smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
C/C=C/c1cc(OC)c2oc(-c3cc(O)c(O)c(OC)c3)c(C)c2c1	14615965	GXDWYPLNTDWCCT-AATRIKPKSA-N	340.375	4.870	10	1	EJCF	biogenic,in-vitro
CC(=O)Nc1ccc2c(Nc3ccc(N)cc3)c3ccccc3nc2c1	26940400	NIUNXSHUSNJFOD-UHFFFAOYSA-N	342.402	4.672	10	1	EJCF	
Oc1cccc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c12	587078251	MLSWEQSIGOSXCQ-JKDFXYPNSA-N	337.810	4.748	10	1	EJCF	
Oc1[nH]c2ccccc2c1/N=N/c1c(F)c(F)c(F)c(F)c1F	102846208	CVPMFEJGUOBQAT-QURGRASLSA-N	327.212	4.984	10	1	EJCF	
[N-]=[N+]=NCCCCCCc1nc2cc(Br)cc(F)c2[nH]1	587260331	RIXWXPPIWTZOKE-UHFFFAOYSA-N	340.200	4.878	10	1	EJCF	
Nc1ccccc1-c1[nH]c2c(C(=O)O)cccc2c1-c1ccccc1	587638174	NFRRCEODUCKXKO-UHFFFAOYSA-N	328.371	4.782	10	1	EJCF	
CN(C)c1ccc(/C=C/c2cccc(I)c2)cc1	38260631	HGAUMLIZSZITJD-VOTSOKGWSA-N	349.215	4.528	10	1	EJCF	
COC(=O)c1ccc([C@H]2Nc3c(C)cc(C)cc3[C@H]3C=CC[C@H]32)cc1	3636245	XXPNVELGKOEDDE-WAOWUJCRSA-N	333.431	4.917	10	1	EJCF	
O=C1c2ccccc2-c2nnc(-c3ccccc3)c(Cc3ccccc3)c21	13743542	QBGASZYETNGMQF-UHFFFAOYSA-N	348.405	4.946	10	1	EJCF	
COc1cccc(C/N=N/c2ncc(C(F)(F)F)cc2Cl)c1O	169690193	LCERGNPFUQEMAP-QZQOTICOSA-N	345.708	4.752	10	1	EJCF	
CC(C)c1c(O)c(O)c2c(c1O)C(=O)C[C@H]1C(C)(C)CCC[C@@]21C	14774461	DECBSGPKFYQQFD-FKIZINRSSA-N	332.440	4.597	10	1	EJCF	biogenic
Cc1ccc2oc(-c3cc(NC(=O)CN=[N+]=[N-])ccc3Cl)nc2c1	36159041	LYWABDVWLWUGLB-UHFFFAOYSA-N	341.758	4.705	10	1	EJCF	
Nc1ccc(/C=C\c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)cc1	587252166	SAVNLRGKFVVCFO-BASWHVEKSA-N	342.402	4.690	10	1	EJCF	
O=[N+]([O-])c1cccc2nc3ccccc3c(NCc3ccccc3)c12	28754676	CBRVCDIPAJTULE-UHFFFAOYSA-N	329.359	4.908	10	1	EJCF	
Oc1c([C@@H](Nc2cccnc2)c2ccc(F)cc2)ccc2cccnc12	202032174	SLZJYRSUVKUXKQ-IBGZPJMESA-N	345.377	4.676	10	1	EJCF	
CCCCNC(=O)c1c(O)csc1Nc1ccc2ccccc2c1	169730410	LIROOWRCRHFZAS-UHFFFAOYSA-N	340.448	4.880	10	1	EJCF	
Oc1ccccc1CNc1ncccc1-c1cnc2ccccc2c1	621430413	VPCJLQDQHAYOIV-UHFFFAOYSA-N	327.387	4.615	10	1	EJCF	
CN1C=C2Sc3cc(Br)ccc3N=C2c2ccccc21	377825214	FDFRZZRUDSKMAZ-UHFFFAOYSA-N	343.249	4.967	10	1	EJCF	
CCCN1[C@H](C)Cc2ccccc2[C@@H]1c1c(O)cc(OC)cc1Cl	963235024	FGGAFOGTNKYXKU-ZUOKHONESA-N	345.870	4.800	10	1	EJCF	
COCCc1nc(-c2cc(C)n(-c3ccccc3F)c2C)cs1	587922986	ZRSUZAXFBZNRSK-UHFFFAOYSA-N	330.428	4.546	10	1	EJCF	
CC(C)=CCc1cccc2c1oc1oc3cc(O)c(O)cc3c(=O)c12	238752583	QYUIEHPERLKOCH-UHFFFAOYSA-N	336.343	4.612	10	1	EJCF	
CCOC(=O)c1cc(C)n(-c2ccc(O)c(-c3ccccc3)c2)c1C	587927371	UDHDTXVDJBXWFV-UHFFFAOYSA-N	335.403	4.643	10	1	EJCF	
Cc1ccc(-c2cc3c(n2-c2ccc(O)c(C(=O)O)c2)CCCC3)cc1	39194365	ACWOKNHONAJBEJ-UHFFFAOYSA-N	347.414	4.735	10	1	EJCF	
Cc1cc(Cl)cc2c(/N=N/c3ccccc3C(=O)O)c(O)[nH]c12	6425055	FLWAVNJZQRGLOG-FMQUCBEESA-N	329.743	4.949	10	1	EJCF	
CCc1ccc(O)c([C@]2(C)N[C@@H](CC)Cc3c2[nH]c2ccccc32)c1	962940383	ANAHHLPZESFXAK-NYHFZMIOSA-N	334.463	4.624	10	1	EJCF	
COC(=O)c1ccc([C@H]2Nc3c(C)cc(C)cc3[C@@H]3C=CC[C@@H]23)cc1	1461895	XXPNVELGKOEDDE-DBXWQHBBSA-N	333.431	4.917	10	1	EJCF	
COc1ccc2c(c1)[C@@]1(CC=C(C)C)CCN(C)[C@H]1N2CC=C(C)C	299812136	ONFAZZRKNWUZAY-FCHUYYIVSA-N	340.511	4.737	10	1	EJCF	
CC[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2cc(F)c(Cl)cc2O)N1	962958469	UKKATGUDEWLDMM-DGIBIBHMSA-N	344.817	4.680	10	1	EJCF	
COc1cc(C2=NN(c3ccccc3)[C@@H](c3ccccc3)C2)ccc1O	653740497	XFJDXQUNBLNXMY-HXUWFJFHSA-N	344.414	4.757	10	1	EJCF	
C[C@H](SC(=O)Nc1ccc(/N=N/c2ccccc2)cc1)C(=O)O	5887540	BTLZOCHJGPCZEV-JPFDUWQRSA-N	329.381	4.840	10	1	EJCF	
CCOc1ccccc1-c1ccc2c(c1)C(=O)C(=O)c1ccccc1-2	13862844	DESZZYBCSWNYKL-UHFFFAOYSA-N	328.367	4.798	10	1	EJCF	
CC(=O)Nc1ccc2c(Nc3ccccc3)c3ccccc3[n+](C)c2c1	55894711	AJILMOOTMGLEHE-UHFFFAOYSA-O	342.422	4.520	10	1	EJCF	
CC(C)(N=[N+]=[N-])c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2	586986668	FAGLPCGTCIOWJU-UHFFFAOYSA-N	330.347	4.697	10	1	EJCF	
CN(C)CC/C=C1\c2cc(Cl)ccc2Sc2cccc(N)c21	27992556	AOMGJFKTPMMEGM-WLRTZDKTSA-N	330.884	4.770	10	1	EJCF	
CN(C)c1ccc([C@@H]2CC(c3cccnc3)=NN2c2ccccc2)cc1	103202547	GQZWWRMRSOPDBC-QFIPXVFZSA-N	342.446	4.503	10	1	EJCF	
CN(C)c1ccc([C@@H]2Nc3ccccc3N=C3CCCC(O)=C32)cc1	104004948	BEOKTEIPBFIYQO-NRFANRHFSA-N	333.435	4.988	10	1	EJCF	
COC(=O)/N=[N+](\[O-])C(c1ccc(Cl)cc1)c1ccc(Cl)cc1	1858613	ZYHCCMXZZJEYNG-HNENSFHCSA-N	339.178	4.812	10	1	EJCF	
CCN(Cc1c[nH]cn1)c1ccc(-c2nc3ccccc3s2)cc1	96937922	KUIOELMGPFXPNX-UHFFFAOYSA-N	334.448	4.713	10	1	EJCF	
O=[N+]([O-])c1cccc2nc3ccccc3c(NCCc3ccccc3)c12	28756184	CVZXBJSINYFZBB-UHFFFAOYSA-N	343.386	4.951	10	1	EJCF	
C[C@H]1CCc2c(cc(-c3ccccc3)n2-c2ccc(O)c(C(=O)O)c2)C1	39194392	LSISLFZIWWTXOY-AWEZNQCLSA-N	347.414	4.673	10	1	EJCF	
[N-]=[N+]=NCCCCCCc1nc2cc(Br)c(F)cc2[nH]1	587260553	UEGMKKAIOLNLME-UHFFFAOYSA-N	340.200	4.878	10	1	EJCF	
Cc1ccnc2[nH]c([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)nc12	587081072	RBFBDFDLWOTQIY-AHIWAGSCSA-N	336.826	4.746	10	1	EJCF	
CC(=O)N[C@@H](c1ccccc1)c1c(O)ccc2oc3ccccc3c12	72170921	VDEGJEFQCGVAIH-NRFANRHFSA-N	331.371	4.517	10	1	EJCF	
CN(C)c1ccc([C@@H]2CC(c3ccncc3)=NN2c2ccccc2)cc1	103221765	DPEVQSMNWZOTQE-QFIPXVFZSA-N	342.446	4.503	10	1	EJCF	
Cc1cc(C2=NN[C@H](c3ccc(N4CCCCC4)cc3)C2)c(C)s1	103223399	DBYMXPIIDJSMRI-IBGZPJMESA-N	339.508	4.794	10	1	EJCF	
Cc1cc(-c2nnc3n2CCCCC3)c(C)n1-c1ccc(Cl)cc1	103225950	ABOHKJIFAQARLX-UHFFFAOYSA-N	340.858	4.732	10	1	EJCF	
CCCN1[C@@H](C)Cc2ccccc2[C@H]1c1c(O)cc(OC)cc1Cl	963235021	FGGAFOGTNKYXKU-RBZFPXEDSA-N	345.870	4.800	10	1	EJCF	
C[C@@H]1CCc2c(cc(-c3ccccc3)n2-c2ccc(O)c(C(=O)O)c2)C1	39194390	LSISLFZIWWTXOY-CQSZACIVSA-N	347.414	4.673	10	1	EJCF	
Cn1c2c(c3ccccc31)C[C@@H](CCCOc1ccc(N)cc1)CC2	27310795	DDCISLCPYNYVEX-INIZCTEOSA-N	334.463	4.725	10	1	EJCF	
O=C1c2ccccc2-c2cc(-c3sccc3O)nc3ccc(O)c1c23	586993071	DOMNMSMWOVOSDX-UHFFFAOYSA-N	345.379	4.586	10	1	EJCF	
CCc1c(C(=O)N[C@H](C)c2ccccc2)cc(C)n1-c1ccccc1	1772580043	LIJXONKSNLKXIX-QGZVFWFLSA-N	332.447	4.839	10	1	EJCF	
Clc1ccc(C2=NN[C@@H](c3ccc(N4CCCCC4)cc3)C2)s1	103221546	OTMXWEBSYOQBTM-OAHLLOKOSA-N	345.899	4.831	10	1	EJCF	
C[C@]1(c2ccc(F)cc2O)NCCc2cc(-c3ccccc3)ccc21	962665233	HAYOUJPRTVIJJC-QFIPXVFZSA-N	333.406	4.608	10	1	EJCF	
COc1cccc([C@H]2Nc3ccc(C(C)=O)cc3[C@@H]3C=CC[C@H]23)c1OC	972027	PFQLKUOLASFGDB-XFQAVAEZSA-N	349.430	4.733	10	1	EJCF	
Oc1[nH]c2ccccc2c1/N=N\c1ncnc2c1oc1ccccc12	102701939	YWWKVXLUTGCJAZ-FCQUAONHSA-N	329.319	4.978	10	1	EJCF	
CCCCCCNCCCCCCN(CCCCCC)/[N+]([O-])=N/O	27562943	QAZVWXHHSQOWAB-XDOYNYLZSA-N	344.544	4.866	10	1	EJCF	
Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccccc3[nH]1)[C@@H]1CC=C[C@H]21	587276641	NLFMAEDWPFFFPW-KSMMKXTCSA-N	346.390	4.606	10	1	EJCF	
Clc1cccc(N2CCN(/C=C/N=N/c3ccccc3)CC2)c1	40949580	BWKXIUAYHPFAAE-XPANUOEUSA-N	326.831	4.717	10	1	EJCF	
CCOc1ccc(NC(=S)/N=N/c2c(O)[nH]c3ccccc23)cc1	101586492	BNGOHMKFOIOFSS-QZQOTICOSA-N	340.408	4.753	10	1	EJCF	
CC1(C)CCC[C@]2(C)[C@@H]1CC[C@]1(C)Oc3cc(O)c(O)cc3[C@@H](O)[C@H]12	2356336861	QZRKEBRHGKYJHJ-IAVZTARUSA-N	346.467	4.525	10	1	EJCF	
