKSA-N	-1	0	343.379	3.696	40	30		EHEBRM
COc1cccc(/C=N\c2ccc(Cl)cc2O)c1O[C@H](C)C(=O)[O-]	ZINC000409233899	564011272	/nfs/dbraw/zinc/01/12/72/564011272.db2.gz	UNJGBDVKEVBAEM-DWOMLUCJSA-N	-1	0	349.770	3.657	40	30		EHEBRM
CCc1ccc(/N=C/c2cccc(OC)c2O[C@@H](C)C(=O)[O-])cc1	ZINC000409252442	564011410	/nfs/dbraw/zinc/01/14/10/564011410.db2.gz	XUXJPDLADRGCTP-DZUMZMOTSA-N	-1	0	327.380	3.860	40	30		EHEBRM
Cc1cc2c(cc1C=C1SC(=N)C(c3nccs3)=C1[O-])OCO2	ZINC000107731468	564129966	/nfs/dbraw/zinc/12/99/66/564129966.db2.gz	YNVWAPANMFEGPF-LDTGTUQRSA-N	-1	0	344.417	3.598	40	30		EHEBRM
COc1cc(/C=N/c2ccc(C)c(C)c2)ccc1O[C@H](C)C(=O)[O-]	ZINC000409010459	257882808	/nfs/dbraw/zinc/88/28/08/257882808.db2.gz	KOOJSUXYWJLTAX-XLTHYULKSA-N	-1	0	327.380	3.915	40	30		EHEBRM
C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C/C=C(\CO)C(=O)C(=O)[O-]	ZINC000031168698	518665090	/nfs/dbraw/zinc/66/50/90/518665090.db2.gz	JATLKGIQGCADFB-QHYHZEAJSA-N	-1	0	334.456	3.748	40	30	biogenic,in-vitro	EHEBRM
O=S(=O)([O-])c1ccc(-c2ccc(C=NNc3ccccc3)o2)cc1	ZINC000006282398	563564101	/nfs/dbraw/zinc/56/41/01/563564101.db2.gz	AOTRRKFUKZSBLK-PDGQHHTCSA-N	-1	0	342.376	3.639	40	30		EHEBRM
Cc1cc(N2CCOCC2)ccc1/C=N/c1cc(C(=O)[O-])ccc1C	ZINC000409067648	564009376	/nfs/dbraw/zinc/00/93/76/564009376.db2.gz	QKADBOVYRVPLIV-FYJGNVAPSA-N	-1	0	338.407	3.589	40	30		EHEBRM
COc1cc(/C=N/c2ccc(C)c(Cl)c2)ccc1OCC(=O)[O-]	ZINC000409216935	564011151	/nfs/dbraw/zinc/01/11/51/564011151.db2.gz	PWHLUSVAXUHSSJ-DJKKODMXSA-N	-1	0	333.771	3.871	40	30		EHEBRM
O=[N+]([O-])c1cc(/C=N/c2c(-c3ccco3)nc3ccccn32)ccc1[O-]	ZINC000035183048	213013722	/nfs/dbraw/zinc/01/37/22/213013722.db2.gz	ZKPCMVXWJXSUIY-YBFXNURJSA-N	-1	0	348.318	3.959	40	30		EHEBRM
COc1ccc(/C=N/c2cccc(C(=O)[O-])c2)cc1Br	ZINC000005360920	563528371	/nfs/dbraw/zinc/52/83/71/563528371.db2.gz	KVSSWGAOBTVUJQ-RQZCQDPDSA-N	-1	0	334.169	3.907	40	30		EHEBRM
COc1cccc(/C=N/c2cccc(Cl)c2)c1O[C@H](C)C(=O)[O-]	ZINC000409249302	564011340	/nfs/dbraw/zinc/01/13/40/564011340.db2.gz	SXQGQKZXGNBVEM-VURRPDKYSA-N	-1	0	333.771	3.951	40	30		EHEBRM
CC(C)[C@@]1(O)C=C2C(=O)C[C@H]3[C@](C)(C(=O)[O-])CCC[C@]3(C)[C@@H]2CC1	ZINC000013303387	564019747	/nfs/dbraw/zinc/01/97/47/564019747.db2.gz	UFEHYRPBLFGEJW-NPSVCUHKSA-N	-1	0	334.456	3.580	40	30	biogenic,in-vitro	EHEBRM
CCOC(=O)C(Cl)=NNc1ccc(Cl)cc1C(F)(F)F	ZINC000255004071	564053717	/nfs/dbraw/zinc/05/37/17/564053717.db2.gz	MCIFKBFKKIRXKP-UHFFFAOYSA-N	-1	0	329.105	3.886	40	30		EHEBRM
O=[N+]([O-])c1cc(/C=N/c2cccc3cccnc32)c([O-])c([N+](=O)[O-])c1	ZINC000003096373	564155112	/nfs/dbraw/zinc/15/51/12/564155112.db2.gz	AAMTVBUGRHNVJY-GIJQJNRQSA-N	-1	0	338.279	3.507	40	30		EHEBRM
[O-]/N=C(/CC(O)(C(F)(F)F)C(F)(F)F)c1cccc(Cl)c1	ZINC000101210852	219119038	/nfs/dbraw/zinc/11/90/38/219119038.db2.gz	GVPYPKOPSXHWPD-UWVJOHFNSA-N	-1	0	335.631	3.764	40	30		EHEBRM
CCOc1cc2c(cc1/C=N/c1ccc(Cl)c(C(=O)[O-])c1)OCO2	ZINC000409108402	257879222	/nfs/dbraw/zinc/87/92/22/257879222.db2.gz	XMCQXFZQLCCBNG-UFWORHAWSA-N	-1	0	347.754	3.916	40	30		EHEBRM
O=C([O-])c1ccccc1N1C2=C(CC3=C1CCCC3=O)C(=O)CCC2	ZINC000001640472	563398600	/nfs/dbraw/zinc/39/86/00/563398600.db2.gz	IIFLRCBSRQNUQS-UHFFFAOYSA-N	-1	0	337.375	3.609	40	30		EHEBRM
Cc1nn(-c2ccccc2)c(C)c1/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000408975267	564008498	/nfs/dbraw/zinc/00/84/98/564008498.db2.gz	LNNBCVUCOABCDP-YBFXNURJSA-N	-1	0	336.351	3.854	40	30		EHEBRM
COc1cc(/C=N\c2ccc(Cl)cc2)ccc1O[C@H](C)C(=O)[O-]	ZINC000409014724	564008984	/nfs/dbraw/zinc/00/89/84/564008984.db2.gz	IQGKGPQNXKTZRL-XEQXHXIFSA-N	-1	0	333.771	3.951	40	30		EHEBRM
CCn1c(=O)c(/C=N/c2ncc(Cl)s2)c([O-])c2ccccc21	ZINC000101513810	564076693	/nfs/dbraw/zinc/07/66/93/564076693.db2.gz	BGBMPXVWNYXMEF-REZTVBANSA-N	-1	0	333.800	3.588	40	30		EHEBRM
COc1ccc(/C=N/c2cccc(Br)c2)cc1C(=O)[O-]	ZINC000100287205	219096176	/nfs/dbraw/zinc/09/61/76/219096176.db2.gz	BZWKFXVHGXIGRZ-RQZCQDPDSA-N	-1	0	334.169	3.907	40	30		EHEBRM
