smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
COC(=O)[C@@]1(C)N[C@@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(C)C(=O)[C@@H]21	100420143	VSRPPMMZWAVKTF-AHXJXLJNSA-N	345.399	0.560	10	40	ECCB	
COc1ccc(N2CCN(C(=O)CNCCn3cccn3)CC2)cc1	71879235	DDCAPCWNRAAGPV-UHFFFAOYSA-N	343.431	0.830	10	40	ECCB	
CN(C)CCN/C=C1\C(=O)NC(=S)N(CCc2ccccc2)C1=O	101179509	HUOIQRVQACZCMI-WYMLVPIESA-N	346.456	0.508	10	40	ECCB	
CCOC(=O)CCNC(=O)NCc1nnnn1-c1ccc(OC)cc1	9571371	WXAIECMHBJYBHJ-UHFFFAOYSA-N	348.363	0.423	10	40	ECCB	
COc1ccc(N2C(=O)/C(=C\NN3CCOCC3)C(=O)N=C2O)cc1	17138472	JVCASLKKQPJJTR-RAXLEYEMSA-N	346.343	0.203	10	40	ECCB	
COc1ccc(N2CCN(C(=O)[C@@H](C)S(C)(=O)=O)CC2)cc1	42216030	KUDKOENCBDVNIY-GFCCVEGCSA-N	326.418	0.777	10	40	ECCB	
COc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)cc([N+](=O)[O-])c1O	15227046	RHZIJIFPMZUQJN-XVNBXDOJSA-N	337.313	0.566	10	40	ECCB	
CCN(CC)c1ccc(CNC(=O)Cn2ccc(=O)[nH]c2=O)cc1F	66841229	XLIGUFNKFLQRSQ-UHFFFAOYSA-N	348.378	0.838	10	40	ECCB	
O=C1c2ccccc2C(=O)c2c1cccc2S(=O)(=O)NCCO	4185738	XFTDIUIKYZEEPY-UHFFFAOYSA-N	331.349	0.733	10	40	ECCB	
COc1ccc(N2CCN(CCNC(=O)C(=O)NC3CC3)CC2)cc1	56997811	QCEGHJMKEMAMTL-UHFFFAOYSA-N	346.431	0.212	10	40	ECCB	
O=S1(=O)CC[C@H](Nc2ccccc2N[C@@H]2CCS(=O)(=O)C2)C1	40177514	GNLQZQOKKUXNFV-TXEJJXNPSA-N	344.458	0.885	10	40	ECCB	
Cc1ccccc1N1C(=O)/C(=C\NCCN(C)C)C(=O)NC1=S	100933622	ZKZARTMPPXCRGG-BENRWUELSA-N	332.429	0.778	10	40	ECCB	
COc1cccc(N2C(=O)/C(=C/NCCN(C)C)C(=O)NC2=S)c1	19359957	QZEJQESZFOCULQ-JLHYYAGUSA-N	348.428	0.478	10	40	ECCB	
COCCN1C(=O)C[C@@H](N2CCN(c3ccc(OC)cc3)CC2)C1=O	9118402	QLIVEKHVYLZDLM-MRXNPFEDSA-N	347.415	0.591	10	40	ECCB	
NC(=O)CNC(=O)C1=C2CCCN2c2ccc(F)cc2S1(=O)=O	67245868	CARWJWLHJVNWCB-UHFFFAOYSA-N	339.348	0.026	10	40	ECCB	
CCCCN1C(=O)NC(=O)/C(=C\N[C@H](CCSC)C(=O)O)C1=O	20462011	UCUAATNSIGAMGO-AAXQSMANSA-N	343.405	0.545	10	40	ECCB	
[N-]=[N+]=NC[C@@H]1O[C@H](n2cnc3c(NC=O)ncnc32)C[C@H]1C(=O)O	4946651	NARKGZKOKBHIPW-CSMHCCOUSA-N	332.280	0.693	10	40	ECCB	
CCOc1ccccc1N1C(=O)NC(=O)/C(=C/NCCN(C)C)C1=O	101362386	PUGJKFHDEGCKLF-QXMHVHEDSA-N	346.387	0.703	10	40	ECCB	
COc1ccccc1N1CCN(C=C2C(=O)NC(=O)NC2=O)CC1	4335216	BJAXNHISTODEBL-UHFFFAOYSA-N	330.344	0.067	10	40	ECCB	
CN1C(=O)NC(=O)/C(=C\Nc2ccc([N+](=O)[O-])c([N+](=O)[O-])c2)C1=O	408530495	MAFRGUWCGATOFD-FNORWQNLSA-N	335.232	0.507	10	40	ECCB	
CCOc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OC(C)=O	483725	LZABEPWFECUTKU-UHFFFAOYSA-N	334.353	0.925	10	40	ECCB	
O=C1NC(=S)NC(=O)C1=CNc1ccc(C(=O)O)c([N+](=O)[O-])c1	3067011	ZQYNPYSAAJQKPO-UHFFFAOYSA-N	336.285	0.120	10	40	ECCB	
CN(C)CCCN/C=C1\C(=O)NC(=O)N(Cc2ccccc2)C1=O	2285400	KTJWSUYOAIJFRY-SDNWHVSQSA-N	330.388	0.690	10	40	ECCB	
Cc1cc(C(=O)NC(C(N)=O)C(N)=O)c(C)n1-c1ccccc1F	44389599	YVKCSXBGALJFDL-UHFFFAOYSA-N	332.335	0.302	10	40	ECCB	
COc1ccc(NC(=O)NC=C2C(=O)N(C)C(=O)N(C)C2=O)cc1	408534248	PXGLJFXQLXLPIC-UHFFFAOYSA-N	332.316	0.751	10	40	ECCB	
O=C1N=C(O)/C(=C/NNCCO)C(=O)N1CCc1ccc(F)cc1	38160822	BNZFRIZCQYQYRX-XFXZXTDPSA-N	336.323	0.257	10	40	ECCB	
O=C(C[C@H]1SC(=S)NC1=O)Nc1ccc(O)c(C(=O)O)c1	34926894	CTHNOJDGYHHRNI-MRVPVSSYSA-N	326.355	0.936	10	40	ECCB	
CC[C@H](C)N1C(=O)/C(=C\NCCN2CCOCC2)C(=O)N=C1S	102557695	GDPXQXNERIESAT-NIANNCQZSA-N	340.449	0.245	10	40	ECCB	
CN1C(=O)NC(=O)/C(=C\NN2CCCC[C@@H]2c2cccnc2)C1=O	97514689	ZIFUSARHMMUVJC-RSKUSDAESA-N	329.360	0.705	10	40	ECCB	
CN(C)CCCN/C=C1\C(=O)NC(=O)N(c2ccc(F)cc2)C1=O	2209026	OECYPQALNJBUCA-JLHYYAGUSA-N	334.351	0.834	10	40	ECCB	
CN(C)CCCN/C=C1/C(=O)NC(=O)N(c2ccccc2F)C1=O	2244404	MZCIQWQYSRMMCR-KHPPLWFESA-N	334.351	0.834	10	40	ECCB	
CN1C(=O)C(=Cc2coc3ccc(O)cc3c2=O)C(=O)N(C)C1=O	2236021	UAPDSJPNWGQCPQ-UHFFFAOYSA-N	328.280	0.932	10	40	ECCB	
CN(C)CCN/C=C1\C(=O)NC(=O)N(CCC2=CCCCC2)C1=O	2279432	DAOYRFCPWSJYSS-WYMLVPIESA-N	334.420	0.990	10	40	ECCB	
CCOC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1NCc1ccc(N)cc1	575421038	MPNGVUWWCLZQSB-CHWSQXEVSA-N	327.406	0.270	10	40	ECCB	
[N-]=[N+]=N[C@@H]1[C@H](Oc2ccc([N+](=O)[O-])cc2)O[C@H](CO)[C@@H](O)[C@H]1O	255984065	KTWQZFHYGZLIJI-CSYMLDBXSA-N	326.265	0.092	10	40	ECCB	
COc1cc(/C=C2\C(=O)NC(=O)N(C)C2=O)ccc1OCC(=O)O	2284172	QVVXEIDVTHNWBY-WEVVVXLNSA-N	334.284	0.250	10	40	ECCB	
O=C(O)CCC(=O)Nc1ccccc1NC=C1C(=O)NC(=O)NC1=O	16450455	KRRUQTLGWNZFRT-UHFFFAOYSA-N	346.299	0.152	10	40	ECCB	
O=c1[nH]nc2c(N3CCC[C@@H](NCc4ccccc4O)C3)nccn12	67350079	QGUIGZZNAFGHHQ-CYBMUJFWSA-N	340.387	0.882	10	40	ECCB	
Cn1ccc(/C=C2/SC(=S)N([C@H](CC(N)=O)C(=O)O)C2=O)c1	5374011	LQSIDSUNFXYUEU-SXPLAPADSA-N	339.398	0.555	10	40	ECCB	
CNS(=O)(=O)c1cc2c(c(O)c1O)C(=O)c1ccccc1C2=O	72194198	YLHYOGLQXCNPJN-UHFFFAOYSA-N	333.321	0.781	10	40	ECCB	
COc1ccc(/C=C2\C(=O)NC(=S)N(C)C2=O)c(OC)c1OC	4550642	DOKVIBLKSMGQPH-VQHVLOKHSA-N	336.369	0.969	10	40	ECCB	
CC(=O)Nc1ccc2nc(NC=C3C(=O)NC(=O)NC3=O)sc2c1	44827523	SOAVAENAFYMPNL-UHFFFAOYSA-N	345.340	0.917	10	40	ECCB	
CN1C(=O)NC(=O)/C(=C\NC2CCN(Cc3ccccc3)CC2)C1=O	19996028	RDPCGRBFJMEYJN-RVDMUPIBSA-N	342.399	0.833	10	40	ECCB	
O=C1CN(c2ccc(CNC(=O)Cn3ccccc3=O)cc2)CCN1	40519934	PQFXNZMMFDJBGT-UHFFFAOYSA-N	340.383	0.101	10	40	ECCB	
Cc1cn([C@@H]2C[C@H](N=[N+]=[N-])[C@H](CO)O2)c(=O)nc1N1CCOCC1	101623320	JKXBOVDMASPDJZ-SRVKXCTJSA-N	336.352	0.347	10	40	ECCB	
COc1ccc(N2CCN[C@@H](C(=O)N3CCC(CO)CC3)C2)cc1	257305370	SPRNTMBBCOMUFV-QGZVFWFLSA-N	333.432	0.704	10	40	ECCB	
Cc1ccccc1N1C(=O)/C(=C\NN2CCOCC2)C(=O)N=C1O	17162881	FZLRMAVQAIPQNG-BENRWUELSA-N	330.344	0.503	10	40	ECCB	
CN1C(=O)C(=CN[C@@H]2C(=O)[C@]3(C)CC[C@H]2C3(C)C)C(=O)N(C)C1=O	102763838	UULMCFPTNUQDHR-RLFDGXBXSA-N	333.388	0.904	10	40	ECCB	
O=C(CN1C(=O)c2ccccc2C1=O)NN1C(=O)CSC1=S	1465597	SZFWNSVNJCRVGJ-UHFFFAOYSA-N	335.366	0.174	10	40	ECCB	
COc1ccc(N(CC(=O)O)CC(=O)N2CCC[C@@H](C(N)=O)C2)cc1	34926564	NUUFWCVIEUJANM-GFCCVEGCSA-N	349.387	0.310	10	40	ECCB	
COc1cc(N2CCOCC2)ccc1[C@H]1CC(=O)N=C2N=CNN21	409376187	VQQLFYKUTOYNPA-CYBMUJFWSA-N	329.360	0.708	10	40	ECCB	
Cc1ccccc1N1C(=O)/C(=C/NN2CCN(C)CC2)C(=O)N=C1O	20358161	UDFAZYNWYTZINB-ACCUITESSA-N	343.387	0.418	10	40	ECCB	
N[C@@H]1CCCC[C@@H]1N/C=C1\C(=O)NC(=O)N(Cc2ccco2)C1=O	20502157	NQMLYQHGLIYKKQ-GTMNMCRUSA-N	332.360	0.601	10	40	ECCB	
Cc1cc(C(=O)NC(C(N)=O)C(N)=O)c(C)n1-c1cccc(F)c1	56405779	NPPMUDRCBZYFFQ-UHFFFAOYSA-N	332.335	0.302	10	40	ECCB	
CN(C)CCN/C=C1\C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O	2307293	AKNAYTYXPRZCNJ-FMIVXFBMSA-N	336.779	0.958	10	40	ECCB	
Cc1cc(N2CCOCC2)ccc1C=C1C(=O)NC(=S)NC1=O	224956399	FAWWTKCUGRGFEL-UHFFFAOYSA-N	331.397	0.746	10	40	ECCB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(C)C2=O)ccc1OCC(=O)O	4704470	SGIUQNCHGYXWQF-POHAHGRESA-N	348.311	0.640	10	40	ECCB	
O=C1CN(c2ccc(CNC(=O)N3CCSCC3)cc2)CCN1	44971079	RMSMRARFISLSPM-UHFFFAOYSA-N	334.445	0.881	10	40	ECCB	
CC[C@@H](C)N1C(=O)/C(=C/NCCCn2ccnc2)C(=O)NC1=S	20325493	VCPYPEKSZITYJJ-LWMMSDEHSA-N	335.433	0.789	10	40	ECCB	
COc1ccc(N2CCN[C@@H](C(=O)NCCN3CCCC3=O)C2)cc1	257330246	XNOFBMKYTTYOKT-MRXNPFEDSA-N	346.431	0.212	10	40	ECCB	
CC[C@@H](C)N1C(=O)/C(=C/NCCN(CC)CC)C(=O)NC1=S	20292759	CNCVRSWJSGHIIA-KPMWUXBGSA-N	326.466	0.844	10	40	ECCB	
CCc1nc(C(=O)NCc2ccc(N3CCNC(=O)C3)c(F)c2)c[nH]1	95407354	DYBDJNFHQPZJDB-UHFFFAOYSA-N	345.378	0.977	10	40	ECCB	
C[C@@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)N(C)Cc1ccccc1O	69737105	KIVPWNBGBPKAMV-GXTWGEPZSA-N	340.445	0.858	10	40	ECCB	
CC(C)OC(=O)COc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1	409188152	WYYSIKODZTVKNI-UHFFFAOYSA-N	332.312	0.766	10	40	ECCB	
CN(C)S(=O)(=O)N1CCN(Cc2cc3c(cc2O)CCC3)CC1	45723003	IFNILXJOHXVSRN-UHFFFAOYSA-N	339.461	0.805	10	40	ECCB	
CN(CC(=O)NCc1ccc(N2CCCC2)cc1)S(C)(=O)=O	40519891	CYNHXGLXXNVXPM-UHFFFAOYSA-N	325.434	0.794	10	40	ECCB	
COc1cc(/C=C2\C(=O)N(c3nnn[nH]3)N=C2C)cc([N+](=O)[O-])c1O	9934464	XDMCXZHUZWAHIG-BAQGIRSFSA-N	345.275	0.628	10	40	ECCB	
Oc1ccccc1CN[C@@H]1[C@@H](O)CO[C@@H]1Cn1cc(C2CC2)nn1	1549161556	MBTJKEFMMFTUOO-GVDBMIGSSA-N	330.388	0.779	10	40	ECCB	
CCNC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCCN2C)N(C)C	13008702	HMTMNTGOAQJGMM-MRXNPFEDSA-N	332.448	0.924	10	40	ECCB	
CN(C)/C=C1\SC(=S)N(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)C1=O	100326961	NNSTYYQFKPMQNE-SBXOOXIISA-N	349.437	0.972	10	40	ECCB	
O=C1N=C(S)N(C2CCCCC2)C(=O)/C1=C\NN1CCOCC1	6780615	HNVLCFOMUOAXBJ-BENRWUELSA-N	338.433	0.694	10	40	ECCB	
COc1cccc(N2C(=O)NC(=O)/C(=C\NCCN(C)C)C2=O)c1	2333539	YSRUIOABSVOGHN-JLHYYAGUSA-N	332.360	0.313	10	40	ECCB	
O=C1NC(=S)N=C(O)/C1=C\c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O	16383314	MPHCLPAOTLUGGP-UHFFFAOYSA-N	338.257	0.963	10	40	ECCB	
CCCCN1C(=O)NC(=O)/C(=C\N[C@@H](CCSC)C(=O)O)C1=O	20462008	UCUAATNSIGAMGO-DDXVTDLHSA-N	343.405	0.545	10	40	ECCB	
CN(C)c1ccc(CNC(=O)CCNC(=O)c2cnccn2)cc1	48365695	ZBWSKQXCGJCWMN-UHFFFAOYSA-N	327.388	0.979	10	40	ECCB	
O=C1NC(=O)N(CCC2=CCCCC2)C(=O)/C1=C/NN1CCOCC1	5557498	MWMIYEUUPMLKOF-WYMLVPIESA-N	348.403	0.676	10	40	ECCB	