Cc1cncc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c12	587078001	DYTLWTKSWDBJDO-JCGVRSQUSA-N	336.826	4.746	10	1	EJCF	
[N-]=[N+]=NCCCCCCc1nc2ccc(Br)c(F)c2[nH]1	587259560	DWQURDJOWPBLBJ-UHFFFAOYSA-N	340.200	4.878	10	1	EJCF	
CC1(C)CCC[C@]2(C)c3c(oc4c(C=O)c(O)c(O)cc34)CC[C@@H]12	66251292	YFEFNNZGSCKYFS-YWZLYKJASA-N	328.408	4.687	10	1	EJCF	
N=C(N)c1ccc(N=Nc2c(O)ccc3c2[nH]c2ccccc23)cc1	261143217	NKCSZKQZGVWLRM-UHFFFAOYSA-N	329.363	4.726	10	1	EJCF	
COc1ccc(/N=N\c2nc3ccc(Br)cc3n2C)cc1	18038292	FZNBIBWHUXFOMF-HNENSFHCSA-N	345.200	4.760	10	1	EJCF	
C[C@@H](SC(=O)Nc1ccc(/N=N/c2ccccc2)cc1)C(=O)O	6442677	BTLZOCHJGPCZEV-VFGLMNNVSA-N	329.381	4.840	10	1	EJCF	
Nc1ccc(Oc2ccc3nc(-c4cnc(Cl)s4)[nH]c3c2)cc1	587023452	QEXMJEQVXKXBLB-UHFFFAOYSA-N	342.811	4.714	10	1	EJCF	
Cc1ccc(C)n1-c1ccc(F)c(C(=O)OCc2ccccc2)c1F	587944030	WTNYHNLMTHJIFN-UHFFFAOYSA-N	341.357	4.729	10	1	EJCF	
NCCCCCCCC(=O)Nc1c2ccccc2nc2ccccc12	45394559	QOSWCDXJGVIHSC-UHFFFAOYSA-N	335.451	4.626	10	1	EJCF	
CC1(C)CCC[C@@]2(C)[C@H]3[C@H](O)c4cc(O)c(O)cc4O[C@@]3(C)CC[C@H]12	2356336864	QZRKEBRHGKYJHJ-VLFNSIGCSA-N	346.467	4.525	10	1	EJCF	
COc1ccc(N(Cc2ccccc2)Cc2ccccc2OC)cc1	28864045	PHOIXQVJBPLHJH-UHFFFAOYSA-N	333.431	4.911	10	1	EJCF	
NC(=O)/C=C\c1ccc(Nc2c3ccccc3nc3ccccc23)cc1	111468634	KKBVEGAOULRGTK-KAMYIIQDSA-N	339.398	4.630	10	1	EJCF	
Cc1cccc2c(Nc3cc(N)cc(CO)c3)c3ccccc3nc12	27524760	XHBYURUZBMRTPH-UHFFFAOYSA-N	329.403	4.515	10	1	EJCF	
Nc1ccc(Oc2ccc3nc(-c4ncccc4Cl)[nH]c3c2)cc1	587064509	CCDUPDDGSHDMJI-UHFFFAOYSA-N	336.782	4.653	10	1	EJCF	
CC1=NN(c2ccccc2)C(=O)[C@@H]1N=Nc1ccc2ccccc2c1	263592028	ZRCODUVJYPCUIW-LJQANCHMSA-N	328.375	4.715	10	3	EJCF	
Cc1ccc(Sc2ccc(/C=C3\SC(=S)NC3=O)cc2)cc1	96174910	IODJJMFTTGGLEP-GDNBJRDFSA-N	343.498	4.635	10	1	EJCF	
Cc1cccc(NCc2oc3c(c2C)C(=O)C(=O)c2ccccc2-3)c1	169353734	NKHICIPDXXAWCZ-UHFFFAOYSA-N	331.371	4.555	10	1	EJCF	
CCN1/C(=C/c2sc3ccc(O)cc3[n+]2CC)C=Cc2ccccc21	3144277	FCSVXKZFDYAYGQ-UHFFFAOYSA-O	349.479	4.809	10	1	EJCF	
COc1ccc(-n2c(C)cc(-c3cn4cccc(C)c4n3)c2C)cc1	6315346	COCBYRVBQBGVBL-UHFFFAOYSA-N	331.419	4.726	10	3	EJCF	
Cc1ccc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c2n1	587078220	LKAIWSMGJWINBG-AHIWAGSCSA-N	336.826	4.746	10	1	EJCF	
Nc1ccc(CCCCCCC(=O)c2ncc(-c3ccccn3)o2)cc1	14979840	SDGIPPVYUCFLJH-UHFFFAOYSA-N	349.434	4.695	10	1	EJCF	
Nc1c2ccccc2nc2c(C(=O)NC3CCCCCCC3)cccc12	29484491	TWPPIOXANZYEKT-UHFFFAOYSA-N	347.462	4.813	10	1	EJCF	
CCc1ccc(O)c([C@@]2(C)N[C@H](CC)Cc3c2[nH]c2ccccc32)c1	962940380	ANAHHLPZESFXAK-IVZQSRNASA-N	334.463	4.624	10	1	EJCF	
Cc1ccc([C@H](c2c(O)ccc3ccccc23)N2CCCC2=O)cc1	1772584276	DFWOIMNMFISGKU-JOCHJYFZSA-N	331.415	4.566	10	1	EJCF	
O=C1c2ccccc2-c2nnc(-c3cc(Cl)cc(Cl)c3)cc21	13743557	GJFQNIZIFIUOHN-UHFFFAOYSA-N	327.170	4.662	10	1	EJCF	
COc1ccc(-c2ccc3c(c2O)[C@@H](C)N[C@@H](C)C3)c2cccc(O)c12	2356634830	ONUSTFMKUSUFST-QWHCGFSZSA-N	349.430	4.522	10	1	EJCF	
CC(C)CC1=CC(=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)O1	2356807288	YWSSITDYDZHAEL-UHFFFAOYSA-N	339.347	4.725	10	1	EJCF	
COc1cccc2ccc(-c3ccc4c(c3O)[C@H](C)N[C@@H](C)C4)c(O)c12	2356439914	HYUDBOHUNQWCFT-STQMWFEESA-N	349.430	4.522	10	1	EJCF	
Nc1ccc(Oc2ccc3nc([C@H]4C[C@@H]4C(F)(F)F)[nH]c3c2)cc1	587092898	HYSVHUUEGPEGEN-STQMWFEESA-N	333.313	4.603	10	1	EJCF	
Cc1ccc(-c2[nH]c3c(C(=O)O)cccc3c2-c2ccncc2)cc1	587639388	UKUIYAGRGJJYMW-UHFFFAOYSA-N	328.371	4.904	10	1	EJCF	
Cc1ccc(-c2[nH]c3c(C(=O)O)cccc3c2-c2ccccn2)cc1	587638271	DXXHSNPNBLRKEP-UHFFFAOYSA-N	328.371	4.904	10	1	EJCF	
COc1ccc(-c2ccc(O)c3c2C[C@H](C)N[C@H]3C)c2cccc(O)c12	2356459505	OOSPLYIJBZLXJU-STQMWFEESA-N	349.430	4.522	10	1	EJCF	
C[C@H](/N=N/c1nc(-c2ccc([N+](=O)[O-])cc2)cs1)c1ccncc1	169728147	IFPUYGLUCIWUCG-ASMYIELASA-N	339.380	4.958	10	1	EJCF	
Oc1ccc(C(F)(F)F)cc1CNCC12CC3CC(CC(C3)C1)C2	299865066	NCEFJWSGYJAPGK-UHFFFAOYSA-N	339.401	4.717	10	1	EJCF	
COc1cc(C)ccc1-c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1	587925768	PRDHTACZIXDSJF-UHFFFAOYSA-N	345.402	4.921	10	1	EJCF	
COc1ccc(CCCc2ccc(CN3CCCCC3)c(O)c2)cc1	198913639	OHJYGQQDOIHZOF-UHFFFAOYSA-N	339.479	4.562	10	1	EJCF	
COCCCc1nc(-c2cc(C)n(-c3ccccc3F)c2C)cs1	587922040	HRSNXHMGLATKLT-UHFFFAOYSA-N	344.455	4.936	10	1	EJCF	
COc1cc2ncnc(/N=N/c3ccc(F)c(Cl)c3)c2cc1OC	12341531	NGTVEVLNKYECME-QURGRASLSA-N	346.749	4.855	10	1	EJCF	
O=C1OC(c2ccc3ccccc3c2)=C/C1=C\c1ccccc1[N+](=O)[O-]	1857582816	MKIZDPILCQKQNY-LDADJPATSA-N	343.338	4.729	10	1	EJCF	
CC(C)NCc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O	45301971	AABPDTNIHDZCPD-UHFFFAOYSA-N	341.842	4.835	10	1	EJCF	
CC(C)=CCC[C@H](C)c1ccc(C)c(CNCCCCC(=O)O)c1O	299835838	YEEUDGILEZTLTR-INIZCTEOSA-N	347.499	4.895	10	1	EJCF	
Oc1ccc(Cl)c(F)c1[C@H]1NCCc2c(Cl)cc(Cl)cc21	963119519	GYSYQOBPWJTUNA-HNNXBMFYSA-N	346.616	4.727	10	1	EJCF	
COC(=O)c1ccc([C@H]2Nc3c(C)cc(C)cc3[C@H]3C=CC[C@@H]32)cc1	169300409	XXPNVELGKOEDDE-BBTUJRGHSA-N	333.431	4.917	10	1	EJCF	
C[n+]1c(/C=C/c2c[nH]c3ccccc23)cc(N)c2ccc(Cl)cc21	96914084	BRSVWXJTHXRBIJ-UHFFFAOYSA-O	334.830	4.552	10	1	EJCF	
C[C@@H](/N=N/c1nccnc1Cl)c1ccc(Br)cc1	169690804	WKTSBODAZXHBAP-MJABNSBKSA-N	325.597	4.737	10	1	EJCF	
C[C@@H]1CCc2sc(C(=O)/N=N\c3c(O)[nH]c4ccccc34)cc2C1	13120436	IDTLLEGPJGIDAJ-ANVJASRSSA-N	339.420	4.984	10	1	EJCF	
O=C(Nc1ccccc1)Nc1ccc(NCc2ccccc2O)cc1	71294363	QCPFSPVNYQSHEH-UHFFFAOYSA-N	333.391	4.648	10	1	EJCF	
Cc1[nH]c2ccccc2c1/N=N/c1c(C)n(C)n(-c2ccccc2)c1=O	101857880	MHIANZCPSGPKQH-GHVJWSGMSA-N	345.406	4.690	10	1	EJCF	
C[C@H]1CCc2sc(C(=O)/N=N\c3c(O)[nH]c4ccccc34)cc2C1	13120437	IDTLLEGPJGIDAJ-MYOPITJTSA-N	339.420	4.984	10	1	EJCF	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-n3c(C)ccc3C)cc1)O2	587389331	HKRPICYAUHJHRZ-OAQYLSRUSA-N	346.430	4.691	10	1	EJCF	
CCCOc1ccc(/N=N/c2cc(OC)c(OC)c(OC)c2)cc1O	1857645456	VPJMPAMPFHLNQO-FMQUCBEESA-N	346.383	4.622	10	1	EJCF	
CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cc(F)c(Cl)cc2O)N1	962958474	UKKATGUDEWLDMM-GIGQVBGESA-N	344.817	4.680	10	1	EJCF	
CN(C)c1ccc([C@H]2CC(c3ccccn3)=NN2c2ccccc2)cc1	103202545	PPIRJARGIKDFBJ-JOCHJYFZSA-N	342.446	4.503	10	1	EJCF	
CC[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2cc(F)c(Cl)cc2O)N1	962958482	UKKATGUDEWLDMM-OVWNDWIMSA-N	344.817	4.680	10	1	EJCF	
Cc1cc2c(cc1F)[C@@](C)(c1ccc(N3CCCCC3)cc1)NCC2	962089127	GCWXAKRYGSBDGB-JOCHJYFZSA-N	338.470	4.534	10	1	EJCF	
Cc1cc(-c2nnc3n2CCCCC3)c(C)n1-c1cccc(Cl)c1	103225947	UDWPNWGFSDYVPQ-UHFFFAOYSA-N	340.858	4.732	10	1	EJCF	
CC(C)=CCC[C@H](C)c1ccc(C)c(CNCC2CCNCC2)c1O	299833553	PXDGBOJRIRLIOH-KRWDZBQOSA-N	344.543	4.640	10	1	EJCF	
CCOc1ccc(O)c([C@@H]2NCCc3cccc(-c4ccccc4)c32)c1	962669190	PHYKJXCCSXYNER-QHCPKHFHSA-N	345.442	4.693	10	1	EJCF	
Cc1nccc2[nH]c([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)nc12	587078576	WITINZXXMVUPOC-JCGVRSQUSA-N	336.826	4.746	10	1	EJCF	
CC1(C)CCC[C@@]2(C)[C@H]3[C@@H](O)c4cc(O)c(O)cc4O[C@@]3(C)CC[C@H]12	2356336863	QZRKEBRHGKYJHJ-QIYLELGZSA-N	346.467	4.525	10	1	EJCF	