Cc1cc(NN=Cc2ccccc2[N+](=O)[O-])nc(-c2ccccc2[O-])n1	ZINC000005002987	210357737	/nfs/dbraw/zinc/35/77/37/210357737.db2.gz	PGVUCTAKARIZMF-YBFXNURJSA-N	-1	0	349.350	3.512	40	30		EHEBRM
C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC/C2=C/C(=O)[O-]	ZINC000118930952	221205270	/nfs/dbraw/zinc/20/52/70/221205270.db2.gz	BXYNPSUFUJLXBQ-BSJFZHNKSA-N	-1	0	342.435	3.708	40	30		EHEBRM
COc1ccc(OC)c(C=Nn2c(=S)[n-]nc2C2CCCCC2)c1	ZINC000001258857	563381725	/nfs/dbraw/zinc/38/17/25/563381725.db2.gz	OEAJWTALMFWMQG-WQRHYEAKSA-N	-1	0	346.456	3.888	40	30		EHEBRM
N#CC(=C([O-])C(=O)Nc1ccc(Cl)c(Cl)c1)c1ccccc1	ZINC000006575688	563573189	/nfs/dbraw/zinc/57/31/89/563573189.db2.gz	NSMSMAQCSOUXTR-LBPRGKRZSA-N	-1	0	333.174	3.808	40	30		EHEBRM
COc1cccc(C=Nn2c(=S)[n-]nc2C2CCCCC2)c1O	ZINC000001251590	564003134	/nfs/dbraw/zinc/00/31/34/564003134.db2.gz	SVWDVWLJYCTONR-YVLHZVERSA-N	-1	0	332.429	3.585	40	30		EHEBRM
Cc1cccc(NC(=O)COc2ccc(Cl)cc2/C=N\[O-])c1C	ZINC000409253645	564011391	/nfs/dbraw/zinc/01/13/91/564011391.db2.gz	XQMWVIRHTWPKQF-OCKHKDLRSA-N	-1	0	332.787	3.782	40	30		EHEBRM
Cn1c(=O)c(C(=O)/C=C/C=C/c2ccccc2)c([O-])c2ccccc21	ZINC000100291669	219096100	/nfs/dbraw/zinc/09/61/00/219096100.db2.gz	HGKHUZZGROGBAR-XMGZOKRTSA-N	-1	0	331.371	3.696	40	30		EHEBRM
C=C[C@@]1(C)C[C@H](O)[C@]2(C1)CC[C@H]1[C@](C)(C(=O)[O-])CCC[C@@]1(C)C2=O	ZINC000072320543	216148838	/nfs/dbraw/zinc/14/88/38/216148838.db2.gz	JSXYBZIRJXMIMK-QVUQGWAFSA-N	-1	0	334.456	3.580	40	30	biogenic,in-vitro	EHEBRM
O=C([O-])c1nc(Cl)c(Cl)c(N=NCc2cccnc2)c1Cl	ZINC000006686388	210681098	/nfs/dbraw/zinc/68/10/98/210681098.db2.gz	UXWNUYLNNCZOPI-YAXRCOADSA-N	-1	0	345.573	3.581	40	30		EHEBRM
CCc1ccc(/C=C/C(=O)C(C(=O)[O-])=C2SCCCS2)cc1	ZINC000062716094	257691050	/nfs/dbraw/zinc/69/10/50/257691050.db2.gz	RRJSFDBBCZPDAW-CMDGGOBGSA-N	-1	0	334.462	3.998	40	30		EHEBRM
O=S(=O)([O-])c1ccc(-c2ccc(C=NNc3ccccc3)o2)cc1	ZINC000016490208	563813238	/nfs/dbraw/zinc/81/32/38/563813238.db2.gz	AOTRRKFUKZSBLK-LDADJPATSA-N	-1	0	342.376	3.639	40	30		EHEBRM
COc1cc(/C=N/c2cccc(Cl)c2)ccc1O[C@@H](C)C(=O)[O-]	ZINC000409011206	564008916	/nfs/dbraw/zinc/00/89/16/564008916.db2.gz	MTVJRYQYAXPBMO-VSMYLPJWSA-N	-1	0	333.771	3.951	40	30		EHEBRM
CN(C)c1ccc(C=Nn2c(=S)[n-]nc2C2CCCCC2)cc1	ZINC000001239360	564065588	/nfs/dbraw/zinc/06/55/88/564065588.db2.gz	PDYBCZFHAAOLDH-PDGQHHTCSA-N	-1	0	329.473	3.937	40	30		EHEBRM
CC/C=C/C[C@H](O)/C=C/[C@@H]1C=CC(=O)[C@@H]1C/C=C\CCCC(=O)[O-]	ZINC000111940832	564130012	/nfs/dbraw/zinc/13/00/12/564130012.db2.gz	KSIRMUMXJFWKAC-GOLVAQLOSA-N	-1	0	332.440	3.832	40	30		EHEBRM
CN(C)c1ccc(-n2cccc2/C=N/c2ccc(O)c(C(=O)[O-])c2)cc1	ZINC000009265677	211059400	/nfs/dbraw/zinc/05/94/00/211059400.db2.gz	XYFJPJVBBZGIMG-FYJGNVAPSA-N	-1	0	349.390	3.698	40	30		EHEBRM
N#Cc1ccc(/N=C/c2cc([N+](=O)[O-])cc(Br)c2[O-])cc1	ZINC000409069446	257881153	/nfs/dbraw/zinc/88/11/53/257881153.db2.gz	XTBAXXQPVDOFIT-CAOOACKPSA-N	-1	0	346.140	3.685	40	30		EHEBRM
O=[N+]([O-])c1cc(Br)c([O-])c(C=NNc2ccccc2)c1	ZINC000113856371	257859721	/nfs/dbraw/zinc/85/97/21/257859721.db2.gz	RKDVMLBWCUCGTB-OVCLIPMQSA-N	-1	0	336.145	3.509	40	30		EHEBRM
O=C([N-]S(=O)(=O)c1ccccc1)c1ccc(Cl)cc1Cl	ZINC000001492181	563391062	/nfs/dbraw/zinc/39/10/62/563391062.db2.gz	TXHQSKPOVJIXCS-UHFFFAOYSA-N	-1	0	330.192	3.687	40	30	in-vivo	EHEBRM
COc1cccc(C=C2SC(=N)C(c3nccs3)=C2[O-])c1OC	ZINC000135987037	564000028	/nfs/dbraw/zinc/00/00/28/564000028.db2.gz	BSLNOSQBNSMXEP-UVNRQLLHSA-N	-1	0	346.433	3.578	40	30		EHEBRM
C=CCN1C(=O)S/C(=C/c2cc(Cl)cc(Cl)c2[O-])C1=O	ZINC000409069620	564009432	/nfs/dbraw/zinc/00/94/32/564009432.db2.gz	LZAXDOLOVWIXFY-BJMVGYQFSA-N	-1	0	330.192	3.921	40	30		EHEBRM
COc1cccc(C=Nc2ccc(C(C)=O)cc2)c1O[C@H](C)C(=O)[O-]	ZINC000409244696	564011290	/nfs/dbraw/zinc/01/12/90/564011290.db2.gz	HJUWQGUBWRFVFA-AYPRBGQRSA-N	-1	0	341.363	3.500	40	30		EHEBRM