COc1ccc(NC(=O)CC2(C)NNC(=S)NN2)c(OC)c1	5614250	CRZLCXWQERQXDY-UHFFFAOYSA-N	325.394	0.236	10	40	ECCB	
NC(=O)c1ccc(-c2ccc(C=C3C(=O)NC(=S)NC3=O)o2)cc1	96193231	QSDXDDWVIFDREU-UHFFFAOYSA-N	341.348	0.960	10	40	ECCB	
CC[C@@H](C)N1C(=O)/C(=C/NCCN2CCCCC2)C(=O)NC1=S	20290861	MVLAHIFZBNPYJL-RVROTUBLSA-N	338.477	0.988	10	40	ECCB	
COC(=O)COc1ccccc1C=C1C(=O)N(C)C(=S)N(C)C1=O	59140032	GDDAWQWAESCTID-UHFFFAOYSA-N	348.380	0.837	10	40	ECCB	
CN1CCN(c2cc3c(cc2F)[n+]([O-])c2c([n+]3[O-])CCCC2)CC1	4624636	XAHWKZGCQCURCC-UHFFFAOYSA-N	332.379	0.876	10	40	ECCB	
Cc1c(C(=O)NCc2ccc(N3CCNC(=O)C3)cc2)cnn1C	44933785	YJGIVDSCSHAGJY-UHFFFAOYSA-N	327.388	0.595	10	40	ECCB	
CC[C@H](C)N1C(=O)/C(=C\NN2CCN(C)CC2)C(O)=NC1=S	38160755	LVENRHSKQIBCMG-RGAIUGGKSA-N	325.438	0.504	10	40	ECCB	
[N-]=[N+]=N[C@@H]1[C@H](Oc2ccc([N+](=O)[O-])cc2)O[C@H](CO)[C@H](O)[C@@H]1O	83301288	KTWQZFHYGZLIJI-YBXAARCKSA-N	326.265	0.092	10	40	ECCB	
C[C@@H](O)[C@H](O)c1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1C2=O	31163888	BMKQPAJRQUUYGC-BAHMLBHCSA-N	330.292	0.993	10	40	ECCB	biogenic,in-vitro
COCCCN1C(=O)/C(=C\N2CCC(C(N)=O)CC2)SC1=S	8990959	MIWTUMOKCOJIRT-PKNBQFBNSA-N	343.474	0.922	10	40	ECCB	
CN1C(=O)C(=Cc2cc3c(cc2[N+](=O)[O-])OCO3)C(=O)N(C)C1=O	3109071	MKQKULMLVCFRAP-UHFFFAOYSA-N	333.256	0.757	10	40	ECCB	
COc1cc(C=C2C(=O)NC(=S)NC2=O)c([N+](=O)[O-])cc1OC	96193602	CQINDKVYYXWCDX-UHFFFAOYSA-N	337.313	0.526	10	40	ECCB	
Nc1nc(Cl)c(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(=O)[nH]1	5323799	OKTDGVJYDJMDKJ-TWGQIWQCSA-N	331.719	0.467	10	40	ECCB	
Cn1c(=O)ccn(CC(=O)NCc2ccc(N3CCCC3)cc2)c1=O	40514248	DCKRTOCTEMQRMR-UHFFFAOYSA-N	342.399	0.464	10	40	ECCB	
CN(C)CCCN/C=C1\C(=O)NC(=S)N(C2CCCCC2)C1=O	2228180	HEOWZAUTYIODHE-ACCUITESSA-N	338.477	0.988	10	40	ECCB	
CN1CCN([C@H](CNS(C)(=O)=O)c2ccc(N(C)C)cc2)CC1	22589444	DLPOAWWFFIIXIT-MRXNPFEDSA-N	340.493	0.590	10	40	ECCB	
O=C(C1=CC=CN2CCS(=O)(=O)N=C12)N1CCOc2ccccc21	65414054	CPTPXIHQJPGZKU-UHFFFAOYSA-N	345.380	0.910	10	40	ECCB	
Cn1ccnc1CN1C(=O)CO[C@H]2CN(Cc3ccccc3O)C[C@H]21	67897340	HIBCMJPJXKSCMY-ZBFHGGJFSA-N	342.399	0.738	10	40	ECCB	biogenic,in-vitro
CC1=NN(C(N)=S)C(=O)[C@H]1/N=N/c1ccc(S(N)(=O)=O)cc1	100524836	GFLQGDFQSKXCKU-SOLLPLKKSA-N	340.390	0.248	10	40	ECCB	
O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C\NCCCn1ccnc1	6554043	HOAKUUQDCAJTCW-LCYFTJDESA-N	343.343	0.618	10	40	ECCB	
CCOc1cccc(C=C2C(=O)NC(=O)NC2=O)c1OCC(=O)O	4723952	ROZPNWUVEWTYAB-UHFFFAOYSA-N	334.284	0.298	10	40	ECCB	
Cc1cc(NC(=O)NCc2ccc(N3CCNC(=O)C3)cc2)n(C)n1	43432854	VHPRCRQWBXSFSP-UHFFFAOYSA-N	342.403	0.986	10	40	ECCB	
O=C1/C(=C\NN2CCOCC2)C(O)=NC(=S)N1c1ccccc1	17137968	RGTQAXKFYQIHGS-BENRWUELSA-N	332.385	0.995	10	40	ECCB	
CN(C)S(=O)(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	56129856	BIBWTJTXSMYKDJ-CYBMUJFWSA-N	340.449	0.284	10	40	ECCB	
CCN(CCO)c1ccc(NC=C2C(=O)NC(=S)NC2=O)cc1	100722255	YNWDIKRPOCENOV-UHFFFAOYSA-N	334.401	0.332	10	40	ECCB	
O=C1c2ccccc2C(=O)c2c(O)c(NCCNCCO)cc(O)c21	5390382	QVDYNRJLVYYQRZ-UHFFFAOYSA-N	342.351	0.867	10	40	ECCB	
CN(C)CCN/C=C1\C(=O)NC(=O)N(CCc2ccccc2)C1=O	100792173	QIAQCHHKVHDZCV-WYMLVPIESA-N	330.388	0.343	10	40	ECCB	
O=C1N=C(O)/C(=C/NN2CCOCC2)C(=O)N1Cc1ccccc1	9008331	XWJZKXVLAOADLT-RAXLEYEMSA-N	330.344	0.826	10	40	ECCB	
CN1C(=O)C(=Cc2cc([N+](=O)[O-])c(O)cc2O)C(=O)N(C)C1=S	59139213	FSEQQFKGSAYZAT-UHFFFAOYSA-N	337.313	0.605	10	40	ECCB	
Cc1cc(C)c(N2C(=O)NC(=O)/C(=C\NCC(=O)O)C2=O)c(C)c1	408533803	PDCUKJADRRVQIB-IZZDOVSWSA-N	331.328	0.753	10	40	ECCB	
C[C@@H](Oc1ccc(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc1)C(=O)O	39557442	WUQUEQHTGPFCQS-SECBINFHSA-N	332.312	0.972	10	40	ECCB	
CN1CCN(N/C=C2\C(=O)N=C(O)N(c3ccccc3F)C2=O)CC1	20291128	IBIVDVMLVFAWRI-ZHACJKMWSA-N	347.350	0.249	10	40	ECCB	
O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\Nc1nnn[nH]1	100544975	JAEIPILOYVDGMX-YVMONPNESA-N	333.695	0.432	10	40	ECCB	
CCCCN1C(=O)/C(=C/NN2CCN(C)CC2)C(O)=NC1=S	20332036	CEEOLUGCMJKTQO-ZHACJKMWSA-N	325.438	0.506	10	40	ECCB	
COc1ccc(N2C(=O)/C(=C/NCCN(C)C)C(=O)NC2=S)cc1	2274201	JNNBXYMLJROHRQ-JLHYYAGUSA-N	348.428	0.478	10	40	ECCB	
O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C\NCCN1CCCCC1	20023914	XORHONPLTVMSPA-KAMYIIQDSA-N	346.387	0.817	10	40	ECCB	
NC(=O)C(=CN1C(=O)/C(=C\c2ccccc2O)SC1=S)C(N)=O	6513696	LQUDYGWWRNEQEP-BJMVGYQFSA-N	349.393	0.448	10	40	ECCB	
CCCCN1C(=O)/C(=C/NCCN(CC)CC)C(=O)NC1=S	19995460	XKMAQUMUTZQSBT-VAWYXSNFSA-N	326.466	0.845	10	40	ECCB	
CC1(C)[C@]2(C)CC[C@@]1(C(=O)NCCCN1CCOCC1)C(=O)C2=O	28465014	ZXASENIBVLEYGR-MSOLQXFVSA-N	336.432	0.789	10	40	ECCB	
O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/NCCCn1ccnc1	100782736	HOAKUUQDCAJTCW-UKTHLTGXSA-N	343.343	0.618	10	40	ECCB	
CN1C(=O)C(=CNCc2nc(-c3ccccc3)no2)C(=O)N(C)C1=O	20592035	AUPWWAKDSUELJK-UHFFFAOYSA-N	341.327	0.761	10	40	ECCB	
CC1=NN(c2ccccc2)C(=O)[C@@H]1/C=C1/C(=O)NC(=S)N(C)C1=O	19814628	SXIBLICFIHIRMJ-HQQGHWSLSA-N	342.380	0.825	10	40	ECCB	
C[C@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)N(C)Cc1ccccc1O	69737108	KIVPWNBGBPKAMV-OCCSQVGLSA-N	340.445	0.858	10	40	ECCB	
O=C1NC(=O)C(=CN[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)C(=O)N1	20572481	MWTHXJKIZFXYKV-LBPRGKRZSA-N	342.311	0.003	10	40	ECCB	
O=C(NN1C(=O)CSC1=S)[C@@H]1CC(=O)N(c2ccccc2)C1	6240818	QPAKJGPXMQTPMX-SECBINFHSA-N	335.410	0.931	10	40	ECCB	
O=C1CSC(=S)N1NC(=S)SCCCS(=O)(=O)O	3156388	LCGAXQZRXJXBSE-UHFFFAOYSA-N	346.502	0.647	10	40	ECCB	
CO[C@H]1C=C[C@@](CNC(=O)c2ccc(-n3cccn3)nn2)(OC)O1	75163875	HXLUEKPWSFFEDW-UKRRQHHQSA-N	331.332	0.294	10	40	ECCB	
C[C@H](NC(=O)NCc1ccc(N2CCNC(=O)C2)cc1)[C@@H]1CCCO1	31122791	PNFYBJZLMCPUTB-BBRMVZONSA-N	346.431	0.990	10	40	ECCB	
CC1(C)OC(=O)C(=CNc2ccc(S(N)(=O)=O)cc2)C(=O)O1	10120826	WTMCMTFEJDQVAZ-UHFFFAOYSA-N	326.330	0.466	10	40	ECCB	
COc1ccc(N2CCN(C(=O)c3c[nH]c(=O)n(C)c3=O)CC2)cc1	70634669	OTUXTAIIAHFSKU-UHFFFAOYSA-N	344.371	0.045	10	40	ECCB	
O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C\Nc1nnn[nH]1	5568647	VWSWQCSCDPRATB-YVMONPNESA-N	333.695	0.432	10	40	ECCB	
O=C1N=C(O)/C(=C\NN2CCOCC2)C(=O)N1CCc1ccccc1	34236426	ZKOFYBCTHYTOML-WYMLVPIESA-N	344.371	0.869	10	40	ECCB	
O=C1NC(=S)NC(=O)C1=CNc1ccc(Cl)c(C(=O)O)c1	18996566	URYKOWLVOKJACP-UHFFFAOYSA-N	325.733	0.865	10	40	ECCB	
CCN(C)c1ccc(Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1	72295926	CVWPLSKMHQPHNJ-UHFFFAOYSA-N	327.388	0.938	10	40	ECCB	
O=C(/C=C/c1ccc(N2CCOCC2)cc1)N[C@@H]1CCCNC1=O	75607291	XQCKYCFVEMBZOF-CDVVCGDMSA-N	329.400	0.931	10	40	ECCB	
CN(C)c1ccc(CNC(=O)NC[C@H]2CCS(=O)(=O)C2)cc1	46072353	VTFXXGVBSOPXDX-CYBMUJFWSA-N	325.434	0.987	10	40	ECCB	
COc1ccc(N2CCN(c3cc(C)ncn3)[C@H](C(N)=O)C2)cc1	253478197	JTHAFIYQBAEAGH-HNNXBMFYSA-N	327.388	0.974	10	40	ECCB	
CN(C)c1ccc([C@@H](CNS(C)(=O)=O)N2CCOCC2)cc1	22665886	KPCOOYVGELXAGV-OAHLLOKOSA-N	327.450	0.675	10	40	ECCB	
CCNC(=O)N1CCN(Cc2nnnn2-c2ccc(OC)cc2)CC1	21151280	GKGODVJGLIQDMI-UHFFFAOYSA-N	345.407	0.518	10	40	ECCB	
CN1C(=O)/C(=C/c2ccc3c(c2)n(C)c(=O)n3C)C(O)=NC1=S	33658155	UFHNFUKCCAZBBX-RMKNXTFCSA-N	330.369	0.974	10	40	ECCB	
Cc1cc(O)nc(Sc2ccc(C=C3C(=O)NC(=O)NC3=O)o2)n1	409098807	MBFBUWAYVWKFJM-UHFFFAOYSA-N	346.324	0.984	10	40	ECCB	
C[C@H](C(=O)NCc1ccc(N2CCNC(=O)C2)cc1)n1cncn1	31421766	DKKAUDPBMQBNCZ-GFCCVEGCSA-N	328.376	0.092	10	40	ECCB	
O=C1NC(=S)NC(=O)C1=CNc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1	16385547	VGBAYPQTSXQOMP-UHFFFAOYSA-N	337.273	0.330	10	40	ECCB	
Cc1ccccc1N1C(=O)NC(=O)/C(=C\N2CCN(C)CC2)C1=O	408529295	HKFHWAIKVRFALF-ACCUITESSA-N	328.372	0.709	10	40	ECCB	
CC(=O)N1C(=O)/C(=C2\SC(NCCO)=NC2=O)c2ccccc21	256055690	PVFKWQOBFADGSA-QXMHVHEDSA-N	331.353	0.502	10	40	ECCB	
O=C1N=C(O)N(c2ccccc2F)C(=O)/C1=C/NN1CCOCC1	36559484	APTFQLFGHOZQGW-MDZDMXLPSA-N	334.307	0.334	10	40	ECCB	
NC(=O)C(=CN1C(=O)/C(=C/c2cccc(O)c2)SC1=S)C(N)=O	8665183	XHEYSDKRFSHOIP-YHYXMXQVSA-N	349.393	0.448	10	40	ECCB	
CN(C)CCN/C=C1/C(=O)NC(=O)N(Cc2ccc(F)cc2)C1=O	2409433	OSDHHJVZFHJAED-LCYFTJDESA-N	334.351	0.439	10	40	ECCB	
O=C1c2ccccc2C(=O)c2cc(S(=O)(=O)NCCO)ccc21	4181437	SCECDYZDHPLRKY-UHFFFAOYSA-N	331.349	0.733	10	40	ECCB	
COc1cccc(C=C2C(=O)NC(=O)NC2=O)c1O[C@@H](C)C(=O)O	409232640	ATXWFZBOJJEINJ-ZETCQYMHSA-N	334.284	0.297	10	40	ECCB	
CN(C)CCCN/C=C1\C(=O)NC(=O)N(CCc2ccccc2)C1=O	100587126	IWFRLNKPPPGCTA-FYWRMAATSA-N	344.415	0.733	10	40	ECCB	
CN(C)/N=N/c1ccc(S(=O)(=O)NC(=O)CCC(=O)O)cc1	2196700	JYMIPKFEGDJIGI-FYWRMAATSA-N	328.350	0.917	10	40	ECCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\NC(=N)N[N+](=O)[O-])C2=O)cc1C	408530374	LPMGIOMFYPWYEL-UXBLZVDNSA-N	346.303	0.076	10	40	ECCB	
O=C1NC(=S)NC(=O)C1=Cc1cc(O)c(O)c(Br)c1	256055596	MPIBNTNHFOBXPH-UHFFFAOYSA-N	343.158	0.775	10	40	ECCB	
CCOCc1cc(CNC[C@@H]2COC[C@@H](O)[C@H]2O)ccc1OC	585285551	FEICWWLCFMDHPH-INMHGKMJSA-N	325.405	0.690	10	40	ECCB	
CC(C)c1ccc(N2C(=O)/C(=C/NNCCO)C(=O)NC2=S)cc1	13550893	PVZKIXMFCNECJY-UKTHLTGXSA-N	348.428	0.528	10	40	ECCB	
COc1cccc([C@@H]2N[C@](C)(C(=O)O)[C@H]3C(=O)N(C)C(=O)[C@@H]32)c1O	19858479	XDQGAOKGLVNKPO-BBKSZCTCSA-N	334.328	0.119	10	40	ECCB	biogenic,in-vitro
