smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
Cc1ccc(N2C(=O)/C(=C/c3ccc(CN(CCC#N)S(C)(=O)=O)o3)C(=O)NC2=S)cc1Cl	2177508	ZEQVJIAYUGJEQU-GZTJUZNOSA-N	506.993	2.748	30	40	KFEB	
CCCC(=O)O[C@@H]1[C@@H](C)[C@@]2(O)[C@@H](C=C(CO)C[C@@]3(O)C(=O)C(C)=C[C@H]32)[C@@H]2C(C)(C)[C@]12OC(=O)CCC	17654678	BQJRUJTZSGYBEZ-NQGQECDZSA-N	504.620	2.632	30	40	KFEB	
C=CCOC(=O)[C@H]1[C@@H](c2ccc(C(C)(C)C)cc2)[C@@H](C(=O)OCC=C)[C@]2(C[C@@]1(C)O)NNC(=S)N2	33821851	USHMZOYLGMPHSA-XCTUXTECSA-N	501.649	2.592	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1cc(Cl)ccc1O	408945998	HZPVJUMOPDSDMR-FJLGLVMOSA-N	518.954	2.566	30	40	KFEB	
CCOC(=O)COc1c(/C=N\N[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc(Br)cc1OC	408942654	DXROPMNDJFEHEF-IHWMPTITSA-N	679.521	2.920	30	40	KFEB	
CCOC(=O)COc1ccc(/C=N/N[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OCC	408952450	OBSQQEKKHNQJOV-FRHNZQJJSA-N	614.652	2.548	30	40	KFEB	
C#CCOc1c(Br)cc(/C=N\N[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1[N+](=O)[O-]	408958303	VMUWRIMGOKQJKM-HMWBBYHBSA-N	646.451	2.890	30	40	KFEB	
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NCc1ccco1	70697648	KUOIOLIROJEQAC-KZRSSFNRSA-N	539.625	2.798	30	40	KFEB	biogenic
COCCN1C(=O)C(=O)/C(=C(/O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)[C@H]1c1ccc(O)cc1	102892852	NOQAKHCTENFNGH-HOGKFDNTSA-N	500.573	2.635	30	40	KFEB	
COC(=O)[C@@H]1C[C@H](O)CN1C(=O)CO/N=C1/C=C[C@@]2(C)C(=C1)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O	118934124	RSSJAWQURRUEQB-YOJAEXLFSA-N	500.636	2.984	30	40	KFEB	
CC(C)(O)/C=C/C(=O)[C@](C)(O)[C@@H]1[C@H](O)C[C@]2(C)[C@@H]3CC=C4[C@H](C[C@H](O)C(=O)C4(C)C)[C@@]3(C)C(=O)C[C@]12C	257545114	SRPHMISUTWFFKJ-OTYCALJDSA-N	516.675	2.929	30	40	KFEB	endogenous,in-man
C#CCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N(CCOC)CCOC)cc2)sc2c(C)cc(C)cc21	100910459	BWFDWZFTYJFQGT-QPLCGJKRSA-N	515.657	2.977	30	40	KFEB	
C=CCN1C(=O)/C(=C/c2cc(Br)c(OCC(=O)OC)c(Br)c2)C(=O)NC1=S	408903359	RNPRXTCLCJTCHK-BJMVGYQFSA-N	518.183	2.576	30	40	KFEB	
C#CCOc1cc(Br)c(/C=N/N[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OC	408946826	IQILGKFZADSHPF-AAGWNSTHSA-N	631.480	2.990	30	40	KFEB	
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccccc2OC)c1C	8897353	UQYXSUBDPMQHQP-QHCPKHFHSA-N	511.575	2.727	30	40	KFEB	
C=CCn1c(SCC(=O)Nc2cccc(C(=O)OCC)c2)nnc1[C@H](CO)NC(=O)c1ccc(OC)cc1	408594979	DWSUCKRYNIOVLK-NRFANRHFSA-N	539.614	2.844	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C\c1cc(I)cc(OC)c1O	408944081	GHAYEVSVYKQFSS-JYOMVNRNSA-N	640.431	2.526	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1ccc(N2CCCCC2)o1	408946898	IXIKZIMIMIEPTI-XPRZIIGNSA-N	541.605	2.790	30	40	KFEB	
CCN(CC)C(=O)[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2/C=N/Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCC(C(N)=O)CC2)C1	150401638	ZGUUTUPRYSJBTJ-KLHGDHNKSA-N	658.738	2.920	30	40	KFEB	
COC(=O)c1ccc([C@@H]2C(C(=O)c3c(C)nc4ccccn34)=C(O)C(=O)N2CCCN2CCOCC2)cc1	8817974	XTZNPVRDYIDPGP-XMMPIXPASA-N	518.570	2.730	30	40	KFEB	
COc1cc(C(=O)OCC(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCCCN3)cc2)cc(OC)c1OC	13129860	NLGJIRFGHLUPOR-UHFFFAOYSA-N	519.576	2.759	30	40	KFEB	
COc1cc(/C=N/Nc2nc(N3CCCCC3)nc(N3CCOCC3)n2)ccc1OC(=O)c1ccco1	408736018	ZYXOKMJUICXZQW-YZSQISJMSA-N	507.551	2.965	30	40	KFEB	
COC(=O)N1CCN([C@H]2CC[C@H](Nc3nc(Nc4cnn(C)c4)nc4ccc(CC#N)nc34)CC2)CC1	1777699086	RPGMSHCJIWHISY-IRJFHVNHSA-N	504.599	2.675	30	40	KFEB	
COc1cccc([C@H]2C(C(=O)c3c(C)nc4ccccn34)=C(O)C(=O)N2CCCN2CCOCC2)c1OC	8827097	NUDFZVHEAIWCMM-DEOSSOPVSA-N	520.586	2.961	30	40	KFEB	
COc1ccc(OC)c([C@H]2C(C(=O)c3c(C)nc4c(C)cccn34)=C(O)C(=O)N2CCN2CCOCC2)c1	8827195	DOPXUAFWZFMPRH-DEOSSOPVSA-N	520.586	2.879	30	40	KFEB	
O=C(O)COCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(N2CCC(Cc3ccccc3)CC2)cc1	59664857	YDZPMEWCPNRZLR-BJRCPBJDSA-N	557.694	2.848	30	40	KFEB	
O=C(COc1ccccc1)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(I)c1	101317754	LRDXONWAOABDIN-OOADYSHXSA-N	528.393	2.972	30	40	KFEB	
NC(=S)N/N=C1\C[C@@H](n2nc(-n3nc(-c4ccccc4)cc3-c3ccccc3)n(N)c2=S)[C@@H]2CO[C@@H]1O2	101624244	PVVAXQAEUKPXFZ-WSUSXDQJSA-N	533.643	2.523	30	40	KFEB	
CCOC(=O)[C@@H](C)Oc1ccc(C=Nn2c(O)nc3ccccc3c2=O)cc1I	409354753	BRSYVXUCRXTJKA-GFCCVEGCSA-N	507.284	2.919	30	40	KFEB	
COc1cccc([C@@H]2C(C(=O)c3c(C)nc4ccccn34)=C(O)C(=O)N2CCCN2CCOCC2)c1OC	8827096	NUDFZVHEAIWCMM-XMMPIXPASA-N	520.586	2.961	30	40	KFEB	
CCN1C(=O)[C@]2(C(C(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)=C(O)C(=O)N2CCCN(C)C)c2ccccc21	98046881	KRMGQKHVRTUEEB-SSEXGKCCSA-N	580.707	2.912	30	40	KFEB	
CCOC(=O)c1ccc(NC(=O)C[C@H]2S/C(=N\N=C\c3ccc(OC)c(OC)c3C(=O)O)NC2=O)cc1	97968120	QADRJBXRBBLTFW-YTIGJDNKSA-N	528.543	2.529	30	40	KFEB	
C=CCN1C(=O)[C@@]2(C(C(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)=C(O)C(=O)N2CCCN(C)C)c2ccccc21	98046924	UBWWZUXNNVFHOT-PMERELPUSA-N	578.691	2.688	30	40	KFEB	
CCOC(=O)[C@H]1NC(=C2C(=O)c3ccccc3C2=O)[C@H]2C(=O)N(N(C)c3ncc(C(F)(F)F)cc3Cl)C(=O)[C@@H]12	100910839	AHJCNTNLMQYJJX-DAYGRLMNSA-N	562.888	2.574	30	40	KFEB	
CCOC(=O)COc1ccc(/C=N/Nc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)cc1OC	9310652	IYHJKAVKYGXKAC-WGOQTCKBSA-N	507.551	2.848	30	40	KFEB	
CCCN1C(=O)[C@]2(C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2CCN2CCOCC2)c2ccccc21	24192986	NVPSBVPRAURMFG-MUUNZHRXSA-N	505.571	2.517	30	40	KFEB	
CCCOc1ccc(/C=N\Nc2nc3c(c(=O)[nH]c(=O)n3C)n2C[C@H](O)COc2ccc(CC)cc2)cc1	33921352	WLWPZDZWDICHBI-BWHPKIFCSA-N	520.590	2.660	30	40	KFEB	
COCCCN1C(=O)C(O)=C(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@@H]1c1ccc(Cl)cc1	38139765	DWMVRFYWSXRRFL-QFIPXVFZSA-N	535.018	2.976	30	40	KFEB	
COC[C@H](C)N1C(=O)[C@H](CC(=O)Nc2ccccc2)S/C1=N\c1ccc(S(=O)(=O)N2CCOCC2)cc1	97982133	HTEJBTMOKVSZBV-HRQGHCQOSA-N	546.671	2.703	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1cc(I)c(OCC(=O)OC)c(I)c1	408944836	GXLFULDNDAGAND-DNBJFUAZSA-N	808.364	2.968	30	40	KFEB	
C#CCOc1cc(Br)c(/C=N/N[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OC	408946829	IQILGKFZADSHPF-MSNSGGQWSA-N	631.480	2.990	30	40	KFEB	
O=c1c2ccccc2nc(O)n1N=Cc1cc(I)c(O)c(I)c1	409361657	QTFGNWUGNOUGDG-UHFFFAOYSA-N	533.063	2.899	30	40	KFEB	
CN1C(=O)[C@@]2(/C(=C(\O)c3cc4ccccc4o3)C(=O)C(=O)N2CCCN2CCOCC2)c2ccccc21	9403634	ZTKXKIQDGOIIGT-PWBNPAGMSA-N	501.539	2.707	30	40	KFEB	
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(OC)c(OC)c2)c1C	97953940	HQWGNAUJFXRFMB-DEOSSOPVSA-N	541.601	2.736	30	40	KFEB	
CSc1ccc([C@H]2C(C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)=C(O)C(=O)N2CCCN2CCOCC2)cc1	98047191	XHOMTCQMCLWGAE-DEOSSOPVSA-N	559.710	2.959	30	40	KFEB	
C=CCc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc(OCC)c1OCC(=O)N1CCOCC1	409401885	UHZDPCQYUKULQR-STZFKDTASA-N	553.568	2.524	30	40	KFEB	
CC(=O)O[C@H]1C[C@]23C[C@@]24CC[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)[C@@H]4CC=C3[C@]2(C)C[C@@H]3O[C@]4(C[C@@H](C)[C@@H]3[C@@]12C)O[C@H](O)[C@]1(C)O[C@@H]41	2060993525	XUJMHSCMPCZWOV-NLQAJJCYSA-N	674.828	2.949	30	40	KFEB	
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@]23C(=O)N(C)c2ccccc23)cc1C	24192928	FSNHYYBOFFEZQG-LJAQVGFWSA-N	517.582	2.601	30	40	KFEB	
Cc1ccc(Cc2n[n+](CC(=O)Nc3ccccc3)c(SCC(=O)Nc3ccccc3)n(N)c2=O)cc1	27546153	NXDHDOLVGFCXJJ-UHFFFAOYSA-O	515.619	2.513	30	40	KFEB	
CCCCN1C(=O)[C@@]2(/C(=C(\O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN(C)C)c2ccccc21	102598470	WNEKVDXVBROIAH-PWBNPAGMSA-N	505.571	2.742	30	40	KFEB	
C=CCN(CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)Cc1ccc(Br)s1	102888223	AXZZVVADBSCOOZ-UHFFFAOYSA-N	528.494	2.836	30	40	KFEB	
COc1ccc(NC(=O)C[C@H]2S/C(=N/c3ccc4c(c3)OCO4)N(CCN3CCOCC3)C2=O)c([N+](=O)[O-])c1	102924102	OXEBXVJCTAMSCI-VQAHOFKPSA-N	557.585	2.625	30	40	KFEB	
CN(C)S(=O)(=O)c1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(Cl)cc2)cc1	97951216	BKJBQDWASQGCBI-QHCPKHFHSA-N	548.061	2.891	30	40	KFEB	
C=C1[C@H](O)[C@@]2(O)OC[C@]34[C@@H]2[C@@]2(C)[C@H](O)C(=O)C=C(C)[C@@H]2C[C@H]3OC(=O)[C@@H](OC(=O)C/C=C(/C)CCCCC)[C@H]14	104236834	JNBOCJQZCHEASA-JLIPSYHCSA-N	544.641	2.525	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1cccc(Br)c1	408942481	DRIXEWZYGPBHLX-GKIICUKPSA-N	547.406	2.970	30	40	KFEB	