O=[N+]([O-])c1c(Cl)cc(O)c2c1[C@H]1C=CC[C@@H]1[C@@H](c1ccccc1)N2	19831023	IVWNHJKZDBXOMY-MQIPJXDCSA-N	342.782	4.780	10	1	EJCF	
CN(C)Cc1ccc(Nc2c3ccccc3nc3cc(N)ccc23)cc1	29307841	VBZYGKUXQKKJFM-UHFFFAOYSA-N	342.446	4.775	10	1	EJCF	
CCCN1[C@@H](C)Cc2ccccc2[C@@H]1c1c(O)cc(OC)cc1Cl	963235022	FGGAFOGTNKYXKU-RNODOKPDSA-N	345.870	4.800	10	1	EJCF	
C[C@H]1CC(=O)c2c3c(n(Cc4ccccc4)c2C1)-c1ccccc1C3=O	6488673	WYINNZZVYRVTCS-CQSZACIVSA-N	341.410	4.513	10	1	EJCF	
COc1ccccc1-c1ccc(OCc2cc(C(=O)O)oc2C)cc1	141200789	BCLCKUBMZHFDBT-UHFFFAOYSA-N	338.359	4.541	10	1	EJCF	
CCN1/C(=C\C=C\c2oc3ccccc3[n+]2CC)Oc2ccccc21	106856	VZUFSMBGWBLOCB-UHFFFAOYSA-N	333.411	4.514	10	1	EJCF	
CCN(CC)c1ccc(/C=C/c2ccc3ccccc3[n+]2C)c(OC)c1	1772593600	UIMXUBOPCRXDAL-UHFFFAOYSA-N	347.482	4.690	10	1	EJCF	
Cc1cc(/N=N/[C@H](C)c2ccccc2O)nc(-c2ccccc2O)n1	169689598	MFHDZZQMIKLPRY-IKYLFJRQSA-N	334.379	4.708	10	1	EJCF	
C[C@H](/N=N/c1nccnc1Cl)c1ccc(Br)cc1	169690805	WKTSBODAZXHBAP-BZQGDAOHSA-N	325.597	4.737	10	1	EJCF	
Cc1ccc(N=Nc2c(O)ccc3cc(S(=O)(=O)O)ccc23)cc1	263607879	SMQYMAVYZRHNIE-UHFFFAOYSA-N	342.376	4.516	10	1	EJCF	
CN(C)c1ccc(/C=C/c2ccc(I)cc2)cc1	45254581	RCVUDYJMEJWTNN-ONEGZZNKSA-N	349.215	4.528	10	1	EJCF	
Cc1ccc2oc(/C=C/C=C3\Sc4ccccc4N3C)[n+](C)c2c1	169323889	BHLYAYXECYVGTM-UHFFFAOYSA-N	335.452	4.662	10	1	EJCF	
Cc1c(-c2ccc(O)c(O)c2)n(Cc2ccccc2)c2ccc(O)cc12	169348627	ROIRXAWYRNJMCN-UHFFFAOYSA-N	345.398	4.782	10	1	EJCF	
Oc1c(Cl)cccc1[C@H]1NCCc2cccc(-c3ccccc3)c21	962666829	SLGPWDOYKUMTCJ-HXUWFJFHSA-N	335.834	4.948	10	1	EJCF	
CC(C)CC1=NN(c2ccc(F)cc2)C(=O)[C@@H]1Sc1ccccc1	101872633	VAOYFDLMCMEBPP-GOSISDBHSA-N	342.439	4.735	10	1	EJCF	
CCOc1ccc(NC(=S)N=Nc2c(O)[nH]c3ccccc23)cc1	299812505	BNGOHMKFOIOFSS-UHFFFAOYSA-N	340.408	4.753	10	1	EJCF	
CC[C@H]1OCCC[C@H]1c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1	586912720	OTKYCOPMYCOHLO-VQIMIIECSA-N	337.423	4.610	10	1	EJCF	
S=C(Nc1ccccn1)Nc1c2ccccc2nc2ccccc12	95573425	SVPAFAKVXDQQFB-UHFFFAOYSA-N	330.416	4.592	10	1	EJCF	
Nc1ccc(Oc2ccc3nc(COc4ccc(F)cc4)[nH]c3c2)cc1	587169011	QARKIGGNHJKRJU-UHFFFAOYSA-N	349.365	4.656	10	1	EJCF	
O=C(O)c1ccc(Nc2c3ccccc3nc3ccccc23)c(O)c1	26842299	PJCREJCNBYAPGT-UHFFFAOYSA-N	330.343	4.535	10	1	EJCF	
CN(C)c1ccc(Nc2c3ccccc3nc3cc(N)ccc23)cc1	29250408	TVEFLIUQTOCYTL-UHFFFAOYSA-N	328.419	4.780	10	1	EJCF	
O=C(CNc1cccc2ccccc12)/N=N/c1c(O)[nH]c2ccccc12	103969980	COSQDPUBMCWVRJ-WCWDXBQESA-N	344.374	4.749	10	1	EJCF	
COc1cccc(N[C@H](c2cccc(C)c2O)[C@@H]2CCCCC2=O)c1	66251525	YRAMYGHNHGGDSB-XLIONFOSSA-N	339.435	4.622	10	1	EJCF	
Cc1ccc(NC(=O)c2cc3cc(C)c4ccccc4c3oc2=O)cc1	73386633	CUOLTBHVQFTORE-UHFFFAOYSA-N	343.382	4.815	10	1	EJCF	
COc1ccc(/N=N/c2c(C(=O)O)[nH]c3ccc(Cl)cc23)cc1	1857534145	XKWXRWKPOHINTE-FMQUCBEESA-N	329.743	4.944	10	1	EJCF	
CCCC/C=C\c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O	587965603	NSWTWHHEJYXKPB-YHYXMXQVSA-N	330.387	4.542	10	1	EJCF	
Nc1ccc(Nc2nc(-c3cccc(F)c3)nc3ccc(F)cc23)cc1	72114358	GAMWDROATZSSHI-UHFFFAOYSA-N	348.356	4.901	10	1	EJCF	
CS(=O)(=O)c1ccc(Nc2c3ccccc3nc3ccccc23)cc1	5319698	NUWGTTGEQBXVJY-UHFFFAOYSA-N	348.427	4.535	10	1	EJCF	
O=C1OC(c2ccc3ccccc3c2)=C/C1=C\c1ccc([N+](=O)[O-])cc1	1857580719	UBFYTLKYIAARCF-WOJGMQOQSA-N	343.338	4.729	10	1	EJCF	
CCN1C(=O)/C(=C/c2csc3ccc(Cl)cc23)SC1=S	84668922	ZFINASAOKFDILL-XGICHPGQSA-N	339.894	4.776	10	1	EJCF	
Cc1cc(C(=O)O)c2[nH]c(-c3ccc(-n4c(C)ccc4C)cc3)nc2c1	168611916	USIITSSKLSQYFA-UHFFFAOYSA-N	345.402	4.644	10	1	EJCF	
Oc1[nH]c2ccccc2c1/N=N\c1c(F)c(F)c(F)c(F)c1F	102846206	CVPMFEJGUOBQAT-DQRAZIAOSA-N	327.212	4.984	10	1	EJCF	
O=C(N=Nc1c(O)[nH]c2ccccc12)c1cc2ccccc2cc1O	617960321	PDPLNDWWYQOFIK-UHFFFAOYSA-N	331.331	4.656	10	1	EJCF	
O=C(C(=O)c1cn(Cc2ccccc2)c2ccccc12)c1cccs1	96934963	QOBRGTDQFMFYEQ-UHFFFAOYSA-N	345.423	4.817	10	1	EJCF	
COc1ccc(-c2ccc3c(c2O)[C@H](C)N[C@H](C)C3)c2cccc(O)c12	2356634829	ONUSTFMKUSUFST-OLZOCXBDSA-N	349.430	4.522	10	1	EJCF	
CC=Cc1cc(OC)c2oc(-c3cc(O)c(O)c(OC)c3)c(C)c2c1	2356668173	GXDWYPLNTDWCCT-UHFFFAOYSA-N	340.375	4.870	10	1	EJCF	
C=C1C=C(C)n2nc(N)c(N=Nc3cccc(C(F)(F)F)c3)c2N1	957624372	DWGSEKOUXVWTRV-UHFFFAOYSA-N	334.305	4.700	10	1	EJCF	
COc1ccc([C@H]2CC(c3ccccc3)=NN2c2ccc(N)cc2)cc1	4030220	MABUXSYOWQWPPM-JOCHJYFZSA-N	343.430	4.633	10	3	EJCF	
Cn1c2c(c3ccccc31)C[C@H](CCCOc1ccc(N)cc1)CC2	27310790	DDCISLCPYNYVEX-MRXNPFEDSA-N	334.463	4.725	10	1	EJCF	
CCOc1ccc(NC(=S)/N=N\c2c(O)[nH]c3ccccc23)cc1	13122242	BNGOHMKFOIOFSS-MRCUWXFGSA-N	340.408	4.753	10	1	EJCF	
COc1cccc2ccc(-c3ccc4c(c3O)[C@H](C)N[C@H](C)C4)c(O)c12	2356439912	HYUDBOHUNQWCFT-OLZOCXBDSA-N	349.430	4.522	10	1	EJCF	
C[C@H](/N=N/c1nc(-c2ccc([N+](=O)[O-])cc2)cs1)c1ccccn1	169728115	JJPLJCJBWBBSSW-ASMYIELASA-N	339.380	4.958	10	1	EJCF	
Cc1ccc(-n2c(C)cc(C/N=N/c3ccc([N+](=O)[O-])cn3)c2C)cc1	169688372	TYAXNNANFWEBGJ-QURGRASLSA-N	349.394	4.990	10	1	EJCF	
Oc1ccccc1C/N=N/c1nc(O)c(Cc2ccc(F)cc2)s1	169689606	KCOFUUOBBSRXNP-XUTLUUPISA-N	343.383	4.568	10	1	EJCF	
CC1(C)CCC[C@@]2(C)[C@@H]1CC[C@@]1(C)Oc3cc(O)c(O)cc3C(=O)[C@H]21	14683854	UVKYMKMZOUXEAN-FRTACKCFSA-N	344.451	4.674	10	3	EJCF	
COc1cccc([C@H]2Nc3ccc(C(C)=O)cc3[C@H]3C=CC[C@@H]32)c1OC	12380181	PFQLKUOLASFGDB-QYWGDWMGSA-N	349.430	4.733	10	1	EJCF	
Nc1ccc(Oc2ccc3nc([C@H]4CCCC(=O)CC4)[nH]c3c2)cc1	586888068	WDUCXCQSEMECCA-ZDUSSCGKSA-N	335.407	4.554	10	1	EJCF	
O=C1c2ccccc2-c2cc(-c3sccc3O)nc3cccc1c23	587209939	XYKUBZPNIQNWIM-UHFFFAOYSA-N	329.380	4.880	10	1	EJCF	
CC1(C)CCC[C@]2(C)[C@@H]1CC[C@]1(C)Oc3cc(O)c(O)cc3[C@H](O)[C@H]12	2356336862	QZRKEBRHGKYJHJ-QBVCYTKMSA-N	346.467	4.525	10	1	EJCF	
O=C(CCc1c[nH]c2ccccc12)N=Nc1c(O)[nH]c2ccccc12	299813253	AZZOYNSJVLQNKP-UHFFFAOYSA-N	332.363	4.598	10	1	EJCF	
O=[N+]([O-])c1cccc(-c2csc(/N=N/Cc3cccc(O)c3)n2)c1	169692252	GFQSZZFVYBCNJH-HTXNQAPBSA-N	340.364	4.708	10	1	EJCF	
CC(C)=CCc1c(O)c(O)cc2c3c(oc12)-c1ccc(O)cc1OC3	43064003	FRLCRXOQCLBSAQ-UHFFFAOYSA-N	338.359	4.618	10	1	EJCF	biogenic
Oc1c([C@H](Nc2cccnc2)c2ccc(F)cc2)ccc2cccnc12	202032149	SLZJYRSUVKUXKQ-LJQANCHMSA-N	345.377	4.676	10	1	EJCF	
CC(C)CCn1c(O)c(/N=N/C(=O)c2ccco2)c2ccccc21	101558948	BWQOHGWHQAHWNS-FMQUCBEESA-N	325.368	4.910	10	1	EJCF	
O=C(O)c1cccc2c1N[C@@H](c1ccc(Cl)cc1)[C@H]1CC=C[C@@H]21	169300656	DEPBWVRTJQCADN-KEYYUXOJSA-N	325.795	4.865	10	1	EJCF	
Cc1ccc2nc3cc(Cl)ccc3c(NCCCN(C)C)c2c1	28009920	SBOPCMBWLYLGJB-UHFFFAOYSA-N	327.859	4.713	10	1	EJCF	
[N-]=[N+]=NCCCCCCc1nc2cc(F)cc(Br)c2[nH]1	587259623	GBTXXZATWMJDOU-UHFFFAOYSA-N	340.200	4.878	10	1	EJCF	
CCCCN(Cc1cc(C)cc(C)c1O)C(=O)Nc1ccccc1	45338237	WFLDRBAFYGEDNV-UHFFFAOYSA-N	326.440	4.843	10	1	EJCF	
CN1C=CC(=Cc2sc3ccccc3[n+]2C)c2cc(Cl)ccc21	1857565481	PEAYAZRCJRROTM-UHFFFAOYSA-N	339.871	4.883	10	1	EJCF	
COc1ccc(N(Cc2ccccc2)[C@H]2CCN(C)C(C)(C)C2)cc1	40834302	QZTJPXKMMNUCBP-FQEVSTJZSA-N	338.495	4.575	10	1	EJCF	
Cc1cc2c(n1-c1cc(F)c(Br)cc1F)CCCC2	587944199	ZOWMKLBOVGUKAB-UHFFFAOYSA-N	326.184	4.705	10	1	EJCF	