Nc1nc(N)c2c(n1)O[C@@]1(COCCN(Cc3ccccc3O)C1)C2	257279654	OHPILFCNILODDO-KRWDZBQOSA-N	343.387	0.553	10	40	ECCB	
COC(=O)/C=C/c1ccc(N2CCN(C)[C@@H](CO)C2)c([N+](=O)[O-])c1	585134915	PBCPWJHNHAYMLE-DIECRNLCSA-N	335.360	0.894	10	40	ECCB	
CCn1c(N)c(N2CCN(c3ccc(OC)cc3)CC2)c(=O)[nH]c1=O	6831675	MFSHAKXTUAZGFQ-UHFFFAOYSA-N	345.403	0.474	10	40	ECCB	
C[N+](C)(C)CCN/C=C1\C(=O)NC(=O)N(Cc2ccccc2)C1=O	6202648	JCUHMJNASNMBMU-UHFFFAOYSA-O	331.396	0.445	10	40	ECCB	
COc1cccc(N2C(=O)NC(=O)/C(=C/NCCN(C)C)C2=O)c1	101364013	YSRUIOABSVOGHN-RAXLEYEMSA-N	332.360	0.313	10	40	ECCB	
COc1ccc(N2CCN(C(=O)[C@H](C)S(C)(=O)=O)CC2)cc1	42216028	KUDKOENCBDVNIY-LBPRGKRZSA-N	326.418	0.777	10	40	ECCB	
CN(C)CCN/C=C1\C(=O)N(C)C(=S)N(c2ccccc2)C1=O	19995510	XPGFQAPTULPQSA-ACCUITESSA-N	332.429	0.812	10	40	ECCB	
COc1ccc(N2CCN(C(=O)[C@@H]3C[C@H](OC)CN3)CC2)cc1F	583618160	HAWINPJXTIEDIW-ZFWWWQNUSA-N	337.395	0.860	10	40	ECCB	
[N-]=[N+]=N[C@H]1[C@H](Oc2ccc([N+](=O)[O-])cc2)O[C@@H](CO)[C@@H](O)[C@H]1O	33875502	KTWQZFHYGZLIJI-MTVMDMGHSA-N	326.265	0.092	10	40	ECCB	
C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)N(C)Cc1ccccc1O	69737106	KIVPWNBGBPKAMV-TZMCWYRMSA-N	340.445	0.858	10	40	ECCB	
CCN(CC)CCN/C=C1\C(=O)NC(=O)N(Cc2ccco2)C1=O	2298219	XNHGDACITWTKEF-JLHYYAGUSA-N	334.376	0.673	10	40	ECCB	
CCOc1cc([N+](=O)[O-])cc(C=C2C(=O)NC(=S)NC2=O)c1O	3032470	UFJCTNLCGBVGCM-UHFFFAOYSA-N	337.313	0.613	10	40	ECCB	
COc1ccc(N(C)CC(=O)N[C@H]2CCCCNC2=O)cc1OC	58356306	RZFBIPWHISGQMR-ZDUSSCGKSA-N	335.404	0.925	10	40	ECCB	
Cc1nn(C)c(C)c1C(=O)NCc1ccc(N2CCNC(=O)C2)cc1	42078297	GJYWHWLDOOLOED-UHFFFAOYSA-N	341.415	0.903	10	40	ECCB	
COCC1=NNC(=O)/C1=C\Nc1ccc(S(=O)(=O)N(C)C)cc1	100374997	MPUMXOSQGORUEN-WQLSENKSSA-N	338.389	0.365	10	40	ECCB	
N[C@H]1CCCC[C@@H]1N/C=C1\C(=O)NC(=O)N(Cc2ccco2)C1=O	19359017	NQMLYQHGLIYKKQ-DPGNGVPNSA-N	332.360	0.601	10	40	ECCB	
CO[C@@H]1C=C[C@](CNC(=O)c2ccc(-n3cccn3)nn2)(OC)O1	75163877	HXLUEKPWSFFEDW-ZFWWWQNUSA-N	331.332	0.294	10	40	ECCB	
COC(=O)c1c(NC=C2C(=O)NC(=S)NC2=O)sc(C)c1C	16991824	XGSLUKYCDQQGID-UHFFFAOYSA-N	339.398	0.978	10	40	ECCB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\Nn3cnnc3)C2=O)cc1	408528921	GIACAXYCVOOXGO-KPKJPENVSA-N	342.315	0.387	10	40	ECCB	
COC(=O)c1ccc2nc(NC=C3C(=O)NC(=O)NC3=O)sc2c1	44827520	MKCTWYHGMICCHB-UHFFFAOYSA-N	346.324	0.745	10	40	ECCB	
Cc1nn(-c2ccccc2)c(O)c1C=C1C(=O)NC(=S)NC1=O	100855154	PIVKNLIHWWAAAT-UHFFFAOYSA-N	328.353	0.801	10	40	ECCB	
C[C@@H](Oc1ccccc1/C=C1\C(=O)NC(=S)N(C)C1=O)C(=O)O	409190459	NYLFPXQALKPYJA-RYGSOJJJSA-N	334.353	0.795	10	40	ECCB	
COc1ccc(N2CCN[C@@H](C(=O)NCCn3ccc(C)n3)C2)cc1	257262207	LKOZPGZWQSVNOU-QGZVFWFLSA-N	343.431	0.795	10	40	ECCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\NCCN(C)C)C2=O)c1C	20393868	IURVEHCAJIVSRS-JLHYYAGUSA-N	330.388	0.921	10	40	ECCB	
Cc1cn([C@@H]2C[C@@H](N=[N+]=[N-])[C@H](CO)O2)c(=O)nc1N1CCOCC1	101623325	JKXBOVDMASPDJZ-WOPDTQHZSA-N	336.352	0.347	10	40	ECCB	
O=C1NC(=S)N(CCC2=CCCCC2)C(=O)/C1=C/NCCCO	5829785	JFHPVVJDBYJKSR-ACCUITESSA-N	337.445	0.976	10	40	ECCB	
Cc1ccccc1N1C(=O)/C(=C/NCCN(C)C)C(=O)NC1=S	19204195	ZKZARTMPPXCRGG-ZRDIBKRKSA-N	332.429	0.778	10	40	ECCB	
CN1C(=O)C(=CN[C@H]2C(=O)[C@]3(C)CC[C@H]2C3(C)C)C(=O)N(C)C1=O	20479209	UULMCFPTNUQDHR-AGKHESDQSA-N	333.388	0.904	10	40	ECCB	
O=C1CN(c2ccc(CNC(=O)c3ccc[nH]c3=O)cc2F)CCN1	71904036	KANCJXXYWVQVPG-UHFFFAOYSA-N	344.346	0.380	10	40	ECCB	
CN(C)CCCN/C=C1/C(=O)NC(=O)N(c2ccc(F)cc2)C1=O	102414716	OECYPQALNJBUCA-RAXLEYEMSA-N	334.351	0.834	10	40	ECCB	
N[C@H]1CCCC[C@H]1N/C=C1\C(=O)NC(=O)N(Cc2ccco2)C1=O	20502162	NQMLYQHGLIYKKQ-UAIPSJAGSA-N	332.360	0.601	10	40	ECCB	
CC(=O)N1C[C@H]2C[C@@H](O)CN2C2(CN(Cc3ccccc3O)C2)C1	514289516	NAJXUFYBZPNIAV-HZPDHXFCSA-N	331.416	0.244	10	40	ECCB	biogenic,in-vitro
CC(C)OC(=O)COc1ccc(C=C2C(=O)NC(=S)NC2=O)cc1	409189162	JCVACOMRFUAYNY-UHFFFAOYSA-N	348.380	0.931	10	40	ECCB	
Cc1nn(-c2ccc(F)cc2)c(O)c1C=C1C(=O)NC(=S)NC1=O	273716	BQJVKHLHPAEXKP-UHFFFAOYSA-N	346.343	0.940	10	40	ECCB	
COc1ccccc1N1C(=O)NC(=O)/C(=C\N2CCOCC2)C1=O	408531164	NJRREDRSMHCKIU-ZHACJKMWSA-N	331.328	0.494	10	40	ECCB	
CC(=O)N1C(=O)/C(=C2\SC(NCCCO)=NC2=O)c2ccccc21	256055561	LHKUINCAMRTAKB-SEYXRHQNSA-N	345.380	0.892	10	40	ECCB	
CC[C@@H](C)N1C(=O)/C(=C\NCCN2CCOCC2)C(=O)N=C1S	102557689	GDPXQXNERIESAT-JPQYHBGPSA-N	340.449	0.245	10	40	ECCB	
CN1C(=O)C(=CN[C@@H]2C(=O)[C@@]3(C)CC[C@H]2C3(C)C)C(=O)N(C)C1=O	102763836	UULMCFPTNUQDHR-VGTOOOLASA-N	333.388	0.904	10	40	ECCB	
COc1ccc(N(CC(=O)O)CC(=O)N2CCC[C@H](C(N)=O)C2)cc1	34926563	NUUFWCVIEUJANM-LBPRGKRZSA-N	349.387	0.310	10	40	ECCB	
O=C(O)CNS(=O)(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O	4181455	DURRDEYKNKAQFB-UHFFFAOYSA-N	345.332	0.825	10	40	ECCB	
NC(=O)COc1ccc(Cl)cc1C=C1C(=O)NC(=S)NC1=O	1103872	GMWKISVKAZUNSS-UHFFFAOYSA-N	339.760	0.118	10	40	ECCB	
O=C1NC(=S)NC(=O)C1=Cc1ccc(N2CCOCC2)c(F)c1	409127979	RFCLWXZNWGZHLO-UHFFFAOYSA-N	335.360	0.577	10	40	ECCB	
[N-]=[N+]=N[C@H]1[C@H](Oc2ccc([N+](=O)[O-])cc2F)O[C@H](CO)[C@H](O)[C@@H]1O	258838040	VGSOOKDSKZDDNJ-RMPHRYRLSA-N	344.255	0.231	10	40	ECCB	in-vitro
O=C1N=C(N2CCN(CCO)CC2)S/C1=C\c1cccc(O)c1	508213	SXWLCEVCTGDZTI-KAMYIIQDSA-N	333.413	0.972	10	40	ECCB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\NCCCO)C2=O)cc1	103762446	NXHIZEGIRAQUTP-JLHYYAGUSA-N	333.344	0.524	10	40	ECCB	
CN(C)CCN/C=C1/C(=O)N(C)C(=S)N(c2ccccc2)C1=O	101362420	XPGFQAPTULPQSA-QBFSEMIESA-N	332.429	0.812	10	40	ECCB	
COC(=O)COc1ccccc1/C=C1\C(=O)NC(=S)N(C)C1=O	408915483	WCCVWLGJUSQACK-JXMROGBWSA-N	334.353	0.495	10	40	ECCB	
O=C1N=C(O)/C(=C/NN2CCOCC2)C(=O)N1CCc1ccccc1	9122078	ZKOFYBCTHYTOML-OWBHPGMISA-N	344.371	0.869	10	40	ECCB	
CCOC(=O)COc1ccc(/C=C2\C(=O)NC(=S)N(C)C2=O)cc1	580695	VSSHNKJEPIHAIW-XYOKQWHBSA-N	348.380	0.885	10	40	ECCB	
CN(Cc1ccc(N2CCOCC2)cc1)CN1C(=O)C(=O)N(C)C1=O	12542425	LLGNKGIVEDKDOE-UHFFFAOYSA-N	346.387	0.333	10	40	ECCB	
O=C(Cn1ccc(=O)[nH]c1=O)NCc1ccc(N2CCCC2)cc1	28330864	KOHHBTVDLMVEQK-UHFFFAOYSA-N	328.372	0.453	10	40	ECCB	
CCC(=O)Oc1ccc(C=C2C(=O)NC(=S)NC2=O)cc1OC	178767	OVQBSSNSPJHUNA-UHFFFAOYSA-N	334.353	0.925	10	40	ECCB	
COC(=O)/C=C/c1ccc(N2CCN(C)[C@H](CO)C2)c([N+](=O)[O-])c1	585134914	PBCPWJHNHAYMLE-BPJJOFIESA-N	335.360	0.894	10	40	ECCB	
COCCN1C(=O)/C(=C\Nc2ccc3[nH]ncc3c2)C(=O)NC1=S	6908267	DMADQLCMTXPJCN-FLIBITNWSA-N	345.384	0.748	10	40	ECCB	
COc1ccccc1N1C(=O)NC(=O)/C(=C\NCCCN(C)C)C1=O	2268983	NISMDNVYFSLBGG-VAWYXSNFSA-N	346.387	0.703	10	40	ECCB	
COCCn1c(C)cc(/C=C2/NC(=O)N(CC(=O)OC)C2=O)c1C	5006805	XLBPGJJMMZBFFX-MDWZMJQESA-N	335.360	0.817	10	40	ECCB	
O=C1NC(=O)N(CCc2ccccc2)C(=O)/C1=C/N1CCOCC1	408532959	NKESDFAUSGTYIV-WYMLVPIESA-N	329.356	0.524	10	40	ECCB	
CC(C)N1C(=O)[C@@H]2[C@@H](c3ccccc3O)N[C@@](C)(C(=O)O)[C@@H]2C1=O	19857175	PYLBGKORTKMTSH-APNQJHFZSA-N	332.356	0.889	10	40	ECCB	
O=C(NC1CC1)C(=O)N1CCN(Cc2cc([N+](=O)[O-])ccc2O)CC1	69559290	XQYIESZRYKLLAR-UHFFFAOYSA-N	348.359	0.223	10	40	ECCB	
Cc1nccn1[C@@H]1[C@@H](O)[C@H](NCc2ccccc2O)[C@H]2CO[C@@H]1O2	952844666	FNRMBHNENHHENH-OVYGPGRDSA-N	331.372	0.713	10	40	ECCB	biogenic,in-vitro
COc1ccc(N2CCN(C(=O)CCNS(C)(=O)=O)CC2)cc1	44909081	TVJYTEGORXSWFH-UHFFFAOYSA-N	341.433	0.283	10	40	ECCB	
O=C1NC(=O)N(c2cccc3ccccc23)C(=O)/C1=C/NCCO	408536943	YLBMRXNRFSSLQG-JLHYYAGUSA-N	325.324	0.888	10	40	ECCB	
CO[C@@H]1CCC[C@@H](NC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1O	257241516	HYHMRGWBTGVQHS-XNRPHZJLSA-N	331.372	0.824	10	40	ECCB	
CN(C)CCCN/C=C1\C(=O)NC(=O)N(c2ccccc2F)C1=O	100755976	MZCIQWQYSRMMCR-ZHACJKMWSA-N	334.351	0.834	10	40	ECCB	
CCN(Cc1ccc(N(C)C)cc1)C(=O)Cn1ccc(=O)[nH]c1=O	58157081	YCYNZJWHRZFUKS-UHFFFAOYSA-N	330.388	0.651	10	40	ECCB	
CC(=O)N1C[C@@H]2COCCN2C2(CN(Cc3ccccc3O)C2)C1	604382024	ZLOHQKSXQZQJEN-MRXNPFEDSA-N	331.416	0.510	10	40	ECCB	biogenic,in-vitro
CN(C)/C=C1\SC(=S)N(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)C1=O	4042173	NNSTYYQFKPMQNE-NMTDQKMXSA-N	349.437	0.972	10	40	ECCB	
COc1ccc(N2CCCN(C(=O)C[C@@H]3NC(=O)NC3=O)CC2)cc1	71821399	IRGYVCNDXWFDJD-AWEZNQCLSA-N	346.387	0.332	10	40	ECCB	
CCC(=O)N1CCN(Cc2nnnn2-c2ccc(OC)cc2)CC1	23233341	YXFULRSTXWQEBM-UHFFFAOYSA-N	330.392	0.725	10	40	ECCB	
CCNC(=O)C(=O)NCCN1CCN(c2ccc(OC)cc2)CC1	56997809	IVAWUYOLGZHOFR-UHFFFAOYSA-N	334.420	0.070	10	40	ECCB	
C[C@@H](NC(=O)NCc1ccc(N2CCNC(=O)C2)cc1)[C@H]1CCCO1	40520766	PNFYBJZLMCPUTB-CZUORRHYSA-N	346.431	0.990	10	40	ECCB	
COc1cc(OC)c(/C=C2\C(=O)NC(=S)N(C)C2=O)c(OC)c1	408911371	NBYUFPJETOVFCZ-JXMROGBWSA-N	336.369	0.969	10	40	ECCB	
COc1ccc2c(C)cc(NNC=C3C(=O)NC(=O)NC3=O)nc2c1	6831288	KGVAWBVPDRMFPR-UHFFFAOYSA-N	341.327	0.718	10	40	ECCB	
CCOC(=O)COc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OC	5458699	BEQBTHVJYRQTIN-UHFFFAOYSA-N	348.311	0.387	10	40	ECCB	
Cc1cccc(N2C(=O)/C(=C\NN3CCOCC3)C(=O)NC2=S)c1	19949342	XSBLBVFISOIEEE-RAXLEYEMSA-N	346.412	0.463	10	40	ECCB	
CN(C)c1ccc(CNC(=O)[C@@H]2CCCN2S(C)(=O)=O)cc1	30523523	MOCMPBZKSVIYJJ-AWEZNQCLSA-N	325.434	0.793	10	40	ECCB	