C#CCNC(=O)C[C@@H]1c2nc(NC(=O)c3ccc(OC)cc3)sc2C[C@H]2[C@@]1(C)CC[C@@H](O)[C@@]2(C)CO	4222272	SHMIZPHBKCCPTD-BWSFKYGTSA-N	511.644	2.959	30	40	KFEB	biogenic,in-vitro
CN1C(=O)[C@]2(C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCCN2CCOCC2)c2ccccc21	20358883	UCTIJCMZCAQRQK-MUUNZHRXSA-N	501.539	2.864	30	40	KFEB	
C=C1[C@@H](O)C[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)[C@@H](OC(C)=O)C[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C	101260753	NTRHFSRAAXRZLC-FJANQRQLSA-N	578.655	2.964	30	40	KFEB	biogenic
C#CCOc1ccc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3OC)C2=O)cc1I	409220955	IJEWLMUANBVULS-SFQUDFHCSA-N	531.306	2.843	30	40	KFEB	
COc1ccc(S(=O)(=O)N[C@H](CCSC)C(=O)OCC(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCCCN3)c2)cc1	97979585	KAAJUVAFGQWFQH-HSZRJFAPSA-N	626.779	2.528	30	40	KFEB	
CCOC(=O)N1CCN(c2nc3ccccc3nc2[C@H](C#N)C(=O)NCCc2ccc(OC)cc2)CC1	9191745	WSWCSSOKNSFYMI-NRFANRHFSA-N	502.575	2.883	30	40	KFEB	
COc1cc(/C=N/NS(=O)(=O)c2ccc(C)cc2)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-]	408885084	ZYCMQBBRNRTEBI-HYARGMPZSA-N	505.530	2.992	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C\c1cc(Br)ccc1OC(C)=O	408937872	ACBBPNLQXTYPKX-RQIQZXEBSA-N	605.442	2.895	30	40	KFEB	
COc1ccc(CCNC(=O)CCCn2c(SCC#N)nc3cc4c(cc3c2=O)OCO4)cc1OC	2975650	QNMKKKFNKBPXRN-UHFFFAOYSA-N	510.572	2.897	30	40	KFEB	
C=CCOc1ccc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)[C@H]2C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1	102618846	RBZFHZPRCFJKRC-XQBPLPMBSA-N	527.521	2.606	30	40	KFEB	
CC(=O)O[C@]1(C(=O)COC(=O)CCC(=O)N2C[C@H](O)C[C@H]2C(=O)O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C	70698335	ZQLUAONXKBONOF-MPTUJBOQSA-N	601.693	2.759	30	40	KFEB	biogenic
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCC#N)c3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	408922407	DVEOHJKFMNPOQC-FVIVVMBBSA-N	502.596	2.767	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C\c1ccc(OC(C)=O)c(Br)c1	408957060	SAWCCZWBUXEBRR-WCEAEALDSA-N	605.442	2.895	30	40	KFEB	
CCOC(=O)[C@@H](C)Oc1c(I)cc(C=Nn2c(O)nc3ccccc3c2=O)cc1OC	409354443	FLRYGYPVVGQHEY-GFCCVEGCSA-N	537.310	2.928	30	40	KFEB	
COc1cc(OC)c2c(c1Cl)O[C@@]1(C(=O)/C(=C/N[C@@H](CCS(C)(=O)=O)c3nc(-c4ccccn4)no3)C(=O)C[C@H]1C)C2=O	1547139254	QXCGXFQFSDSUCG-YCWPVUHCSA-N	631.063	2.944	30	40	KFEB	
CCOC(=O)[C@@H]1/C(=N/NS(=O)(=O)c2ccc(C)cc2)C[C@](C)(O)[C@@H](C(=O)OCC)[C@H]1c1ccccc1	36556727	XCHGLPYETUMHLR-QBFCIXHTSA-N	516.616	2.926	30	40	KFEB	
COc1cc(OC)c2c(c1Cl)O[C@]1(C2=O)C(O)=C([C@@H](CC(=O)NCc2cc(=O)n(C)c(=O)n2C)c2ccc3c(c2)OCO3)C(=O)C[C@H]1C	1547139162	KQXUWTBNIOCHCS-ZRJIPITBSA-N	682.082	2.709	30	40	KFEB	biogenic
O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)C(F)(F)[C@]1(F)OC(F)(F)C(F)(F)C1(F)F	3172046	AZWPGRNIWJOHFP-HNNXBMFYSA-N	516.338	2.841	30	40	KFEB	
CCCN1C(=O)[C@@]2(C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCN2CCOCC2)c2ccccc21	24193192	YDCJSVYLQWEIGX-QTEAWJPNSA-N	531.609	2.831	30	40	KFEB	
CN(C)S(=O)(=O)c1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccc(Br)c2)cc1	97969563	BGRQRLGSYJNRSS-QFIPXVFZSA-N	578.485	2.610	30	40	KFEB	
C=CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OC)c3OC)c(=O)n2[C@@H]1c1ccc(OC)cc1	8915559	GXEGFCDDLBVSOD-JDCXBEBJSA-N	506.580	2.990	30	40	KFEB	
C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)OCC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)c1	17466424	IFHMKYNCLKFIGB-GOSISDBHSA-N	541.047	2.524	30	40	KFEB	
COc1cc(/C=N/N2C(=O)/C(=C\c3ccc(OCC(=O)O)c(OC)c3)SC2=S)ccc1OCC(=O)O	101090489	BMQUSIVATNOHOH-NSTUXYHDSA-N	532.552	2.866	30	40	KFEB	
COC(=O)[C@]12C(=O)[C@](C)(O)C(=O)[C@@]1(C)C(C)=C[C@@H]1[C@]2(C)CC[C@H]2C(C)(C)[C@@H](OC(C)=O)CC[C@@]21C=O	253476492	VNBOCIKTDWMWMX-VMLWFJPXSA-N	502.604	2.984	30	40	KFEB	biogenic,in-vitro
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1cc(Br)c(OCC(=O)O)c(OCC)c1	408957103	SETZZCQTOYBGMF-DHYSAPCYSA-N	665.494	2.832	30	40	KFEB	
COc1cc(OC)c2c(c1Cl)O[C@@]1(C(=O)C=C(NC3CCN(S(=O)(=O)C(C)C)CC3)C[C@H]1C)C2=O	604406195	YICRKFUQRBJJAP-SHACYNPGSA-N	527.039	2.956	30	40	KFEB	biogenic
C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OCC)c(OCC)c2)C(C(=O)OC)=CN=3)cc1	408933706	KFOGHKMZFULWBG-JCHYSQADSA-N	518.591	2.828	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1cc(Br)c(OCC(=O)OC)c(OCC)c1	408959110	YHTBPUDLXSAFGV-ANXAOISFSA-N	679.521	2.920	30	40	KFEB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCC#N)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409036119	KRNXAVZWJRQKHZ-MZANGIHLSA-N	591.642	2.651	30	40	KFEB	
COC1=C(C2=C(OC)C(=O)c3cc4c(c(O)c3C2=O)C(=O)O[C@H](C)C4)C(=O)c2c(cc3c(c2O)C(=O)O[C@@H](C)C3)C1=O	86004239	WICHONPZVIYWIJ-AOOOYVTPSA-N	574.494	2.560	30	40	KFEB	
COCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@H]1c1ccc(Cl)cc1	102892736	AJSFPQCRHBVUFR-HOGKFDNTSA-N	535.018	2.819	30	40	KFEB	
COc1ccc(NS(=O)(=O)c2ccc(Cl)c(N/N=C(\C(C)=O)C(N)=O)c2)cc1Br	102949415	LEIJJMHYQSQJRI-CJLVFECKSA-N	503.762	2.754	30	40	KFEB	
CC(=O)O[C@H]1[C@@H](C)C2=CC(=O)C3=C(O[C@@]4(C)CC[C@H]5O[C@@H](C(C)(C)O)C[C@@H](OC(C)=O)[C@@]5(C)[C@H]4[C@H]3O)[C@@]23O[C@@H](C)[C@@]13C	252515684	MPCIDUFOTGXABA-CPTUNVNOSA-N	588.694	2.921	30	40	KFEB	biogenic,in-vitro
C=CCc1cc(/C=N/N[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)ccc1OC	408946352	IPAMTIYRIMJVDY-IGSAFADJSA-N	538.601	2.944	30	40	KFEB	
C=CCc1cc(/C=N/N[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)ccc1OC	408946354	IPAMTIYRIMJVDY-MLPXVHMNSA-N	538.601	2.944	30	40	KFEB	
CO[C@H]1C[C@@H](O[C@@H]2CC[C@]3(C)[C@H](CC[C@]45O[C@]46CC[C@H](C(C)=O)[C@]6(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]35)C2)O[C@@H](C)[C@@H]1O[C@H]1O[C@@H](C)[C@H](O)[C@H](OC)[C@@H]1O	1079928301	BLRABBHSPXPECV-AIIHAGBWSA-N	752.895	2.995	30	40	KFEB	biogenic
COc1cc(OC)c2c(c1Cl)O[C@@]1(C(=O)/C(=C/NCCC(=O)N3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)C(=O)C[C@@H]1C)C2=O	1547206287	BAGTVCNJJAIJMS-DLWVWCRZSA-N	610.063	2.520	30	40	KFEB	
COc1ccc(/C=N/N2C(=O)[C@@H](CC(=O)O)S/C2=N\c2c(C)n(C)n(-c3ccccc3)c2=O)cc1OC	9075377	VOKSDLZQHMXILB-WOXMPFNHSA-N	523.571	2.942	30	40	KFEB	
COc1ccc(OC)c([C@@H]2/C(=C(\O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCCN2CCOCC2)c1	102726574	BIQHZXRXILYCCW-NPJIAGGLSA-N	524.570	2.619	30	40	KFEB	
COc1cccc2c1C(=O)[C@@H]1[C@H](O)[C@H]3[C@H](C[C@@](O)(/C(C)=N/N=C/C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C[C@H]3O[C@H]3C[C@H](N)[C@H](O)[C@H](C)O3)[C@@H](O)[C@@H]1C2=O	257198963	NMRQTRXDJXMXSO-KWBJNPGCSA-N	777.634	2.923	30	40	KFEB	
CCOc1cc(/C=N/Nc2ncccc2[N+](=O)[O-])cc(I)c1OCC(=O)OC	409064839	GRYDZOWVULNUKC-AWQFTUOYSA-N	500.249	2.991	30	40	KFEB	
O=C1Nc2ccc(Br)cc2/C1=N/n1cnnc1N/N=C1/C(=O)Nc2ccc(Br)cc21	100931848	NUFSJRHKXCKWDN-UHFFFAOYSA-N	530.140	2.776	30	40	KFEB	
CC(C)[C@H](NS(=O)(=O)c1cccc2c1N=S=N2)C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1C#N	102933781	VZEZTIHYWABBAO-SFHVURJKSA-N	518.533	2.678	30	40	KFEB	
C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NCc1ccncc1	118920343	XDXIGUCJSZNBRG-UWTRAULOSA-N	550.652	2.600	30	40	KFEB	
O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1/N=C/c1cc(I)cc(I)c1O	408725073	IRYWWIXGKHFFGB-CIUGJOHCSA-N	534.091	2.742	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1cc(Br)cc(OC)c1O	408957224	SKVODJIPBBHPCK-VZHUXCPHSA-N	593.431	2.684	30	40	KFEB	
COC(=O)C1=C(N)N(c2ccc(S(N)(=O)=O)cc2)C2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OC)cc1	2188658	OCSPBCDSEDMPTF-OAQYLSRUSA-N	511.600	2.933	30	40	KFEB	
COc1ccc([C@H]2C(C(=O)c3c(C)nc4ccccn34)=C(O)C(=O)N2CCCN2CCOCC2)cc1OC	8827099	QGDLEBICGRHQFX-VWLOTQADSA-N	520.586	2.961	30	40	KFEB	
CC(=O)c1ccc(N2CCN(C(=O)c3ccc(Cl)c(/N=C4\N[C@H]5CS(=O)(=O)C[C@H]5S4)c3)CC2)cc1	33357772	NZJDUQVWMXODFI-FCHUYYIVSA-N	533.075	2.995	30	40	KFEB	
Cc1ccc(S(=O)(=O)OCCOCCOCCOCCOCCOCCOCCOS(=O)(=O)c2ccc(C)cc2)cc1	100076782	UQNONDOAUSICGF-UHFFFAOYSA-N	634.766	2.514	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1cc(Br)c(OCC(=O)O)c(OCC)c1	408957101	SETZZCQTOYBGMF-CRNNCATQSA-N	665.494	2.832	30	40	KFEB	
C#CCOc1c(/C=N\N[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc(I)cc1OC	408952033	NTHRIWQVGULYNG-ZSGIBSASSA-N	678.480	2.832	30	40	KFEB	