CC[C@H]1Cc2c([nH]c3ccccc23)[C@](C)(c2cccc(Cl)c2O)N1	962946718	AHLBTFHACUFZFA-YUNKPMOVSA-N	340.854	4.715	10	1	EJCF	
CC[C@@H]1OCCC[C@@H]1c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1	586912717	OTKYCOPMYCOHLO-LPHOPBHVSA-N	337.423	4.610	10	1	EJCF	
CCn1c(C)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c2ccccc21	587390190	KZDAHZSJHGASHK-IBGZPJMESA-N	334.419	4.567	10	1	EJCF	
CCC[C@@H](c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O)C(C)C	587956788	WNAKZUOFFPNALQ-CYBMUJFWSA-N	346.430	4.878	10	1	EJCF	
O=C(O)Cc1cccc(Nc2c3ccccc3nc3ccccc23)c1	26941422	NNNIHSZIBZTBPO-UHFFFAOYSA-N	328.371	4.759	10	1	EJCF	
COc1cccc(-c2ccc(OCc3cc(C(=O)O)oc3C)cc2)c1	142287057	UWQXYSFQYPRERE-UHFFFAOYSA-N	338.359	4.541	10	1	EJCF	
CCOCc1ccc(-c2nc3cc(Oc4ccc(N)cc4)ccc3[nH]2)o1	586902884	HRTQWRVYINMUDM-UHFFFAOYSA-N	349.390	4.734	10	1	EJCF	
Cc1ccc(OCc2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)cc1	587565420	HQASZMLMFTYBCB-UHFFFAOYSA-N	345.402	4.825	10	1	EJCF	
Oc1c([C@H](Nc2cccnc2)c2ccccc2)ccc2cccnc12	1772579233	GRGLHILEWJUCDM-LJQANCHMSA-N	327.387	4.537	10	1	EJCF	
COc1ccc(-c2ccc3c(c2O)[C@@H](C)N[C@H](C)C3)c2cccc(O)c12	2356634827	ONUSTFMKUSUFST-CHWSQXEVSA-N	349.430	4.522	10	1	EJCF	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C)n(-c3ccccc3)c1C)O2	587389160	JJQUPUAZBYVDOD-NRFANRHFSA-N	346.430	4.691	10	1	EJCF	
C[C@@H]1CC(=O)c2c3c(n(Cc4ccccc4)c2C1)-c1ccccc1C3=O	6495296	WYINNZZVYRVTCS-AWEZNQCLSA-N	341.410	4.513	10	1	EJCF	
Cc1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(C)n1-c1ccccc1	1772586043	DJKXVZISGWNZQG-UHFFFAOYSA-N	348.490	4.793	10	1	EJCF	
O=S(=O)(Nc1ccc(/N=N\c2ccccc2)cc1)c1ccccc1	102693283	JGHSIHWEEQODNJ-VXPUYCOJSA-N	337.404	4.903	10	1	EJCF	
CNc1c(F)cccc1-c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1	587135618	KBSSXEDQOQFXDI-UHFFFAOYSA-N	348.381	4.785	10	1	EJCF	
CC(C)C[C@@H]1CC(c2ccc(O)c(O)c2)=Cc2cc(O)c(O)cc21	85569229	KPKXCNXOVWARGY-CQSZACIVSA-N	326.392	4.583	10	1	EJCF	biogenic,in-vitro
Fc1cnc2[nH]c([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)nc2c1	587078562	VTPZGJYSRGGWLV-OZVIIMIRSA-N	340.789	4.577	10	1	EJCF	
Nc1ccc(Oc2ccc3nc(-c4ccc(F)c(F)c4)[nH]c3c2)cc1	587145332	KXNBWJSVQVNIGH-UHFFFAOYSA-N	337.329	4.883	10	1	EJCF	
COc1ccc2c(c1)[C@@]1(CC=C(C)C)CCN(C)[C@@H]1N2CC=C(C)C	40379299	ONFAZZRKNWUZAY-FGZHOGPDSA-N	340.511	4.737	10	1	EJCF	
CCCCN(Cc1cccc(C)c1O)C(=S)Nc1ccccc1	45335477	MSQALUIPMRXAFL-UHFFFAOYSA-N	328.481	4.700	10	1	EJCF	
COc1ccc2c(c1)[C@H](c1c(O)cc(C)c(Cl)c1C)N[C@H]1CC[C@@H]21	962999354	XWOCLOKSQCFJOE-DKICVRJWSA-N	343.854	4.610	10	1	EJCF	
O=C1c2ccccc2C(=O)c2c(SC(Cl)=CCl)cccc21	2356320790	MLOALLBQWLSMMF-UHFFFAOYSA-N	335.211	4.831	10	1	EJCF	
C[N+](C)(C)Cc1cccc(/N=N/c2cccc(C[N+](C)(C)C)c2)c1	6068163	KCOSVQHBILQVFB-QURGRASLSA-N	326.488	4.514	10	3	EJCF	in-vitro
CC1=NN(c2ccccc2)C(=O)[C@H]1N=Nc1ccc2ccccc2c1	263592027	ZRCODUVJYPCUIW-IBGZPJMESA-N	328.375	4.715	10	3	EJCF	
CC(=O)Nc1cccc(Nc2c3ccccc3[n+](C)c3ccccc23)c1	26844034	UJNSTWRFAPLCKT-UHFFFAOYSA-O	342.422	4.520	10	1	EJCF	
CC(C)c1cc2c(c(O)c1O)C[C@@]13CCCC(C)(C)C1=C[C@@]2(C)O3	2356416553	XZMYHERPNCJEBG-RTWAWAEBSA-N	328.452	4.898	10	1	EJCF	
Cc1c(-c2ccc(-n3cccc3)cc2)[nH]c2cc(F)cc(F)c2c1=O	1772577042	LOWCAALAXPMUAN-UHFFFAOYSA-N	336.341	4.572	10	1	EJCF	
CCCc1cc(/N=N/c2cc(S(=O)(=O)O)c(C)cc2C)ccc1O	149589749	VSNMFXZUIYORJV-VHEBQXMUSA-N	348.424	4.624	10	1	EJCF	
Oc1c(Cl)cccc1[C@@H]1NCCc2cccc(-c3ccccc3)c21	962666826	SLGPWDOYKUMTCJ-FQEVSTJZSA-N	335.834	4.948	10	1	EJCF	
O=C(O)Cc1sc(/N=N/Cc2ccccc2)nc1-c1ccccc1	169692244	ALHSAFWVCNYFBA-XUTLUUPISA-N	337.404	4.721	10	1	EJCF	
C[C@H]1CCc2sc(C(=O)/N=N/c3c(O)[nH]c4ccccc34)cc2C1	101813009	IDTLLEGPJGIDAJ-KWDUWWDHSA-N	339.420	4.984	10	1	EJCF	
CN(C)c1ccc([C@@H]2CC(c3ccccn3)=NN2c2ccccc2)cc1	103202543	PPIRJARGIKDFBJ-QFIPXVFZSA-N	342.446	4.503	10	1	EJCF	
CC(=O)Nc1ccc2c(c1)c(Nc1ccccc1)c1ccccc1[n+]2C	55783077	QEPQTDTURFRBAX-UHFFFAOYSA-O	342.422	4.520	10	1	EJCF	
COc1ccc2c(c1)[C@H](c1c(O)cc(C)c(Cl)c1C)N[C@@H]1CC[C@@H]21	962999358	XWOCLOKSQCFJOE-YYFZDKIDSA-N	343.854	4.610	10	1	EJCF	
Cc1cc(/N=N\c2ccc(Cl)cc2)cc(CN2CCOCC2)c1O	102653414	NUQHIMKPLURKFY-MRCUWXFGSA-N	345.830	4.602	10	1	EJCF	
O=C(O)c1cccc2c(-c3ccncc3)c(-c3ccc(F)cc3)[nH]c12	587638157	MKWLTTCGWBSTAS-UHFFFAOYSA-N	332.334	4.734	10	1	EJCF	
COc1cccc2ccc(-c3ccc4c(c3O)[C@@H](C)N[C@H](C)C4)c(O)c12	2356439911	HYUDBOHUNQWCFT-CHWSQXEVSA-N	349.430	4.522	10	1	EJCF	
COc1cc(/C=C\c2cc(O)c(O)c(C(C)(C)C)c2)cc(OC)c1	98084312	KZMAGELAMICPQD-SREVYHEPSA-N	328.408	4.583	10	1	EJCF	
O=C(CNc1cccc2ccccc12)N=Nc1c(O)[nH]c2ccccc12	617960137	COSQDPUBMCWVRJ-UHFFFAOYSA-N	344.374	4.749	10	1	EJCF	
CCCCN1CCc2c(cc(O)c(O)c2Cl)[C@H](c2ccccc2)C1	27109964	PKHZFDMRXUUJJW-KRWDZBQOSA-N	345.870	4.541	10	1	EJCF	
Nc1ccc(Oc2ccc3nc([C@@H]4CCCC(=O)CC4)[nH]c3c2)cc1	586888065	WDUCXCQSEMECCA-CYBMUJFWSA-N	335.407	4.554	10	1	EJCF	
CC(C)C[C@H]1CC(c2ccc(O)c(O)c2)=Cc2cc(O)c(O)cc21	2356737348	KPKXCNXOVWARGY-AWEZNQCLSA-N	326.392	4.583	10	1	EJCF	
C[C@@H](NCCCc1ccccc1)c1cc2c(cc1O)OC(C)(C)C=C2	96932018	VWAJUOJAGBZODP-MRXNPFEDSA-N	337.463	4.860	10	1	EJCF	
CCc1c(C(=O)N[C@@H](C)c2ccccc2)cc(C)n1-c1ccccc1	1772580042	LIJXONKSNLKXIX-KRWDZBQOSA-N	332.447	4.839	10	1	EJCF	
CCc1ccc(O)c([C@]2(C)N[C@H](CC)Cc3c2[nH]c2ccccc32)c1	962940388	ANAHHLPZESFXAK-QRQCRPRQSA-N	334.463	4.624	10	1	EJCF	
Cc1cc(/N=N/[C@@H](C)c2ccccc2O)nc(-c2ccccc2O)n1	169689596	MFHDZZQMIKLPRY-URHHSZMMSA-N	334.379	4.708	10	1	EJCF	
Oc1cc(NCC2CCCCC2)c(O)cc1CNC1CCCCC1	1857643386	NHGFTIOGQWPPPG-UHFFFAOYSA-N	332.488	4.512	10	1	EJCF	
CC1=C(CC(=O)O)c2cc(F)ccc2/C1=C\c1ccc(N(C)C)cc1	38458947	FBWOSQAYAIWTAI-ZDLGFXPLSA-N	337.394	4.694	10	1	EJCF	
COc1ccc(C2=NC(=O)/C(=C/c3ccc4ccccc4c3)S2)cc1	84758130	FKRIMJVQTVUJFA-UYRXBGFRSA-N	345.423	4.910	10	1	EJCF	
COc1ccc2c(c1)[C@]1(CC=C(C)C)CCN(C)[C@@H]1N2CC=C(C)C	40379298	ONFAZZRKNWUZAY-YADHBBJMSA-N	340.511	4.737	10	1	EJCF	
COc1ccc2c(c1)[C@H](c1c(O)cc(C)c(Cl)c1C)N[C@H]1CC[C@H]21	962999355	XWOCLOKSQCFJOE-PTSWNOGYSA-N	343.854	4.610	10	1	EJCF	
CCOc1ccc(O)c([C@H]2NCCc3cccc(-c4ccccc4)c32)c1	962669187	PHYKJXCCSXYNER-HSZRJFAPSA-N	345.442	4.693	10	1	EJCF	
CCCCN(Cc1cccc(Cl)c1O)C(=O)Nc1ccccc1	45338539	UGSKHSZUOFAHGH-UHFFFAOYSA-N	332.831	4.880	10	1	EJCF	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-n3c(C)ccc3C)cc1)O2	587389330	HKRPICYAUHJHRZ-NRFANRHFSA-N	346.430	4.691	10	1	EJCF	
O=[N+]([O-])c1c(Cl)cc(O)c2c1[C@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2	36028889	IVWNHJKZDBXOMY-MKBNYLNASA-N	342.782	4.780	10	1	EJCF	
CN(C)c1ccc(/C=C/c2sc3ccc(Cl)cc3[n+]2C)cc1	73198958	CXPCPMDPSKIGQY-UHFFFAOYSA-N	329.876	4.616	10	1	EJCF	
Oc1ccc(CCCNc2c3ccccc3nc3ccccc23)cc1O	169303925	SYDKZKFYCVCESX-UHFFFAOYSA-N	344.414	4.844	10	1	EJCF	
C[C@H](/N=N/c1ccc(Cl)c(C(=O)O)c1)c1cccc([N+](=O)[O-])c1	169686880	DXQYJIUNFUNSTK-AVCRYHLVSA-N	333.731	4.791	10	1	EJCF	
COc1cccc(C/N=N/c2cc(C)nc3cc4c(cc23)OCO4)c1	169693548	PXKBFIHMHPIJQQ-LSDHQDQOSA-N	335.363	4.564	10	1	EJCF	