CN(Cc1ccc(N2CCCC2)cc1)C(=O)C[C@H]1NC(=O)NC1=O	97597413	JTMKLOWUVIJEQK-CQSZACIVSA-N	330.388	0.843	10	40	ECCB	
CC(=O)OC[C@H]1O[C@@H](n2ccc(-n3cncn3)nc2=O)C[C@@H]1N=[N+]=[N-]	5663875	SGSTZVCBHMEELE-HOSYDEDBSA-N	346.307	0.354	10	40	ECCB	
Cn1ccc(/C=C2/SC(=S)N([C@@H](CC(N)=O)C(=O)O)C2=O)c1	5374009	LQSIDSUNFXYUEU-DHFUWRPHSA-N	339.398	0.555	10	40	ECCB	
CN(C)CCN/C=C1\C(=O)NC(=S)N(c2ccc(F)cc2)C1=O	2301591	MLFKNVQNCWMUGZ-FMIVXFBMSA-N	336.392	0.609	10	40	ECCB	
COc1ccc(N2CCCN(CC(=O)N3CCNC(=O)C3)CC2)cc1	65520298	ZFRHCYNHDMVOOS-UHFFFAOYSA-N	346.431	0.166	10	40	ECCB	
NC(=O)[C@@H]1CCN(C(=O)NCc2ccc(N3CCOCC3)cc2)C1	54787288	SFDPQORNIMODLZ-CQSZACIVSA-N	332.404	0.540	10	40	ECCB	
O=C(O)Cn1cc(C=C2C(=O)NC(=S)NC2=O)c2ccccc21	4641504	VWFZFMZOXJEWAC-UHFFFAOYSA-N	329.337	0.640	10	40	ECCB	
[N-]=[N+]=N[C@@H]1[C@H](Oc2ccc([N+](=O)[O-])cc2)O[C@@H](CO)[C@@H](O)[C@H]1O	33875506	KTWQZFHYGZLIJI-HHHUOAJASA-N	326.265	0.092	10	40	ECCB	
CC[C@@H](C)N1C(=O)/C(=C/NN2CCN(C)CC2)C(O)=NC1=S	20333007	LVENRHSKQIBCMG-OYVNLZQHSA-N	325.438	0.504	10	40	ECCB	
Cc1cccc(N2C(=O)/C(=C/NN3CCOCC3)C(=O)N=C2O)c1	8970580	WQIDRESWCBWJAW-JLHYYAGUSA-N	330.344	0.503	10	40	ECCB	
[N-]=[N+]=N[C@@H]1[C@H](O)[C@H](O)[C@H](CO)O[C@@H]1Oc1ccc([N+](=O)[O-])cc1	33875500	KTWQZFHYGZLIJI-KNZXXDILSA-N	326.265	0.092	10	40	ECCB	
CN(C)CCNC(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C	5340224	ACPRMGJSKASSHQ-INIZCTEOSA-N	349.479	0.149	10	40	ECCB	
CN1CCN(N/C=C2/C(=O)N(c3ccccc3)C(=S)N=C2O)CC1	17194877	OCCYNZVWFSXPPP-ACCUITESSA-N	345.428	0.911	10	40	ECCB	
O=S1(=O)CC[C@@H](Nc2ccccc2N[C@@H]2CCS(=O)(=O)C2)C1	40177513	GNLQZQOKKUXNFV-VXGBXAGGSA-N	344.458	0.885	10	40	ECCB	
CN(C)CCN/C=C1/C(=O)NC(=O)N(CCc2ccccc2)C1=O	2304147	QIAQCHHKVHDZCV-OWBHPGMISA-N	330.388	0.343	10	40	ECCB	
CN1C(=O)C(=Cc2ccc(OCC(N)=O)cc2)C(=O)N(C)C1=S	408965828	MJZZMIXQQJPDEU-UHFFFAOYSA-N	333.369	0.149	10	40	ECCB	
[N-]=[N+]=N[C@@H]1[C@H](Oc2ccc([N+](=O)[O-])cc2)O[C@H](CO)[C@@H](O)[C@@H]1O	22064791	KTWQZFHYGZLIJI-IYKVGLELSA-N	326.265	0.092	10	40	ECCB	
COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)NCCO	4736906	GGQUYSYXYKJRNO-WJDWOHSUSA-N	347.371	0.817	10	40	ECCB	
COc1ccc(N2CCN(S(C)(=O)=O)[C@@H](C(=O)N(C)C)C2)cc1	72361496	VLECCSHUQVPEAY-CQSZACIVSA-N	341.433	0.234	10	40	ECCB	
Nc1nc(N)c2c(n1)O[C@]1(COCCN(Cc3ccccc3O)C1)C2	257279655	OHPILFCNILODDO-QGZVFWFLSA-N	343.387	0.553	10	40	ECCB	
O=C1N=C(S)N(Cc2ccc(F)cc2)C(=O)/C1=C\NCCCO	103099056	PNTDXGHMNIHDJH-WQLSENKSSA-N	337.376	0.836	10	40	ECCB	
COc1cccc(N2C(=O)/C(=C\NCCN(C)C)C(=O)N=C2S)c1	102717960	QZEJQESZFOCULQ-RAXLEYEMSA-N	348.428	0.889	10	40	ECCB	
O=C1CN(c2ccc(CNC(=O)NC[C@@H]3CCCO3)cc2)CCN1	44945787	XBOHIBIYPJIXOP-HNNXBMFYSA-N	332.404	0.601	10	40	ECCB	
CCNS(=O)(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1	71914597	ARFTZKNZFVEXGC-UHFFFAOYSA-N	344.456	0.912	10	40	ECCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(C)C2=O)cc([N+](=O)[O-])c1O	13126825	JYRRXPCYOSXJHO-XBXARRHUSA-N	335.272	0.791	10	40	ECCB	
CN1C(=O)/C(=C/NN2CCOCC2)C(=O)N(c2ccccc2)C1=S	520070	ZKBORTFIGBHIOU-QBFSEMIESA-N	346.412	0.497	10	40	ECCB	
COCCN1C(=O)/C(=C\Nc2nc(C)cc(C)n2)C(=O)NC1=S	6934705	IOTOTTFGDHWSJF-YFHOEESVSA-N	335.389	0.279	10	40	ECCB	
O=S1(=O)N[C@@H]2CN(Cc3ccccc3O)C[C@@H]2Oc2ncccc21	514289561	LDHBHESZNGIKLU-OCCSQVGLSA-N	347.396	0.711	10	40	ECCB	biogenic,in-vitro
COc1cc(N2Cc3ncn(C)c3[C@H](C(=O)NCC3CC3)C2)ncn1	248050638	RAYWNGQVMUDHOV-GFCCVEGCSA-N	342.403	0.849	10	40	ECCB	
C[C@H]1CN(C(=O)NCc2ccc(N3CCNC(=O)C3)cc2)CCO1	46984419	JXOKBHFTGKCZAV-ZDUSSCGKSA-N	332.404	0.553	10	40	ECCB	
COC(=O)[C@]1(C)N[C@H](c2ccc(N(C)C)cc2)[C@@H]2C(=O)N(C)C(=O)[C@H]21	245230646	VSRPPMMZWAVKTF-KYZVSKTDSA-N	345.399	0.560	10	40	ECCB	
CC(=O)OC[C@@H]1O[C@@H](n2ccc(-n3cncn3)nc2=O)C[C@@H]1N=[N+]=[N-]	5663878	SGSTZVCBHMEELE-JBLDHEPKSA-N	346.307	0.354	10	40	ECCB	
COCCCN1C(=O)NC(=O)/C(=C\Nc2cccc3nonc23)C1=O	17113210	PLSLNPUFGURLMD-CMDGGOBGSA-N	345.315	0.634	10	40	ECCB	
CN(C)CCNC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C	5340228	ACPRMGJSKASSHQ-MRXNPFEDSA-N	349.479	0.149	10	40	ECCB	
CC[C@H](C)N1C(=O)/C(=C/NN2CCN(C)CC2)C(O)=NC1=S	20333011	LVENRHSKQIBCMG-SPQRFVMMSA-N	325.438	0.504	10	40	ECCB	
C[C@@H](C(=O)N(C)Cc1ccc(N2CCOCC2)cc1)S(C)(=O)=O	40540864	CAQSRCJUFMHHJQ-ZDUSSCGKSA-N	340.445	0.915	10	40	ECCB	
COc1ccc(N2CCN(CCNS(=O)(=O)C3CC3)CC2)cc1	38588639	UCHKATKDMBWZKU-UHFFFAOYSA-N	339.461	0.899	10	40	ECCB	
O=C1NC(=O)C(=Cc2cccn2-c2cccc(C(=O)O)c2)C(=O)N1	4674671	USVBPJNYZREEAA-UHFFFAOYSA-N	325.280	0.925	10	40	ECCB	
O=C1NC(=S)N(C2CC2)C(=O)/C1=C\NCc1ccc2c(c1)OCO2	2589468	VKSKXBMKYKERPF-XFFZJAGNSA-N	345.380	0.795	10	40	ECCB	
O=C1CN(c2ccc(CNC(=O)NC[C@H]3CCOC3)cc2)CCN1	41405100	NHEANLRMMAHMGF-CQSZACIVSA-N	332.404	0.459	10	40	ECCB	
C[C@@H]1CN(C(=O)NCc2ccc(N3CCNC(=O)C3)cc2)CCO1	46984418	JXOKBHFTGKCZAV-CYBMUJFWSA-N	332.404	0.553	10	40	ECCB	
CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc([N+](=O)[O-])c1O	59392128	MWPWPBWILKJPEJ-UHFFFAOYSA-N	337.313	0.613	10	40	ECCB	
CN1C(=O)C(=CN[C@H]2C(=O)[C@]3(C)CC[C@@H]2C3(C)C)C(=O)N(C)C1=O	101222990	UULMCFPTNUQDHR-RVPKQNPDSA-N	333.388	0.904	10	40	ECCB	
O=C1NC(=S)N(C2CC2)C(=O)/C1=C/NCc1ccc2c(c1)OCO2	101067571	VKSKXBMKYKERPF-YRNVUSSQSA-N	345.380	0.795	10	40	ECCB	
Cc1cc(O)c(CN2CCN(S(=O)(=O)N(C)C)CC2)cc1C	26648295	FXGGYLVGPIYHBZ-UHFFFAOYSA-N	327.450	0.933	10	40	ECCB	
CCN1C(=O)/C(=C/c2ccc(N3CCOCC3)o2)C(=O)NC1=S	409393725	ZLCXFDJNDINRHI-PKNBQFBNSA-N	335.385	0.763	10	40	ECCB	
O=C(N[C@@H]1CCCC[C@@H](O)[C@@H]1O)C1=NN(c2ccccc2)C(=O)C1	585267194	IAYOUDIUVYYNDA-XNRPHZJLSA-N	331.372	0.560	10	40	ECCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/NNc1nc(=O)c(C)n[nH]1	18085829	QXFKEPHBURJYFT-XYOKQWHBSA-N	325.332	0.696	10	40	ECCB	
O=C1N=C(O)/C(=C/NN2CCOCC2)C(=O)N1c1ccccc1F	19994851	APTFQLFGHOZQGW-KTKRTIGZSA-N	334.307	0.970	10	40	ECCB	
CS(=O)(=O)N1CCCN(Cc2cc3c(cc2O)OCO3)CC1	12984004	YJVZHKDGVRSONE-UHFFFAOYSA-N	328.390	0.588	10	40	ECCB	
COCc1cn(C[C@H]2OC[C@H](O)[C@H]2NCc2ccccc2O)nn1	1549159185	HWAPJMGQUNGYMQ-ARFHVFGLSA-N	334.376	0.048	10	40	ECCB	
CN(C)c1ccc(CNC(=O)CN2CCS(=O)(=O)CC2)cc1F	58734023	MKSBPMJEFZVGEU-UHFFFAOYSA-N	343.424	0.238	10	40	ECCB	
CN(C)S(=O)(=O)N1CCN(Cc2cc3c(cc2O)OCO3)CC1	26648319	SIFPWGCDAIOAGF-UHFFFAOYSA-N	343.405	0.045	10	40	ECCB	
CN(C)CCN/C=C1\C(=O)NC(=S)N(c2ccccc2F)C1=O	2208797	PYIYDSFPMURVFK-MDZDMXLPSA-N	336.392	0.609	10	40	ECCB	
COc1ccc(N2CCN(S(=O)(=O)N3CCOCC3)CC2)cc1	8844791	GJNJOTQLGLYIFA-UHFFFAOYSA-N	341.433	0.394	10	40	ECCB	
COc1cc(N2CCOCC2)ccc1[C@@H]1CC(=O)N=C2N=CNN21	409376188	VQQLFYKUTOYNPA-ZDUSSCGKSA-N	329.360	0.708	10	40	ECCB	
COc1ccccc1N1C(=O)NC(=O)/C(=C\NCCN(C)C)C1=O	100786299	PBXNCUWJANCLDS-ZHACJKMWSA-N	332.360	0.313	10	40	ECCB	
CC(C)N1C(=O)[C@H]2[C@@H](c3ccccc3O)N[C@@](C)(C(=O)O)[C@@H]2C1=O	4597946	PYLBGKORTKMTSH-IPJQOSJUSA-N	332.356	0.889	10	40	ECCB	
CN1C(=O)C(=CN[C@@H]2C(=O)[C@@]3(C)CC[C@@H]2C3(C)C)C(=O)N(C)C1=O	36383977	UULMCFPTNUQDHR-PSVSLLHZSA-N	333.388	0.904	10	40	ECCB	
CN(C)CCCN/C=C1\C(=O)NC(=S)N(c2ccccc2)C1=O	2333161	VZZUOVVMFXAVAL-ACCUITESSA-N	332.429	0.860	10	40	ECCB	
O=C1c2ccccc2C(=O)c2c(O)c(S(=O)(=O)O)c(O)c(O)c21	34064982	DURBTILWOVXSNP-UHFFFAOYSA-N	336.277	0.826	10	40	ECCB	
COC(=O)Cc1csc(NC=C2C(=O)N(C)C(=O)N(C)C2=O)n1	8511910	DOBNWIDTMYWDKD-UHFFFAOYSA-N	338.345	0.205	10	40	ECCB	
O=C1NC(=O)C(=CN[C@H](Cc2c[nH]c3ccccc23)C(=O)O)C(=O)N1	20572480	MWTHXJKIZFXYKV-GFCCVEGCSA-N	342.311	0.003	10	40	ECCB	
Cn1nc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)ccc1=O	55522524	GQPHAMPDAOTOEH-UHFFFAOYSA-N	346.362	0.686	10	40	ECCB	
O=C1NC(=S)NC(=O)C1=CNc1ccc(Br)cn1	13235726	VTTWHVTUNVCFBA-UHFFFAOYSA-N	327.163	0.671	10	40	ECCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\NN3CCOCC3)C2=O)cc1C	5118914	VSVXRWYWRKJRTM-GXDHUFHOSA-N	344.371	0.607	10	40	ECCB	
COc1ccc(N2CCN(C(=O)CN3CCN(C)C[C@H]3C)CC2)cc1	89938924	UCRTYODXRDYNOA-MRXNPFEDSA-N	346.475	0.980	10	40	ECCB	
CCCCN1C(=O)/C(=C/NCCN2CCCCC2)C(=O)NC1=S	20024047	XEHOPOPKLUVJMG-OUKQBFOZSA-N	338.477	0.989	10	40	ECCB	
CCN1C(=O)C(=CNCCCn2ccnc2)C(=O)N(CC)C1=S	19997052	XUDOXNZPFBBEMQ-UHFFFAOYSA-N	335.433	0.742	10	40	ECCB	
CCc1ccccc1N1C(=O)NC(=O)/C(=C\Nc2nc[nH]n2)C1=O	408527930	GTAIRTYMWILZOE-JXMROGBWSA-N	326.316	0.946	10	40	ECCB	
CCN(CC)CCNC=C1C(=O)N(CC)C(=S)N(CC)C1=O	20023386	JENLVSVRPRTKFC-UHFFFAOYSA-N	326.466	0.797	10	40	ECCB	
CC(C)c1ccc(N2C(=O)NC(=O)/C(=C\NNCCO)C2=O)cc1	6263192	BIHQMTGQHDTFLD-UKTHLTGXSA-N	332.360	0.363	10	40	ECCB	
Cc1cc(C)c(N2C(=O)NC(=O)/C(=C\NNC(N)=S)C2=O)c(C)c1	408528469	GCVFWNUPWOFQQZ-UXBLZVDNSA-N	347.400	0.416	10	40	ECCB	
COC(=O)[C@]1(C)N[C@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(C)C(=O)[C@@H]21	19460569	VSRPPMMZWAVKTF-HNSFDTNUSA-N	345.399	0.560	10	40	ECCB	
COc1ccc2c(c1)CCCN2CC(=O)N[C@@H]1CCS(=O)(=O)C1	27579436	QTKRFYCMXQFSQK-CYBMUJFWSA-N	338.429	0.751	10	40	ECCB	
COc1ccc(N2C(=O)NC(=O)/C(=C\NCCCN(C)C)C2=O)cc1	2309184	GFOSHDKLOAXJPF-SDNWHVSQSA-N	346.387	0.703	10	40	ECCB	