C=C(CC[C@H](O)[C@]1(C)CC[C@H](C(C)(C)O[C@@H]2O[C@H](COC)[C@H](O)[C@H](O)[C@@H]2NC(C)=O)O1)[C@@H]1CC[C@@H]2[C@]3(C)CC[C@H](C(C)(C)O[C@@H]4O[C@H](COC)[C@H](O)[C@H](O)[C@@H]4NC(C)=O)O[C@H]3CC[C@@]12C	1772591098	GCZBXFCUKBFLTN-AAEPLHROSA-N	927.183	2.788	30	40	KFEB	
O=C(Oc1ccc(/C=N/NC(=S)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1)c1cccnc1	3259082	DUAWMIUCRJWLPN-WGOQTCKBSA-N	525.612	2.642	30	40	KFEB	
CCOC(=O)N1CCN(c2nc3ccccc3nc2[C@H](C#N)C(=O)NCCc2ccc(OC)c(OC)c2)CC1	97954968	RFYIFVXOFBJPIX-FQEVSTJZSA-N	532.601	2.892	30	40	KFEB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCC#N)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1	408818332	ZZDJMVPFTKVDRL-DLBLZJNESA-N	519.579	2.718	30	40	KFEB	
COC(=O)c1ccc([C@H]2C(C(=O)c3c(C)nc4ccccn34)=C(O)C(=O)N2CCCN2CCOCC2)cc1	8817973	XTZNPVRDYIDPGP-DEOSSOPVSA-N	518.570	2.730	30	40	KFEB	
CCOC(=O)COc1ccc(Cl)cc1/C=N\N[C@H](O)COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OCC	408951429	NGLSWZCHAQTBFV-JCUCPVSQSA-N	605.044	2.802	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1cccc(I)c1	408958959	XOWWCWYZCHURAV-GSKHPKCTSA-N	594.406	2.812	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1c[nH]c2ccccc12	408958137	VIDICEFHDXQWSS-JKUJXJLCSA-N	507.547	2.688	30	40	KFEB	
CCCN1C(=O)[C@@]2(C(C(=O)c3cccc(S(=O)(=O)N4CCCCC4)c3)=C(O)C(=O)N2CCN(C)C)c2ccccc21	98046795	MVVMZFVNMIEJQO-PMERELPUSA-N	580.707	2.912	30	40	KFEB	
C[C@@H]1CO[C@H](NC(=O)C(F)(F)C(F)(F)C(F)(F)F)[C@@H](NC(=O)C(F)(F)C(F)(F)C(F)(F)F)O1	217360380	WUKGAAKKFUAUEK-WISUUJSJSA-N	524.205	2.972	30	40	KFEB	
CO[C@@H]1[C@@H](O)[C@H](C)O[C@@H](O[C@H]2CC[C@@]3(C=O)[C@@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@@H](c5ccc(=O)oc5)CC[C@]43O)C2)[C@H]1O	255250101	NYOVJCZRJINYSI-QHBUIEHJSA-N	560.684	2.927	30	40	KFEB	
C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2cccc(OC)c2)C(C(=O)OCC)=C(C)N=3)cc1OC	408923688	HJGKTABUTAYCNK-GJFKPFFXSA-N	518.591	2.828	30	40	KFEB	
COC1=C[C@@]2(CC(C)(C)N3C(=O)[C@@]4(C(C(=O)c5ccc(OC)cc5)=C(O)C(=O)N4c4ccccc4O)C(C(N)=O)=C32)C(C)=CC1=O	604405169	LLBKVPMXUOVHFX-KKLWWLSJSA-N	625.634	2.991	30	40	KFEB	biogenic
CCCCCCCCC[C@@H]1CC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](C)C(=O)N[C@H](C(C)C)C(=O)O1	73293000	KIJLRIARMCGDJZ-JYXIKEANSA-N	637.863	2.876	30	40	KFEB	
O=[N+]([O-])c1cc(S(=O)(=O)OCC#CCOS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)ccc1Cl	1736618	GWCWQFFFRJTUKM-UHFFFAOYSA-N	525.300	2.924	30	40	KFEB	
CCOC(=O)COc1ccc(/C=N/N[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1Br	408937854	AAPDNLHFTXJMAR-NSXRUNHISA-N	649.495	2.912	30	40	KFEB	
C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OC)c(OC)c3)c(=O)n2[C@H]1c1ccccc1	9030334	QCUNQJHYEYMVQG-RNHBDSLOSA-N	506.580	2.990	30	40	KFEB	
C=CCn1c(=O)/c(=C2/Sc3ccc(OC)cc3N2C)s/c1=C1\C(=O)N(c2ccc(S(=O)(=O)O)cc2C)N=C1C	100367831	SDANWEOOZZIVLB-ORFRIDJFSA-N	584.701	2.541	30	40	KFEB	
CCCN1C(=O)[C@]2(/C(=C(\O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2C[C@H]2CCCO2)c2ccccc21	102892353	WDRGODIXEQAUIA-HKYBIAHUSA-N	504.539	2.969	30	40	KFEB	
COCCCN1C(=O)C(O)=C(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@H]1c1ccc(OC)c(OC)c1	16972151	MMWYNZVZKVEZRT-JOCHJYFZSA-N	518.588	2.569	30	40	KFEB	
COC(=O)[C@]12C(=O)[C@](C)(O)C(=O)[C@]1(C)C(C)=C[C@@H]1[C@]2(C)CC[C@H]2C(C)(C)[C@@H](OC(C)=O)CC[C@@]21C=O	35456449	VNBOCIKTDWMWMX-QWWAQWEZSA-N	502.604	2.984	30	40	KFEB	biogenic,in-vitro
CC(C)C[C@@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C)C(=O)O	70697870	VALOYVHMTFOAOT-SSQNNYGNSA-N	573.683	2.936	30	40	KFEB	biogenic
CC[C@@H](C)[C@H](NC(=O)[C@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@@]21C)C(C)C)C(=O)O	217344225	SVMLVPRFQSDMBZ-WFRBHNCWSA-N	674.832	2.869	30	40	KFEB	
CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCC(=O)N2CCOCC2)c(OC)c1	409277444	AXRDADRBGDUFFD-UHFFFAOYSA-N	529.391	2.850	30	40	KFEB	
C=C1C(=O)[C@@]23[C@@H]([C@@H](OC(C)=O)C[C@@H]1[C@H]2OC(C)=O)[C@@]12CCC[C@@](C)(CO[C@H]1OC)[C@H]2C[C@H]3OC(C)=O	4268217	NBQICXNAIRPEHX-SJGGWTDNSA-N	504.576	2.742	30	40	KFEB	
CCc1ccc([C@@H]2C(C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)=C(O)C(=O)N2CCCN2CCOCC2)cc1	98047194	QMOKXHOEMQWLPW-RUZDIDTESA-N	541.670	2.800	30	40	KFEB	
COC(=O)c1[nH]c(C)c(/C(O)=C2\C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cc(OC)ccc2OC)c1C	102882143	BDUVGIAOYSUKEN-UVDRRRQGSA-N	541.601	2.579	30	40	KFEB	
CCc1ccccc1NC(=O)/C(CC(=O)c1c(C)[n+]([O-])c2ccccc2[n+]1[O-])=N\NS(=O)(=O)c1ccc(C)cc1	102969320	KEUYJKKLYMVQHO-WMMMYUQOSA-N	561.620	2.832	30	40	KFEB	
C=CCNC1=C2C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@@H](OC(N)=O)[C@H](OC)/C=C\C=C(/C)C(=O)NC(=CC1=O)C2=O	200314759	AYUNIORJHRXIBJ-OGWSVMTGSA-N	585.698	2.538	30	40	KFEB	
CC1=C/C(=C(/c2cc(C)c(O)c(CN(C)CC(=O)O)c2)c2ccccc2S(=O)(=O)O)C=C(CN(C)CC(=O)O)C1=O	103666307	FQELMACOLYJXDN-NHFJDJAPSA-N	584.647	2.737	30	40	KFEB	
CC1=C(CO)C(=O)O[C@H]([C@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@@]56[C@@H](O)C(N5CC5)=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1	118930052	NIXMTMDOMRNYIH-LDCVXBOUSA-N	511.659	2.996	30	40	KFEB	
C=CCOc1ccc([C@@H]2/C(=C(\O)c3ccc(S(=O)(=O)N(C)C)cc3)C(=O)C(=O)N2CCCOC)cc1	102889945	VJMDGDBGZJJTED-ZHHPLPSFSA-N	514.600	2.960	30	40	KFEB	
CO[C@@H]1O[C@@H](COS(=O)(=O)c2ccc(C)cc2)[C@@H]2OC(C)(C)O[C@@H]2[C@@H]1OS(=O)(=O)c1ccc(C)cc1	104148712	SILDFMCCOWIZCF-XZCBWCRCSA-N	542.628	2.674	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1cccc(Cl)c1	408944983	HCSSJJTWBSGGHM-GKIICUKPSA-N	502.955	2.861	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1cc(Br)c(OCC(=O)O)c(OCC)c1	408957107	SETZZCQTOYBGMF-QNNRQLQASA-N	665.494	2.832	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1cc(Br)c(OC)c([N+](=O)[O-])c1	408949409	LMLBFOHMJBOJRY-UWHXHJIVSA-N	622.429	2.886	30	40	KFEB	
CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(OCC(N)=O)c(OC)c1	1531309929	AYZBTBWUCKNKOK-OPEKNORGSA-N	503.353	2.875	30	40	KFEB	
C=CCOC(=O)[C@H]1[C@@H](c2ccc(C(C)(C)C)cc2)[C@@H](C(=O)OCC=C)[C@@]2(C[C@]1(C)O)NNC(=S)N2	15023424	USHMZOYLGMPHSA-AGDUWXGTSA-N	501.649	2.592	30	40	KFEB	
C#CCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N(CC)c3ccccc3)cc2)sc2cc(S(N)(=O)=O)ccc21	100875785	APBFIRDKMZCGDC-RFBIWTDZSA-N	554.675	2.940	30	40	KFEB	
O=S(=O)(c1ccc(Cl)c(/C(O)=N/C[C@@H](c2cccs2)N2CCOCC2)c1)N1CCOCC1	32999984	AHPUXAPFAHVTOQ-IBGZPJMESA-N	500.042	2.801	30	40	KFEB	
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(OC)cc2OC)c1C	98046629	DNNMEXAZZPBIKM-XMMPIXPASA-N	541.601	2.736	30	40	KFEB	
CN1C(=O)/C(=N\Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c2ccccc21	103766155	ARKRHUXTOQHWEA-WCTVFOPTSA-N	578.607	2.623	30	40	KFEB	
CCCCCCCCC(=O)Nc1nc(O)c2ncn([C@@H]3O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]3OC(C)=O)c2n1	104126072	PXUPTAOZYHRXCC-FCIXZNIRSA-N	549.581	2.545	30	40	KFEB	
C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)OCC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)ccc1Cl	17527580	HRNLWFKGRKKECI-LJQANCHMSA-N	559.037	2.663	30	40	KFEB	
C#CCOc1c(Br)cc(/C=N\N[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1[N+](=O)[O-]	408958304	VMUWRIMGOKQJKM-RLWAIIQZSA-N	646.451	2.890	30	40	KFEB	
CC(=O)Nc1cc(NC(C)=O)cc(C(=O)OCC(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCCCN3)cc2)c1	38139841	WOLWYAPVFPUXJF-UHFFFAOYSA-N	543.602	2.650	30	40	KFEB	
CC(C)OC(=O)COc1c(Br)cc(C=Nn2c(O)nc3ccccc3c2=O)cc1[N+](=O)[O-]	409357048	IHQXIYLFMLDKOU-UHFFFAOYSA-N	505.281	2.985	30	40	KFEB	
COc1cc(OC)c2c(c1Cl)O[C@]1(C2=O)C(O)=C([C@H](CC(=O)NCc2cc(=O)n(C)c(=O)n2C)c2ccc3c(c2)OCO3)C(=O)C[C@H]1C	1547139160	KQXUWTBNIOCHCS-MWWQNTRASA-N	682.082	2.709	30	40	KFEB	biogenic
CCCCCCC[C@H](Oc1cc(O)c2c(=O)c(-c3ccc(O[C@@H]4O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]4O)cc3)coc2c1)C(=O)OC	254744060	MPYCQJDTFYUOKP-ZBFQROOESA-N	602.633	2.625	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1ccccc1Br	408938528	AOLXUPNXPKHFGN-JXTZEJCMSA-N	547.406	2.970	30	40	KFEB	
C#CCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3CCN(C(=O)OCC)CC3)cc2)sc2cccc(OC)c21	100910244	FWUOOKPAKCRFKT-LCUIJRPUSA-N	542.639	2.549	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1cc(I)c(OC)c(OC)c1	408959032	YAWJXEWJJJHKFK-PZGWMSGBSA-N	654.458	2.829	30	40	KFEB	
COC(=O)c1ccc([C@H]2C(C(=O)c3cnn(-c4ccccc4)c3C)=C(O)C(=O)N2CCN2CCOCC2)cc1	1451562	YMYFWAIWFKCQGJ-VWLOTQADSA-N	530.581	2.878	30	40	KFEB	