COc1cccc2ccc(-c3ccc4c(c3O)[C@@H](C)N[C@@H](C)C4)c(O)c12	2356439913	HYUDBOHUNQWCFT-QWHCGFSZSA-N	349.430	4.522	10	1	EJCF	
Oc1ccccc1CNc1ncccc1-c1ccnc2ccccc12	621430399	UIQOIXGFNAUWGP-UHFFFAOYSA-N	327.387	4.615	10	1	EJCF	
CC1=C(C)[C@@H]2CC(=O)c3c(O)c(C(C)C)c(O)c(O)c3[C@@]2(C)CC1	13301395	OJKNMVFTHZUMCZ-YUNKPMOVSA-N	330.424	4.517	10	1	EJCF	biogenic
Oc1ccccc1[C@H]1NC(=S)Nc2c1sc1ccc(Cl)cc21	1857548518	HFNALEFTCWISIN-CYBMUJFWSA-N	346.864	4.650	10	1	EJCF	
CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](C)(c2cccc(Cl)c2O)N1	962946714	AHLBTFHACUFZFA-FKIZINRSSA-N	340.854	4.715	10	1	EJCF	
Nc1ccc(Nc2c3ccccc3nc3cc([N+](=O)[O-])ccc23)cc1	26846493	FORADGXBIDBUJT-UHFFFAOYSA-N	330.347	4.622	10	1	EJCF	
CCCN1[C@H](c2c(O)cc(OC)cc2Cl)c2ccccc2C[C@H]1C	963235023	FGGAFOGTNKYXKU-XCLFUZPHSA-N	345.870	4.800	10	1	EJCF	
CCCC1(c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)CCC1	586877569	DXKWHOGDXNPXFA-UHFFFAOYSA-N	344.414	4.560	10	1	EJCF	
CNC(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc23)cc1	5140927	VZCFVDFGLKRPNA-UHFFFAOYSA-N	342.402	4.883	10	1	EJCF	
COc1ccc(CCN2CCn3c4c(c5ccccc53)CCC[C@H]42)cc1	1857760329	GJXIHLFYUCOKRX-JOCHJYFZSA-N	346.474	4.586	10	1	EJCF	
COc1cccc(N[C@@H](c2cccc(C)c2O)[C@@H]2CCCCC2=O)c1	66251524	YRAMYGHNHGGDSB-YLJYHZDGSA-N	339.435	4.622	10	1	EJCF	
CN(C)c1ccc(/C=C2\CCN3Cc4ccccc4N=C23)c(Cl)c1	101030339	FWMALHBOBWIGQN-RVDMUPIBSA-N	337.854	4.739	10	1	EJCF	
O=C(NC/C(Cl)=C/Cl)Nc1c2ccccc2nc2ccccc12	5594122	ZVPMTYJNZLZWHT-LUAWRHEFSA-N	346.217	4.829	10	1	EJCF	
COc1ccc(-c2ccc(OCc3cc(C(=O)O)oc3C)cc2)cc1	38821840	BRDLIFYQXFHZGL-UHFFFAOYSA-N	338.359	4.541	10	1	EJCF	
O=C1c2ccccc2-c2cc(-c3cccc(O)c3O)nc3cccc1c23	587206527	LFRDLJMSUSHBIZ-UHFFFAOYSA-N	339.350	4.524	10	1	EJCF	
O=c1c2ccccc2nc(/C=C/c2cccnc2)n1CC1CCCCC1	1772635217	XUFANRSCLZKORJ-OUKQBFOZSA-N	345.446	4.542	10	1	EJCF	
Oc1ccc(/C=C/c2ccc3c(Cl)cc(Cl)c(O)c3n2)cc1O	5932947	GKVMHOHBRUCKOQ-HNQUOIGGSA-N	348.185	4.829	10	1	EJCF	
Cc1cccc2c(NC(=S)NCc3ccco3)c3ccccc3nc12	45245413	ZFKJDIZGVUYLTH-UHFFFAOYSA-N	347.443	4.776	10	1	EJCF	
CC[C@@H]1OCCC[C@H]1c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1	586912716	OTKYCOPMYCOHLO-APWZRJJASA-N	337.423	4.610	10	1	EJCF	
COc1ccc(CCN2CCn3c4c(c5ccccc53)CCC[C@@H]42)cc1	1857760330	GJXIHLFYUCOKRX-QFIPXVFZSA-N	346.474	4.586	10	1	EJCF	
CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](C)(c2cccc(Cl)c2O)N1	962946717	AHLBTFHACUFZFA-ODXCJYRJSA-N	340.854	4.715	10	1	EJCF	
CC(=O)Nc1sc(/N=N/Cc2ccco2)nc1-c1cccs1	169688554	WAPGWEVZEOWCHN-OBGWFSINSA-N	332.410	4.707	10	1	EJCF	
COc1ccc(Nc2ccc(Oc3ccccc3)cc2)c(C(=O)O)c1	58638907	YJRDHMUPONVWTE-UHFFFAOYSA-N	335.359	4.929	10	1	EJCF	in-vitro
C/C(=C\c1ccc2c(c1)OCO2)C1Nc2cccc3cccc(c23)N1	36380478	WSYIBONNGXXSLW-JLHYYAGUSA-N	330.387	4.836	10	3	EJCF	
CN(C)c1ccc(N=Nc2ccc(-c3nc4ncncc4[nH]3)cc2)cc1	587195367	ILKNEIZOCMECFC-UHFFFAOYSA-N	343.394	4.501	10	1	EJCF	
Cc1cc(-c2csc([C@H]3CCOC3)n2)c(C)n1-c1ccccc1F	587922795	WIWIUFIWCGQOGM-AWEZNQCLSA-N	342.439	4.861	10	1	EJCF	
CC(C)c1cc2c(c(O)c1O)C[C@@]13CCCC(C)(C)C1=C[C@]2(C)O3	238769126	XZMYHERPNCJEBG-SFTDATJTSA-N	328.452	4.898	10	1	EJCF	
Cc1ccc(NCc2oc3c(c2C)C(=O)C(=O)c2ccccc2-3)cc1	169353729	DOATYJCCGMWGDT-UHFFFAOYSA-N	331.371	4.555	10	1	EJCF	
O=C(/N=N/c1c(O)[nH]c2ccccc12)c1cc2ccccc2cc1O	103974350	PDPLNDWWYQOFIK-QURGRASLSA-N	331.331	4.656	10	1	EJCF	
O=C(Cc1cccc2ccccc12)N=Nc1c(O)[nH]c2ccccc12	617960170	XNCLNNXAMOYDGX-UHFFFAOYSA-N	329.359	4.880	10	1	EJCF	
CC1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)Oc3cc(O)c(O)cc3C(=O)[C@H]21	14683858	UVKYMKMZOUXEAN-AGKXRFJRSA-N	344.451	4.674	10	3	EJCF	
CN(C)/N=N/c1ccc2ncnc(Nc3cccc(Cl)c3)c2c1	13527482	YTSMRZMCUJMHHR-QURGRASLSA-N	326.791	4.587	10	1	EJCF	
C[C@H](NCCCc1ccccc1)c1cc2c(cc1O)OC(C)(C)C=C2	96932016	VWAJUOJAGBZODP-INIZCTEOSA-N	337.463	4.860	10	1	EJCF	
Oc1cc(CCCc2ccc(F)cc2)ccc1CN1CCCCC1	473108008	KXUGFLDZRCOAAD-UHFFFAOYSA-N	327.443	4.693	10	1	EJCF	
CCCCN1CCc2c(cc(O)c(O)c2Cl)[C@@H](c2ccccc2)C1	27109962	PKHZFDMRXUUJJW-QGZVFWFLSA-N	345.870	4.541	10	1	EJCF	
CCCOC(=O)c1c(O)csc1Nc1ccc2ccccc2c1	169730414	ICDMORUATMQTNH-UHFFFAOYSA-N	327.405	4.917	10	1	EJCF	
Oc1ccc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c2c1	587078312	NVXMXHNZEBHVQY-JCGVRSQUSA-N	337.810	4.748	10	1	EJCF	
CCCNCc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O	103203201	TVHALYXSTJHOBZ-UHFFFAOYSA-N	341.842	4.837	10	1	EJCF	
Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccccc3[nH]1)[C@@H]1CC=C[C@@H]21	587276642	NLFMAEDWPFFFPW-LPMFXHHGSA-N	346.390	4.606	10	1	EJCF	
COc1ccc(-c2ccc3c(c2O)[C@H](C)N[C@@H](C)C3)c2cccc(O)c12	2356634832	ONUSTFMKUSUFST-STQMWFEESA-N	349.430	4.522	10	1	EJCF	
Cc1cc(Cl)cc2c(/N=N\c3ccccc3C(=O)O)c(O)[nH]c12	102377864	FLWAVNJZQRGLOG-VXPUYCOJSA-N	329.743	4.949	10	1	EJCF	
O=C(/N=N/c1c(O)[nH]c2ccc(F)cc12)c1cc2ccccc2cc1O	103966617	WYTLSAJAXISPEI-GHVJWSGMSA-N	349.321	4.796	10	1	EJCF	
Oc1ccc(Cl)cc1C1=NN(c2ccccn2)[C@H](c2ccccc2)C1	1911576214	BZSODIWLTBNDQE-SFHVURJKSA-N	349.821	4.796	10	1	EJCF	
CCC(=O)N[C@H](c1cccs1)c1cc(Cl)c2ccccc2c1O	36380902	NKXLLPDAZXCERI-KRWDZBQOSA-N	345.851	4.876	10	3	EJCF	
COc1c(-c2ccccc2)cc(OC)c2c1oc1cc(O)c(O)cc12	82150271	LNKQUTQFZVRDLZ-UHFFFAOYSA-N	336.343	4.681	10	1	EJCF	
CC1(C)CCC[C@]2(C)[C@@H]3C(=O)c4cc(O)c(O)cc4O[C@]3(C)CC[C@H]12	205206123	UVKYMKMZOUXEAN-GKBFQHABSA-N	344.451	4.674	10	3	EJCF	
Oc1c([C@@H](Nc2cccnc2)c2ccccc2)ccc2cccnc12	1772579232	GRGLHILEWJUCDM-IBGZPJMESA-N	327.387	4.537	10	1	EJCF	
COc1ccc2c(c1)[C@H](c1c(O)cc(C)c(Cl)c1C)N[C@@H]1CC[C@H]21	962999350	XWOCLOKSQCFJOE-AKCHCHLHSA-N	343.854	4.610	10	1	EJCF	
[N-]=[N+]=NCCCCCCc1nc2ccc(F)c(Br)c2[nH]1	587260261	OYFZGLGFDAFESE-UHFFFAOYSA-N	340.200	4.878	10	1	EJCF	
Oc1cc(O)cc(/C=C/c2ccc(NCc3ccccc3O)cc2)c1	96926960	IOKRQARQNXPXLW-AATRIKPKSA-N	333.387	4.586	10	1	EJCF	
CC1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)Oc3cc(O)c(O)cc3C(=O)[C@@H]21	205206106	UVKYMKMZOUXEAN-BVPXEZJJSA-N	344.451	4.674	10	3	EJCF	
CC(/C=C/C=C(\C)c1ccc2c(c1)CCCN2C(C)C)=C\C(=O)O	13780871	DWQUMLRPAPSXIM-OTLMWCFISA-N	325.452	4.838	10	1	EJCF	
Oc1ccc(Cl)cc1C1=NN(c2ccccn2)[C@@H](c2ccccc2)C1	1911576213	BZSODIWLTBNDQE-GOSISDBHSA-N	349.821	4.796	10	1	EJCF	
CC(C)CCn1c(O)c(/N=N\C(=O)c2ccco2)c2ccccc21	18227711	BWQOHGWHQAHWNS-VXPUYCOJSA-N	325.368	4.910	10	1	EJCF	
COC(=O)c1cc(-n2c(-c3ccccc3)cc3c2CCCC3)ccc1O	39194355	LDAFHPHKHYQCIE-UHFFFAOYSA-N	347.414	4.515	10	1	EJCF	
Clc1ccsc1C1=NN[C@@H](c2ccc(N3CCCCC3)cc2)C1	103221541	IFJMCLFXJCIPHS-MRXNPFEDSA-N	345.899	4.831	10	1	EJCF	
Cc1ccc(Nc2c3ccccc3nc3c(C(N)=O)cccc23)cc1	26935744	LHYFOTLVYDBZCK-UHFFFAOYSA-N	327.387	4.539	10	1	EJCF	
CN1CCc2cc(-c3ccccc3)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3	40863607	NJWHLJABYCIZPL-LJQANCHMSA-N	343.426	4.517	10	1	EJCF	in-vivo
C[C@H]1CCc2sc(C(=O)N=Nc3c(O)[nH]c4ccccc34)cc2C1	253966678	IDTLLEGPJGIDAJ-JTQLQIEISA-N	339.420	4.984	10	1	EJCF	