C=CCc1cc(/C=N/c2ccc(C(=O)[O-])cc2)cc(OCC)c1O	ZINC000059248876	564050554	/nfs/dbraw/zinc/05/05/54/564050554.db2.gz	SHJCERLMMBIXDW-UDWIEESQSA-N	-1	0	325.364	3.968	40	30		EHEBRM
C[C@H](Oc1ccc(C=NNc2ccc3ccccc3n2)cc1)C(=O)[O-]	ZINC000059302925	564050701	/nfs/dbraw/zinc/05/07/01/564050701.db2.gz	NFEVRXUKFIZNEN-DZUMZMOTSA-N	-1	0	335.363	3.533	40	30		EHEBRM
CCOc1cccc(C=C2SC(=N)C(c3nccs3)=C2[O-])c1	ZINC000034889598	564129942	/nfs/dbraw/zinc/12/99/42/564129942.db2.gz	ATCAANUEASZKNH-UXNXJPNTSA-N	-1	0	330.434	3.960	40	30		EHEBRM
N#Cc1c(N)nc2c(c1-c1cc(Br)ccc1[O-])CCCC2	ZINC000038179027	564162824	/nfs/dbraw/zinc/16/28/24/564162824.db2.gz	JLONUZHXYUZHJT-UHFFFAOYSA-N	-1	0	344.212	3.549	40	30		EHEBRM
CC(=O)Nc1ccc(/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1	ZINC000003130099	209967640	/nfs/dbraw/zinc/96/76/40/209967640.db2.gz	NBKOUCCTKDBOJD-CAOOACKPSA-N	-1	0	333.731	3.663	40	30		EHEBRM
COc1cc(/C=N/c2ccc(F)c(C)c2)ccc1O[C@@H](C)C(=O)[O-]	ZINC000409013792	257882460	/nfs/dbraw/zinc/88/24/60/257882460.db2.gz	VPMIMUHRKGPXCT-QDBSGRMGSA-N	-1	0	331.343	3.745	40	30		EHEBRM
COc1cc(/C=N/c2cccc(Cl)c2)ccc1O[C@H](C)C(=O)[O-]	ZINC000409011207	564008915	/nfs/dbraw/zinc/00/89/15/564008915.db2.gz	MTVJRYQYAXPBMO-VURRPDKYSA-N	-1	0	333.771	3.951	40	30		EHEBRM
O=S(=O)([O-])c1ccc(-c2ccc(/C=N\c3ccc(O)cc3)o2)cc1	ZINC000016429577	564086602	/nfs/dbraw/zinc/08/66/02/564086602.db2.gz	KURAPZICTDPRKS-WQRHYEAKSA-N	-1	0	343.360	3.650	40	30		EHEBRM
N#Cc1ccccc1COc1ccc(Br)cc1/C=N/[O-]	ZINC000033658906	564129911	/nfs/dbraw/zinc/12/99/11/564129911.db2.gz	UTDPRTJOUCYBON-GIJQJNRQSA-N	-1	0	331.169	3.708	40	30		EHEBRM
CCc1nnc(C2=C([O-])C(=Cc3cccc(OC)c3)SC2=N)s1	ZINC000107969333	564129978	/nfs/dbraw/zinc/12/99/78/564129978.db2.gz	CVJVYRPNXJBESM-KCVJERJOSA-N	-1	0	345.449	3.527	40	30		EHEBRM
CCCCCCCCCCCCCC(=O)NCCS(=O)(=O)[O-]	ZINC000100494567	219100179	/nfs/dbraw/zinc/10/01/79/219100179.db2.gz	XPZFMHCHEWYIGE-UHFFFAOYSA-N	-1	0	335.510	3.692	40	30	in-vitro	EHEBRM
C=CCSc1nc2c(sc(=S)n2-c2ccccc2)c(=O)[n-]1	ZINC000072408114	216199739	/nfs/dbraw/zinc/19/97/39/216199739.db2.gz	WOYNVZIQDHKPJD-UHFFFAOYSA-N	-1	0	333.463	3.783	40	30		EHEBRM
N#Cc1c(/N=C\c2cc([N+](=O)[O-])ccc2[O-])sc2c1CCCC2	ZINC000011613930	211226556	/nfs/dbraw/zinc/22/65/56/211226556.db2.gz	QCAVYHTVSHAWPU-NVMNQCDNSA-N	-1	0	327.365	3.863	40	30		EHEBRM
CCN(CC)c1ccc(N=NC(C(C)=O)=C([O-])c2ccccc2)cc1	ZINC000016678532	520912310	/nfs/dbraw/zinc/91/23/10/520912310.db2.gz	XPVJRSPSULGJTP-ZBJSNUHESA-N	-1	0	337.423	3.773	40	30		EHEBRM
COc1ccc(C=Nn2c(=S)[n-]nc2-c2ccccc2)c(OC)c1	ZINC000001816288	563413490	/nfs/dbraw/zinc/41/34/90/563413490.db2.gz	KXQMXSYNOAAIEG-WQRHYEAKSA-N	-1	0	340.408	3.507	40	30		EHEBRM
CN(C)c1ccc(-n2ccc(/C=N/c3ccc(C(=O)[O-])cc3)c2)cc1	ZINC000006949230	563592314	/nfs/dbraw/zinc/59/23/14/563592314.db2.gz	YTEIRTMWIYKKQN-FYJGNVAPSA-N	-1	0	333.391	3.992	40	30		EHEBRM
O=C([O-])COc1ccc(/C=N\c2ccc(Cl)cc2O)cc1Cl	ZINC000408848989	564007595	/nfs/dbraw/zinc/00/75/95/564007595.db2.gz	TYKIHJLAJRSCRP-WSVATBPTSA-N	-1	0	340.162	3.913	40	30		EHEBRM
CC(=O)c1cccc(N=Cc2ccc(OCC(=O)[O-])c(Cl)c2)c1	ZINC000408855432	564007671	/nfs/dbraw/zinc/00/76/71/564007671.db2.gz	MWYACUBHKKMJLS-DJKKODMXSA-N	-1	0	331.755	3.757	40	30		EHEBRM
COc1cc2c(cc1/C=N\c1cc(C(=O)[O-])ccc1Cl)OCO2	ZINC000409095010	564009628	/nfs/dbraw/zinc/00/96/28/564009628.db2.gz	GHRGMHNMLZUASL-WSVATBPTSA-N	-1	0	333.727	3.526	40	30		EHEBRM
COc1cccc(/C=N/c2ccc(F)c(C)c2)c1O[C@@H](C)C(=O)[O-]	ZINC000409221171	564011197	/nfs/dbraw/zinc/01/11/97/564011197.db2.gz	LXLGZRTWZVWESX-QDBSGRMGSA-N	-1	0	331.343	3.745	40	30		EHEBRM
COc1cccc(/C=N\c2ccccc2Cl)c1O[C@H](C)C(=O)[O-]	ZINC000409245991	564011304	/nfs/dbraw/zinc/01/13/04/564011304.db2.gz	CEBJASVLBBZTFP-XEQXHXIFSA-N	-1	0	333.771	3.951	40	30		EHEBRM