CO[C@]1(C)O[C@@H](COS(=O)(=O)c2ccc(C)cc2)[C@H](COS(=O)(=O)c2ccc(C)cc2)O[C@@]1(C)OC	102726027	CIZLVXBAALAMNQ-CJRSTVEYSA-N	544.644	2.923	30	40	KFEB	
CCCCCCCCCCNC(=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)OC(C)=O	104329950	LXDXDHMHJIMYDW-VPBXCIAMSA-N	545.626	2.533	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1cccc(Br)c1	408942489	DRIXEWZYGPBHLX-XIABNSLWSA-N	547.406	2.970	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1cc(I)c(OCC(=O)OC)c(OCC)c1	408955999	RCAJATMQMOYOEO-HKTILGSXSA-N	726.521	2.762	30	40	KFEB	
CC(C)(C)OC(=O)NCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Br)cc1	32635165	OBFDVIHITAPEHO-QURIBOAPSA-N	504.428	2.575	30	40	KFEB	
C=CCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)sc2cc(S(N)(=O)=O)ccc21	100874793	UVRZOKIXKFQLOA-LDWQWDCMSA-N	534.685	2.698	30	40	KFEB	
O=C(O)COc1c(I)cc(C=Nn2c(O)nc3ccccc3c2=O)cc1I	409353289	IPDDTMFJKGADLC-UHFFFAOYSA-N	591.099	2.657	30	40	KFEB	
COc1ccc(-c2c(C#N)c(N)n([C@@H]3OC[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]3OC(C)=O)c(=S)c2C#N)cc1	5540597	ZMIHKEJUFMRJSB-VDEHWKIFSA-N	540.554	2.543	30	40	KFEB	
COC(=O)c1ccc([C@@H]2/C(=C(\O)c3ccc(Br)cc3)C(=O)C(=O)N2CCN2CCOCC2)cc1	102530067	KYFQSNGWTWOCPM-JBCNATCCSA-N	529.387	2.990	30	40	KFEB	
CC(=O)O[C@H]1C[C@H](O[C@H]2CC[C@]3(C=O)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)O[C@H](C)[C@H]1OC(C)=O	257199024	PHSBHTPVOGIRQM-KWXFYLEHSA-N	618.720	2.921	30	40	KFEB	
C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OCC(=O)OC)c(OCC)c2)C(C(=O)OCC)=C(C)N=3)cc1OC	409050585	XIULBPZVJASNEE-CWJUKMOQSA-N	620.680	2.769	30	40	KFEB	
COc1cc([N+](=O)[O-])ccc1NC(=O)[C@H]1CC(=O)N=C(N/N=C/c2cc(OC)c(OC)c(OC)c2)S1	8984014	BHHXSWNSMIBSEX-TYLRVVQJSA-N	517.520	2.580	30	40	KFEB	
COCCN1C(=O)C(O)=C(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@@H]1c1cccc(Cl)c1	9359661	DWTQXYKJCYXZHP-NRFANRHFSA-N	520.991	2.586	30	40	KFEB	
CCOC(=O)C1=C(CC)Nc2ccccc2N/C1=N\C(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1	12524863	LPVJVROGNKPBAT-UHFFFAOYSA-N	525.631	2.926	30	40	KFEB	
C=CCn1c(Cl)c(/C=N/NC(=S)NC[C@@H]2CCCO2)s/c1=N/S(=O)(=O)c1cccs1	3350512	BWGVGQARHAXYCQ-RQTSDFAYSA-N	506.100	2.717	30	40	KFEB	
O=C(Oc1ccc(/C=N/Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1)c1ccc(Cl)cc1	8856901	CEANXMYZHUXAEW-WPWMEQJKSA-N	523.981	2.863	30	40	KFEB	
COC(=O)c1ccccc1-c1ccc(/C=c2/s/c(=C(/C#N)C(=O)Nc3ccccc3F)n(CCN3CCOCC3)c2=O)o1	102963056	UWZQUFCEKSKRIK-PIVCKDGNSA-N	602.644	2.569	30	40	KFEB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCC#N)c3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1	408919527	AQARAGDHPUJDQH-YMSBRDKKSA-N	519.579	2.718	30	40	KFEB	
C[C@@H](NC(=O)CCC(=O)OCC(=O)[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(=O)O	2138091	HVVPPUPTQIHEMV-KWEOROAYSA-N	517.619	2.731	30	40	KFEB	biogenic
C=CCN1C(=O)NC(=O)/C(=C/c2cc(I)cc(I)c2OC)C1=O	8438216	IRDDFRDTAGGAMZ-POHAHGRESA-N	538.079	2.552	30	40	KFEB	
COc1ccc(OC)c([C@@H]2/C(=C(\O)c3c(C)nc4c(C)cccn34)C(=O)C(=O)N2CCN2CCOCC2)c1	102866529	ZHNOCHCCZUOUIX-ZZIWUOEGSA-N	520.586	2.722	30	40	KFEB	
CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(N(C)C)cc1OCC(=O)N1CCOCC1	409298301	WHIUVZOQRRGLMX-UHFFFAOYSA-N	542.434	2.907	30	40	KFEB	
COc1cc([C@H]2CC(=O)NC3=C2C(=O)[C@@]2(Oc4c(Cl)c(OC)cc(OC)c4C2=O)[C@H](C)C3)ccc1OCC(N)=O	524731569	CDBQAJWSBDFBFY-YRQPMEPRSA-N	570.982	2.711	30	40	KFEB	biogenic
C=CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)S/C1=N/c1ccc(S(=O)(=O)N2CCOCC2)cc1	16035337	LKVIZBBHSFXXAZ-JXDROGBKSA-N	514.629	2.854	30	40	KFEB	
CC1(C)CC(=O)C(/C=N/CCN2CCN([C@@H]3CC(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)CC2)C(=O)C1	100822330	HKLBIXBHTVJHEI-ZTAUZCEESA-N	521.445	2.888	30	40	KFEB	
COc1ccc(OC)c([C@H]2C(C(=O)c3c(C)nc4ccccn34)=C(O)C(=O)N2CCN2CCOCC2)c1	9007821	BOMUCOOZBKMRDB-DEOSSOPVSA-N	506.559	2.570	30	40	KFEB	
COc1ccc(CCNC(=O)Cn2c(=O)c3sccc3n(Cc3ccccc3C#N)c2=O)cc1OC	9598797	DVYSVKOQDNKURU-UHFFFAOYSA-N	504.568	2.521	30	40	KFEB	
C=CCNC1=C2C[C@H](C)C[C@H](OC)[C@H](O)[C@H](C)/C=C(\C)[C@H](OC(N)=O)[C@@H](OC)/C=C\C=C(/C)C(=O)NC(=CC1=O)C2=O	141425370	AYUNIORJHRXIBJ-PKBIOXJQSA-N	585.698	2.538	30	40	KFEB	
COCCN1C(=O)C(O)=C(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)[C@H]1c1ccc(O)c(OC)c1	38139749	KKQAOLNLGYUHGF-HSZRJFAPSA-N	530.599	2.800	30	40	KFEB	
CC(=O)N[C@@H]1[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](COC(C)=O)O[C@@H]1Oc1ccc(C(=O)/C=C/c2ccccc2)cc1	100849126	JSSYUFYKKJGNOD-BFXAMCFUSA-N	553.564	2.618	30	40	KFEB	
CCC(=O)O[C@]1(C(=O)COS(C)(=O)=O)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]3(F)[C@@H](O)C[C@@]21C	1570003482	LJIXIWVFIFXMTE-UBHHKPEDSA-N	526.623	2.841	30	40	KFEB	
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cc(OC)c(OC)cc2OC)c(O)c1	20309751	ULCGFSMJVFLKHA-QHCPKHFHSA-N	500.548	2.957	30	40	KFEB	
O=C(C[S@](=O)c1ccc(SC(F)(F)C(F)(F)C(F)(F)F)cc1[N+](=O)[O-])N[C@H]1CCS(=O)(=O)C1	102925940	LKUDWCXIBFHHEG-RKNYWZPTSA-N	546.464	2.888	30	40	KFEB	
C=CCN1C(=O)[C@@]2(C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCCN2CCOCC2)c2ccccc21	24147570	PIOATSOIOWIIMR-LJAQVGFWSA-N	501.583	2.982	30	40	KFEB	
COC(=O)COc1ccc(/C=C2/S/C(=N\c3cccc(C(=O)N4CCOCC4)c3)N(C)C2=O)cc1OC	409166136	BPCSXGKJCXQNFH-WAWHQBRESA-N	525.583	2.953	30	40	KFEB	
COc1cc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCN2CCOCC2)cc(OC)c1OC	20057698	LYGXXLIRPCRIMX-QFIPXVFZSA-N	500.523	2.762	30	40	KFEB	
CCOC(=O)[C@H](C)Oc1ccc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1I	409406093	PWNXJGVVECBNEB-TUEPYVCHSA-N	508.312	2.763	30	40	KFEB	
C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)COC(=O)CNC(=O)OC(C)(C)C)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12	70696854	KFJDXMDKSFHVDG-DHXFVQRASA-N	531.646	2.879	30	40	KFEB	biogenic
CO[C@@H]1[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](O)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)[C@@H](O[C@H]2CC[C@H](N(C)C)[C@H](C)O2)/C=C/C=C/C[C@@H](C)OC(=O)C[C@H]1OC(C)=O	256016226	ZPCCSZFPOXBNDL-RSMXASMKSA-N	885.102	2.896	30	40	KFEB	in-vitro
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1cc(Cl)c(OCC(=O)O)c(Cl)c1	408944068	GGBNDPWQBGHXPK-OVWWEBQFSA-N	611.435	2.977	30	40	KFEB	
O=C(Cc1ccccc1Cl)/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1NC(=O)Cc1ccccc1Cl	13624471	BYFYVPWSQILYRF-ZJHDJANISA-N	512.440	2.907	30	40	KFEB	
CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN2CCOCC2)cc1OC	15880038	JCZPHVMMSRJVSL-VWLOTQADSA-N	524.570	2.776	30	40	KFEB	
COc1cc(/C=N/N(CCC(=O)NC(C)(C)C)C2=NS(=O)(=O)c3ccccc32)ccc1OC(C)=O	22822657	HZFWAUNFIJLXOD-MFKUBSTISA-N	500.577	2.710	30	40	KFEB	
CN1CCC(=NNc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1	59489993	GVEQPWMVWPQIGH-UHFFFAOYSA-N	517.568	2.507	30	40	KFEB	
Cc1ccc(S(=O)(=O)N/N=C/c2ccc(/C=N/NS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)cc1[N+](=O)[O-]	33354799	JFFGEPUBYZDABG-RNIAWFEPSA-N	560.570	2.745	30	40	KFEB	
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCN2CCCC2)c(OC)c2c1OCO2	85413529	TZBDNLABQJHSLT-OAQYLSRUSA-N	524.526	2.835	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1ccc(C2CCN(C)CC2)c([N+](=O)[O-])c1	408952903	OGWPMJJDFUPNSA-IFPDJJBRSA-N	610.668	2.925	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1cc(Cl)c(OCC(=O)O)c(Cl)c1	408944067	GGBNDPWQBGHXPK-KYZRTJLLSA-N	611.435	2.977	30	40	KFEB	
CCCC(=O)O[C@@H]1[C@H](C)[C@@]2(O)[C@@H](C=C(CO)C[C@]3(O)C(=O)C(C)=C[C@@H]23)[C@H]2C(C)(C)[C@]21OC(=O)CCC	71789711	BQJRUJTZSGYBEZ-ADBXRUKGSA-N	504.620	2.632	30	40	KFEB	in-vitro
COc1ccc([C@H]2/C(=C(\O)c3c(C)nc4c(C)cccn34)C(=O)C(=O)N2CCN2CCOCC2)cc1OC	102856950	XRFYBNRRJUIONR-UVDRRRQGSA-N	520.586	2.722	30	40	KFEB	
COc1ccc(/C=N/NS(=O)(=O)c2ccc(C)cc2)cc1OS(=O)(=O)c1ccccc1[N+](=O)[O-]	408881963	PGWGBKAGPLWVSK-HYARGMPZSA-N	505.530	2.992	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1cc(Br)cc(OC)c1O	408957218	SKVODJIPBBHPCK-MKMNMNSVSA-N	593.431	2.684	30	40	KFEB	
COc1cc(OC)c2c(c1Cl)O[C@@]1(C(=O)C=C(N3C[C@]4(C)CN(C)C[C@](C)(C3)C4O)C[C@H]1C)C2=O	1547139760	ZWWRAHBBCPPOBH-JKDKSEPBSA-N	505.011	2.798	30	40	KFEB	biogenic