CC(C)(C)[C@H]1CCC(=O)N([C@H](CN=[N+]=[N-])Cc2ccccc2)CC1	15935345	DJCBRYTTZUVKDB-IRXDYDNUSA-N	328.460	4.583	10	3	EJCF	
CCn1c2ccccc2c2ccc3c(c21)C(=O)c1ccccc1C3=O	5549480	RFSMYRUHCLFIOJ-UHFFFAOYSA-N	325.367	4.590	10	1	EJCF	
Cc1ccc2nc(-c3cc(Cl)ccn3)c(NCc3ccccc3)n2c1	1772587432	DRGXEEMDRKCUFQ-UHFFFAOYSA-N	348.837	4.970	10	1	EJCF	
COc1cccc(Cc2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)c1	587932003	SUQVDMMIKAFGIF-UHFFFAOYSA-N	345.402	4.537	10	1	EJCF	
COc1ccc2nc(C)cc(/N=N/Cc3cccc(OC)c3O)c2c1	169688732	OLTNVSAHVPACOL-LSDHQDQOSA-N	337.379	4.550	10	1	EJCF	
CCN1C=Cc2ccccc2C1=Cc1ccc2ccccc2[n+]1CC	5185680	DBDRHBSHLOXNIM-UHFFFAOYSA-N	327.451	4.952	10	1	EJCF	
Cc1cc(-c2csc([C@@H]3CCOC3)n2)c(C)n1-c1ccccc1F	587922796	WIWIUFIWCGQOGM-CQSZACIVSA-N	342.439	4.861	10	1	EJCF	
CC[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cc(F)c(Cl)cc2O)N1	962958464	UKKATGUDEWLDMM-APBUJDDRSA-N	344.817	4.680	10	1	EJCF	
CC(C)(C)c1cc(-c2[nH][nH]c(=N)c2/N=N/c2cccc(Cl)c2)no1	473121691	QPRYHWMWMOIDQO-XUTLUUPISA-N	344.806	4.844	10	1	EJCF	
CCCCCN(CCCCC)Cc1c(O)ccc2ccc(=O)oc12	13674213	FGWPEKZHVQVBMI-UHFFFAOYSA-N	331.456	4.681	10	1	EJCF	
COc1cc(/C=C/c2cc(O)c(O)c(C(C)(C)C)c2)cc(OC)c1	98084311	KZMAGELAMICPQD-VOTSOKGWSA-N	328.408	4.583	10	1	EJCF	
Clc1ccc(C2=NN[C@H](c3ccc(N4CCCCC4)cc3)C2)s1	103221544	OTMXWEBSYOQBTM-HNNXBMFYSA-N	345.899	4.831	10	1	EJCF	
CCCc1ccc2c(c1)C(=O)c1cc3cccc(OC)c3cc1C2=O	84635177	XBHNJMNWFZKVNS-UHFFFAOYSA-N	330.383	4.576	10	1	EJCF	
CN(C)c1ccc([C@H]2Nc3ccccc3N=C3CCCC(O)=C32)cc1	104004942	BEOKTEIPBFIYQO-OAQYLSRUSA-N	333.435	4.988	10	1	EJCF	
Oc1[nH]c2ccccc2c1N=Nc1ncnc2c1oc1ccccc12	254036107	YWWKVXLUTGCJAZ-UHFFFAOYSA-N	329.319	4.978	10	1	EJCF	
Oc1[nH]c2ccccc2c1N=Nc1c(F)c(F)c(F)c(F)c1F	254042212	CVPMFEJGUOBQAT-UHFFFAOYSA-N	327.212	4.984	10	1	EJCF	
CC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc([N+](=O)[O-])c1)N2	1206803	XGFMWJAYWCXIGY-SQGPQFPESA-N	334.375	4.624	10	1	EJCF	
O=C(O)c1cccc2c1N[C@@H](c1ccc(Cl)cc1)[C@@H]1CC=C[C@@H]21	169300653	DEPBWVRTJQCADN-CPUCHLNUSA-N	325.795	4.865	10	1	EJCF	
CN1C=CC(=Cc2sc3ccccc3[n+]2C)c2ccc(Cl)cc21	1857609344	ZMCKDOMPLXDCIO-UHFFFAOYSA-N	339.871	4.883	10	1	EJCF	
Cc1[nH]c2ccccc2c1/N=N\c1c(C)n(C)n(-c2ccccc2)c1=O	6796209	MHIANZCPSGPKQH-FCQUAONHSA-N	345.406	4.690	10	1	EJCF	
CC(C)c1c(O)c(O)c2c(c1O)C(=O)C[C@H]1C(C)(C)CCC[C@]21C	14774456	DECBSGPKFYQQFD-YUNKPMOVSA-N	332.440	4.597	10	1	EJCF	biogenic,in-vitro
Cc1ccc(C(C)C)n1-c1cc2cnccc2c(Br)n1	587940615	JGLBYADVOMGTTQ-UHFFFAOYSA-N	330.229	4.615	10	1	EJCF	
[N-]=[N+]=NCCCCCCc1nc2ccc(OC(F)(F)F)cc2[nH]1	587259717	HSQWIYZDWBEHTK-UHFFFAOYSA-N	327.310	4.875	10	1	EJCF	
Clc1ccccc1N1CCN(/C=C/N=N/c2ccccc2)CC1	40845172	MBOGVAUPMRJKCV-CMSHASNNSA-N	326.831	4.717	10	1	EJCF	
Cc1ccc2c(c1)N(C)/C(=C/C=C/c1oc3ccc(C)cc3[n+]1C)S2	169323892	ZLMFMRWAUUJLOT-UHFFFAOYSA-N	349.479	4.971	10	1	EJCF	
Cc1cc(CNOCc2ccccc2)c(C)n1-c1ccc(Cl)cc1	653854470	NNZLSJIKONHIRD-UHFFFAOYSA-N	340.854	4.969	10	1	EJCF	
CCSC1=C(/C=C/C(=O)O)CCc2c1cc(C)n2-c1ccccc1	28523540	NJSIGFQAZUETKH-ZRDIBKRKSA-N	339.460	4.837	10	1	EJCF	
CN(C)CC/C=C1\c2ccccc2Sc2c(O)cc(Cl)cc21	33291191	LSDJYKNINCJROA-NTUHNPAUSA-N	331.868	4.894	10	1	EJCF	
Nc1ccc(Oc2ccc3[nH]c(-c4ccc(CN=O)cc4)nc3c2)cc1	587191333	YMAYYLBKXJXAGH-UHFFFAOYSA-N	344.374	4.871	10	1	EJCF	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C)n(-c3ccccc3)c1C)O2	587389162	JJQUPUAZBYVDOD-OAQYLSRUSA-N	346.430	4.691	10	1	EJCF	
CC1=NN(c2c3ccccc3nc3c(Cl)cc(Cl)cc23)C(=O)C1	49055349	OCXZFOVRPZYIIS-UHFFFAOYSA-N	344.201	4.807	10	1	EJCF	
CCC(=O)N[C@@H](c1cccs1)c1cc(Cl)c2ccccc2c1O	36388617	NKXLLPDAZXCERI-QGZVFWFLSA-N	345.851	4.876	10	3	EJCF	
O=C(O)COc1ccc(Nc2c3ccccc3nc3ccccc23)cc1	26848094	LOQRRKOWZQQCAP-UHFFFAOYSA-N	344.370	4.595	10	1	EJCF	
COc1ccc(N(Cc2ccccc2)Cc2ccc(OC)c(O)c2)cc1	103284398	AFWPEKPDXUGMNB-UHFFFAOYSA-N	349.430	4.616	10	1	EJCF	
CC(C)CCn1c(O)c(N=NC(=O)c2ccco2)c2ccccc21	253966562	BWQOHGWHQAHWNS-UHFFFAOYSA-N	325.368	4.910	10	1	EJCF	
COC(=O)CCCc1nc2ccccc2nc1/N=N/c1ccccc1	6004255	NHCOFAMCMOWFPF-GHVJWSGMSA-N	334.379	4.541	10	1	EJCF	
CC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1cccc([N+](=O)[O-])c1)N2	12380179	XGFMWJAYWCXIGY-ABSDTBQOSA-N	334.375	4.624	10	1	EJCF	
O=C(O)Cc1ccccc1Nc1c2ccccc2nc2ccccc12	26939239	MZHUAVUNABIQDY-UHFFFAOYSA-N	328.371	4.759	10	1	EJCF	
O=C(CCc1c[nH]c2ccccc12)/N=N\c1c(O)[nH]c2ccccc12	102715130	AZZOYNSJVLQNKP-FCQUAONHSA-N	332.363	4.598	10	1	EJCF	
CC[C@H]1OCCC[C@@H]1c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1	586912719	OTKYCOPMYCOHLO-QFBILLFUSA-N	337.423	4.610	10	1	EJCF	
COc1ccc(-c2ccc(O)c3c2C[C@@H](C)N[C@H]3C)c2cccc(O)c12	2356459503	OOSPLYIJBZLXJU-OLZOCXBDSA-N	349.430	4.522	10	1	EJCF	
COc1ccc(/C=C2\C=C(c3ccc4ccccc4c3)OC2=O)cc1	1857552744	RMWVVRVPECFBGX-XDHOZWIPSA-N	328.367	4.830	10	1	EJCF	
CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(C)Oc3cc(O)c(O)cc3C(=O)[C@@H]12	5963603	UVKYMKMZOUXEAN-OFCAXSSNSA-N	344.451	4.674	10	1	EJCF	
CC(C)NCc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1O	27554609	NFKBFFDAAVOPDD-UHFFFAOYSA-N	341.842	4.835	10	1	EJCF	
COc1cc(C(=O)O)ccc1Nc1c2ccccc2nc2ccccc12	26847057	BCWCCLBORNOQJZ-UHFFFAOYSA-N	344.370	4.838	10	1	EJCF	
O=[N+]([O-])c1c(Cl)cc(O)c2c1[C@H]1C=CC[C@H]1[C@H](c1ccccc1)N2	36028887	IVWNHJKZDBXOMY-OZVIIMIRSA-N	342.782	4.780	10	1	EJCF	
CN(C)c1ccc(/C=C2\C(=O)N(c3ccccc3)c3ccccc32)cc1	222415690	CFOUMNUIGRPBNF-PGMHBOJBSA-N	340.426	4.972	10	1	EJCF	
O=C(O)c1cc(-n2c(-c3ccccc3)cc3c2CCCCC3)ccc1O	39194384	ZQTLDQXJQYTZSQ-UHFFFAOYSA-N	347.414	4.817	10	1	EJCF	
C[C@@H]1CCc2sc(C(=O)/N=N/c3c(O)[nH]c4ccccc34)cc2C1	101813001	IDTLLEGPJGIDAJ-OLOQPLSPSA-N	339.420	4.984	10	1	EJCF	
CN1C=CC(=Cc2sc3ccccc3[n+]2C)c2c(Cl)cccc21	1857571956	FOKQRDWDGLIVBB-UHFFFAOYSA-N	339.871	4.883	10	1	EJCF	
Cc1cc(-c2nnc3n2CCCCCCC3)c(C)n1-c1ccccc1	103225994	QIXVBFXXNVSMEI-UHFFFAOYSA-N	334.467	4.859	10	1	EJCF	
CC1=C(C)[C@H]2CC(=O)c3c(O)c(C(C)C)c(O)c(O)c3[C@@]2(C)CC1	13301399	OJKNMVFTHZUMCZ-ODXCJYRJSA-N	330.424	4.517	10	1	EJCF	biogenic
CSCC(C)(C)c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1	586968256	ADNSEYOAVFKKPZ-UHFFFAOYSA-N	327.453	4.578	10	1	EJCF	
CC(C)CC1=NN(c2ccc(F)cc2)C(=O)[C@H]1Sc1ccccc1	45284328	VAOYFDLMCMEBPP-SFHVURJKSA-N	342.439	4.735	10	1	EJCF	
CC[C@]1(c2cc(Cl)c(C)cc2O)NCCc2c1sc(C)c2C	963019639	HZPKUUYVVDJKTL-GOSISDBHSA-N	335.900	4.832	10	1	EJCF	
CC(=O)N[C@H](c1ccccc1)c1c(O)ccc2oc3ccccc3c12	72170922	VDEGJEFQCGVAIH-OAQYLSRUSA-N	331.371	4.517	10	1	EJCF	
CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(C)Oc3cc(O)c(O)cc3[C@@H](O)[C@@H]12	299864252	QZRKEBRHGKYJHJ-SOMHSPELSA-N	346.467	4.525	10	1	EJCF	
CC(=O)c1ccc(Nc2c3ccccc3nc3cc(N)ccc23)cc1	26841618	RLFRUQNTXPKRHD-UHFFFAOYSA-N	327.387	4.916	10	1	EJCF	
Oc1ccccc1N=c1c2ccccc2[nH]c2c1[nH]c1ccccc12	473153075	YGBOGOCCPMOOER-UHFFFAOYSA-N	325.371	4.740	10	1	EJCF	
COc1ccc(-c2[nH]c3c(C(=O)O)cccc3c2-c2cccnc2)cc1	587638971	LNWKXUIFWALCIH-UHFFFAOYSA-N	344.370	4.604	10	1	EJCF	