C/C(=N/N1CCN(Cc2ccc(C)cc2C)CC1)c1ccccc1O	ZINC000005968016	564033083	/nfs/dbraw/zinc/03/30/83/564033083.db2.gz	QEPZSICFJUOGJZ-PYCFMQQDSA-N	-1	0	337.467	3.551	40	30		EHEBRM
O=C([O-])c1ccc(-n2cccc2/C=N\c2cccc([N+](=O)[O-])c2)cc1	ZINC000409231317	257874067	/nfs/dbraw/zinc/87/40/67/257874067.db2.gz	JUQUNYBUFCYLAI-UNOMPAQXSA-N	-1	0	335.319	3.834	40	30		EHEBRM
C=C1CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1C/C=C(\CO)C(=O)C(=O)[O-]	ZINC000031168694	518663258	/nfs/dbraw/zinc/66/32/58/518663258.db2.gz	JATLKGIQGCADFB-MUMZKTATSA-N	-1	0	334.456	3.748	40	30	biogenic,in-vitro	EHEBRM
CCN(CC)c1ccc(/N=C/c2ccccc2S(=O)(=O)[O-])cc1	ZINC000001710107	563405717	/nfs/dbraw/zinc/40/57/17/563405717.db2.gz	GMKXHMVNSQYBCT-QGOAFFKASA-N	-1	0	332.425	3.530	40	30		EHEBRM
COc1cc([N+](=O)[O-])cc(/C=N/c2nc3ccc(C)cc3s2)c1[O-]	ZINC000005418089	563531972	/nfs/dbraw/zinc/53/19/72/563531972.db2.gz	SVFIVPUDQKVUPK-CAOOACKPSA-N	-1	0	343.364	3.978	40	30		EHEBRM
Cc1ccc(/N=C\c2c[n-]n3c2nc2ccccc2c3=O)cc1Cl	ZINC000016312705	563808436	/nfs/dbraw/zinc/80/84/36/563808436.db2.gz	XGBQZGVFBOHEQY-UKWGHVSLSA-N	-1	0	336.782	3.888	40	30		EHEBRM
O=c1c2ccccc2nc(-c2ccccc2)n1/N=C\c1ccccc1O	ZINC000017024210	563828855	/nfs/dbraw/zinc/82/88/55/563828855.db2.gz	MQMJSASATWYVEJ-HMAPJEAMSA-N	-1	0	341.370	3.651	40	30		EHEBRM
C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC/C2=C\C(=O)[O-]	ZINC000033838976	563916574	/nfs/dbraw/zinc/91/65/74/563916574.db2.gz	BXYNPSUFUJLXBQ-XYRJLIMLSA-N	-1	0	342.435	3.708	40	30		EHEBRM
C=C1CC[C@H]2[C@@](C)(C(=O)[O-])CCC[C@@]2(C)[C@H]1CC[C@H](CO)CCO	ZINC000013330442	564073786	/nfs/dbraw/zinc/07/37/86/564073786.db2.gz	NMJFUGHUXVDUIU-GCLMUHHRSA-N	-1	0	338.488	3.621	40	30		EHEBRM
CC(=O)Nc1ccc(/N=C/c2ccc(OCC(=O)[O-])c(Cl)c2)cc1	ZINC000408845300	257887449	/nfs/dbraw/zinc/88/74/49/257887449.db2.gz	FXQOSBGURVRDDA-DJKKODMXSA-N	-1	0	346.770	3.512	40	30		EHEBRM
O=C(COc1ccccc1/C=N\[O-])Nc1ccc(Cl)c(Cl)c1	ZINC000408555512	563472556	/nfs/dbraw/zinc/47/25/56/563472556.db2.gz	XURPDPBFGBSHHL-LSCVHKIXSA-N	-1	0	339.178	3.819	40	30		EHEBRM
CCOc1ccccc1/N=C\c1cccc(OC)c1O[C@@H](C)C(=O)[O-]	ZINC000409235661	564011297	/nfs/dbraw/zinc/01/12/97/564011297.db2.gz	POCARHBSRRKYGL-RQZLXBNYSA-N	-1	0	343.379	3.696	40	30		EHEBRM
COc1ccc(C=C2SC(=N)C(c3nccs3)=C2[O-])cc1OC	ZINC000034746292	564129885	/nfs/dbraw/zinc/12/98/85/564129885.db2.gz	IQIXWNOJYDRKTK-IMFUVDMNSA-N	-1	0	346.433	3.578	40	30		EHEBRM
CC/C=C/C[C@H](O)/C=C\[C@@H]1C=CC(=O)[C@@H]1C/C=C\CCCC(=O)[O-]	ZINC000111940830	564130015	/nfs/dbraw/zinc/13/00/15/564130015.db2.gz	KSIRMUMXJFWKAC-YFTRYDRXSA-N	-1	0	332.440	3.832	40	30		EHEBRM
CCCCCCCCNS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl	ZINC000226860699	564153361	/nfs/dbraw/zinc/15/33/61/564153361.db2.gz	ZBBXALBTINCHMN-UHFFFAOYSA-N	-1	0	347.864	3.677	40	30		EHEBRM
CCc1ccc2nc3[n-]c(NN=Cc4ccc(C)s4)nnc-3c2c1	ZINC000004660139	210239787	/nfs/dbraw/zinc/23/97/87/210239787.db2.gz	YONYLMNSWXOCSY-GIJQJNRQSA-N	-1	0	336.424	3.884	40	30		EHEBRM
C[C@@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC/C2=N/OCC(=O)[O-]	ZINC000100243712	219095266	/nfs/dbraw/zinc/09/52/66/219095266.db2.gz	UZKYYNQEKCAXLJ-MHNALKNASA-N	-1	0	343.423	3.706	40	30		EHEBRM
N#Cc1ccc(-c2ccc(/C=N\c3ccc(O)c(C(=O)[O-])c3)o2)cc1	ZINC000409024272	257882435	/nfs/dbraw/zinc/88/24/35/257882435.db2.gz	PCENWECCWJUYLM-NHDPSOOVSA-N	-1	0	332.315	3.973	40	30		EHEBRM
Cc1oc(/N=C/c2cc(Br)c([O-])cc2O)c(C#N)c1C	ZINC000408719129	563615490	/nfs/dbraw/zinc/61/54/90/563615490.db2.gz	JPJVRWNWJXUXLN-UBKPWBPPSA-N	-1	0	335.157	3.692	40	30		EHEBRM
O=C1Nc2c(cc(F)cc2F)C1=NNc1cccc(C(F)(F)F)c1	ZINC000223751986	564040792	/nfs/dbraw/zinc/04/07/92/564040792.db2.gz	OTGBFKHTZWJLKE-UHFFFAOYSA-N	-1	0	341.239	3.752	40	30		EHEBRM
C=C1CC[C@@H]2[C@](C)(C(=O)[O-])CCC[C@]2(C)[C@@H]1CC/C(=C\CO)CO	ZINC000253389640	564130402	/nfs/dbraw/zinc/13/04/02/564130402.db2.gz	UTBCORIJXVSSBE-AYIYKEKZSA-N	-1	0	336.472	3.541	40	30	biogenic,in-vitro	EHEBRM