C#CCOc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc1OC	408809275	NRVSBLGFVVTVAL-MHWRWJLKSA-N	560.300	2.765	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1cc(I)c(OCC(=O)O)c(I)c1	408959354	ZKIFGGGMNQJLPV-JYBPRLPFSA-N	794.337	2.880	30	40	KFEB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/Nc3cc(N4CCOCC4)nc(N4CCOCC4)n3)cc2)cc1	408973225	XQPLMTLGZIPQDZ-ZXVVBBHZSA-N	538.630	2.672	30	40	KFEB	
COc1cc(/C=N/Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)ccc1OC(=O)c1cccc(Br)c1	6906838	JYJZHHNMCLMXQF-OGLMXYFKSA-N	598.458	2.981	30	40	KFEB	
CCOC(=O)c1[nH]c(C)c(C(=O)OCC(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCCCN3)cc2)c1C	12644430	KMXBBDNSCSAGTO-UHFFFAOYSA-N	518.592	2.855	30	40	KFEB	
COC1=C(C2=C(OC)C(=O)c3cc4c(c(O)c3C2=O)C(=O)O[C@H](C)C4)C(=O)c2c(cc3c(c2O)C(=O)O[C@H](C)C3)C1=O	14252762	WICHONPZVIYWIJ-NXEZZACHSA-N	574.494	2.560	30	40	KFEB	biogenic
C=CCN1C(=O)/C(=C/c2cc(I)c(NC)c(I)c2)C(=O)NC1=S	408903072	OTDZMADGYAGMLB-WEVVVXLNSA-N	553.163	2.750	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1cc(Cl)c(O)c(OC)c1	408959454	ZSLBYJBBBWZGMX-MKMNMNSVSA-N	548.980	2.575	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C\c1cn(C)c2ccccc12	408951859	NMVIMOYIZKVVPR-GOVMPBKZSA-N	521.574	2.699	30	40	KFEB	
COC[C@H](C)N1C(=O)[C@@H](CC(=O)Nc2ccccc2)S/C1=N\c1ccc(S(=O)(=O)N2CCOCC2)cc1	97982135	HTEJBTMOKVSZBV-HVJIYZOHSA-N	546.671	2.703	30	40	KFEB	
CC(C)(C)OC(=O)NCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Br)cc1F	101311675	NNYBUQUGRRPFTI-QDVZPWOHSA-N	522.418	2.714	30	40	KFEB	
COc1cc(C(=O)O[C@@H](C(=O)O)[C@@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)Nc2ccccc2C#N)ccc1OC(C)=O	409383182	UYXJUNPKNAKLMX-KAYWLYCHSA-N	634.550	2.900	30	40	KFEB	
O=C(O)COc1c(I)cc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1I	409402876	GKUKBHZYMLTLSO-FCIDVOKBSA-N	592.127	2.500	30	40	KFEB	
COc1ccc(S(=O)(=O)N/N=C\c2cc(I)cc(I)c2O)cc1	5496258	MJMNDURQLFZRLH-IUXPMGMMSA-N	558.135	2.922	30	40	KFEB	
CCOc1cc(C#N)c(NC(=O)c2ccc(OC)c(S(=O)(=O)N3CCN(C)CC3)c2)cc1OCC	36034657	ANAGBVHKJZAQHO-UHFFFAOYSA-N	502.593	2.553	30	40	KFEB	
COc1cc([C@H]2C(C(=O)c3c(C)nc4c(C)cccn34)=C(O)C(=O)N2CCN2CCOCC2)cc(OC)c1OC	97966890	QOKPZOHVLHLQQD-DEOSSOPVSA-N	550.612	2.887	30	40	KFEB	
COc1ccc(NC(=O)C[C@@H]2S/C(=N/c3ccccc3)N(CCN3CCOCC3)C2=O)c([N+](=O)[O-])c1	102962190	ZQARBZNSRLOOJW-PWKIUMOWSA-N	513.576	2.896	30	40	KFEB	
COc1cc(OC)c2c(c1Cl)O[C@]1(C(=O)/C(=C/NCc3nc(CS(=O)(=O)c4ccccc4)no3)C(=O)C[C@H]1C)C2=O	1547211103	NSWFILUDZQEVHG-OOAIPWCYSA-N	602.021	2.880	30	40	KFEB	
N#Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1cccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1	103085920	QOOOYDNQPNBMBE-UHFFFAOYSA-N	549.565	2.773	30	40	KFEB	
COc1ccc([N+](=O)[O-])cc1/C=N/Nc1nc(Nc2ccc([N+](=O)[O-])cc2)nc(N2CCN(C)CC2)n1	14921274	IBVBGTURZGBWRZ-OEAKJJBVSA-N	508.499	2.638	30	40	KFEB	
C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)cc3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1	1829564	DNUKWTKPHHFBQB-IGSWSUAKSA-N	506.580	2.990	30	40	KFEB	
COc1ccc2c3c1O[C@H]1[C@@]4(OC)C=C[C@]5([C@@H](C2)N(C)CC[C@]315)[C@H]1[C@@H]4C(OS(=O)(=O)c2ccc(C)cc2)=CS1(=O)=O	70665018	DCZYXTFPZNWWQB-SAFSCYAJSA-N	597.711	2.878	30	40	KFEB	biogenic
COCCN1C(=O)C(=O)/C(=C(/O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@@H]1c1ccc(Br)cc1	102552434	PTGPYULQEYAFIO-WOOAAIBNSA-N	523.405	2.768	30	40	KFEB	
C=CCN1C(=O)/C(=c2\sc3n(c2=O)[C@@H](c2ccccc2Cl)C(C(=O)OCCOC)=C(C)N=3)c2ccccc21	1813704	FQTVNLKDKUWSET-FEYWKWKCSA-N	550.036	2.981	30	40	KFEB	
COc1cc([C@@H]2/C(=C(\O)c3sc(C)nc3C)C(=O)C(=O)N2CCN2CCOCC2)cc(OC)c1OC	102485568	RZCFMXLXFLVIKR-YDJIHCHBSA-N	517.604	2.540	30	40	KFEB	
CCN(CC)S(=O)(=O)c1ccc(C(=O)C2=C(O)C(=O)N([C@H]3CCS(=O)(=O)C3)[C@H]2c2ccccc2F)cc1	98048219	DCPOZSFQZFQFDF-JTSKRJEESA-N	550.630	2.622	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1cc(Cl)c(O)c(OCC)c1	408955509	QNVZPFBMEHEVSN-PZGWMSGBSA-N	563.007	2.965	30	40	KFEB	
CO[C@@H]1[C@@H](O[C@@H]2O[C@H](C)[C@H](O[C@@H]3C[C@](C)(O)[C@H](O)[C@H](C)O3)[C@H](N(C)C)[C@@H]2O)[C@@H](CC=O)C[C@@H](C)[C@@H](O[C@@H]2CC[C@@H](N(C)C)[C@@H](C)O2)/C=C/C=C/C[C@@H](C)OC(=O)C[C@H]1OC(C)=O	575133001	ZPCCSZFPOXBNDL-ADPGGVQESA-N	885.102	2.896	30	40	KFEB	
CN(C)CCCN1C(=O)C(=O)/C(=C(/O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@H]1c1ccc(Cl)cc1	9008486	XJDDGKMFLNZXMP-JBCNATCCSA-N	506.024	2.964	30	40	KFEB	
CC(C)(C)OC(=O)NCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(OC(F)(F)F)cc1	32507590	INCKMMVLCNIIFE-YGEBYEJLSA-N	509.528	2.711	30	40	KFEB	
COc1ccc2[nH]c3c(=O)n(/N=C/c4ccc(OC)c(CN5C[C@@H]6C[C@H](C5)Cn5c6cccc5=O)c4)c(=O)[nH]c3c2c1	104075238	LFUNYVOCOLLFAW-MMYWBCBESA-N	566.618	2.852	30	40	KFEB	
CO[C@@H]1O[C@H](COS(=O)(=O)c2ccc(C)cc2)[C@@H]2OC(C)(C)O[C@@H]2[C@@H]1OS(=O)(=O)c1ccc(C)cc1	104148709	SILDFMCCOWIZCF-OOYIDZMOSA-N	542.628	2.674	30	40	KFEB	
COc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc([N+](=O)[O-])c1OCC(=O)N1CCOCC1	409278828	GVSOTOAEGYFMLA-UHFFFAOYSA-N	560.361	2.504	30	40	KFEB	
CC(C)(C)c1ccc(C(=O)N/C(=C/c2ccco2)C(=O)Nc2ccc(S(=O)(=O)N=C(N)N)cc2)cc1	13615087	JAKQPYGVYTZGEC-RCCKNPSSSA-N	509.588	2.949	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1cc(OC)c(OCC#N)cc1Br	408950161	MDBVDLTYSGEBNN-RKVFUIQRSA-N	632.468	2.881	30	40	KFEB	
O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1/N=C/c1cc(I)c(O)c(I)c1	408724152	GMUGQGOEJVVFTK-ZSFHDWOKSA-N	534.091	2.742	30	40	KFEB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OCC#N)c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409036946	CAZIKUPTDQBVFJ-LMVGNEGFSA-N	591.642	2.651	30	40	KFEB	
COc1ccc(/C=N/N=C2\NC(=O)[C@H](CC(=O)Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)S2)cc1OC	102449381	CJHAQZICVOMOIW-SYOQMXFQSA-N	559.670	2.829	30	40	KFEB	
COc1ccc(/C(O)=C2\C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1C	102864896	FEOUJKKFDGCYQG-SBXHHDGASA-N	526.586	2.783	30	40	KFEB	
CN1C(=O)/C(=C/c2ccc(OCC(=O)N3CCOCC3)cc2)SC1=Nc1ccc(N2CCOCC2)cc1	409243799	UMNWTUDRSPDJFI-QFQBBHSUSA-N	522.627	2.995	30	40	KFEB	
COC(=O)c1[nH]c(C)c(/C(O)=C2\C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccc(OC)c2OC)c1C	102490892	HKQLUNSASHGGBW-COUQNMRISA-N	541.601	2.579	30	40	KFEB	
COC(=O)c1ccc([C@H]2/C(=C(\O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCCn2ccnc2)cc1	102551128	ZASUBYWYPQBWAZ-AYWGPLOBSA-N	503.511	2.953	30	40	KFEB	
CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(OCC(N)=O)c(OC)c1	409320375	AYZBTBWUCKNKOK-UHFFFAOYSA-N	503.353	2.875	30	40	KFEB	
C=CCOc1c(/C=N\N[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cccc1OC	408955767	QSSHBXHSECSKIK-WSJKLEBUSA-N	554.600	2.781	30	40	KFEB	
CN(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCN2CCOCC2)cc1	20267771	OVWKEJKZURVFBD-VWLOTQADSA-N	507.587	2.824	30	40	KFEB	
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)c1C	97967147	DSIVPTVWLWZJQS-XMMPIXPASA-N	571.627	2.745	30	40	KFEB	
CO[C@@H]1O[C@H](COS(=O)(=O)c2ccc(C)cc2)[C@H]2OC(C)(C)O[C@@H]2[C@@H]1OS(=O)(=O)c1ccc(C)cc1	104148704	SILDFMCCOWIZCF-MHMIHQHRSA-N	542.628	2.674	30	40	KFEB	
N/N=C(\Cc1nc2ccc(C(=O)c3ccccc3)cc2nc1O)C(=O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	104291922	AXOIWUIQJOTEHX-ZTKZIYFRSA-N	515.442	2.879	30	40	KFEB	
C#CCOc1ccc(/C=N/N[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1Br	408958034	UVRHBLZULCUDBC-GCKFMUFSSA-N	601.454	2.982	30	40	KFEB	
C=CCn1c(=O)c2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2n(CC(=O)Nc2ccc(C)cc2)c1=O	2688222	NCXXJGGDKRQDIP-UHFFFAOYSA-N	526.549	2.955	30	40	KFEB	
C=CCNC(=S)N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1	16791076	LXMJZIUUICDSSX-YZSQISJMSA-N	510.645	2.544	30	40	KFEB	
CCOc1ccc(C(=O)NCC(=O)OCC(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCCCN3)c2)cc1OCC	97979339	WAUDTXUGHNVVOF-UHFFFAOYSA-N	574.656	2.647	30	40	KFEB	
Cc1ccc(S(=O)(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)OC(C)(C)C)cc1	161368885	FLQYXBIICKANBL-UHFFFAOYSA-N	740.906	2.598	30	40	KFEB	
C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)cc1	2301826	XJDZTQIZFNCFAA-LJJBLSSYSA-N	519.535	2.798	30	40	KFEB	
CCOC(=O)CC[C@H](NC(=O)c1ccc(N(CC[C@@H]2CO2)S(=O)(=O)c2ccc(C)cc2)cc1)C(=O)OCC	4974685	CYNSYJVXNPSCMX-VWNXMTODSA-N	546.642	2.984	30	40	KFEB	
CC(C)(C)OC(=O)NCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cccc(Br)c1	32634590	ITSLHUVABOHINT-NWCBFNCISA-N	504.428	2.575	30	40	KFEB	