CCOC(=O)c1cc(C)n(-c2cccc(-c3cccc(OC)c3)c2)c1C	587926134	LJDAEWGFWQFLRN-UHFFFAOYSA-N	349.430	4.946	10	1	EJCF	
CNc1ccc2c(Nc3ccc(C(=O)O)cc3)c3ccccc3nc2c1	28003747	FVDLNLSVOQTJEH-UHFFFAOYSA-N	343.386	4.872	10	1	EJCF	
O=C(CCc1c[nH]c2ccccc12)/N=N/c1c(O)[nH]c2ccccc12	13122495	AZZOYNSJVLQNKP-GHVJWSGMSA-N	332.363	4.598	10	1	EJCF	
Cc1cccc2c1/C(=C/c1ccc(N(C)C)c3ccccc13)C(=O)N2	45357919	ZGNHCIFASHEGAU-AQTBWJFISA-N	328.415	4.707	10	1	EJCF	
O=C(C(=O)c1cn(Cc2ccccc2)c2ccccc12)c1ccccc1	96934961	NBDZJHFQOKDBRI-UHFFFAOYSA-N	339.394	4.755	10	1	EJCF	
CC(C)c1c(O)c(O)c2c(c1O)C(=O)C[C@@H]1C(C)(C)CCC[C@@]21C	14774459	DECBSGPKFYQQFD-MPBGBICISA-N	332.440	4.597	10	1	EJCF	biogenic
COc1ccc2nc(C)cc(/N=N/Cc3ccc([N+](=O)[O-])cc3)c2c1	169727996	JYJRETJQGJKBSN-XUTLUUPISA-N	336.351	4.744	10	1	EJCF	
Cc1cc(Cl)cc2c(N=Nc3ccccc3C(=O)O)c(O)[nH]c12	253915595	FLWAVNJZQRGLOG-UHFFFAOYSA-N	329.743	4.949	10	1	EJCF	
COc1ccc(/C=C/C=C2\SC(c3ccc(C)cc3)=NC2=O)cc1	299836791	NVNYEYCADLDCCB-ONCSWLTESA-N	335.428	4.621	10	1	EJCF	
CC1=C(Cc2cccc(O)c2O)[C@@]2(C)CC[C@H](O)C(C)(C)[C@H]2CC1	26168686	NOJVVZWPWGZSPV-LVCYWYKZSA-N	330.468	4.554	10	1	EJCF	
O=C(C(=O)c1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1	28713892	XWTNELOXRFBDSX-UHFFFAOYSA-N	346.226	4.790	10	1	EJCF	
COc1ccc(-c2ccc(O)c3c2C[C@H](C)N[C@@H]3C)c2cccc(O)c12	2356459504	OOSPLYIJBZLXJU-QWHCGFSZSA-N	349.430	4.522	10	1	EJCF	
Fc1ccc(-c2csc(/N=N/Cc3ccc4c(c3)OCO4)n2)cc1	169728160	WETCTDIXIKPWKC-XUTLUUPISA-N	341.367	4.962	10	1	EJCF	
COc1ccc(O)c(-c2nc3ccccc3nc2-c2ccccc2)c1	174318	LZXYUKONIKZGGM-UHFFFAOYSA-N	328.371	4.678	10	1	EJCF	
COc1cc(C2=NN(c3ccccc3)[C@H](c3ccccc3)C2)ccc1O	653740496	XFJDXQUNBLNXMY-FQEVSTJZSA-N	344.414	4.757	10	1	EJCF	
CCCC[C@H]1CN(c2ccc(OC)c(-c3ccccc3)c2)CC[C@H]1N	28821807	AVKIJLCUJVRYSR-GHTZIAJQSA-N	338.495	4.706	10	1	EJCF	
CCOC(=O)c1[nH]nc(-c2ccc(F)cc2)c1/N=N/c1ccccc1	103216144	WSGMGXOIKRNIDK-LSDHQDQOSA-N	338.342	4.808	10	1	EJCF	
Cc1ccc2nc(-c3cccc(Cl)n3)c(NCc3ccccc3)n2c1	1772572257	RYZJMOBEJADILI-UHFFFAOYSA-N	348.837	4.970	10	1	EJCF	
CC(C)(C)/C(O)=C/c1nc2cccnc2nc1/C=C(\O)C(C)(C)C	104697031	QIRKZAPQQPECGQ-XCMCHEKJSA-N	327.428	4.915	10	1	EJCF	
CN(C)c1ccc([C@H]2CC(c3ccncc3)=NN2c2ccccc2)cc1	103221768	DPEVQSMNWZOTQE-JOCHJYFZSA-N	342.446	4.503	10	1	EJCF	
CCCCOc1ccc(-c2cc3c(nn2)-c2ccccc2C3=O)cc1	27301775	NRTKZRSMJTZBHD-UHFFFAOYSA-N	330.387	4.534	10	1	EJCF	
Fc1nc(F)c(F)c(/N=N/Cc2ccc(Br)cc2)c1F	169690375	QMNLVNHWSKQMMM-CZIZESTLSA-N	348.097	4.684	10	1	EJCF	
COC(=O)CCSC(=O)Nc1ccc(/N=N/c2ccccc2)cc1	17886778	IFEGTAVIIAKMLG-FMQUCBEESA-N	343.408	4.930	10	1	EJCF	
COc1ccc(-c2ccc(O)c3c2C[C@@H](C)N[C@@H]3C)c2cccc(O)c12	2356459502	OOSPLYIJBZLXJU-CHWSQXEVSA-N	349.430	4.522	10	1	EJCF	
COc1ccc([C@H](C)/N=N/c2nc3ccccc3nc2C)cc1OC	169688903	VYUKGQCSVWZNAT-FYKQZTOXSA-N	336.395	4.800	10	1	EJCF	
Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccccc3[nH]1)[C@H]1CC=C[C@H]21	587276643	NLFMAEDWPFFFPW-NJSLBKSFSA-N	346.390	4.606	10	1	EJCF	
CN1CCc2cc(O)c(O)cc2[C@@H]1Cc1ccc(-c2ccccc2)cc1	35050008	VMXLXIXJLUZNKL-NRFANRHFSA-N	345.442	4.537	10	1	EJCF	
Cc1[nH]c2ccccc2c1C(=O)C(=O)c1coc2ccc(Cl)cc12	587275950	IHEADONJCVVQKU-UHFFFAOYSA-N	337.762	4.942	10	1	EJCF	
[N-]=[N+]=NCCCCCCc1nc2cccc(OC(F)(F)F)c2[nH]1	587260085	NKEZFSWYSPWRAU-UHFFFAOYSA-N	327.310	4.875	10	1	EJCF	
CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](C)(c2cccc(Cl)c2O)N1	962946715	AHLBTFHACUFZFA-MPBGBICISA-N	340.854	4.715	10	1	EJCF	
O=C(Nc1ccccc1)c1ccc(/C=C/c2ccc(O)c(O)c2)cc1	28823002	XERXLKRDDAYAGG-VOTSOKGWSA-N	331.371	4.521	10	1	EJCF	
C[C@@H](/N=N/c1ccc(Cl)c(C(=O)O)c1)c1cccc([N+](=O)[O-])c1	169686879	DXQYJIUNFUNSTK-KWMNCDDFSA-N	333.731	4.791	10	1	EJCF	
O=C(Cc1cccc2ccccc12)/N=N/c1c(O)[nH]c2ccccc12	100703145	XNCLNNXAMOYDGX-GHVJWSGMSA-N	329.359	4.880	10	1	EJCF	
NC(=O)CCc1ccc(Nc2c3ccccc3nc3ccccc23)cc1	5162767	YDAXTCGACADAPH-UHFFFAOYSA-N	341.414	4.550	10	1	EJCF	
COc1c(C)c2c(c3ccc4cc(O)c(O)cc4c13)C=CC(C)(C)O2	14822656	STWIWFKLJRTTSX-UHFFFAOYSA-N	336.387	4.905	10	1	EJCF	biogenic
Cc1cnc2[nH]c([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)nc2c1	587080441	MYORVNPVRXNIMR-AHIWAGSCSA-N	336.826	4.746	10	1	EJCF	
O=C1c2ccccc2-c2cc(-c3ccc(O)c(O)c3)nc3cccc1c23	587207611	STSDLKQWPLBAES-UHFFFAOYSA-N	339.350	4.524	10	1	EJCF	
CCCc1c(O)ccc2c1O[C@@H](c1c(C)n(C)c3ccccc13)CC2=O	587471483	RMBOTWAIXKXHLM-HXUWFJFHSA-N	349.430	4.851	10	1	EJCF	
COc1cc2c(/C=C3/C(=O)Nc4ccccc43)c(Cl)[nH]c2cc1C	9251	HLQZLTFBZSHQAM-RIYZIHGNSA-N	338.794	4.631	10	1	EJCF	
O=C(N=Nc1c(O)[nH]c2ccc(F)cc12)c1cc2ccccc2cc1O	617960120	WYTLSAJAXISPEI-UHFFFAOYSA-N	349.321	4.796	10	1	EJCF	
CC1(C)COC(c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)OC1	14232	GYFQLJRMPAKHQL-UHFFFAOYSA-N	334.419	4.815	10	1	EJCF	
Cc1cc(C2=NN[C@@H](c3ccc(N4CCCCC4)cc3)C2)c(C)s1	103223403	DBYMXPIIDJSMRI-LJQANCHMSA-N	339.508	4.794	10	1	EJCF	
Cc1nn(-c2ccccc2)c(C)c1C/N=N/c1nc2ccccc2[nH]1	169689456	MYAHVXDJMZRLTA-BSYVCWPDSA-N	330.395	4.649	10	1	EJCF	
CC1=C(C)[C@H]2CC(=O)c3c(O)c(C(C)C)c(O)c(O)c3[C@]2(C)CC1	13301391	OJKNMVFTHZUMCZ-MPBGBICISA-N	330.424	4.517	10	1	EJCF	biogenic
C[C@@H](Cc1ccc2c(c1)OC(C)(C)O2)[C@H](C)Cc1ccc(O)c(O)c1	26636924	OKICUVFALUVGOB-KGLIPLIRSA-N	342.435	4.663	10	1	EJCF	
C[C@@]1(c2ccc(F)cc2O)NCCc2cc(-c3ccccc3)ccc21	962664464	HAYOUJPRTVIJJC-JOCHJYFZSA-N	333.406	4.608	10	1	EJCF	
Cc1ccc2nc(-c3ccc(Cl)cn3)c(NCc3ccccc3)n2c1	1772613236	MWUDXZMTFVOLHM-UHFFFAOYSA-N	348.837	4.970	10	1	EJCF	
CCOC(=O)c1c(O)csc1Nc1cc(Cl)cc(Cl)c1	169730438	RMVNQHOQMYBQJN-UHFFFAOYSA-N	332.208	4.681	10	1	EJCF	
O=C(O)CCSC(=O)Nc1ccc(/N=N/c2ccccc2)cc1	5809545	VJZSWYVJGBJPID-VHEBQXMUSA-N	329.381	4.842	10	1	EJCF	
CC1=C(C)[C@@H]2CC(=O)c3c(O)c(C(C)C)c(O)c(O)c3[C@]2(C)CC1	13301390	OJKNMVFTHZUMCZ-FKIZINRSSA-N	330.424	4.517	10	1	EJCF	biogenic
Oc1ccc(Cl)c(F)c1[C@@H]1NCCc2c(Cl)cc(Cl)cc21	963119527	GYSYQOBPWJTUNA-OAHLLOKOSA-N	346.616	4.727	10	1	EJCF	
Oc1[nH]c2ccccc2c1/N=N/c1ncnc2c1oc1ccccc12	17835888	YWWKVXLUTGCJAZ-GHVJWSGMSA-N	329.319	4.978	10	1	EJCF	
Cc1[nH]c2ccccc2c1N=Nc1c(C)n(C)n(-c2ccccc2)c1=O	261137256	MHIANZCPSGPKQH-UHFFFAOYSA-N	345.406	4.690	10	1	EJCF	
COc1cccc(C)c1-c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1	587786769	MPWAEKJLVVHCOO-UHFFFAOYSA-N	345.402	4.921	10	1	EJCF	
Nc1c2ccccc2nc2ccc3c(=O)cc(-c4ccccc4)oc3c12	6006894	KJASZOGBCZIQRO-UHFFFAOYSA-N	338.366	4.744	10	1	EJCF	
CCCCCCOc1ccc2[nH]c3c(c2c1)C(=O)c1ccccc1C3=O	299828786	WTPJNQTXBQJHME-UHFFFAOYSA-N	347.414	4.902	10	1	EJCF	
C/C(=C\N=N\c1nnc2c(n1)[nH]c1c(C)cccc12)Cc1ccco1	169688528	ZGJPNPZXPBBLIV-IKSHACEYSA-N	332.367	4.638	10	1	EJCF	
COc1cccc([C@H]2Nc3ccc(C(C)=O)cc3[C@@H]3C=CC[C@@H]23)c1OC	1439296	PFQLKUOLASFGDB-ZOCZFRKYSA-N	349.430	4.733	10	1	EJCF	
Nc1ccc(Oc2ccc3nc(-c4occ5c4CCC5)[nH]c3c2)cc1	586905490	QUZAFLSAZIMUTB-UHFFFAOYSA-N	331.375	4.686	10	1	EJCF	
CC[C@@]1(c2cc(Cl)c(C)cc2O)NCCc2c1sc(C)c2C	963019656	HZPKUUYVVDJKTL-SFHVURJKSA-N	335.900	4.832	10	1	EJCF	