COC(=O)CN/C(C)=C1\C(=O)N(c2ccccc2)N=C1CC(=O)OC	12862013	ZBDIVBAAHBCRQS-WJDWOHSUSA-N	345.355	0.989	10	40	ECCB	
O=C(O)COc1ccc(Cl)cc1C=C1C(=O)NC(=S)NC1=O	476146	ZMKSATNXFQTDLX-UHFFFAOYSA-N	340.744	0.718	10	40	ECCB	
COc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)ccc1OCCO	2061496	SFNBSGLWAKUMJQ-UHFFFAOYSA-N	334.328	0.500	10	40	ECCB	
O=C1NC(=O)C(=CNC2CCN(Cc3ccccc3)CC2)C(=O)N1	100778166	LPRFSNUUXQBXCE-UHFFFAOYSA-N	328.372	0.491	10	40	ECCB	
CNC(=O)[C@@H]1CN(c2ccc(OC)cc2)CCN1c1ncccn1	72361525	KIVFEKMWCVWLEE-HNNXBMFYSA-N	327.388	0.926	10	40	ECCB	
COc1c(C=C2C(=O)NC(=O)NC2=O)cc([N+](=O)[O-])cc1[N+](=O)[O-]	408718448	YCIXSJDCOGFILY-UHFFFAOYSA-N	336.216	0.261	10	40	ECCB	
O=C1NC(=S)NC(=O)C1=CNCc1noc(-c2ccccc2)n1	20623765	YJULNUWOKNLWLJ-UHFFFAOYSA-N	329.341	0.241	10	40	ECCB	
COCC1=NNC(=O)/C1=C/Nc1ccc(S(=O)(=O)N(C)C)cc1	13395710	MPUMXOSQGORUEN-XYOKQWHBSA-N	338.389	0.365	10	40	ECCB	
Cn1cc(C(=O)NCc2ccc(N3CCNC(=O)C3)c(F)c2)cn1	95396545	UJEHYHNQROQOSG-UHFFFAOYSA-N	331.351	0.425	10	40	ECCB	
COc1ccc(N2CCN(C(=O)CN3CCN(C)C[C@@H]3C)CC2)cc1	89938926	UCRTYODXRDYNOA-INIZCTEOSA-N	346.475	0.980	10	40	ECCB	
O=S(=O)(CCNCc1ccc2c(c1)CCO2)N1CCOCC1	71857599	CXGCREPKVCSAID-UHFFFAOYSA-N	326.418	0.373	10	40	ECCB	
CCCCCCN1C(=O)/C(=C\NN2CCN(C)CC2)C(=O)N=C1O	36496242	PJDHEOQLXWXISM-SEYXRHQNSA-N	337.424	0.485	10	40	ECCB	
COc1ccc(N2CCN(C(=O)CCN3C(=O)CCC3=O)CC2)cc1	8139009	BQJRSGGWTJGYDE-UHFFFAOYSA-N	345.399	0.883	10	40	ECCB	
CN1C(=O)N/C(=C/c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)C1=O	409192940	GIRYETJRSPHAIR-DHZHZOJOSA-N	332.316	0.954	10	40	ECCB	
CN(C)CCN/C=C1/C(=O)NC(=O)N(CCc2ccc(F)cc2)C1=O	102641304	OSXYIESEHVAWDD-KAMYIIQDSA-N	348.378	0.482	10	40	ECCB	
CCOC(=O)COc1ccc(C=C2C(=O)NC(=S)NC2=O)cc1	408988599	IMOAEQILCRBOSM-UHFFFAOYSA-N	334.353	0.543	10	40	ECCB	
COc1ccc(N2N=C(C)/C(=C/c3c(O)[nH]c(=O)[nH]c3=O)C2=O)cc1	100947781	QBXJXKSRJGYQBH-XFFZJAGNSA-N	342.311	0.584	10	40	ECCB	
COc1ccccc1N1C(=O)/C(=C\NNC(=N)N)C(O)=NC1=S	38169202	URALTQRDXNUSIH-SREVYHEPSA-N	334.361	0.155	10	40	ECCB	
COc1ccc(N2CCN(C(=O)Cn3nc(C)ccc3=O)CC2)cc1	44394605	GRJIDJRSHGAHKW-UHFFFAOYSA-N	342.399	0.909	10	40	ECCB	
COC(=O)[C@@]1(C)N[C@@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(C)C(=O)[C@H]21	19460564	VSRPPMMZWAVKTF-NUXNZHGMSA-N	345.399	0.560	10	40	ECCB	
COc1ccc(-n2nnnc2CN2CCN(C(=O)C3CC3)CC2)cc1	23134828	DUFKGHUFYMKBLE-UHFFFAOYSA-N	342.403	0.725	10	40	ECCB	
NC(=O)[C@H]1CCN(C(=O)NCc2ccc(N3CCOCC3)cc2)C1	54787287	SFDPQORNIMODLZ-AWEZNQCLSA-N	332.404	0.540	10	40	ECCB	
COc1ccc(N2CCN(C(=O)c3ccc(=O)n(C)n3)CC2)cc1	12069943	LVGGANUDVVXRGO-UHFFFAOYSA-N	328.372	0.751	10	40	ECCB	
O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\NCCN1CCOCC1	20024237	GKFKMUNACXHYAG-OWBHPGMISA-N	344.371	0.075	10	40	ECCB	
CO[C@H]1C=C[C@](CNC(=O)c2ccc(-n3cccn3)nn2)(OC)O1	75163879	HXLUEKPWSFFEDW-HIFRSBDPSA-N	331.332	0.294	10	40	ECCB	
COc1cccc(N2C(=O)/C(=C/N3CCOCC3)C(=O)NC2=S)c1	105964450	QJINCPNFVSZMKM-JLHYYAGUSA-N	347.396	0.659	10	40	ECCB	
C[C@@H](C(=O)NCc1ccc(N2CCNC(=O)C2)cc1)n1cncn1	31421764	DKKAUDPBMQBNCZ-LBPRGKRZSA-N	328.376	0.092	10	40	ECCB	
COc1ccc(N2CCN[C@H](C(=O)NCCN3CCCC3=O)C2)cc1	257330245	XNOFBMKYTTYOKT-INIZCTEOSA-N	346.431	0.212	10	40	ECCB	
CCOC(=O)COc1ccccc1C=C1C(=O)NC(=S)NC1=O	176397	WPHDBUWWUWWFGY-UHFFFAOYSA-N	334.353	0.543	10	40	ECCB	
CN1CCN(N/C=C2\C(=O)N(c3ccccc3F)C(=O)N=C2O)CC1	2445557	IBIVDVMLVFAWRI-KHPPLWFESA-N	347.350	0.885	10	40	ECCB	
CCN1C(=O)C(=CNCCCC(=O)OC)C(=O)N(CC)C1=S	25561708	BORACULXJCYOOM-UHFFFAOYSA-N	327.406	0.409	10	40	ECCB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(C)C2=O)cc([N+](=O)[O-])c1O	96302109	JYRRXPCYOSXJHO-YWEYNIOJSA-N	335.272	0.791	10	40	ECCB	
Cn1nc(CC(=O)NN2C(=O)CSC2=S)c2ccccc2c1=O	6219119	ZJRRSKLUAMYAKD-UHFFFAOYSA-N	348.409	0.368	10	40	ECCB	
CC(=O)N[C@@H]1[C@@H](OCc2ccccc2)O[C@@H](CN=[N+]=[N-])[C@@H](O)[C@H]1O	4530813	MDBICQUTHZWLGW-RMEBNNNOSA-N	336.348	0.465	10	40	ECCB	
CC(=O)OC[C@H]1O[C@@H](n2ccc(-n3cncn3)nc2=O)C[C@H]1N=[N+]=[N-]	5663870	SGSTZVCBHMEELE-CKYFFXLPSA-N	346.307	0.354	10	40	ECCB	
NC(=O)C(=CN1C(=O)/C(=C/c2ccccc2O)SC1=S)C(N)=O	1637335	LQUDYGWWRNEQEP-YHYXMXQVSA-N	349.393	0.448	10	40	ECCB	
COc1ccc(N2CCN(C(=O)CN(CC(N)=O)C(C)C)CC2)cc1	8532773	WPUHRKTVAPBLSB-UHFFFAOYSA-N	348.447	0.540	10	40	ECCB	
O=C1CN(c2ccc(CNC(=O)NC[C@H]3CCCO3)cc2)CCN1	44945794	XBOHIBIYPJIXOP-OAHLLOKOSA-N	332.404	0.601	10	40	ECCB	
CN1C(=O)C(=CNCCc2c[nH]c3ccc(O)cc23)C(=O)N(C)C1=O	6090747	ISWKYDMFZRPTMT-UHFFFAOYSA-N	342.355	0.940	10	40	ECCB	biogenic
Nc1nonc1/N=N/N(CC(=O)N1CCCCC1)c1nonc1N	59520318	PDGXNHITUUNNSW-XMHGGMMESA-N	336.316	0.135	10	40	ECCB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\N(C)CCO)C2=O)cc1	408535426	SQBQDELWOMZQDW-JLHYYAGUSA-N	333.344	0.476	10	40	ECCB	
COc1cccc(OCCNC=C2C(=O)N(C)C(=O)N(C)C2=O)c1	35185343	UFMAWLKJXXWPIL-UHFFFAOYSA-N	333.344	0.598	10	40	ECCB	
O=C1NC(=O)C(=Cc2ccc(OCC(=O)N3CCCC3)cc2)C(=O)N1	10038276	PTISZRSKWCSWCW-UHFFFAOYSA-N	343.339	0.437	10	40	ECCB	
COc1ccc(N2CCN(C(=O)CC[C@@H]3NC(=O)NC3=O)CC2)cc1	8028638	QIKHNUORULICMT-AWEZNQCLSA-N	346.387	0.332	10	40	ECCB	
COc1ccc(N2CCN(S(C)(=O)=O)[C@H](C(=O)N(C)C)C2)cc1	72361495	VLECCSHUQVPEAY-AWEZNQCLSA-N	341.433	0.234	10	40	ECCB	
CCCNC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCN2C)N(C)C	8963853	CIYCPDCHJBTAQE-INIZCTEOSA-N	332.448	0.924	10	40	ECCB	
CN(C)CCN/C=C1/C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O	102413107	AKNAYTYXPRZCNJ-XFXZXTDPSA-N	336.779	0.958	10	40	ECCB	
COc1ccc(N2CCN(C(=O)CC[C@H]3NC(=O)NC3=O)CC2)cc1	8028634	QIKHNUORULICMT-CQSZACIVSA-N	346.387	0.332	10	40	ECCB	
Cn1c2c(c(=O)n(C)c1=O)CN(c1ccc3c(c1)OCCO3)CN2	477791	PDMHRHJECMGGKB-UHFFFAOYSA-N	330.344	0.245	10	40	ECCB	
CN1C(=O)C(=Cc2ccc(OCCC(=O)O)cc2)C(=O)N(C)C1=O	44012887	UXCWWDKSDRTIEE-UHFFFAOYSA-N	332.312	0.974	10	40	ECCB	
CC1=NN(C(N)=S)C(=O)[C@@H]1/N=N/c1ccc(S(N)(=O)=O)cc1	100524834	GFLQGDFQSKXCKU-ASLCJXLESA-N	340.390	0.248	10	40	ECCB	
CCNC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCCN2C)N(C)C	13008704	HMTMNTGOAQJGMM-INIZCTEOSA-N	332.448	0.924	10	40	ECCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\N(CCO)CCO)C2=O)c(C)c1	408536941	YKGAYOXHUJLDCW-JLHYYAGUSA-N	347.371	0.057	10	40	ECCB	
CN1C(=O)/C(=C\NN2CCOCC2)C(=O)N(c2ccccc2)C1=S	13126323	ZKBORTFIGBHIOU-ACCUITESSA-N	346.412	0.497	10	40	ECCB	
COc1ccc(-n2nnnc2CN2CCN(C(=O)C(C)C)CC2)cc1	23233345	FKBPMJQBGOKVGX-UHFFFAOYSA-N	344.419	0.971	10	40	ECCB	
COCCN1C(=O)C[C@H](N2CCN(c3ccc(OC)cc3)CC2)C1=O	24572603	QLIVEKHVYLZDLM-INIZCTEOSA-N	347.415	0.591	10	40	ECCB	
COc1ccc(N2CCN(C(=O)CSc3nnnn3C)CC2)cc1	4807804	HDDOTAIMXYAJFQ-UHFFFAOYSA-N	348.432	0.660	10	40	ECCB	
CCOC(=O)CNC(=O)C(=[N+]=[N-])C(=O)CCOc1ccccc1OC	4934728	ROHXCWDRJRLMJW-UHFFFAOYSA-N	349.343	0.383	10	40	ECCB	
O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C\N1CCOCC1	105983145	WJANLADZEDWJLO-XFXZXTDPSA-N	335.360	0.790	10	40	ECCB	
COc1c(OC(C)=O)ccc(C=C2C(=O)NC(=O)NC2=O)c1[N+](=O)[O-]	408718357	UBDOZGVGALPRPZ-UHFFFAOYSA-N	349.255	0.278	10	40	ECCB	
COc1c(O)c(O)c(C)c2c1OC(=O)[C@@]2(C)NC(=O)/C=C/C(=O)O	1772592113	ZWIHLCKHOMJFNY-RGDDUWESSA-N	337.284	0.306	10	40	ECCB	
O=C1/C(=C/NNCCO)C(O)=NC(=S)N1c1ccc(Cl)cc1	6926383	HHBNJDROOZOIDP-JXMROGBWSA-N	340.792	0.898	10	40	ECCB	
CN1C(=O)C(=CNCc2ccc3c(c2)OCO3)C(=O)N(C)C1=S	20506719	FLOOWABLFSDAQD-UHFFFAOYSA-N	333.369	0.604	10	40	ECCB	
COc1ccc(N2CCN(c3cc(C)ncn3)[C@@H](C(N)=O)C2)cc1	72383473	JTHAFIYQBAEAGH-OAHLLOKOSA-N	327.388	0.974	10	40	ECCB	
C[C@@H](O)[C@@H](O)c1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1C2=O	31163880	BMKQPAJRQUUYGC-NPMWZIQKSA-N	330.292	0.993	10	40	ECCB	biogenic,in-vitro
[N-]=[N+]=N[C@H]1[C@H](O)[C@H](O)[C@H](CO)O[C@@H]1Oc1ccc([N+](=O)[O-])cc1	33875504	KTWQZFHYGZLIJI-SVNGYHJRSA-N	326.265	0.092	10	40	ECCB	
C/C=C\C(=O)N1CCN(Cc2nnnn2-c2ccc(OC)cc2)CC1	23134834	ZGNDQLGQUJNZJS-ARJAWSKDSA-N	342.403	0.891	10	40	ECCB	
CCN1C(=O)C(=CNCCN2CCCCC2)C(=O)N(CC)C1=S	19949048	BJVWIPXTJNWPMB-UHFFFAOYSA-N	338.477	0.941	10	40	ECCB	
COC[C@H]1CCCN1C[C@@H]1OC[C@H](NCc2ccccc2O)[C@H]1O	514289069	QRXDMSSJCXUHLI-MXSMSXNCSA-N	336.432	0.721	10	40	ECCB	biogenic,in-vitro
Cc1cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)ccc1N1CCOCC1	408593706	RBADJWLIUOXDCJ-UKTHLTGXSA-N	345.355	0.809	10	40	ECCB	
O=C1N=C(O)/C(=C/NN2CCOCC2)C(=O)N1c1ccc(F)cc1	9235214	PEZDTTHLWKDWGQ-XFXZXTDPSA-N	334.307	0.970	10	40	ECCB	
Cc1ccc(C)c(N2C(=O)NC(=O)/C(=C\N(CCO)CCO)C2=O)c1	408531384	NVHVEEQFXCGXJR-JLHYYAGUSA-N	347.371	0.057	10	40	ECCB	
CN(C)c1ccc(CNC(=O)Nc2cnn(CC(N)=O)c2)cc1F	58355569	FQMZKRTWXSZKKK-UHFFFAOYSA-N	334.355	0.895	10	40	ECCB	
O=S(=O)(NCc1ccc(O)cc1O)N1CCC2(CC1)OCCO2	585114493	FAWIAZDBTQUKQK-UHFFFAOYSA-N	344.389	0.271	10	40	ECCB	
Cc1cccc(N2C(=O)/C(=C/NCCN(C)C)C(=O)NC2=S)c1	20025450	ISGYOAOWVKLOEK-JLHYYAGUSA-N	332.429	0.778	10	40	ECCB	
COc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)ccc1OCC(=O)O	4189288	VFYDRTGMQQEQRO-UHFFFAOYSA-N	348.311	0.592	10	40	ECCB	
O=C1/C(=C/NN2CCOCC2)C(O)=NC(=S)N1c1ccccc1	509683	RGTQAXKFYQIHGS-ZRDIBKRKSA-N	332.385	0.995	10	40	ECCB	