C=CCN1C(=O)/C(=C/c2cc(Br)c(OCC(=O)OCC)c(Br)c2)C(=O)NC1=S	408903398	STRCQVHJXZGPBC-IZZDOVSWSA-N	532.210	2.966	30	40	KFEB	
C#C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@H](C(=O)N[C@H](C(=O)O)[C@H](C)O)C(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C	217346307	KADOLKXSZIQGGJ-DWTZNSMGSA-N	585.742	2.777	30	40	KFEB	
CO[C@H]1[C@H](O)[C@@H](O[C@H]2CC[C@@]3(C=O)[C@@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@@H](c5ccc(=O)oc5)CC[C@]43O)C2)O[C@@H](C)[C@H]1O	253498728	NYOVJCZRJINYSI-XMWPHQTPSA-N	560.684	2.927	30	40	KFEB	biogenic
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1ccc(O)c(Br)c1	408949385	LLGPXQAJBQTXOB-FJLGLVMOSA-N	563.405	2.675	30	40	KFEB	
Cc1cc(I)ccc1N/N=C1\C(=O)N(C(N)=S)N=C1c1ccc([N+](=O)[O-])cc1	13897095	LYCXGCNIEONVPU-QNGOZBTKSA-N	508.301	2.766	30	40	KFEB	
COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCN2CCOCC2)cc1OC	15952859	DHSQVGWIUXECKE-CRICUBBOSA-N	508.571	2.938	30	40	KFEB	
Cc1ccc(S(=O)(=O)OC([C@H]2OCOC[C@H]2OS(=O)(=O)c2ccc(C)cc2)[C@@H]2OCOC[C@@H]2OS(=O)(=O)c2ccc(C)cc2)cc1	150364087	WUKQZTARHPBQAQ-RLNDZLGPSA-N	698.790	2.980	30	40	KFEB	
C=CCOc1c(/C=N\N[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cccc1OC	408955765	QSSHBXHSECSKIK-POKFDZOHSA-N	554.600	2.781	30	40	KFEB	
C=CCn1cc(C(=O)NC(=O)NCCCCCOC(=O)CCCCCCCCCCC(=O)OCCCCCNC(=O)NC(=O)c2cn(CC=C)c(=O)n(C)c2=O)c(=O)n(C)c1=O	150436807	IQIPLOQYKKJSKF-UHFFFAOYSA-N	871.002	2.686	30	40	KFEB	
C=CCn1c(SCC(=O)Nc2ccc(C(=O)OCC)cc2)nnc1[C@H](CO)NC(=O)c1ccc(OC)cc1	408596674	UGMHPZRUIBHZLT-NRFANRHFSA-N	539.614	2.844	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1c(C)[nH]c2ccccc12	408955608	QRJWTILDFLTVAA-NJCZOMIOSA-N	521.574	2.997	30	40	KFEB	
C/C(=N\Nc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1cccc(Br)c1)c1ccc([N+](=O)[O-])cc1	18163673	ZVDBTDVUSLQNCU-BRJLIKDPSA-N	512.324	2.978	30	40	KFEB	
CCCCCCCCOc1ccc([C@@H](c2n(CCO)c(C)c(C)[n+]2[O-])C2C(=O)NC(=O)NC2=O)cc1	524734189	GPZBKNGITHJLEI-OAQYLSRUSA-N	500.596	2.584	30	40	KFEB	
C=CCN1C(=O)[C@@]2(C(C(=O)OCCCC)=C(N)OC(CC(=O)OCC)=C2C(=O)OCC)c2ccccc21	9695168	QQJVVTWNQSECOY-MHZLTWQESA-N	512.559	2.771	30	40	KFEB	
CC(C)(C)OC(=O)NCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(OC(F)(F)F)cc1	32507592	INCKMMVLCNIIFE-PCBDGJDSSA-N	509.528	2.711	30	40	KFEB	
Cc1ccc(S(=O)(=O)N/N=C(/c2nc3ccc([N+](=O)[O-])cc3nc2O)[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1	104291360	CTUJTVKFFGNKOR-VHAPMWFVSA-N	538.498	2.876	30	40	KFEB	
COC(=O)CC[C@@H](O)[C@@]1(C(=O)OC)CC(=O)c2c(cc3c(c2O)[C@H]2C=C[C@@]4(C3)C(=O)c3cc(C)cc(O)c3C(O)=C4C2=O)O1	514288166	SICSUAZJUCXREK-WLMRZXGASA-N	604.564	2.528	30	40	KFEB	biogenic,in-vitro
C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OC)c(=O)n2[C@H]1c1ccc(OC(C)=O)cc1	1887986	DCKQMKAJDJFGDE-FCKOQQNDSA-N	504.564	2.898	30	40	KFEB	
CN(CCO)c1ccc(/C=N/Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)Nc2ccccc2C(=O)O)cc1	12532258	JLJROIXJDZGXLO-BUVRLJJBSA-N	513.532	2.968	30	40	KFEB	
COc1ccc2c3c1O[C@H]1[C@@]4(OC)C=C[C@@]5([C@@H]6[C@H]4C(OS(=O)(=O)c4ccc(C)cc4)=CS6(=O)=O)[C@@H](C2)N(C)CC[C@]315	70665016	DCZYXTFPZNWWQB-NEPBVAKOSA-N	597.711	2.878	30	40	KFEB	biogenic
CN(CC(=O)Nc1ccc(OC(F)(F)F)cc1)CC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2)c1	97981605	GUNFYWMYFWKKDX-UHFFFAOYSA-N	527.525	2.565	30	40	KFEB	
COc1cc([C@@H]2/C(=C(\O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCCN(C)C)cc(OC)c1OC	102697860	HLLVGAPJVRWWMQ-ZHHPLPSFSA-N	512.559	2.857	30	40	KFEB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)c(OCC#N)c([N+](=O)[O-])c3)C2=O)o1	409399184	IGVHYJLTRYIEHD-QPEQYQDCSA-N	505.237	2.732	30	40	KFEB	
COc1cc(OC)c2c(c1Cl)O[C@]1(C(=O)/C(=C/N[C@H](CCS(C)(=O)=O)c3nc(-c4ccccn4)no3)C(=O)C[C@@H]1C)C2=O	1547203740	QXCGXFQFSDSUCG-AAXHCOEASA-N	631.063	2.944	30	40	KFEB	
COCCN1C(=O)C(O)=C(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)[C@@H]1c1cccc(O)c1	27988093	MIFUSTLZFUICFA-QFIPXVFZSA-N	500.573	2.792	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C\c1cc2c(cc1Cl)OCO2	408954351	PLBKKMFXTDZXCS-BBWWTVCLSA-N	546.964	2.589	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1cc(OC)c(O)cc1Br	408954386	PLMLXUBEBBMORF-YTLZXLKQSA-N	593.431	2.684	30	40	KFEB	
CC(C)(C)OC(=O)NCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Br)cc1	32635170	OMEJGSGNONIYFC-MYKXQOSBSA-N	518.455	2.965	30	40	KFEB	
COCCCn1/c(=N\C(=O)c2cc(OC)c(OC)c(OC)c2)c(C#N)cc2c(=O)n3cccc(C)c3nc21	102481494	AKDMZOCMVOINBR-KRUMMXJUSA-N	517.542	2.633	30	40	KFEB	
COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC#N)c(OC)c3)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC	408956721	ZMMKHFDSGPRPQI-VVOOWDFBSA-N	539.997	2.981	30	40	KFEB	
CCCCCCCN1C(=O)/C(=C/c2c(N3CCN(CCO)CC3)nc3ccccn3c2=O)SC1=S	100899141	MNPSVWOHCRCUGR-ZZEZOPTASA-N	515.705	2.980	30	40	KFEB	
C#CCOc1ccc(/C=N/N[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OCC	408944149	GLSAGGNVUINHFQ-ZXLOOTFSSA-N	566.611	2.618	30	40	KFEB	
CCCN1C(=O)[C@@]2(C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCN2CCOCC2)c2ccccc21	24193190	YDCJSVYLQWEIGX-ADSBAMQRSA-N	531.609	2.831	30	40	KFEB	
CN1C(=O)C(=Cc2cc(Br)c(OCC#N)c(I)c2)C(=O)N(C)C1=S	103856366	FQVBZIACISZFOF-UHFFFAOYSA-N	520.146	2.555	30	40	KFEB	
COC(=O)[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@@]21C	150402887	JYOBYKXWDWDTOD-FURAPDDHSA-N	684.739	2.627	30	40	KFEB	
CCN1C(=O)[C@@]2(C(C(=O)c3cccc(S(=O)(=O)N4CCCCC4)c3)=C(O)C(=O)N2CCCN(C)C)c2ccccc21	98046787	XLLXQUVUBOEDQG-PMERELPUSA-N	580.707	2.912	30	40	KFEB	
COc1cc([C@H]2/C(=C(\O)c3sc(C)nc3C)C(=O)C(=O)N2CCCN2CCOCC2)cc(OC)c1OC	102861176	DRDMKQHKKXUPJB-MRJHHRETSA-N	531.631	2.930	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C\c1cc(Br)ccc1OC(C)=O	408937874	ACBBPNLQXTYPKX-ZNEGETPVSA-N	605.442	2.895	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C\c1cc2c(cc1Br)OCO2	408957226	SMDKTADVMDLHNV-BBWWTVCLSA-N	591.415	2.698	30	40	KFEB	
COc1cc(/C=N/Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)ccc1OC(=O)c1ccccc1Cl	6906873	ZJROBHXMMKSSGN-OGLMXYFKSA-N	554.007	2.872	30	40	KFEB	
Cc1cc(=O)[nH]c(N/N=C\c2cc(C)n(-c3cc(S(=O)(=O)N4CCOCC4)ccc3N3CCCC3)c2C)n1	102985567	GDLOJSYWNPKSAL-PKAZHMFMSA-N	539.662	2.553	30	40	KFEB	
COC(=O)[C@@]1(C)CC2=C3C=C(C(=O)[C@@H](O)[C@]3(C)[C@H]3C[C@@H]23)[C@@](C)(C(=O)OC)CC2=C3C=C1C(=O)[C@@H](O)[C@]3(C)[C@H]1C[C@@H]21	1077996844	YSPXFYFVBVEVBW-IREBYWDYSA-N	548.632	2.784	30	40	KFEB	biogenic
COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN2CCCC2)c(OC)c2c1OCO2	100255758	KMKCGUULZACSRQ-QFIPXVFZSA-N	538.553	2.878	30	40	KFEB	
C#CCOc1c(Br)cc(/C=N/N[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OC	408945864	HVRMPCQKFIVPOY-BWABIVLKSA-N	631.480	2.990	30	40	KFEB	
C=CCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N(CCOC)CCOC)cc2)sc2cc(C(=O)OC)ccc21	100874249	YSEZGJYUNFFWBT-QPLCGJKRSA-N	547.655	2.700	30	40	KFEB	
CC1(C)CC(=O)C(/C=N/CCN2CCN([C@H]3CC(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)CC2)C(=O)C1	100822333	HKLBIXBHTVJHEI-LDWYRGJHSA-N	521.445	2.888	30	40	KFEB	
COC(=O)c1[nH]c(C)c(/C(O)=C2\C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(Br)cc2)c1C	102925292	NOHRUHLJEMINNX-OBVHCKHUSA-N	546.418	2.935	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C\c1cc([N+](=O)[O-])cc(Br)c1O	408949594	LQLXWNDAVACXHF-LNLADJJRSA-N	608.402	2.583	30	40	KFEB	
COC(=O)c1ccc([C@@H]2C(C(=O)c3cc(Cl)ccc3O)=C(O)C(=O)N2CCN2CCOCC2)cc1	20310357	OLFQDCNXWQSPKH-OAQYLSRUSA-N	500.935	2.743	30	40	KFEB	
C/C(NC(=O)[C@@H](Cc1c(C)[nH]c2ccccc12)NC(=O)[C](N)Cc1cnc[nH]1)=C(/O)N=C(Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O	1560410230	SIOSMQQREZTSFQ-APTUKUTFSA-N	884.035	2.815	30	40	KFEB	
CN(C)S(=O)(=O)c1ccc(/C(O)=C2\C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(Cl)cc2)cc1	102877509	LUHWWTWVMMEAAC-ZHHPLPSFSA-N	548.061	2.734	30	40	KFEB	
O=C(Oc1ccc(/C=N/Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1)c1cccc(Br)c1	8856903	MZESITZWPWVNPQ-WPWMEQJKSA-N	568.432	2.973	30	40	KFEB	
COc1cc([C@@H]2/C(=C(\O)c3cnn(-c4ccccc4)c3C)C(=O)C(=O)N2CCN2CCOCC2)cc(OC)c1OC	102526841	RFRYPZZRTNDTQG-CJJGVWJISA-N	562.623	2.960	30	40	KFEB	