COc1cccc(/C=N\c2cc(C)ccc2C)c1O[C@H](C)C(=O)[O-]	ZINC000409231125	257874003	/nfs/dbraw/zinc/87/40/03/257874003.db2.gz	HSILNUJEJCIWJW-LPKQHDGYSA-N	-1	0	327.380	3.915	40	30		EHEBRM
CCOc1cc(C=Nn2c(=S)[n-]nc2-c2ccccc2)ccc1O	ZINC000001261132	563382027	/nfs/dbraw/zinc/38/20/27/563382027.db2.gz	SACZZWMQWVSXID-WQRHYEAKSA-N	-1	0	340.408	3.594	40	30		EHEBRM
CN(C)c1ccc(/C=C/C(=O)C(C(=O)[O-])=C2SCCCS2)cc1	ZINC000005393670	563530570	/nfs/dbraw/zinc/53/05/70/563530570.db2.gz	OWUDGFSKMNBTIV-RMKNXTFCSA-N	-1	0	349.477	3.501	40	30		EHEBRM
C[C@@H]1CCC[C@H](C(=O)/C(=C\c2cccc(Cl)c2)C(=O)C(=O)[O-])C1	ZINC000006437735	563568430	/nfs/dbraw/zinc/56/84/30/563568430.db2.gz	WXZJANUZVNOTHQ-KURUJGOKSA-N	-1	0	334.799	3.773	40	30		EHEBRM
C=CCOc1ccc(NS(=O)(=O)c2cc(C)c(OC)cc2C)cc1	ZINC000224563018	563994370	/nfs/dbraw/zinc/99/43/70/563994370.db2.gz	NJUYJWDWXSRJPL-UHFFFAOYSA-N	-1	0	347.436	3.678	40	30		EHEBRM
CCc1nnc(C2=C([O-])C(=Cc3sccc3C)SC2=N)s1	ZINC000136550005	564000103	/nfs/dbraw/zinc/00/01/03/564000103.db2.gz	WRPXNWJLACKSMM-XMLLCQPESA-N	-1	0	335.479	3.888	40	30		EHEBRM
COc1cc(/C=N\c2cc(C)ccc2C)ccc1O[C@@H](C)C(=O)[O-]	ZINC000409010087	564008869	/nfs/dbraw/zinc/00/88/69/564008869.db2.gz	JLTRRUYDDKJSFV-GNKPEBMXSA-N	-1	0	327.380	3.915	40	30		EHEBRM
C=CCc1cc(/C=N/Cc2ccccc2)cc(OC)c1OCC(=O)[O-]	ZINC000059302784	564050689	/nfs/dbraw/zinc/05/06/89/564050689.db2.gz	CRABNOPFYZOCIG-FYJGNVAPSA-N	-1	0	339.391	3.506	40	30		EHEBRM
CC(C)C1=C([O-])C2=C(C(=O)C1=O)[C@@]1(C)CCCC(C)(C)[C@@H]1[C@H](O)C2	ZINC000006023123	564087257	/nfs/dbraw/zinc/08/72/57/564087257.db2.gz	LHCTZBGPXAXLAE-CCMJGWDWSA-N	-1	0	332.440	3.500	40	30		EHEBRM
CCn1c(=O)c(/C=N/c2nc(C)c(C)s2)c([O-])c2ccccc21	ZINC000100192877	219094126	/nfs/dbraw/zinc/09/41/26/219094126.db2.gz	IDZUWIOYMHHBPE-GIJQJNRQSA-N	-1	0	327.409	3.551	40	30		EHEBRM
Cc1cc2[nH]c3c(C#N)c([O-])c(Cc4ccccc4)c(=O)n3c2cc1C	ZINC000104058969	219343229	/nfs/dbraw/zinc/34/32/29/219343229.db2.gz	XMFRXWOPFNYSQL-UHFFFAOYSA-N	-1	0	343.386	3.566	40	30		EHEBRM
C=C[C@@]1(C)C[C@H](O)[C@]2(C1)CC[C@H]1[C@@](C)(C(=O)[O-])CCC[C@]1(C)C2=O	ZINC000072320546	216149340	/nfs/dbraw/zinc/14/93/40/216149340.db2.gz	JSXYBZIRJXMIMK-XJFXRRGNSA-N	-1	0	334.456	3.580	40	30	biogenic,in-vitro	EHEBRM
CC1=C[C@@](C)(C(Cl)(Cl)Cl)C=C/C1=N\O[C@@H](C)C(=O)[O-]	ZINC000004982871	210347613	/nfs/dbraw/zinc/34/76/13/210347613.db2.gz	QZHVFVLGJNUPIE-UMXKXNICSA-N	-1	0	326.607	3.725	40	30		EHEBRM
FC(F)(F)c1n[n-]c(=S)n1N=Cc1ccc(Cl)cc1Cl	ZINC000027028528	258005667	/nfs/dbraw/zinc/00/56/67/258005667.db2.gz	ZJXIJIFMEGYKKP-AYSLTRBKSA-N	-1	0	341.145	3.775	40	30		EHEBRM
CCCOC(=O)c1ccc(/N=C/c2cccc([N+](=O)[O-])c2[O-])cc1	ZINC000006779006	563586056	/nfs/dbraw/zinc/58/60/56/563586056.db2.gz	WSAAYOBDVMTZKL-WOJGMQOQSA-N	-1	0	328.324	3.618	40	30		EHEBRM
O=S(=O)([O-])c1ccc(NN=Cc2cccc3ccccc23)cc1	ZINC000031638535	563912903	/nfs/dbraw/zinc/91/29/03/563912903.db2.gz	KPGBZCBUMRGMEG-PDGQHHTCSA-N	-1	0	326.377	3.533	40	30		EHEBRM
C=CCc1cc(/C=N/c2cccc(C(=O)[O-])c2)cc(OCC)c1O	ZINC000408849749	564007615	/nfs/dbraw/zinc/00/76/15/564007615.db2.gz	YLXFUMNBEVAQGW-UDWIEESQSA-N	-1	0	325.364	3.968	40	30		EHEBRM
CCc1nnc(C2=C([O-])C(=Cc3ccc(OC)cc3)SC2=N)s1	ZINC000033661049	564129899	/nfs/dbraw/zinc/12/98/99/564129899.db2.gz	XUTNAZPIOVBWKM-KCVJERJOSA-N	-1	0	345.449	3.527	40	30		EHEBRM
Cc1cc(N2CCCC2)c(F)cc1/C=N\c1ccc(O)c(C(=O)[O-])c1	ZINC000108948685	564129984	/nfs/dbraw/zinc/12/99/84/564129984.db2.gz	RHJVZHMSZGUUQP-NHDPSOOVSA-N	-1	0	342.370	3.889	40	30		EHEBRM
C=C1CC[C@@H]2[C@](C)(C(=O)[O-])CCC[C@]2(C)[C@H]1CC/C(=C\CO)CO	ZINC000253389642	564130396	/nfs/dbraw/zinc/13/03/96/564130396.db2.gz	UTBCORIJXVSSBE-IJAKKBSMSA-N	-1	0	336.472	3.541	40	30	biogenic,in-vitro	EHEBRM
Cn1c(=O)c(C(=O)/C=C/c2ccc(Cl)cc2)c([O-])c2ccccc21	ZINC000100362328	219097962	/nfs/dbraw/zinc/09/79/62/219097962.db2.gz	UKHBQPBBRKBOHX-DHZHZOJOSA-N	-1	0	339.778	3.794	40	30		EHEBRM