CN(C)CCCN/C=C1\C(=O)NC(=O)N(Cc2ccc(F)cc2)C1=O	2195797	RVUDKJZDMOTXDC-GXDHUFHOSA-N	348.378	0.829	10	40	ECCB	
C[C@@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)N(C)Cc1ccccc1O	69737107	KIVPWNBGBPKAMV-JSGCOSHPSA-N	340.445	0.858	10	40	ECCB	
CC(=O)N1C[C@@H]2C[C@@H](O)CN2C2(CN(Cc3ccccc3O)C2)C1	514289517	NAJXUFYBZPNIAV-JKSUJKDBSA-N	331.416	0.244	10	40	ECCB	biogenic,in-vitro
COc1cccc(C=C2C(=O)NC(=O)NC2=O)c1O[C@H](C)C(=O)O	409232637	ATXWFZBOJJEINJ-SSDOTTSWSA-N	334.284	0.297	10	40	ECCB	
C[C@H](O)[C@@H](O)c1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1C2=O	31163884	BMKQPAJRQUUYGC-WDDATRMLSA-N	330.292	0.993	10	40	ECCB	biogenic,in-vitro
O=S(=O)(Nc1cccc(-n2cnnn2)c1)c1cccc2nonc12	61719134	LKAITDRMRQSYBR-UHFFFAOYSA-N	343.328	0.999	10	40	ECCB	
[N-]=[N+]=N[C@H]1[C@@H](Oc2ccc([N+](=O)[O-])cc2)O[C@H](CO)[C@H](O)[C@@H]1O	77311767	KTWQZFHYGZLIJI-ZIQFBCGOSA-N	326.265	0.092	10	40	ECCB	in-vitro
Cc1cc(=O)n2c(n1)NC(N1CCOCC1)=N[C@H]2c1ccccc1O	104279736	SUUOGRUISBCPBE-OAHLLOKOSA-N	341.371	0.918	10	40	ECCB	
C[C@H](Oc1ccccc1/C=C1\C(=O)NC(=S)N(C)C1=O)C(=O)O	409190460	NYLFPXQALKPYJA-VKHJRQFRSA-N	334.353	0.795	10	40	ECCB	
CN(C)CCCN/C=C1/C(=O)NC(=O)N(Cc2ccccc2)C1=O	102412429	KTJWSUYOAIJFRY-KAMYIIQDSA-N	330.388	0.690	10	40	ECCB	
CC(=O)N[C@H]1[C@@H](OCc2ccccc2)O[C@@H](CN=[N+]=[N-])[C@@H](O)[C@H]1O	4530812	MDBICQUTHZWLGW-QRTUWBSPSA-N	336.348	0.465	10	40	ECCB	
COc1cc(N2Cc3ncn(C)c3[C@@H](C(=O)NCC3CC3)C2)ncn1	248050642	RAYWNGQVMUDHOV-LBPRGKRZSA-N	342.403	0.849	10	40	ECCB	
O=C1CN(c2ccc(CNC(=O)NC[C@@H]3CCOC3)cc2)CCN1	41405096	NHEANLRMMAHMGF-AWEZNQCLSA-N	332.404	0.459	10	40	ECCB	
O=C(C[C@@H]1SC(=S)NC1=O)Nc1ccc(O)c(C(=O)O)c1	34926895	CTHNOJDGYHHRNI-QMMMGPOBSA-N	326.355	0.936	10	40	ECCB	
CN(C)c1ccc(CNC(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)cc1	25962230	WMHWGYZYUWPDNN-JXMROGBWSA-N	342.399	0.480	10	40	ECCB	
CCOC(=O)N1CCN(/C=C2\SC(NC(C)=O)=NC2=O)CC1	618254959	LAQIZHSWMKRIBK-NTMALXAHSA-N	326.378	0.367	10	40	ECCB	
O=C1CN(c2ccc(CNc3cn[nH]c(=O)c3Cl)cc2)CCN1	65412536	HHTHROGDKMYFAQ-UHFFFAOYSA-N	333.779	0.972	10	40	ECCB	
O=C1NC(=S)N(Cc2ccc(F)cc2)C(=O)/C1=C/NCCCO	5887760	PNTDXGHMNIHDJH-XYOKQWHBSA-N	337.376	0.425	10	40	ECCB	
COc1ccc(N2CCCN(C(=O)Cn3cccnc3=O)CC2)cc1	71821400	RINNLWYQXHOAIZ-UHFFFAOYSA-N	342.399	0.991	10	40	ECCB	
CN(C)c1ccc(CNC(=O)CN2CCS(=O)(=O)CC2)cc1	40527871	XGSZAQXPJRTCEQ-UHFFFAOYSA-N	325.434	0.099	10	40	ECCB	
COc1ccccc1N1C(=O)NC(=O)/C(=C/NCCN(C)C)C1=O	2301158	PBXNCUWJANCLDS-KHPPLWFESA-N	332.360	0.313	10	40	ECCB	
CN(C)/C=C1\SC(=S)N(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)C1=O	100326964	NNSTYYQFKPMQNE-ILHTVKSVSA-N	349.437	0.972	10	40	ECCB	
NC(=O)C(=CN1C(=O)/C(=C\c2cccc(O)c2)SC1=S)C(N)=O	1637313	XHEYSDKRFSHOIP-BJMVGYQFSA-N	349.393	0.448	10	40	ECCB	
Cc1c(C=C2C(=O)NC(=S)NC2=O)c(=O)n(-c2ccccc2)n1C	176398	PWJKLCDOAMMSBC-UHFFFAOYSA-N	342.380	0.399	10	40	ECCB	
COC(=O)COc1ccc(/C=C2\C(=O)NC(=S)N(C)C2=O)cc1	4676503	ZBSNTQFJKNCGQI-YRNVUSSQSA-N	334.353	0.495	10	40	ECCB	
COc1ccc(N2C(=O)/C(=C\NCCN(C)C)C(=O)N=C2S)cc1	102608021	JNNBXYMLJROHRQ-RAXLEYEMSA-N	348.428	0.889	10	40	ECCB	
Cc1cc(=O)n2c(n1)NC(N1CCOCC1)=N[C@@H]2c1ccccc1O	104279732	SUUOGRUISBCPBE-HNNXBMFYSA-N	341.371	0.918	10	40	ECCB	
COc1ccccc1N1C(=O)N=C(O)/C(=C\NN2CCOCC2)C1=O	9331256	XMEGWORBDLAYEH-ZHACJKMWSA-N	346.343	0.839	10	40	ECCB	
O=C1NC(=O)C(=Cc2cc([N+](=O)[O-])ccc2N2CCCC2)C(=O)N1	409008160	UTUFTCVFMZQISC-UHFFFAOYSA-N	330.300	0.944	10	40	ECCB	
COCCSCC(=O)NCc1ccc(N2CCNC(=O)C2)cc1	42078677	FHGYDWPNYFIXIK-UHFFFAOYSA-N	337.445	0.619	10	40	ECCB	
CC[C@H](C)N1C(=O)/C(=C/NCCCn2ccnc2)C(=O)NC1=S	20325500	VCPYPEKSZITYJJ-UTEVDWOZSA-N	335.433	0.789	10	40	ECCB	
O=C(O)[C@@H]1CN(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)CCO1	521366011	UKMOBSGMPYSKFC-GIZXNFQBSA-N	346.383	0.848	10	40	ECCB	
O=C1N=C(O)/C(=C\NN2CCOCC2)C(=O)N1Cc1ccccc1	34236300	XWJZKXVLAOADLT-JLHYYAGUSA-N	330.344	0.826	10	40	ECCB	
O=C1NN=C(C(F)(F)F)/C1=C/NNS(=O)(=O)c1ccccc1	100925926	IBMUIDXUMNVLNA-VURMDHGXSA-N	334.279	0.402	10	40	ECCB	
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)[C@H]3COCCO3)cc2)C1	55917251	NCKWNZVROBTZQQ-GOEBONIOSA-N	347.415	0.420	10	40	ECCB	
[N-]=[N+]=NC[C@@H]1O[C@@H](n2cnc3c(NC=O)ncnc32)C[C@H]1C(=O)O	4946652	NARKGZKOKBHIPW-GJMOJQLCSA-N	332.280	0.693	10	40	ECCB	
COc1cccc([C@@H]2N[C@](C)(C(=O)O)[C@@H]3C(=O)N(C)C(=O)[C@H]23)c1O	4693965	XDQGAOKGLVNKPO-YPIXOSSWSA-N	334.328	0.119	10	40	ECCB	biogenic,in-vitro
Cc1cccc(N2C(=O)NC(=O)/C(=C/NCCN(C)C)C2=O)c1C	101135544	IURVEHCAJIVSRS-RAXLEYEMSA-N	330.388	0.921	10	40	ECCB	
CN(Cc1ccc(N2CCCC2)cc1)C(=O)C[C@@H]1NC(=O)NC1=O	97597418	JTMKLOWUVIJEQK-AWEZNQCLSA-N	330.388	0.843	10	40	ECCB	
[N-]=[N+]=N[C@@H]1[C@H](Oc2ccc([N+](=O)[O-])cc2)O[C@H](CO)[C@H](O)[C@H]1O	102201931	KTWQZFHYGZLIJI-WTPMCQDGSA-N	326.265	0.092	10	40	ECCB	
C[C@H](NC(=O)NCc1ccc(N2CCNC(=O)C2)cc1)[C@H]1CCCO1	40520763	PNFYBJZLMCPUTB-XJKSGUPXSA-N	346.431	0.990	10	40	ECCB	
CN(C)CCN/C=C1\C(=O)NC(=O)N(Cc2ccc(F)cc2)C1=O	101039911	OSDHHJVZFHJAED-UKTHLTGXSA-N	334.351	0.439	10	40	ECCB	
NS(=O)(=O)c1ccc(NC(=O)C[C@@H]2SC(=S)NC2=O)cc1	34926883	QFJKLOZKXPHYLE-QMMMGPOBSA-N	345.427	0.179	10	40	ECCB	
NC(=S)NN/C=C1\C(=O)NC(=O)N(c2ccccc2Cl)C1=O	408537677	GUALPBLCSPRODS-AATRIKPKSA-N	339.764	0.145	10	40	ECCB	
CN1C(=O)NC(=O)/C(=C\NNc2ccc(Br)cc2)C1=O	408527167	CWRFKDXDCIRHSN-RMKNXTFCSA-N	339.149	0.958	10	40	ECCB	
COc1cccc(-n2c(C)cc(C(=O)NC(C(N)=O)C(N)=O)c2C)c1	46333251	NNCWHUFBDVXHLI-UHFFFAOYSA-N	344.371	0.172	10	40	ECCB	
COc1cccc(N2C(=O)NC(=O)/C(=C\NCCCN(C)C)C2=O)c1	2304961	AEHVAILRDTXEMP-SDNWHVSQSA-N	346.387	0.703	10	40	ECCB	
O=C1N=C(O)N(Cc2ccc(F)cc2)C(=O)/C1=C/NN1CCOCC1	6926325	VQWPWPGKNRMDCP-UKTHLTGXSA-N	348.334	0.329	10	40	ECCB	
O=C1N=C(S)NC(=O)/C1=C\NN1CCCC[C@@H]1c1cccnc1	487562	MPNFDVMQSWTRSX-GFCCVEGCSA-N	331.401	0.939	10	40	ECCB	biogenic
COc1ccc(N2CCCN(C(=O)C[C@H]3NC(=O)NC3=O)CC2)cc1	71821398	IRGYVCNDXWFDJD-CQSZACIVSA-N	346.387	0.332	10	40	ECCB	
CC(=O)N1C[C@@H]2CN(Cc3ccccc3O)CCN2[C@](C)(CO)C1	514288325	BYGYPBMKUWFKPT-WMZOPIPTSA-N	333.432	0.492	10	40	ECCB	biogenic,in-vitro
CN(C)CCN/C=C1\C(=O)NC(=O)N(CCc2ccc(F)cc2)C1=O	2252234	OSXYIESEHVAWDD-SDNWHVSQSA-N	348.378	0.482	10	40	ECCB	
CNC(=O)[C@H]1CN(c2ccc(OC)cc2)CCN1c1ncccn1	72361526	KIVFEKMWCVWLEE-OAHLLOKOSA-N	327.388	0.926	10	40	ECCB	
COc1ccc(CN2C(=O)NC(=O)/C(=C/NCCN(C)C)C2=O)cc1	101364017	ACUWPYCATFOIQR-UVTDQMKNSA-N	346.387	0.309	10	40	ECCB	
NC(=O)c1c(N)[n+]([O-])c2cc(N3CCCCCC3)c(F)cc2[n+]1[O-]	4745401	KYSKEOQCYZBDNJ-UHFFFAOYSA-N	335.339	0.307	10	40	ECCB	
COc1ccc(N2CCN[C@@H](C(=O)NCCn3ccnc3C)C2)cc1	257250774	JNXTUFAMIMRGOI-QGZVFWFLSA-N	343.431	0.795	10	40	ECCB	
CN(Cc1ccc(N2CCOCC2)cc1)c1ccc2nnnn2n1	40480471	AERRSWORJNKGKR-UHFFFAOYSA-N	325.376	0.992	10	40	ECCB	
COc1ccc(N(C)CC(=O)N[C@@H]2CCCCNC2=O)cc1OC	58356305	RZFBIPWHISGQMR-CYBMUJFWSA-N	335.404	0.925	10	40	ECCB	
O=C1NC(=S)NC(=O)C1=CNc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	60861228	PSMIWXWLCHVQPK-UHFFFAOYSA-N	337.273	0.330	10	40	ECCB	
COc1ccc(N2CCN(C(=O)CCN3CCNC(=O)C3)CC2)cc1	44849710	JOHOSLMWAOLBAO-UHFFFAOYSA-N	346.431	0.166	10	40	ECCB	
O=C1N=C(O)/C(=C\NN2CCOCC2)C(=O)N1c1ccc(F)cc1	34236587	PEZDTTHLWKDWGQ-FMIVXFBMSA-N	334.307	0.970	10	40	ECCB	
COc1ccc(N2C(=O)NC(=O)/C(=C\NCCN(C)C)C2=O)cc1	2288125	WWYQIAOXFPZWJE-JLHYYAGUSA-N	332.360	0.313	10	40	ECCB	
COc1cc(C=C2C(=O)NC(=S)NC2=O)cc2sc(=O)oc12	5720197	HVTKLOWEMMSBHN-UHFFFAOYSA-N	336.350	0.777	10	40	ECCB	
CN1C(=O)/C(=C/c2ccc(N3CCOCC3)c(F)c2)C(=O)NC1=S	409148924	UNEGHGXYIKHJHL-DHZHZOJOSA-N	349.387	0.919	10	40	ECCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\Nc3nc[nH]n3)C2=O)cc1C	408526283	BLVUPEIZXNGMGV-IZZDOVSWSA-N	326.316	1.000	10	40	ECCB	
CC[C@H](C)N1C(=O)/C(=C/NCCN(CC)CC)C(=O)NC1=S	20292761	CNCVRSWJSGHIIA-OCUQMRJBSA-N	326.466	0.844	10	40	ECCB	
Cn1ncc2c(NCc3ccc(N4CCNC(=O)C4)cc3)ncnc21	32923728	JXRYZVLOYAZDIO-UHFFFAOYSA-N	337.387	0.912	10	40	ECCB	
CN(C)c1ccc(CNC(=O)NC[C@@H]2CCS(=O)(=O)C2)cc1	46072351	VTFXXGVBSOPXDX-ZDUSSCGKSA-N	325.434	0.987	10	40	ECCB	
C[N+](C)(C)CCN/C=C1\C(=O)NC(=S)N(C2CCCCC2)C1=O	6025076	QOLLKLJYGLTWTF-UHFFFAOYSA-O	339.485	0.742	10	40	ECCB	
CCn1c(=O)cc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c1=O	4033794	CYTZOAXYNUCFCH-UHFFFAOYSA-N	330.388	0.892	10	40	ECCB	
COc1ccc(N2C(=O)NC(=O)/C(=C/NCCN(C)C)C2=O)cc1	95483782	WWYQIAOXFPZWJE-RAXLEYEMSA-N	332.360	0.313	10	40	ECCB	
CCS(=O)(=O)N1CCN(Cc2cc([N+](=O)[O-])ccc2O)CC1	69569411	DVTBMZQGAZJAEG-UHFFFAOYSA-N	329.378	0.768	10	40	ECCB	
CCOC(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1NCc1ccc(N)cc1	575421040	MPNGVUWWCLZQSB-QWHCGFSZSA-N	327.406	0.270	10	40	ECCB	
C[C@H](O)[C@H](O)c1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1C2=O	31163892	BMKQPAJRQUUYGC-XHLQUELWSA-N	330.292	0.993	10	40	ECCB	biogenic,in-vitro
O=C1NC(=O)C(=CNc2ccccc2NC(=O)C(F)(F)F)C(=O)N1	16450453	BOSIIXIKOAJYPZ-UHFFFAOYSA-N	342.233	0.849	10	40	ECCB	