CO[C@H]1C[C@H](O[C@@H]2CC[C@]3(/C=N/CCCO)[C@H]4CC[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@]5(O)[C@H]4CC[C@@]3(O)C2)O[C@H](C)[C@H]1O	257199221	WTQHODYWVQKVNY-ZCBYVEFESA-N	605.769	2.688	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1cc([N+](=O)[O-])ccc1N(CC)CC	408938465	ALKWCLVLIRVVOW-SVRGBRSRSA-N	584.630	2.962	30	40	KFEB	
O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1/N=C/c1cc(I)cc(I)c1O	409059734	XIZVPALZHPHAJJ-CEGUTDFZSA-N	560.129	2.988	30	40	KFEB	
Cc1c(C#N)c(NC(=O)COC(=O)CCCNC2=NS(=O)(=O)c3ccccc32)n(Cc2ccco2)c1C	32731994	OCWWNCKDDAOTFR-UHFFFAOYSA-N	523.571	2.619	30	40	KFEB	
COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCN2CCOCC2)cc(OC)c1OC	38140409	AVPLZNYCZADGQH-GKVSMKOHSA-N	538.597	2.946	30	40	KFEB	
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)[C@]12C(=O)N(C)c1ccccc12	101027190	ZULFSOQMDFYFNP-GDLZYMKVSA-N	566.680	2.522	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C\c1cc(Br)cc(OC)c1OC	408948662	KWKBUKCFRXNNAP-XFCWRSKXSA-N	607.458	2.987	30	40	KFEB	
COc1cc(OC)c2c(c1Cl)O[C@]1(C2=O)C(O)=C([C@@H](CC(=O)N[C@@H](C)C(N)=O)c2ccc3c(c2)OCO3)C(=O)C[C@H]1C	1547208816	XYWFFYNOPTZWFM-IEIXDFGESA-N	601.008	2.985	30	40	KFEB	
C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cccc(C(=O)OCC(=O)N[C@@H]2CCS(=O)(=O)C2)c1	103102715	ZARZJHKPCWZPLC-GOSISDBHSA-N	560.572	2.547	30	40	KFEB	
C#CCOc1ccc(/C=N/N[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1Br	408958036	UVRHBLZULCUDBC-LAEJIHLVSA-N	601.454	2.982	30	40	KFEB	
C#CCOc1ccc(/C=c2/sc3n(c2=O)[C@H](c2cccc(OC)c2OCC)C(C(=O)OCCOC)=C(C)N=3)cc1	408971821	QOOBLTBDBGJSLW-NQCZSQBNSA-N	562.644	2.844	30	40	KFEB	
CCC[C@@H]1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)COS(C)(=O)=O)O1	12875811	UNRWYSJKJKUNPJ-JWUWHIAWSA-N	508.633	2.701	30	40	KFEB	biogenic
COc1ccc2[nH]cc(CCN/C(=N\C(=S)NCCCN3CCOCC3)Nc3nc(C)cc(C)n3)c2c1	14158492	KBGLVCXQNGTDQB-UHFFFAOYSA-N	524.695	2.780	30	40	KFEB	
C=CCOC(=O)[C@H]1[C@@H](c2ccc(C(C)(C)C)cc2)[C@@H](C(=O)OCC=C)[C@@]2(C[C@@]1(C)O)NNC(=S)N2	33821849	USHMZOYLGMPHSA-CAXOALOFSA-N	501.649	2.592	30	40	KFEB	
CCOC(=O)[C@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)[C@@H](O)c1ccccc1	79216679	DGZOAZONTZPAPL-YOLBFKADSA-N	653.769	2.894	30	40	KFEB	biogenic
CCOC(=O)c1[nH]c(C)c(/C(O)=C2\C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(OC)cc2)c1C	102881837	ZGSTXVHECDQKOQ-UVDRRRQGSA-N	525.602	2.961	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1cc(Br)c(OCC(=O)OC)c(OCC)c1	408959112	YHTBPUDLXSAFGV-CPVPUQAFSA-N	679.521	2.920	30	40	KFEB	
COc1ccc([C@H]2C(C(=O)c3c(C)nc4c(C)cccn34)=C(O)C(=O)N2CCN2CCOCC2)cc1OC	8904326	MFRHUFSRGRYSIX-DEOSSOPVSA-N	520.586	2.879	30	40	KFEB	
CS(=O)(=O)O[C@@H]1[C@@H](OC(=O)c2ccccc2)O[C@@H](COC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1	5341343	VZIXNTWOWQCRAQ-NBCVKUGOSA-N	540.546	2.996	30	40	KFEB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OCC#N)c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409036942	CAZIKUPTDQBVFJ-JYXZFHPPSA-N	591.642	2.651	30	40	KFEB	
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NCc1ccncc1	70698604	XDXIGUCJSZNBRG-QBRHEHFTSA-N	550.652	2.600	30	40	KFEB	biogenic
CCOC(=O)c1[nH]c(C)c(/C(O)=C2\C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccc(OC)c2)c1C	102519942	MAXNRGIRISNCPM-ZZIWUOEGSA-N	525.602	2.961	30	40	KFEB	
C=CCOc1ccc(/C=N/N[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OC	408957420	SXUDEOMNJGEXRJ-MLPXVHMNSA-N	554.600	2.781	30	40	KFEB	
CC(C)C[C@H](NC(=O)[C@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@@]21C)C(C)C)C(=O)O	217346773	NHWZGIMDIXDYFH-ONCIHRGNSA-N	674.832	2.869	30	40	KFEB	
CO[C@H]1C[C@H](O[C@@H]2CC[C@]3(C#N)[C@H]4CC[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)O[C@H](C)[C@H]1O	257199030	PQYWNPQSYWMPGQ-UQIRJOPCSA-N	545.673	2.758	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1cc(OC)c(OCC(=O)OC)cc1Br	408948984	LFAFSQRIZGSNIQ-LOBFRZCMSA-N	665.494	2.530	30	40	KFEB	
COC1=C2C[C@H](C)C[C@H](OC)[C@H](O)[C@H](C)/C=C(\C)[C@@H](OC(=N)O)[C@H](OC)/C=C/C=C(\C)C(=O)NC(=C(O)C1=O)C2=O	514288000	JBGGGJXLNZQZKM-QPKNLGPOSA-N	576.643	2.708	30	40	KFEB	biogenic,in-vitro
CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@]23C(=O)N(CC)c2ccccc23)cc1	24147464	LNJURIMUROJGAJ-MUUNZHRXSA-N	505.571	2.517	30	40	KFEB	
CCc1ccc([C@@H]2C(C(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)=C(O)C(=O)N2CCCN2CCOCC2)cc1	98047957	ZRBRROGLNVNEIR-HHHXNRCGSA-N	583.707	2.571	30	40	KFEB	
CCOC(=O)COc1c(I)cc(/C=N\Nc2ccc([N+](=O)[O-])cn2)cc1OC	408749105	DLYOGHSLQSRMFB-ZBKNUEDVSA-N	500.249	2.991	30	40	KFEB	
CCOC(=O)COc1cc(Br)c(/C=N/N[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OC	408940896	CMNCMJKAGITLMV-XVTWQZNBSA-N	679.521	2.920	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C\c1cc(Cl)ccc1OCC#N	408945445	HOHBJUNXQLCKIT-DEKUJFBWSA-N	557.991	2.763	30	40	KFEB	
C#CCOc1c(I)cc(/C=C2/SC(=O)N([C@H](C)C(=O)OC)C2=O)cc1OC	409112668	FXSISOIEYVADSY-GMROUXNLSA-N	501.298	2.910	30	40	KFEB	
C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)cc3OC(C)=O)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1	1888206	IZWFEXRPBFRDPI-IYVASWNSSA-N	592.626	2.832	30	40	KFEB	
C=CCNC(=O)NC(=O)COC(=O)c1ccc(N2C(=O)c3cccc4c([N+](=O)[O-])ccc(c34)C2=O)cc1	3358554	YNEVZHASJBADFU-UHFFFAOYSA-N	502.439	2.717	30	40	KFEB	
CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@]23C(=O)N(C)c2ccccc23)cc1	20059196	AKJNBAXTTGRUBB-MUUNZHRXSA-N	505.571	2.517	30	40	KFEB	
C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)cc3OC)c(=O)n2[C@@H]1c1ccc(OC(C)=O)cc1	1782538	SHHVEIZECJFCTM-CBYYHRJHSA-N	534.590	2.907	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C\c1ccc(C)c(OC)c1	408940351	BXDOLCJKWXLXBB-AHEQEGGASA-N	512.563	2.524	30	40	KFEB	
COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC#N)cc3)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC	408944492	MRCFFKLNUCBUKO-ZRELAVNMSA-N	509.971	2.973	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1cc(Br)c(OCC#N)c(OC)c1	408944851	GXXDFCZXFUNHKA-IFFKDRNLSA-N	632.468	2.881	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C\c1cc(Br)cc([N+](=O)[O-])c1O	408956995	RYSXJLSNALXMGO-LVWFJTBXSA-N	608.402	2.583	30	40	KFEB	
COc1cc(/C=N/Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)ccc1OC(=O)c1cccc(I)c1	8386605	CVRFRVCPWAHFHD-OGLMXYFKSA-N	645.458	2.823	30	40	KFEB	
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(OC)c(OC)c2)c(O)c1	20309480	AJXWQYYTUUDVGX-XMMPIXPASA-N	512.559	2.719	30	40	KFEB	
COc1ccc(N2/C(=N\C(=O)CCNC(=O)OC(C)(C)C)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1Cl	32639357	OUYRYZWYMKAHHZ-BZNUFVSVSA-N	504.030	2.865	30	40	KFEB	
CCOc1cc(/C=N/Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	105668645	CGYNVNCFHXBTNE-MTDXEUNCSA-N	578.586	2.517	30	40	KFEB	
C#C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@H](CCC(N)=O)C(=O)O)CC[C@]4(C)[C@H]3CC[C@@]21C	118917684	RKAXLDHTTPHZOB-LOGNUOKVSA-N	513.635	2.521	30	40	KFEB	
C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(F)cc2)C(C(=O)OCC)=C(C)N=3)cc1OC	408802040	YGBQTKWDPQYTKN-FCKOQQNDSA-N	506.555	2.958	30	40	KFEB	
C=CCN1C(=O)N/C(=C/c2cc(I)c(OCC(=O)OCC)c(OCC)c2)C1=O	409129802	MIJUWZLBXKHLAE-NTEUORMPSA-N	500.289	2.711	30	40	KFEB	
C=CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)ccc3OC)c(=O)n2[C@@H]1c1ccc(OC(C)=O)cc1	100841635	PLECVCQHPRJNJO-XSZPGNIMSA-N	534.590	2.907	30	40	KFEB	
C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c4)c(=O)n32)cc1	408857603	VHBRPURONPMWNW-WLJFKGHSSA-N	566.548	2.885	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C\c1cc(I)c(OC(C)=O)c(OC)c1	408939240	BAPUSOMTKMWKTC-QHGCRHBNSA-N	682.468	2.746	30	40	KFEB	
CO[C@H]1C[C@H](O[C@H]2CC[C@]3(/C=N/O)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)O[C@H](C)[C@H]1O	70669839	PEPJAXXSCUKYOD-HMHREVCMSA-N	563.688	2.694	30	40	KFEB	biogenic
O=C(C[C@H]1S/C(=N\c2ccc(S(=O)(=O)N3CCOCC3)cc2)N(C[C@H]2CCCO2)C1=O)Nc1ccccc1	97982127	XAZJTXALIDBVNA-APOQHVOMSA-N	558.682	2.847	30	40	KFEB	
COc1ccc(C(=O)NCCCn2cc[n+](C3=C(NS(=O)(=O)c4ccccc4)C(=O)c4ccccc4C3=O)c2)cc1	2613199	BXJLUGQWCPPODD-UHFFFAOYSA-O	571.635	2.831	30	40	KFEB	
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@@H]1c1ccccc1	15880056	KIOWSYZNXOXWSD-DEOSSOPVSA-N	527.643	2.628	30	40	KFEB	
C=CCN(c1ccccc1OC)S(=O)(=O)c1cccc(C(=O)OCC(=O)N2C[C@H](C)O[C@H](C)C2)c1	15978973	YXMBEZZQPDRHPG-KDURUIRLSA-N	502.589	2.869	30	40	KFEB	