CCCN1C(=O)/C(=C/c2ccc(-c3ccccc3)o2)SC1=S	45393958	JOLSMVHQAFFNTB-PTNGSMBKSA-N	329.446	4.558	10	1	EJCF	
CN(C)c1ccc([C@H]2CC(c3cccnc3)=NN2c2ccccc2)cc1	103202549	GQZWWRMRSOPDBC-JOCHJYFZSA-N	342.446	4.503	10	1	EJCF	
Oc1ccccc1[C@@H]1NC(=S)Nc2c1sc1ccc(Cl)cc21	1857548519	HFNALEFTCWISIN-ZDUSSCGKSA-N	346.864	4.650	10	1	EJCF	
C[C@@H]1CCc2sc(C(=O)N=Nc3c(O)[nH]c4ccccc34)cc2C1	253966680	IDTLLEGPJGIDAJ-SNVBAGLBSA-N	339.420	4.984	10	1	EJCF	
Cc1ccc([C@@H](c2c(O)ccc3ccccc23)N2CCCC2=O)cc1	1772584277	DFWOIMNMFISGKU-QFIPXVFZSA-N	331.415	4.566	10	1	EJCF	
COc1cc(C)c(-c2c(O)cc(O)c3c2C=C(C)NC3)c2ccccc12	154107825	CVDCCGXOHNPZGC-UHFFFAOYSA-N	347.414	4.699	10	1	EJCF	
COc1ccc([C@@H](C)/N=N/c2nc3ccccc3nc2C)cc1OC	169688902	VYUKGQCSVWZNAT-GHPOMHATSA-N	336.395	4.800	10	1	EJCF	
Nc1ccc(/C=C/c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)cc1	587252168	SAVNLRGKFVVCFO-KGVSQERTSA-N	342.402	4.690	10	1	EJCF	
CCCC[C@@H]1CN(c2ccc(OC)c(-c3ccccc3)c2)CC[C@H]1N	28821808	AVKIJLCUJVRYSR-WIYYLYMNSA-N	338.495	4.706	10	1	EJCF	
CCn1c(C)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c2ccccc21	587390191	KZDAHZSJHGASHK-LJQANCHMSA-N	334.419	4.567	10	1	EJCF	
CN(C)c1ccc(N=Nc2ccc(-c3nc4cnncc4[nH]3)cc2)cc1	587194977	DRMSFKDPGMYTKC-UHFFFAOYSA-N	343.394	4.501	10	1	EJCF	
Oc1[nH]c2ccccc2c1/N=N/C(=S)Nc1ncc(C2CCC2)o1	34634567	YCNHVVTXNSOUOZ-QZQOTICOSA-N	341.396	4.610	10	1	EJCF	
CNc1cc(/C=C/c2c(C)[nH]c3ccccc23)[n+](C)c2ccccc12	96910890	SMXTVTKALJLBPD-UHFFFAOYSA-O	328.439	4.666	10	1	EJCF	
Clc1ccsc1C1=NN[C@H](c2ccc(N3CCCCC3)cc2)C1	103221539	IFJMCLFXJCIPHS-INIZCTEOSA-N	345.899	4.831	10	1	EJCF	
COc1ccc([C@@H]2CC(c3ccccc3)=NN2c2ccc(N)cc2)cc1	4030219	MABUXSYOWQWPPM-QFIPXVFZSA-N	343.430	4.633	10	3	EJCF	
Nc1ccc2c(Nc3ccc([N+](=O)[O-])cc3)c3ccccc3nc2c1	26936228	BQOOSMBSKZXABR-UHFFFAOYSA-N	330.347	4.622	10	1	EJCF	
CCCOc1ccc(/N=N\c2cc(OC)c(OC)c(OC)c2)cc1O	1857635353	VPJMPAMPFHLNQO-VXPUYCOJSA-N	346.383	4.622	10	1	EJCF	
COc1cccc(N[C@@H](c2cccc(C)c2O)[C@H]2CCCCC2=O)c1	66251526	YRAMYGHNHGGDSB-FXAWDEMLSA-N	339.435	4.622	10	1	EJCF	
C[C@@H](/N=N/c1nc(-c2ccc([N+](=O)[O-])cc2)cs1)c1ccccn1	169728114	JJPLJCJBWBBSSW-FZTQVDHZSA-N	339.380	4.958	10	1	EJCF	
NC(=O)/C=C/c1ccc(Nc2c3ccccc3nc3ccccc23)cc1	5162764	KKBVEGAOULRGTK-SDNWHVSQSA-N	339.398	4.630	10	1	EJCF	
COc1ccc2c(c1)[C@]1(CC=C(C)C)CCN(C)[C@H]1N2CC=C(C)C	195267897	ONFAZZRKNWUZAY-VXKWHMMOSA-N	340.511	4.737	10	1	EJCF	
Clc1ccc(N2CCN(/C=C/N=N/c3ccccc3)CC2)cc1	40949582	NFHKYPAGVRDJCK-CMSHASNNSA-N	326.831	4.717	10	1	EJCF	
CCC/C=C/C/C=C/C=C/CN(O)/N=N/c1ccc(C(=O)O)cc1	103259226	VTWYEEABKVKEPZ-DIPSTEIOSA-N	329.400	4.934	10	1	EJCF	
CC(C)n1c2c(c3ccccc31)C(=O)c1cnc3ccccc3c1C2=O	84759409	GINCVTJVWMWQER-UHFFFAOYSA-N	340.382	4.546	10	1	EJCF	
C[C@@H](/N=N/c1nc(-c2ccc([N+](=O)[O-])cc2)cs1)c1ccncc1	169728146	IFPUYGLUCIWUCG-FZTQVDHZSA-N	339.380	4.958	10	1	EJCF	
Nc1ccc(Oc2ccc3nc(CCc4ccccc4F)[nH]c3c2)cc1	587148671	CXVVYZNEFIJESO-UHFFFAOYSA-N	347.393	4.862	10	1	EJCF	
CN(C)c1ccc(/C=C2\C(=O)Nc3c2ccc(Cl)c3Cl)cc1	45260102	MPOCGLVIUTWGEU-LCYFTJDESA-N	333.218	4.552	10	1	EJCF	
Cc1ccc2c(c1)N(C)/C(=C/C=C/c1oc3ccccc3[n+]1C)S2	169323885	CZJUKVRGYGHNGF-UHFFFAOYSA-N	335.452	4.662	10	1	EJCF	
CC1=NN(c2nc(-c3ccccc3)cs2)C(=O)/C1=C/c1ccccc1	223775075	HIIYEICTFMETLT-SFQUDFHCSA-N	345.427	4.616	10	1	EJCF	
CSc1ccc(-c2ccc(C)n2-c2cc(O)cc(C(=O)O)c2)cc1	587926847	QYMOBHZHCPIQCK-UHFFFAOYSA-N	339.416	4.578	10	1	EJCF	
CCCc1c(O)ccc2c1O[C@H](c1c(C)n(C)c3ccccc13)CC2=O	587471482	RMBOTWAIXKXHLM-FQEVSTJZSA-N	349.430	4.851	10	1	EJCF	
Nc1nn(-c2ccccc2)c(O)c1N=Nc1cccc2ccccc12	618008744	NPAADTCSKLHFQL-UHFFFAOYSA-N	329.363	4.729	10	1	EJCF	
Oc1ccccc1CNc1ncccc1-c1ccc2scnc2c1	621430252	QMZTXBKQDLXVDO-UHFFFAOYSA-N	333.416	4.676	10	1	EJCF	
[N-]=[N+]=NCCCCCCc1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1	587259050	ADGZIOBKLUPVLB-UHFFFAOYSA-N	349.442	4.808	10	1	EJCF	
C[C@]12CC[C@H]3[C@@H](CC=C4C[C@](O)(CN=[N+]=[N-])CC[C@@]43C)[C@@H]1CCC2=O	49048337	ILGXPGJLKLPGMH-GJCUDGATSA-N	343.471	4.560	10	1	EJCF	
CC(=O)Nc1ccc(Nc2c3ccccc3[n+](C)c3ccccc23)cc1	26841817	QHGKRLDQSQSYLJ-UHFFFAOYSA-O	342.422	4.520	10	1	EJCF	
CCc1ccc(O)c([C@@]2(C)N[C@@H](CC)Cc3c2[nH]c2ccccc32)c1	962940385	ANAHHLPZESFXAK-OYHNWAKOSA-N	334.463	4.624	10	1	EJCF	
Cc1ccccc1Sc1ccc(/C=C2\SC(=S)NC2=O)cc1	96174927	CAABLWDGSONGEI-GDNBJRDFSA-N	343.498	4.635	10	1	EJCF	
COc1cccc(N[C@H](c2cccc(C)c2O)[C@H]2CCCCC2=O)c1	66251527	YRAMYGHNHGGDSB-PXNSSMCTSA-N	339.435	4.622	10	1	EJCF	
CC(C)CC1=CC(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)O1	2356833316	LLFOKQOKEPZRAL-UHFFFAOYSA-N	339.347	4.725	10	1	EJCF	
CC(C)c1c(O)c(O)c2c(c1O)C(=O)C[C@@H]1C(C)(C)CCC[C@]21C	14774454	DECBSGPKFYQQFD-ODXCJYRJSA-N	332.440	4.597	10	1	EJCF	biogenic
CN(C)CCCNc1c2ccc(Cl)cc2nc2ccc(F)cc12	5957710	KFFGLVQDFLECCP-UHFFFAOYSA-N	331.822	4.544	10	1	EJCF	
Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccccc3[nH]1)[C@H]1CC=C[C@@H]21	587276644	NLFMAEDWPFFFPW-TYILLQQXSA-N	346.390	4.606	10	1	EJCF	
CCC[C@H](c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O)C(C)C	587956789	WNAKZUOFFPNALQ-ZDUSSCGKSA-N	346.430	4.878	10	1	EJCF	
Nc1cc(CO)cc(Nc2c3ccccc3nc3c(Cl)cccc23)c1	27525185	YCYFYKSQGGZAFE-UHFFFAOYSA-N	349.821	4.860	10	1	EJCF	
CC(C)=CCC[C@H](C)c1ccc(C)c(CNCCCCCO)c1O	299834314	SDYGFPMNWYDLRF-KRWDZBQOSA-N	333.516	4.803	10	1	EJCF	
CN1CCc2cc(O)c(O)cc2[C@H]1Cc1ccc(-c2ccccc2)cc1	35050009	VMXLXIXJLUZNKL-OAQYLSRUSA-N	345.442	4.537	10	1	EJCF	
O=c1c2ccccc2[nH]c2nc3ccccc3c(Nc3ccccc3)c12	45301868	MITAEMQOCLQWIW-UHFFFAOYSA-N	337.382	4.973	10	1	EJCF	
CCN(CCC(=O)O)c1ccc(/C=C/c2ccnc3ccccc23)cc1	36382776	FHUPJDRUTXTIKH-JXMROGBWSA-N	346.430	4.706	10	1	EJCF	
CC1=C(Cc2cccc(O)c2O)[C@@]2(C)CC[C@H](O)C(C)(C)[C@@H]2CC1	26168682	NOJVVZWPWGZSPV-BBTUJRGHSA-N	330.468	4.554	10	1	EJCF	
Cc1cc2c(cc1F)[C@](C)(c1ccc(N3CCCCC3)cc1)NCC2	962089140	GCWXAKRYGSBDGB-QFIPXVFZSA-N	338.470	4.534	10	1	EJCF	
COc1cc2c(cc1C)NC(=O)/C2=C/c1c(Cl)[nH]c2ccccc12	6019196	LOMPIJBZOZLSKL-RIYZIHGNSA-N	338.794	4.631	10	1	EJCF	
COc1ccc(N(C)Cc2ccc3c(c2)C=CC(C)(C)O3)cc1OC	73158671	DSUWXUILGOCUQF-UHFFFAOYSA-N	339.435	4.524	10	1	EJCF	
O=[N+]([O-])c1c(Cl)cc(O)c2c1[C@H]1C=CC[C@H]1[C@@H](c1ccccc1)N2	19831025	IVWNHJKZDBXOMY-HWWQOWPSSA-N	342.782	4.780	10	1	EJCF	
c1ccc(NN/N=N/c2ccc(-c3nc4ccccc4[nH]3)cc2)cc1	13005077	BOKHXJODVGTZFE-UHFFFAOYSA-N	328.379	4.845	10	1	EJCF	
Cc1cccc(C)c1NC(=O)/N=N/c1c(O)[nH]c2ccc(F)cc12	28527012	CIDBMADDWPVAFS-QURGRASLSA-N	326.331	4.945	10	1	EJCF	
O=C(Nc1ccccc1)Nc1ccc(/C=C/c2ccc(O)c(O)c2)cc1	89455923	TUZDPOPGRYPYGE-VOTSOKGWSA-N	346.386	4.912	10	1	EJCF	
COc1ccc(-n2c(-c3ccccc3)cc3c2CCCC3)cc1C(=O)O	39194352	AXSYRXIXNOKWOJ-UHFFFAOYSA-N	347.414	4.730	10	1	EJCF	
COc1ccc(/C=C2/SC(c3cccc4ccccc34)=NC2=O)cc1	299827315	GEKFHRVQTFHTRF-CPNJWEJPSA-N	345.423	4.910	10	1	EJCF	
CCCC/C=C/c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O	587965601	NSWTWHHEJYXKPB-BJMVGYQFSA-N	330.387	4.542	10	1	EJCF