COc1ccccc1N1C(=O)/C(=C\NCCN(C)C)C(=O)N=C1S	103108807	NIFBLHZEOIWKRD-KHPPLWFESA-N	348.428	0.889	10	40	ECCB	
COc1ccc(N2CCN[C@H](C(=O)N3CCC(CO)CC3)C2)cc1	257305369	SPRNTMBBCOMUFV-KRWDZBQOSA-N	333.432	0.704	10	40	ECCB	
COc1ccc(N2CCN[C@H](C(=O)NCCn3ccnc3C)C2)cc1	257250773	JNXTUFAMIMRGOI-KRWDZBQOSA-N	343.431	0.795	10	40	ECCB	
O=C1N=C(N2CCN(CCO)CC2)S/C1=C\c1ccccc1O	4679671	IGFDLRQFNXTZKU-KAMYIIQDSA-N	333.413	0.972	10	40	ECCB	
COc1ccc(N2CCN(c3cc(=O)n(C)c(=O)n3C)CC2)cc1	1385138	MFEULWQBFQLTMB-UHFFFAOYSA-N	330.388	0.419	10	40	ECCB	
C[C@@H](NC(=O)NCc1ccc(N2CCNC(=O)C2)cc1)[C@@H]1CCCO1	31122789	PNFYBJZLMCPUTB-CJNGLKHVSA-N	346.431	0.990	10	40	ECCB	
CN1C(=O)/C(=C/c2cn(CC(=O)O)c3ccccc23)C(=O)NC1=S	200153	WWQWYCMMFPGIBJ-IZZDOVSWSA-N	343.364	0.982	10	40	ECCB	
CN(C)S(=O)(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	56129855	BIBWTJTXSMYKDJ-ZDUSSCGKSA-N	340.449	0.284	10	40	ECCB	
O=C(/C=C/c1ccc(N2CCOCC2)cc1)N[C@H]1CCCNC1=O	75607292	XQCKYCFVEMBZOF-WHWKNOJMSA-N	329.400	0.931	10	40	ECCB	
O=C1NC(=O)C(=Cc2cccn2-c2ccc(C(=O)O)cc2)C(=O)N1	4739431	MQWYDCIBCVDOTQ-UHFFFAOYSA-N	325.280	0.925	10	40	ECCB	
O=C(NN1C(=O)CSC1=S)[C@H]1CC(=O)N(c2ccccc2)C1	6240821	QPAKJGPXMQTPMX-VIFPVBQESA-N	335.410	0.931	10	40	ECCB	
COc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)cc(OC)c1OC	4724062	LXHHAOQZEJOQEF-WEVVVXLNSA-N	336.369	0.969	10	40	ECCB	
Cc1cc(C(=O)N(CC(N)=O)CC(N)=O)c(C)n1-c1ccccc1F	65614193	WPJITZFHDQWIOG-UHFFFAOYSA-N	346.362	0.646	10	40	ECCB	
COCCNC(=O)CCNC(=O)NCc1ccc(N(C)C)c(F)c1	58265247	UHTCAGGMVFVDJP-UHFFFAOYSA-N	340.399	0.844	10	40	ECCB	
Oc1ccccc1CN[C@H]1CO[C@@H](CN2CCC(F)(F)C2)[C@@H]1O	514289156	WLAXFJNVCPAIKE-AEGPPILISA-N	328.359	0.951	10	40	ECCB	biogenic,in-vitro
COc1ccc(CN2C(=O)NC(=O)/C(=C\NCCN(C)C)C2=O)cc1	2307166	ACUWPYCATFOIQR-GXDHUFHOSA-N	346.387	0.309	10	40	ECCB	
Cc1ccc(N2C(=O)/C(=C/NCCN(C)C)C(=O)NC2=S)cc1	19997731	PCIPNQUNKHCIPP-JLHYYAGUSA-N	332.429	0.778	10	40	ECCB	
COc1ccc(N2CCN(C(=O)Cn3cccnc3=O)CC2)cc1	65402191	MCENLKJCKIOLRZ-UHFFFAOYSA-N	328.372	0.601	10	40	ECCB	
CCOC(=O)COc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1OC	3117723	RXHZJDJGASMLSZ-UHFFFAOYSA-N	348.311	0.387	10	40	ECCB	
COc1ccc(N(C)CC(=O)NCC(=O)N2CCCC2)cc1OC	58166283	IEXPOTMDHHZIKI-UHFFFAOYSA-N	335.404	0.879	10	40	ECCB	
CCCCN1C(=O)/C(=C/NNCCN(CC)CC)C(=O)N=C1O	20358105	OSRINXXLJALAMX-VAWYXSNFSA-N	325.413	0.389	10	40	ECCB	
CC(C)N1C(=O)[C@H]2[C@H](c3ccccc3O)N[C@@](C)(C(=O)O)[C@@H]2C1=O	4597945	PYLBGKORTKMTSH-ZOPJHEKZSA-N	332.356	0.889	10	40	ECCB	
C[C@H](C(=O)N(C)Cc1ccc(N2CCOCC2)cc1)S(C)(=O)=O	40540865	CAQSRCJUFMHHJQ-CYBMUJFWSA-N	340.445	0.915	10	40	ECCB	
O=C(O)CN1C(=O)N/C(=C/c2ccc(N3CCOCC3)cc2)C1=O	4934998	BTXAZVSYRHGFRT-UKTHLTGXSA-N	331.328	0.501	10	40	ECCB	
CCS(=O)(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	53669835	ZQVCEMLKDBRWTR-ZDUSSCGKSA-N	325.434	0.828	10	40	ECCB	
CCOC(=O)N[C@H]1CS(=O)(=O)C[C@@H]1NCc1ccc(N)cc1	575421041	MPNGVUWWCLZQSB-STQMWFEESA-N	327.406	0.270	10	40	ECCB	
COC(=O)[C@]1(C)N[C@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(C)C(=O)[C@H]21	245230647	VSRPPMMZWAVKTF-UYAYXHRUSA-N	345.399	0.560	10	40	ECCB	
NS(=O)(=O)c1ccc(NC(=O)C[C@H]2SC(=S)NC2=O)cc1	34926882	QFJKLOZKXPHYLE-MRVPVSSYSA-N	345.427	0.179	10	40	ECCB	
CN1C(=O)C(=Cc2ccc3c(c2)n(C)c(=O)n3C)C(=O)N(C)C1=O	3109044	FJXFTYUFSZHGDY-UHFFFAOYSA-N	328.328	0.311	10	40	ECCB	
COc1ccc(N2N=C(C)/C(=C\c3c(O)[nH]c(=O)[nH]c3=O)C2=O)cc1	16607580	QBXJXKSRJGYQBH-YRNVUSSQSA-N	342.311	0.584	10	40	ECCB	
CN1CCN([C@@H](CNS(C)(=O)=O)c2ccc(N(C)C)cc2)CC1	22589441	DLPOAWWFFIIXIT-INIZCTEOSA-N	340.493	0.590	10	40	ECCB	
O=C1NC(=O)C(=Cc2ccc(SCCO)c([N+](=O)[O-])c2)C(=O)N1	8377047	VFKJEAWUDQSVOJ-UHFFFAOYSA-N	337.313	0.429	10	40	ECCB	
O=C1N=C(O)/C(=C\NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(=O)N1	16385865	IAENTKCVCHTIGF-UHFFFAOYSA-N	336.220	0.510	10	40	ECCB	
CN(C)CCN/C=C1/C(=O)NC(=O)N(c2ccccc2Cl)C1=O	2237635	LENLIWSGGBAJAU-KTKRTIGZSA-N	336.779	0.958	10	40	ECCB	
COc1ccc(N2CCN(C(=O)Cn3ncccc3=O)CC2)cc1	38547218	RHAPWOJFNSBOGX-UHFFFAOYSA-N	328.372	0.601	10	40	ECCB	
CN1C(=O)C(=CNc2ccc(Cn3cncn3)cc2)C(=O)N(C)C1=O	9344248	AOIHWPSFLJMGKT-UHFFFAOYSA-N	340.343	0.673	10	40	ECCB	
Cn1ccc(C(=O)NCc2ccc(N3CCNC(=O)C3)cc2)cc1=O	40519950	NZTUIELHSRVPOL-UHFFFAOYSA-N	340.383	0.252	10	40	ECCB	
CN1C(=O)C(=CNCC2(CC(=O)O)CCCCC2)C(=O)N(C)C1=O	20624185	LISZSSIBNVJRJE-UHFFFAOYSA-N	337.376	0.936	10	40	ECCB	
Cc1cnc(C(=O)NCc2ccc(N3CCNC(=O)C3)cc2)cn1	40515608	ANFSQLKOXLXJFJ-UHFFFAOYSA-N	325.372	0.651	10	40	ECCB	
O=C1CN(c2ccc(CNC(=O)c3ccc[nH]c3=O)cc2)CCN1	31421666	YKQVZRJUGYCWEW-UHFFFAOYSA-N	326.356	0.241	10	40	ECCB	
Cc1c(/C=C2\C(=O)N=C(O)N(C)C2=O)c(=O)[nH]n1-c1ccccc1	13786218	KQOKCSKQHNPHCH-XYOKQWHBSA-N	326.312	0.770	10	40	ECCB	
CN(C)c1ccc(CNC(=O)N2CCCN(CC(N)=O)CC2)cc1	40555036	RACUUQKYQPYCSY-UHFFFAOYSA-N	333.436	0.455	10	40	ECCB	
CCOc1ccccc1N1C(=O)NC(=O)/C(=C\NCCN(C)C)C1=O	19997401	PUGJKFHDEGCKLF-VAWYXSNFSA-N	346.387	0.703	10	40	ECCB	
CN1C(=O)C(=CN[C@H]2C(=O)[C@@]3(C)CC[C@@H]2C3(C)C)C(=O)N(C)C1=O	8567592	UULMCFPTNUQDHR-WVQJBOLRSA-N	333.388	0.904	10	40	ECCB	
CN1C(=O)NC(=O)/C(=C/NN2CCCC[C@@H]2c2cccnc2)C1=O	12659101	ZIFUSARHMMUVJC-KXXVWKPMSA-N	329.360	0.705	10	40	ECCB	biogenic
CCN(CCO)c1ccc(N/C=C2\C(=O)NC(=S)N(C)C2=O)cc1	17783852	ZHPCJTWSSRYJIR-JLHYYAGUSA-N	348.428	0.674	10	40	ECCB	
C[C@H](Oc1ccc(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc1)C(=O)O	39557441	WUQUEQHTGPFCQS-VIFPVBQESA-N	332.312	0.972	10	40	ECCB	
CN1C(=O)NC(=O)/C(=C/NN2CCCC[C@H]2c2cccnc2)C1=O	12659104	ZIFUSARHMMUVJC-UKVQZPPCSA-N	329.360	0.705	10	40	ECCB	biogenic
NS(=O)(=O)c1ccc(/N=N\c2nc3c(O)nc(O)nc3[nH]2)cc1	100133150	WRIWGGIOJCHIRO-ZCXUNETKSA-N	335.305	0.827	10	40	ECCB	in-vitro
COc1ccc(N2CCN(Cc3cc(=O)n(C)c(=O)n3C)CC2)cc1	58229924	DKRDMHYGQFLLIB-UHFFFAOYSA-N	344.415	0.415	10	40	ECCB	
COCCCN1C(=O)/C(=C/N2CCC(C(N)=O)CC2)SC1=S	30819364	MIWTUMOKCOJIRT-LUAWRHEFSA-N	343.474	0.922	10	40	ECCB	
CC(=O)OC[C@@H]1O[C@@H](n2ccc(-n3cncn3)nc2=O)C[C@H]1N=[N+]=[N-]	5663872	SGSTZVCBHMEELE-JFGNBEQYSA-N	346.307	0.354	10	40	ECCB	
COc1ccc2c(c1)CCCN2CC(=O)N[C@H]1CCS(=O)(=O)C1	27579441	QTKRFYCMXQFSQK-ZDUSSCGKSA-N	338.429	0.751	10	40	ECCB	
COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)NCCO	4736907	YGLRYIWRRBJWGI-GDNBJRDFSA-N	335.335	0.947	10	40	ECCB	
CN(C)CCN/C=C1\C(=O)NC(=O)N(c2ccccc2Cl)C1=O	100768352	LENLIWSGGBAJAU-MDZDMXLPSA-N	336.779	0.958	10	40	ECCB	
CN(C)CCCN/C=C1/C(=O)NC(=O)N(CCc2ccccc2)C1=O	2365273	IWFRLNKPPPGCTA-SQFISAMPSA-N	344.415	0.733	10	40	ECCB	
CN1CCN(N/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)CC1	2351918	OCCYNZVWFSXPPP-QBFSEMIESA-N	345.428	0.070	10	40	ECCB	
O=C(O)CC1(CNC=C2C(=O)NC(=S)NC2=O)CCCCC1	95346294	AQZPCLSWZXVKDR-UHFFFAOYSA-N	325.390	0.416	10	40	ECCB	
CN1C(=O)C(=CN[C@H]2C(=O)[C@@]3(C)CC[C@H]2C3(C)C)C(=O)N(C)C1=O	101344076	UULMCFPTNUQDHR-CZIZLABSSA-N	333.388	0.904	10	40	ECCB	
COc1ccc(N2C(=O)N=C(O)/C(=C\NN3CCOCC3)C2=O)cc1	34236344	JVCASLKKQPJJTR-JLHYYAGUSA-N	346.343	0.839	10	40	ECCB	
C[N+](C)(C)CCN/C=C1\C(=O)NC(=O)N(CCc2ccccc2)C1=O	2429886	VYJVGRMTEYPMJI-UHFFFAOYSA-O	345.423	0.487	10	40	ECCB	
O=C(Cn1c(=O)sc2ccccc21)NN1C(=O)CSC1=S	32594723	ZIRGTOVLSYZBAF-UHFFFAOYSA-N	339.423	0.955	10	40	ECCB	
NS(=O)(=O)c1ccc(/N=N/c2nc3[nH]c(=O)[nH]c(O)c-3n2)cc1	18168478	WRIWGGIOJCHIRO-ISLYRVAYSA-N	335.305	0.366	10	40	ECCB	in-vitro
Nc1nc2[nH]c(/N=N\c3ccc(S(=O)(=O)O)cc3)nc2c(=O)[nH]1	17285079	WLZVIPJWGHVKJK-ZCXUNETKSA-N	335.305	0.891	10	40	ECCB	
Nc1nc2[nH]c(/N=N/c3ccc(S(=O)(=O)O)cc3)nc2c(=O)[nH]1	4430092	WLZVIPJWGHVKJK-ISLYRVAYSA-N	335.305	0.891	10	40	ECCB	biogenic
O=C(O)CN/C=C1/C(=O)NC(=O)N(c2cccc3ccccc23)C1=O	19596834	VPIRNMIKKPQBNH-WQLSENKSSA-N	339.307	0.981	10	40	ECCB	
[N-]=[N+]=NC[C@@H]1O[C@@H](n2cnc3c(NC=O)ncnc32)C[C@@H]1C(=O)O	4946650	NARKGZKOKBHIPW-BIIVOSGPSA-N	332.280	0.693	10	40	ECCB	
Cc1ccccc1N1C(=O)/C(=C/NN2CCOCC2)C(=O)NC1=S	9331427	SUOPUPVTLYUBDW-ZRDIBKRKSA-N	346.412	0.463	10	40	ECCB	
CN1C(=O)C(=CN[C@@H]2C(=O)[C@]3(C)CC[C@@H]2C3(C)C)C(=O)N(C)C1=O	101222996	UULMCFPTNUQDHR-DINDLPBHSA-N	333.388	0.904	10	40	ECCB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C/NCCN(C)C)C2=O)cc1	19996843	SGNNGHWTYVHGCJ-KAMYIIQDSA-N	346.387	0.703	10	40	ECCB	
COC(=O)[C@]1(C)N[C@@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(C)C(=O)[C@@H]21	100420138	VSRPPMMZWAVKTF-MOROJQBDSA-N	345.399	0.560	10	40	ECCB	
O=C(O)[C@H]1CN(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)CCO1	521366013	UKMOBSGMPYSKFC-WUTVXBCWSA-N	346.383	0.848	10	40	ECCB	
COc1ccc(OC)c(N2C(=O)NC(=O)/C(=C\NC3CC3)C2=O)c1	6090439	JNESSMVWFRAYGC-DHZHZOJOSA-N	331.328	0.923	10	40	ECCB	
NC(=O)COc1ccc(C=C2C(=O)NC(=S)NC2=O)cc1Cl	409222314	CEVREBJFGPPTRG-UHFFFAOYSA-N	339.760	0.118	10	40	ECCB	
CC[C@@H](C)N1C(=O)/C(=C\NN2CCN(C)CC2)C(O)=NC1=S	38160754	LVENRHSKQIBCMG-QLWWJYNRSA-N	325.438	0.504	10	40	ECCB	
CO[C@H]1O[C@H](CN=[N+]=[N-])[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O	96328090	RRMTXDYAGCJCDG-LBELIVKGSA-N	345.308	0.463	10	40	ECCB	