C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)[O-])[C@H]1CC[C@H](CO)CCO	ZINC000013330444	211547493	/nfs/dbraw/zinc/54/74/93/211547493.db2.gz	NMJFUGHUXVDUIU-OIGVQNGMSA-N	-1	0	338.488	3.621	40	30		EHEBRM
COc1cc([N+](=O)[O-])cc(/C=N/c2c(O)ccc3ccccc32)c1[O-]	ZINC000005357163	563528427	/nfs/dbraw/zinc/52/84/27/563528427.db2.gz	QUQNQQBIUVJMCF-VXLYETTFSA-N	-1	0	338.319	3.918	40	30		EHEBRM
COC(=O)c1cccc(/N=C\c2cccn2-c2ccc(C(=O)[O-])cc2)c1	ZINC000409239255	564011235	/nfs/dbraw/zinc/01/12/35/564011235.db2.gz	PBIPNBVLWWTCMH-BKUYFWCQSA-N	-1	0	348.358	3.713	40	30		EHEBRM
CCCCOc1ccc(C=Nn2c(=S)[n-]nc2CC)cc1OC	ZINC000005547813	564014123	/nfs/dbraw/zinc/01/41/23/564014123.db2.gz	PSMGHVVGHPRFBM-GZTJUZNOSA-N	-1	0	334.445	3.573	40	30		EHEBRM
Cc1[n-]n(Cc2ccccc2)c(=O)c1N=Nc1ccc(Cl)cc1	ZINC000013590197	564020396	/nfs/dbraw/zinc/02/03/96/564020396.db2.gz	POZJOAHKOCTYKB-SILNSSARSA-N	-1	0	326.787	3.526	40	30		EHEBRM
COc1ccc(C=C2SC(=N)C(c3nccs3)=C2[O-])c(OC)c1	ZINC000136358814	564034975	/nfs/dbraw/zinc/03/49/75/564034975.db2.gz	IUCCQDWLIGCKDT-CVJMBDMSSA-N	-1	0	346.433	3.578	40	30		EHEBRM
C=CCc1cc(/C=N/c2ccc(C)cc2)cc(OC)c1OCC(=O)[O-]	ZINC000059303127	564050697	/nfs/dbraw/zinc/05/06/97/564050697.db2.gz	POZSWNFHDRBSMD-CIAFOILYSA-N	-1	0	339.391	3.946	40	30		EHEBRM
CC(C)[C@]1(O)C=C2C(=O)C[C@@H]3[C@](C)(C(=O)[O-])CCC[C@@]3(C)[C@H]2CC1	ZINC000253389049	564130399	/nfs/dbraw/zinc/13/03/99/564130399.db2.gz	UFEHYRPBLFGEJW-WRYWSJOASA-N	-1	0	334.456	3.580	40	30	biogenic,in-vitro	EHEBRM
COc1ccc(Br)cc1/C=N/c1cccc(C(=O)[O-])c1	ZINC000000365497	563991690	/nfs/dbraw/zinc/99/16/90/563991690.db2.gz	MOKSMMRFDNWRCG-RQZCQDPDSA-N	-1	0	334.169	3.907	40	30		EHEBRM
O=C([O-])COc1ccc(/C=N/c2ccc(F)cc2F)cc1Cl	ZINC000408855506	564007683	/nfs/dbraw/zinc/00/76/83/564007683.db2.gz	DRSITVCQWKWAAX-FBCYGCLPSA-N	-1	0	325.698	3.832	40	30		EHEBRM
O=[N+]([O-])c1cc(Br)c([O-])c(/C=N\c2cccc(O)c2)c1	ZINC000409071195	564009501	/nfs/dbraw/zinc/00/95/01/564009501.db2.gz	FVDKNZRMXTWRKK-CHHVJCJISA-N	-1	0	337.129	3.519	40	30		EHEBRM
CCOc1cc2c(cc1/C=N\c1cccc(C(=O)[O-])c1C)OCO2	ZINC000409104273	564009783	/nfs/dbraw/zinc/00/97/83/564009783.db2.gz	HCQMJTMLTSGTOI-OCKHKDLRSA-N	-1	0	327.336	3.571	40	30		EHEBRM
COc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1ccc(CC#N)cc1	ZINC000223013267	564038765	/nfs/dbraw/zinc/03/87/65/564038765.db2.gz	QPXPFXMILJHJKW-UHFFFAOYSA-N	-1	0	344.436	3.685	40	30		EHEBRM
CC(C)C1=C([O-])C2=C(C(=O)C1=O)[C@@]1(C)CCCC(C)(C)[C@H]1C[C@H]2O	ZINC000059364564	564087886	/nfs/dbraw/zinc/08/78/86/564087886.db2.gz	YVSUCPNWDPTGKM-HTGLOVNISA-N	-1	0	332.440	3.500	40	30		EHEBRM
C=C[C@]1(C)C[C@H](O)[C@@]2(C1)CC[C@@H]1[C@](C)(C(=O)[O-])CCC[C@]1(C)C2=O	ZINC000252505296	564119956	/nfs/dbraw/zinc/11/99/56/564119956.db2.gz	JSXYBZIRJXMIMK-DTVKZUOLSA-N	-1	0	334.456	3.580	40	30	biogenic,in-vitro	EHEBRM
COc1ccc(C=C2SC(=N)C(c3nccs3)=C2[O-])cc1C	ZINC000107541322	564129963	/nfs/dbraw/zinc/12/99/63/564129963.db2.gz	JMHSLFRCXPVMRF-IMFUVDMNSA-N	-1	0	330.434	3.878	40	30		EHEBRM
Cc1ccc([N+](=O)[O-])cc1/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000003148116	564155515	/nfs/dbraw/zinc/15/55/15/564155515.db2.gz	WQHLHIIHSBFUPB-FRKPEAEDSA-N	-1	0	335.703	3.921	40	30		EHEBRM
O=C([O-])c1ccccc1/C=C/C(=O)c1ccc([N+](=O)[O-])c(Cl)c1	ZINC000016448939	211904645	/nfs/dbraw/zinc/90/46/45/211904645.db2.gz	PZLVLLBENLOAKU-SOFGYWHQSA-N	-1	0	331.711	3.843	40	30		EHEBRM
O=C([O-])c1cccc(-n2cccc2/C=N\c2ccc([N+](=O)[O-])cc2)c1	ZINC000409095271	257879972	/nfs/dbraw/zinc/87/99/72/257879972.db2.gz	HGOPYLMSIGMVHR-UNOMPAQXSA-N	-1	0	335.319	3.834	40	30		EHEBRM
Cc1nn(C(C)C)c(C)c1C=[NH+][N-]c1nnc(SC2CCCC2)[n-]1	ZINC000020905161	527590288	/nfs/dbraw/zinc/59/02/88/527590288.db2.gz	FMPIKUFKBOQCPX-RQZCQDPDSA-N	-1	0	347.492	3.680	40	30		EHEBRM
COc1ccc(/C(=C/c2ccc(N(C)CCC#N)cc2)C(=O)[O-])cc1	ZINC000005737916	563548165	/nfs/dbraw/zinc/54/81/65/563548165.db2.gz	ORSDSTCDYBEAHO-RGEXLXHISA-N	-1	0	336.391	3.670	40	30		EHEBRM