Cc1cnn([C@@H]2[C@@H](O)[C@H](NCc3ccccc3O)[C@H]3CO[C@@H]2O3)c1	952844891	RJJGFAJANFVFFF-OVYGPGRDSA-N	331.372	0.713	10	40	ECCB	biogenic,in-vitro
NC(=O)C1CCN(C(=O)NCc2ccc(N3CCOCC3)cc2)CC1	54786771	CROJDKXNJGTEPT-UHFFFAOYSA-N	346.431	0.930	10	40	ECCB	
COc1cccc(N2C(=O)/C(=C/NN3CCOCC3)C(=O)N=C2O)c1	17016754	PIOLBGRKGVJAKY-JLHYYAGUSA-N	346.343	0.203	10	40	ECCB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\NCCN(C)C)C2=O)cc1	100776052	SGNNGHWTYVHGCJ-SDNWHVSQSA-N	346.387	0.703	10	40	ECCB	
O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/NCCN1CCCCC1	100789532	XORHONPLTVMSPA-SDNWHVSQSA-N	346.387	0.817	10	40	ECCB	
O=C1NC(=O)C(=Cc2cc([N+](=O)[O-])ccc2N2CCOCC2)C(=O)N1	59305930	UWVAVYNSWCCNBT-UHFFFAOYSA-N	346.299	0.181	10	40	ECCB	
CCCCCCN1C(=O)NC(=O)/C(=C\NCC[N+](C)(C)C)C1=O	5929440	LHWDKMOLQHXDIE-UHFFFAOYSA-O	325.433	0.825	10	40	ECCB	
O=C1NC(=S)NC(=O)C1=Cc1ccc(I)o1	314456	SPTYIBTUVRDDRA-UHFFFAOYSA-N	348.121	0.799	10	40	ECCB	
CN1C(=O)NC(=O)/C(=C\c2ccc(I)o2)C1=O	229850	PIBVGTYAJWNQJI-GQCTYLIASA-N	346.080	0.976	10	40	ECCB	
COc1cc(/C=C2\SC(NC(C)=O)=NC2=O)ccc1OCC(N)=O	408532259	TWAOVFOLZOCYMD-SDQBBNPISA-N	349.368	0.666	10	40	ECCB	
CCN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCN(C)C(=O)C1	95942147	FOSHZQIWLLZJRU-UHFFFAOYSA-N	332.448	0.875	10	40	ECCB	
COc1ccc(N(CC(=O)O)CC(=O)N2CCC(C(N)=O)CC2)cc1	34926562	NZLQZNZZAYGKRY-UHFFFAOYSA-N	349.387	0.310	10	40	ECCB	
O=C(NC[C@H]1OC[C@@H](NCc2ccccc2O)[C@@H]1O)C1CCCC1	77264065	VUNPBNNYCOFATJ-OIISXLGYSA-N	334.416	0.917	10	40	ECCB	biogenic,in-vitro
CN(C)CCN/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2)C1=O	2284085	PHUYMFNXWBBWGT-FMIVXFBMSA-N	336.779	0.958	10	40	ECCB	
COc1ccc(N(CCC(N)=O)Cc2nc(N)nc(N(C)C)n2)cc1	32851076	LPBQYIVLKJCACX-UHFFFAOYSA-N	345.407	0.410	10	40	ECCB	
CO[C@@H]1C=C[C@@](CNC(=O)c2ccc(-n3cccn3)nn2)(OC)O1	75163873	HXLUEKPWSFFEDW-DZGCQCFKSA-N	331.332	0.294	10	40	ECCB	
CN(C)/C=C1\SC(=S)N(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)C1=O	4042172	NNSTYYQFKPMQNE-RTKXVVQESA-N	349.437	0.972	10	40	ECCB	
CC1=NN(c2ccc(C)cc2)C(=O)/C1=C/c1c(O)[nH]c(=O)[nH]c1=O	5544083	FTRYVXUWBLYVGA-YRNVUSSQSA-N	326.312	0.883	10	40	ECCB	
COC(=O)[C@]1(C)N[C@H](c2ccc(N(C)C)cc2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21	222437599	VSRPPMMZWAVKTF-UHQDVWGKSA-N	345.399	0.560	10	40	ECCB	
CCS(=O)(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	53669836	ZQVCEMLKDBRWTR-CYBMUJFWSA-N	325.434	0.828	10	40	ECCB	
O=C(CN1CCN(CCO)CC1)NCc1ccc(N2CCCC2)cc1	69772283	CSTIXXHVZVXTEQ-UHFFFAOYSA-N	346.475	0.513	10	40	ECCB	
O=C(O)CNS(=O)(=O)c1cccc2c1C(=O)c1ccccc1C2=O	12042477	OJIRAJFTKIJEMZ-UHFFFAOYSA-N	345.332	0.825	10	40	ECCB	
O=C1N=C(O)/C(=C\NCCN2CCOCC2)C(=O)N1c1ccccc1	102488593	GKFKMUNACXHYAG-WYMLVPIESA-N	344.371	0.915	10	40	ECCB	
COc1c(O)c(O)c(C)c2c1OC(=O)[C@]2(C)NC(=O)/C=C/C(=O)O	1772592112	ZWIHLCKHOMJFNY-MBVDDHJVSA-N	337.284	0.306	10	40	ECCB	
COc1ccc(N2CCN(c3nc4c(cnn4C)c(=O)[nH]3)CC2)cc1	57840571	APHNPEJUTUFVGZ-UHFFFAOYSA-N	340.387	0.992	10	40	ECCB	
COC(=O)CN1C(=O)N/C(=C/c2ccc(N3CCOCC3)cc2)C1=O	33742847	VFMROEFCTUGBDM-GXDHUFHOSA-N	345.355	0.589	10	40	ECCB	
COc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc([N+](=O)[O-])c1O	36044810	APFKHCJPFFAUOI-UHFFFAOYSA-N	335.272	0.743	10	40	ECCB	
CCOC(=O)N[C@H]1CS(=O)(=O)C[C@H]1NCc1ccc(N)cc1	575421039	MPNGVUWWCLZQSB-OLZOCXBDSA-N	327.406	0.270	10	40	ECCB	
COCCNC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCN2C)N(C)C	8963872	HPDUNUCMKFOJQI-INIZCTEOSA-N	348.447	0.160	10	40	ECCB	
CN1C(=O)C(=CNCc2noc(-c3ccccc3)n2)C(=O)N(C)C1=O	20592220	HHDMCTTYYKIMTN-UHFFFAOYSA-N	341.327	0.761	10	40	ECCB	
CN(C)CCN/C=C1/C(=O)NC(=S)N(CCc2ccccc2)C1=O	2593489	HUOIQRVQACZCMI-OWBHPGMISA-N	346.456	0.508	10	40	ECCB	
COCCNC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCN2C)N(C)C	8963871	HPDUNUCMKFOJQI-MRXNPFEDSA-N	348.447	0.160	10	40	ECCB	
COc1ccccc1N1C(=O)/C(=C/NCCN(C)C)C(=O)NC1=S	2301299	NIFBLHZEOIWKRD-ZHACJKMWSA-N	348.428	0.478	10	40	ECCB	
CN1C(=O)C(=Cc2cc3c(cc2[N+](=O)[O-])OCO3)C(=O)N(C)C1=S	59139195	ZFGBDPZMZLKLSK-UHFFFAOYSA-N	349.324	0.922	10	40	ECCB	
CC(=O)NCC(=O)NCC(=O)N1CC=C(c2ccc(N(C)C)cc2)C1	95456520	ABCMDIPRUHYSRP-UHFFFAOYSA-N	344.415	0.231	10	40	ECCB	
O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C\NCc1cccnc1	100472704	ZONUNZARRHFNJP-LCYFTJDESA-N	326.312	0.927	10	40	ECCB	
COc1ncccc1C(=O)NCc1ccc(N2CCNC(=O)C2)cc1	40519948	VOIODTQLWMVYJU-UHFFFAOYSA-N	340.383	0.956	10	40	ECCB	
CN(Cc1ccc(N(C)C)cc1)C(=O)Cn1ccc(=O)n(C)c1=O	44918232	ABKCDUPINOIWIC-UHFFFAOYSA-N	330.388	0.272	10	40	ECCB	
CCCNC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCN2C)N(C)C	8963854	CIYCPDCHJBTAQE-MRXNPFEDSA-N	332.448	0.924	10	40	ECCB	
CCc1nnsc1C(=O)NCc1ccc(N2CCNC(=O)C2)cc1	42078073	IORJXIGQSXIUTB-UHFFFAOYSA-N	345.428	0.967	10	40	ECCB	
CCCCN1C(=O)NC(=O)/C(=C/NCCCN2CCOCC2)C1=O	20325387	NHSBYDSBRLJWJB-SEYXRHQNSA-N	338.408	0.061	10	40	ECCB	
CC(=O)N[C@@H]1[C@@H](OCc2ccccc2)O[C@@H](CN=[N+]=[N-])[C@@H](O)[C@@H]1O	4530815	MDBICQUTHZWLGW-AHDPXTMNSA-N	336.348	0.465	10	40	ECCB	
N[C@@H]1CCCC[C@H]1N/C=C1\C(=O)NC(=O)N(Cc2ccco2)C1=O	20502160	NQMLYQHGLIYKKQ-NALFIARHSA-N	332.360	0.601	10	40	ECCB	
Nc1c(NCCO)cc(NCCO)c2c1C(=O)c1ccccc1C2=O	9060121	APDVBVASSHTYLJ-UHFFFAOYSA-N	341.367	0.853	10	40	ECCB	
CCCCN1C(=O)/C(=C/NCCCn2ccnc2)C(=O)NC1=S	20024414	KLOFXXRYQFIQFO-ZRDIBKRKSA-N	335.433	0.790	10	40	ECCB	
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)[C@@H]3COCCO3)cc2)C1	55917250	NCKWNZVROBTZQQ-HOCLYGCPSA-N	347.415	0.420	10	40	ECCB	
CN(C)c1ccc([C@H](CNS(C)(=O)=O)N2CCOCC2)cc1	22665891	KPCOOYVGELXAGV-HNNXBMFYSA-N	327.450	0.675	10	40	ECCB	
O=C1NC(=S)N(C2CC2)C(=O)/C1=C/NCCCN1CCCCC1	1873603	HFOVRVYHLHUHIY-ACCUITESSA-N	336.461	0.742	10	40	ECCB	
Cc1ccc(N2NC(=O)/C(=C\c3c(O)[nH]c(=S)[nH]c3=O)C2=O)cc1	5728579	YOUUEGSWIUDSTD-UXBLZVDNSA-N	344.352	0.908	10	40	ECCB	
CCOC(=O)CN(/N=N/c1nonc1OC)c1nonc1OC	6546353	SXEKUVZVXCEBMM-LFIBNONCSA-N	327.257	0.538	10	40	ECCB	
O=c1[nH]nc2c(N3CCC[C@H](NCc4ccccc4O)C3)nccn12	67350081	QGUIGZZNAFGHHQ-ZDUSSCGKSA-N	340.387	0.882	10	40	ECCB	
CN(C)c1ccc(CNC(=O)[C@H]2CCCN2S(C)(=O)=O)cc1	30523526	MOCMPBZKSVIYJJ-CQSZACIVSA-N	325.434	0.793	10	40	ECCB	
CCCCN1C(=O)NC(=O)/C(=C\NCCCN2CCOCC2)C1=O	101072241	NHSBYDSBRLJWJB-OUKQBFOZSA-N	338.408	0.061	10	40	ECCB	
CC1=NN(c2ccccc2)C(=O)[C@H]1/C=C1\C(=O)NC(=O)N(C)C1=O	100276662	IAOHPMJXVFPVEZ-SERMCNLOSA-N	326.312	0.660	10	40	ECCB	
COc1c(O)ccc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c1[N+](=O)[O-]	408717986	PYFIPYUVGDUJTA-UHFFFAOYSA-N	335.272	0.743	10	40	ECCB	
COC(=O)C1=C(C)N(C)C(=O)/C1=C\c1ccc(OCC(N)=O)cc1	5977583	UNDMVVJHCUYOER-JYRVWZFOSA-N	330.340	0.853	10	40	ECCB	
CCCCN1C(=O)/C(=C\NN2CCN(C)CC2)C(O)=NC1=S	38168058	CEEOLUGCMJKTQO-KHPPLWFESA-N	325.438	0.506	10	40	ECCB	
CN1C(=O)NC(=O)/C(=C\Nc2cc3nc(O)[nH]c3cc2N(C)C)C1=O	408534278	QBCNCHYVENYOFJ-VOTSOKGWSA-N	344.331	0.339	10	40	ECCB	
COC(=O)[C@]1(C)N[C@@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(C)C(=O)[C@H]21	19460566	VSRPPMMZWAVKTF-WZTLGTBRSA-N	345.399	0.560	10	40	ECCB	
CC[C@H](C)N1C(=O)/C(=C/NCCN2CCCCC2)C(=O)NC1=S	20290863	MVLAHIFZBNPYJL-OWRWYXLESA-N	338.477	0.988	10	40	ECCB	
CC(=O)N[C@H]1[C@@H](OCc2ccccc2)O[C@@H](CN=[N+]=[N-])[C@@H](O)[C@@H]1O	4530814	MDBICQUTHZWLGW-JARUQAPTSA-N	336.348	0.465	10	40	ECCB	
CN1C(=O)NC(=O)/C(=C\Nc2cc3nc(O)[nH]c3cc2[N+](=O)[O-])C1=O	408532353	MKMFJUJSHUYNRI-SNAWJCMRSA-N	346.259	0.181	10	40	ECCB	
CC(=O)NC1=NC(=O)/C(=C/Nc2ccc(S(N)(=O)=O)cc2)S1	618254462	BEWDZNQFHQPKOC-POHAHGRESA-N	340.386	0.353	10	40	ECCB	
COc1ccc(N2CCN[C@H](C(=O)NCCn3ccc(C)n3)C2)cc1	257262206	LKOZPGZWQSVNOU-KRWDZBQOSA-N	343.431	0.795	10	40	ECCB	
[N-]=[N+]=NC[C@@H]1O[C@H](n2cnc3c(NC=O)ncnc32)C[C@@H]1C(=O)O	4946649	NARKGZKOKBHIPW-FXQIFTODSA-N	332.280	0.693	10	40	ECCB	
Cn1c(=O)c2[nH]c(/N=N/Nc3ccc(C(=O)O)cc3)nc2n(C)c1=O	9310175	ZUOLAFLUPRWPFA-UHFFFAOYSA-N	343.303	0.769	10	40	ECCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C\NCCN(C)C)C2=O)cc1	19994778	RIRHMOZGNYKXQA-SDNWHVSQSA-N	330.388	0.867	10	40	ECCB	
Cc1cc(=O)n2nc(N)c(/N=N/c3ccc(S(N)(=O)=O)cc3)c2[nH]1	8453287	XLKHQWRUASSMFH-ISLYRVAYSA-N	347.360	0.976	10	40	ECCB	
Cc1ccc(N2C(=O)/C(=C\NN3CCOCC3)C(=O)N=C2S)cc1	8664779	ZDSOUSBYNORBJQ-RAXLEYEMSA-N	346.412	0.875	10	40	ECCB	
CCN(CC)c1ccc(/C=c2/sc3nc(=O)cnn3c2=O)cc1	137740	MBPLYLCBKQZQIW-UKTHLTGXSA-N	328.397	0.905	10	40	ECCB	
Cn1cc(/C=C/C(=O)N2CC(=O)Nc3ccccc32)c(=O)n(C)c1=O	24970641	ZAEPVKMCOFEVQW-BQYQJAHWSA-N	340.339	0.083	10	40	ECCB	
CC1=NN(c2ccccc2)C(=O)[C@H]1/C=C1/C(=O)NC(=S)N(C)C1=O	5854880	SXIBLICFIHIRMJ-LCFDYFRESA-N	342.380	0.825	10	40	ECCB	
O=C1CN(c2ccc(CNC(=O)c3ccc(=O)[nH]c3)cc2)CCN1	42079658	ZUWAVPVQWYIBOR-UHFFFAOYSA-N	326.356	0.241	10	40	ECCB	
CN1C(=O)/C(=C\c2ccc3c(c2)n(C)c(=O)n3C)C(=O)NC1=S	4723989	UFHNFUKCCAZBBX-TWGQIWQCSA-N	330.369	0.134	10	40	ECCB	
O=S1(=O)CC[C@H](Nc2ccccc2N[C@H]2CCS(=O)(=O)C2)C1	40177515	GNLQZQOKKUXNFV-RYUDHWBXSA-N	344.458	0.885	10	40	ECCB