CN(C)c1ccc(C=C2SC(=N)C(c3nccs3)=C2[O-])cc1	ZINC000136867382	564000083	/nfs/dbraw/zinc/00/00/83/564000083.db2.gz	HVGGUNMDGCIKCX-JSUBLRMOSA-N	-1	0	329.450	3.627	40	30		EHEBRM
O=C([O-])COc1ccc(C=NNc2ccc(C(F)(F)F)cc2)cc1	ZINC000408935852	564008142	/nfs/dbraw/zinc/00/81/42/564008142.db2.gz	OHZYUNLKUNSDNF-UKWGHVSLSA-N	-1	0	338.285	3.615	40	30		EHEBRM
O=C(COc1ccc(Cl)cc1/C=N/[O-])Nc1ccc(Cl)cc1	ZINC000409219832	564011164	/nfs/dbraw/zinc/01/11/64/564011164.db2.gz	QUMNKGFZWDIUMK-QGMBQPNBSA-N	-1	0	339.178	3.819	40	30		EHEBRM
Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=N\[O-])c(C)c1	ZINC000409267824	564011407	/nfs/dbraw/zinc/01/14/07/564011407.db2.gz	WLPMARRISWFNLN-OCKHKDLRSA-N	-1	0	332.787	3.782	40	30		EHEBRM
CCOc1ccc2ccccc2c1C=Nn1c(=S)[n-]nc1CC	ZINC000005461274	564014050	/nfs/dbraw/zinc/01/40/50/564014050.db2.gz	CXLCYFYIGNLVRU-WOJGMQOQSA-N	-1	0	326.425	3.937	40	30		EHEBRM
C[C@@H](Oc1ccc(C=NNc2ccc3ccccc3n2)cc1)C(=O)[O-]	ZINC000059302928	564050680	/nfs/dbraw/zinc/05/06/80/564050680.db2.gz	NFEVRXUKFIZNEN-HMHKGCENSA-N	-1	0	335.363	3.533	40	30		EHEBRM
CCc1nnc(C2=C([O-])C(=Cc3ccc(F)cc3)SC2=N)s1	ZINC000033663456	564129881	/nfs/dbraw/zinc/12/98/81/564129881.db2.gz	ROZXJXSLEJTTOB-IKKFDYCRSA-N	-1	0	333.413	3.657	40	30		EHEBRM
CC/C=C\C[C@H](O)/C=C/[C@H]1C=CC(=O)[C@@H]1C/C=C\CCCC(=O)[O-]	ZINC000027639197	520204123	/nfs/dbraw/zinc/20/41/23/520204123.db2.gz	KSIRMUMXJFWKAC-FHJHOUOTSA-N	-1	0	332.440	3.832	40	30	in-vitro	EHEBRM
COc1ccc(C=Nn2c(=S)[n-]nc2C2CCCCC2)c(OC)c1	ZINC000002366448	563430555	/nfs/dbraw/zinc/43/05/55/563430555.db2.gz	UTMIIIRHKFSEHC-WQRHYEAKSA-N	-1	0	346.456	3.888	40	30		EHEBRM
N#Cc1c(/N=C/c2cccc(OCC(=O)[O-])c2)sc2c1CCCC2	ZINC000408719961	563617493	/nfs/dbraw/zinc/61/74/93/563617493.db2.gz	ULARPZAHSPNDBX-KEBDBYFISA-N	-1	0	340.404	3.713	40	30		EHEBRM
Cc1ccc(/N=C\c2ccc(O[C@H](C)C(=O)[O-])cc2)cc1[N+](=O)[O-]	ZINC000408819381	564007407	/nfs/dbraw/zinc/00/74/07/564007407.db2.gz	RRJRUKDBIGVINQ-HIPMGEKLSA-N	-1	0	328.324	3.506	40	30		EHEBRM
CCOc1cccc(/N=C\c2ccc(O[C@H](C)C(=O)[O-])c(OC)c2)c1	ZINC000409009232	564008875	/nfs/dbraw/zinc/00/88/75/564008875.db2.gz	CFRNWEWCFAXOAZ-UAAGNOOKSA-N	-1	0	343.379	3.696	40	30		EHEBRM
O=S(=O)([N-]c1ccccn1)c1ccc(/N=C/c2cccs2)cc1	ZINC000005392783	564014032	/nfs/dbraw/zinc/01/40/32/564014032.db2.gz	XUKWUODPJHGUJU-LDADJPATSA-N	-1	0	343.433	3.695	40	30		EHEBRM
CC(C)C(=O)Nc1cccc(/N=C/c2cc([N+](=O)[O-])ccc2[O-])c1	ZINC000005841496	210545528	/nfs/dbraw/zinc/54/55/28/210545528.db2.gz	MJCDXGVRTSMYSC-VCHYOVAHSA-N	-1	0	327.340	3.646	40	30		EHEBRM
CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)cc([N+](=O)[O-])c1[O-]	ZINC000408691960	563571839	/nfs/dbraw/zinc/57/18/39/563571839.db2.gz	ZZPDKGFIKXDGEM-RMKNXTFCSA-N	-1	0	327.336	3.904	40	30		EHEBRM
CCOc1cc([N+](=O)[O-])cc(C=Nc2ccc(C(C)=O)cc2)c1[O-]	ZINC000006758637	563585808	/nfs/dbraw/zinc/58/58/08/563585808.db2.gz	HPYRYYNLRGCMDJ-VCHYOVAHSA-N	-1	0	328.324	3.652	40	30		EHEBRM
Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1ccc([N+](=O)[O-])cc1C	ZINC000408743154	563639878	/nfs/dbraw/zinc/63/98/78/563639878.db2.gz	ZMICCYMULCQSNB-YDDPGSGASA-N	-1	0	336.351	3.644	40	30		EHEBRM
Cc1cc(C(=O)[O-])ccc1/N=C/c1cc(Br)ccc1O	ZINC000000344748	563991422	/nfs/dbraw/zinc/99/14/22/563991422.db2.gz	DZNKLPFCQDXFGN-CAOOACKPSA-N	-1	0	334.169	3.912	40	30		EHEBRM
COc1ccc(C=C2SC(=N)C(c3nccs3)=C2[O-])c(C)c1	ZINC000137458636	564000349	/nfs/dbraw/zinc/00/03/49/564000349.db2.gz	WKPFMEULOFPKOV-CBZGGUPYSA-N	-1	0	330.434	3.878	40	30		EHEBRM
C=CCc1cc(/C=N\c2ccccc2C)cc(OC)c1OCC(=O)[O-]	ZINC000408819302	564007370	/nfs/dbraw/zinc/00/73/70/564007370.db2.gz	PVVGSFHUSDWUNE-MTJSOVHGSA-N	-1	0	339.391	3.946	40	30		EHEBRM
Cc1ccc(/N=C/c2ccc(OCC(=O)[O-])c(Cl)c2)c([N+](=O)[O-])c1	ZINC000408843792	564007503	/nfs/dbraw/zinc/00/75/03/564007503.db2.gz	FWQDJCFVWCVWOH-QGMBQPNBSA-N	-1	0	348.742	3.771	40	30		EHEBRM
O=C([O-])c1cccc(-n2cccc2/C=N\c2cccc([N+](=O)[O-])c2)c1	ZINC000409099681	564009901	/nfs/dbraw/zinc/00/99/01/564009901.db2.gz	RZGWSEQYYZVVKI-UNOMPAQXSA-N	-1	0	335.319	3.834	40	30		EHEBRM
Cc1cc(N2CCOCC2)ccc1/C=N/c1ccc(C(=O)[O-])cc1C	ZINC000409099412	564009905	/nfs/dbraw/zinc/00/99/05/564009905.db2.gz	SETYBNQABNKCPS-FYJGNVAPSA-N	-1	0	338.407	3.589	40	30		EHEBRM
O=C([O-])COc1ccc(Br)cc1/C=N/c1ccccc1	ZINC000409213016	564011098	/nfs/dbraw/zinc/01/10/98/564011098.db2.gz	TWJXORYIQCGWGF-RQZCQDPDSA-N	-1	0	334.169	3.663	40	30		EHEBRM
O=S(=O)([O-])c1ccc(-c2ccc(/C=N/c3ccc(O)cc3)o2)cc1	ZINC000006242610	564083196	/nfs/dbraw/zinc/08/31/96/564083196.db2.gz	KURAPZICTDPRKS-WOJGMQOQSA-N	-1	0	343.360	3.650	40	30		EHEBRM
C=CCc1cccc(/C=N\c2c(C)n(C)n(-c3ccccc3)c2=O)c1O	ZINC000100911830	219110717	/nfs/dbraw/zinc/11/07/17/219110717.db2.gz	PECVJESIQKSBTF-HMAPJEAMSA-N	-1	0	347.418	3.669	40	30		EHEBRM
O=C([O-])c1cc(/N=C\c2ccc(N3CCOCC3)cc2)ccc1Cl	ZINC000409099965	257879732	/nfs/dbraw/zinc/87/97/32/257879732.db2.gz	SFEWCAJRDIYSDM-NDENLUEZSA-N	-1	0	344.798	3.625	40	30		EHEBRM
CCC(N=Nc1ccc(C(=O)[O-])cc1)c1ccc(OC)c(OC)c1	ZINC000020925689	520180668	/nfs/dbraw/zinc/18/06/68/520180668.db2.gz	GMVINSXURQUDPA-HMMYKYKNSA-N	-1	0	328.368	3.628	40	30		EHEBRM
CC/C=C\C[C@H](O)/C=C/[C@H]1C=CC(=O)[C@H]1C/C=C\CCCC(=O)[O-]	ZINC000027639209	520204031	/nfs/dbraw/zinc/20/40/31/520204031.db2.gz	KSIRMUMXJFWKAC-SWQWKVEOSA-N	-1	0	332.440	3.832	40	30	in-vitro	EHEBRM
COc1ccc(OC)c(C=Nn2c(=S)[n-]nc2-c2ccccc2)c1	ZINC000001293966	564003117	/nfs/dbraw/zinc/00/31/17/564003117.db2.gz	MSNVQUHPKANXMH-WQRHYEAKSA-N	-1	0	340.408	3.507	40	30		EHEBRM
Cc1cc([N+](=O)[O-])ccc1/N=C\c1ccc(O[C@H](C)C(=O)[O-])cc1	ZINC000408857394	564007652	/nfs/dbraw/zinc/00/76/52/564007652.db2.gz	UVPORMAHDKFLIS-HIPMGEKLSA-N	-1	0	328.324	3.506	40	30		EHEBRM
CCOc1ccccc1/N=C\c1ccc(O[C@@H](C)C(=O)[O-])c(OC)c1	ZINC000409012497	564008902	/nfs/dbraw/zinc/00/89/02/564008902.db2.gz	KJTDXEZNSSDYSI-RQZLXBNYSA-N	-1	0	343.379	3.696	40	30		EHEBRM
COc1cccc(/C=N\c2cc(C)ccc2C)c1O[C@@H](C)C(=O)[O-]	ZINC000409231124	564011264	/nfs/dbraw/zinc/01/12/64/564011264.db2.gz	HSILNUJEJCIWJW-GNKPEBMXSA-N	-1	0	327.380	3.915	40	30		EHEBRM
COC(=O)c1ccc(/N=C/c2cccn2-c2ccc(C(=O)[O-])cc2)cc1	ZINC000409231263	564011279	/nfs/dbraw/zinc/01/12/79/564011279.db2.gz	JFIAMXOJBCLYQT-FYJGNVAPSA-N	-1	0	348.358	3.713	40	30		EHEBRM
COc1ccc(/C=N/c2ccc(C(=O)[O-])cc2)cc1Br	ZINC000004537154	564027130	/nfs/dbraw/zinc/02/71/30/564027130.db2.gz	DINWKUIABFMVTM-RQZCQDPDSA-N	-1	0	334.169	3.907	40	30		EHEBRM
O=S(=O)([O-])c1ccc(-c2ccc(C=NNc3ccccc3)o2)cc1	ZINC000245228060	564124121	/nfs/dbraw/zinc/12/41/21/564124121.db2.gz	AOTRRKFUKZSBLK-UHFFFAOYSA-N	-1	0	342.376	3.639	40	30		EHEBRM
Cc1cc([N+](=O)[O-])cc(/C=N/c2ccccc2N2CCCC2)c1[O-]	ZINC000038570160	213216161	/nfs/dbraw/zinc/21/61/61/213216161.db2.gz	CPKONZOKVOCRBD-XDHOZWIPSA-N	-1	0	325.368	3.960	40	30		EHEBRM
C[C@H]1CCC[C@H](C(=O)/C(=C/c2cccc(Cl)c2)C(=O)C(=O)[O-])C1	ZINC000005722649	563547422	/nfs/dbraw/zinc/54/74/22/563547422.db2.gz	WXZJANUZVNOTHQ-DJUIBRTDSA-N	-1	0	334.799	3.773	40	30		EHEBRM
CCOc1cccc(/N=C\c2ccc(OCC(=O)[O-])c(Cl)c2)c1	ZINC000408846969	564007536	/nfs/dbraw/zinc/00/75/36/564007536.db2.gz	KVFWNBROIRSMEO-GRSHGNNSSA-N	-1	0	333.771	3.953	40	30		EHEBRM
COc1ccc(-n2cccc2/C=N/Cc2ccc(C(=O)[O-])cc2)cc1	ZINC000140929973	564090338	/nfs/dbraw/zinc/09/03/38/564090338.db2.gz	LVDAOBSSLOCEKV-KGENOOAVSA-N	-1	0	334.375	3.803	40	30		EHEBRM
O=S(=O)([O-])c1ccc(NN=Cc2cccc3ccccc23)cc1	ZINC000006145981	564111838	/nfs/dbraw/zinc/11/18/38/564111838.db2.gz	KPGBZCBUMRGMEG-LDADJPATSA-N	-1	0	326.377	3.533	40	30		EHEBRM
N#Cc1c(=O)[n-]c(-c2ccccc2)c(Br)c1C(F)(F)F	ZINC000003171981	564155636	/nfs/dbraw/zinc/15/56/36/564155636.db2.gz	SHRHGULNKQSURN-UHFFFAOYSA-N	-1	0	343.102	3.695	40	30		EHEBRM