C=CCOc1ccccc1/C=N/N[C@@H](O)COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OCC	408938590	ATVJVILOKFGUEZ-HOCPYKBASA-N	524.574	2.772	30	40	KFEB	
C#CCOc1c(I)cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc1OCC	409133620	NKPXAZGOMRLAQX-SFQUDFHCSA-N	556.378	2.597	30	40	KFEB	
O=[N+]([O-])c1ccc(N2CCOCC2)c(/C=N/Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCCC2)c1	8809636	FNFFIMNGQJUVTI-XQNSMLJCSA-N	518.552	2.960	30	40	KFEB	
COC[C@@H](C)N1C(=O)[C@@H](CC(=O)Nc2ccccc2)S/C1=N\c1ccc(S(=O)(=O)N2CCOCC2)cc1	97982136	HTEJBTMOKVSZBV-OKCZUIDTSA-N	546.671	2.703	30	40	KFEB	
C=CCN1C(=O)[C@]2(/C(=C(\O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCCN(C)C)c2ccccc21	101253728	AOJGNCAVOICNLQ-LYJWTBIJSA-N	503.555	2.518	30	40	KFEB	
COC(=O)C[C@@H](c1c(O)ccc2c1O/C(=C/N1CCOCC1)C2=O)c1coc2ccc(OC)cc2c1=O	1081803918	QGASXIAVYTZGEM-NEIHUHTASA-N	507.495	2.951	30	40	KFEB	
O=C(c1ccc(Cl)c(/N=C2\N[C@H]3CS(=O)(=O)C[C@@H]3S2)c1)N1CCN(Cc2ccccc2)CC1	20618030	FKCJNBAOJILKEF-SFTDATJTSA-N	505.065	2.788	30	40	KFEB	
CCOC(=O)c1sc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c(C#N)c1C	22827107	CRXVCNOEHSGSOY-UHFFFAOYSA-N	503.562	2.977	30	40	KFEB	
CS(=O)(=O)O[C@@H]1[C@@H](OC(=O)c2ccccc2)OC[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1	104261616	MBBLDWQNHWZAHE-IQXSCUCBSA-N	540.546	2.996	30	40	KFEB	
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@@]2(O)C(=O)COC(=O)CCC(=O)NCc1cccnc1	118920337	RPCYENFQQJKDTO-OHQSNFDZSA-N	550.652	2.600	30	40	KFEB	
CSCC[C@@H](NC(=O)[C@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)C(C)C)C(=O)O	150344918	NFFAFKACCGSCKL-CQBNHGLPSA-N	692.872	2.576	30	40	KFEB	
COc1cc(/C=N\Nc2nc(=Nc3ccccc3)nc(N3CCOCC3)[nH]2)ccc1OCC(=O)OC(C)C	408600258	ASXRSZHFUZBOSK-YUMHPJSZSA-N	521.578	2.659	30	40	KFEB	
C=CCc1cc(/C=N/N[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)ccc1OC	408946806	IPAMTIYRIMJVDY-WOEPFXTOSA-N	538.601	2.944	30	40	KFEB	
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@]23C(=O)N(C)c2ccccc23)cc1	24147846	FXUWXUBZCOTCKV-LJAQVGFWSA-N	517.582	2.683	30	40	KFEB	
CC(=O)O[C@H]1[C@@H](C)C2=CC(=O)C3=C(O[C@@]4(C)CC[C@H]5O[C@@H](C(C)(C)O)C[C@@H](OC(C)=O)[C@@]5(C)[C@@H]4[C@H]3O)[C@@]23O[C@@H](C)[C@@]13C	252515686	MPCIDUFOTGXABA-YATBFYJCSA-N	588.694	2.921	30	40	KFEB	biogenic,in-vitro
CCOC(=O)COc1c(Br)cc(/C=N/N[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OC	408947741	JOVAQRCWRJQCBA-CAVNYTLZSA-N	679.521	2.920	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C\c1cc(I)cc(OC)c1OC	408956714	RRFGCOBXUJILRC-XFCWRSKXSA-N	654.458	2.829	30	40	KFEB	
C[C@H](NC(=O)CCC(=O)OCC(=O)[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(=O)O	2138090	HVVPPUPTQIHEMV-RDFWBMEQSA-N	517.619	2.731	30	40	KFEB	biogenic
COC(=O)c1[nH]c(C)c(/C(O)=C2\C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)c1C	102534154	JVTFBHMVPZODEE-ZZIWUOEGSA-N	571.627	2.588	30	40	KFEB	
CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N5C[C@@H](O)C[C@@H]5C(=O)O)CC[C@]4(C)[C@H]3CC[C@@]21C	8788795	XQSIZZYMZMLQIG-ROEWKJICSA-N	516.635	2.688	30	40	KFEB	
C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1	9339656	SYMRJBLVBUSFJQ-VZIOXZNFSA-N	521.551	2.890	30	40	KFEB	
CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N\OCC(=O)N[C@H](C(=O)O)[C@@H](C)O)CC[C@]4(C)[C@H]3CC[C@@]21C	85902476	AIIRGQACJUSJNF-BXEOEPTQSA-N	504.624	2.592	30	40	KFEB	
N#Cc1c(NC(=O)COC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCOCC2)sc2c1CCC2	103057108	BRXWRMWEUYBQMD-UHFFFAOYSA-N	558.682	2.915	30	40	KFEB	
COc1ccc([C@H]2C3=C(C[C@@H](C)[C@]4(Oc5c(Cl)c(OC)cc(OC)c5C4=O)C3=O)Nc3nc(N)nc(O)c32)cc1OCC(N)=O	1547139231	PTFGOYATYQYLBB-ZRQQYCQNSA-N	638.033	2.742	30	40	KFEB	
C=CCNC1=C2C[C@H](C)C[C@H](OC)[C@H](O)[C@H](C)/C=C(\C)[C@@H](OC(=N)O)[C@H](OC)/C=C\C=C(/C)C(=O)NC(=CC1=O)C2=O	521205711	AYUNIORJHRXIBJ-DXUZIUGFSA-N	585.698	2.952	30	40	KFEB	
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCN2CCOCC2)cc(OC)c1OC	97969598	DTYNHPIRBJSNMK-RUZDIDTESA-N	554.596	2.784	30	40	KFEB	
CO[C@H]1/C=C/C=C(/C)C(=O)NC2=CC(=O)C=C(C2=O)[C@H](OC)[C@@H](C)C[C@H](OC)[C@H](OC)[C@@H](C)/C=C(\C)[C@@H]1OC(N)=O	102201987	MCAHMSDENAOJFZ-TWYXGFFKSA-N	574.671	2.713	30	40	KFEB	
COc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc(I)c1OCC(N)=O	409296417	HXLVARJEHQUVPJ-UHFFFAOYSA-N	571.169	2.827	30	40	KFEB	
C=CCN1C(=O)[C@]2(C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCCN2CCOCC2)c2ccccc21	24147566	PIOATSOIOWIIMR-GDLZYMKVSA-N	501.583	2.982	30	40	KFEB	
C=CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(C)=O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)cc1	97968866	ITVVMTAZXZRDQR-KMBIYUNPSA-N	562.600	2.824	30	40	KFEB	
CC1(C)CC(=O)C(=CNCCN2CCN([C@@H]3CC(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)CC2)C(=O)C1	100541810	VCYYVKXTYFHQIY-HXUWFJFHSA-N	521.445	2.675	30	40	KFEB	
CCCN1C(=O)[C@@]2(/C(=C(\O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2C[C@H]2CCCO2)c2ccccc21	102892351	WDRGODIXEQAUIA-RLQWIRMNSA-N	504.539	2.969	30	40	KFEB	
COc1ccccc1N/N=C1/C=C/C(=N\C(=O)COC(=O)[C@@H](C)NS(=O)(=O)c2ccccc2F)C=C1C	103059794	MGJHCQNLYNJDTP-UQDJEIAKSA-N	528.562	2.996	30	40	KFEB	
C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N[C@@H](Cc1ccccc1)C(=O)O	118920412	QSQUMTHHMINFDZ-ILPDNQKESA-N	609.716	2.925	30	40	KFEB	
CCOC(=O)[C@@H](C)Oc1ccc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1I	409406088	PWNXJGVVECBNEB-RUUSSUOPSA-N	508.312	2.763	30	40	KFEB	
CCOC(=O)[C@H]1[C@@H](c2ccc(OC)c(O)c2)[C@@H](C(=O)OCC)/C(=N/NS(=O)(=O)c2ccc(C)cc2)C[C@]1(C)O	100239158	HQHWFPSAJVRMRN-JKOVDPOLSA-N	562.641	2.641	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C\c1cc(Cl)ccc1OC	408956040	RCMBRNMICKTBCN-LHAPWRFNSA-N	532.981	2.869	30	40	KFEB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC#N)c(OC)c3)c(=O)n2[C@H]1c1cc(OC)c(OC)c(OC)c1	408986388	QEZQYCLHTVGYHT-PLQXQRLBSA-N	579.631	2.735	30	40	KFEB	
CCCCN1C(=O)[C@]2(C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN(C)C)c2ccccc21	20357469	DUSNIMYCYQGQLC-MUUNZHRXSA-N	505.571	2.899	30	40	KFEB	
C=CCn1c(=O)/c(=C\c2ccc(Cl)cc2)s/c1=C(/C#N)c1nnc(N2CCOCC2)n1-c1ccccc1	105889437	GZEIQFMCOJIPDD-URXLWQTISA-N	531.041	2.718	30	40	KFEB	
C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OCC)c(OCC)c2)C(C(=O)OC)=CN=3)cc1	408933705	KFOGHKMZFULWBG-AIAVXMCLSA-N	518.591	2.828	30	40	KFEB	
CCOC(=O)Cn1cc(/C=N\N[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)c2ccccc21	408939343	BERIPWOIIPVTOZ-CVDLBZNZSA-N	593.637	2.725	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1ccc(O)c(I)c1	408945153	HINCNCXNOZFUCZ-SKALTOFESA-N	610.405	2.517	30	40	KFEB	
CC(C)OC(=O)COc1ccc(C=Nn2c(O)nc3ccccc3c2=O)cc1I	409361880	REFHSSSBCFRMPR-UHFFFAOYSA-N	507.284	2.919	30	40	KFEB	
COc1cc(OC)c2c(c1Cl)O[C@@]1(C(=O)C=C(Nc3ccc(-c4nnn(CCO)n4)cc3)C[C@H]1C)C2=O	604404193	KWCTXCGNSSJFNQ-SHZVTRLKSA-N	525.949	2.922	30	40	KFEB	biogenic
C[C@@H]1[C@@H](NC(=O)c2ccc(C#N)cc2)CC[C@]2(C)CC[C@H]([C@H](C)C(=O)NCCN3CCOCC3)[C@H](O)[C@@H]12	67898892	JEPLQQSQRWVWGH-AZCBIJCDSA-N	510.679	2.564	30	40	KFEB	biogenic,in-vitro
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1ccc(Cl)cc1	408950557	MHVQXVCORNGPLS-JXTZEJCMSA-N	502.955	2.861	30	40	KFEB	
COC(=O)[C@@]12C(=O)[C@](C)(O)C(=O)[C@@]1(C)C(C)=C[C@@H]1[C@@]3(C=O)CC[C@H](OC(C)=O)C(C)(C)[C@@H]3CC[C@]12C	118917199	VNBOCIKTDWMWMX-HCUKIZGPSA-N	502.604	2.984	30	40	KFEB	biogenic,in-vitro
C#CCOc1c(/C=N\N[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc(Br)cc1OC	408945325	HJIPRDJDQPTTCN-ZSGIBSASSA-N	631.480	2.990	30	40	KFEB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCC#N)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	408922565	FELOOLJZOHUEPT-FVIVVMBBSA-N	502.596	2.767	30	40	KFEB	
C=CCN1C(=O)[C@]2(C(C(=O)c3cccc(S(=O)(=O)N4CCCCC4)c3)=C(O)C(=O)N2CCN(C)C)c2ccccc21	98046815	XNVKAQKHXQCYQK-SSEXGKCCSA-N	578.691	2.688	30	40	KFEB	
COc1ccc(-c2cc(-c3ccco3)c(C#N)c(=O)n2[C@@H]2O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]2OC(C)=O)cc1	5808690	VMGHZVDHKNGKKJ-MCSYESGPSA-N	622.583	2.911	30	40	KFEB	
C[C@H](O)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OCC(=O)/C=C1/N(C)c2ccccc2C1(C)C	14359745	ZHTRCDTVRSTHJY-CSFMFCKPSA-N	507.008	2.792	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1cc(Br)c(OCC(=O)OC)c(OC)c1	408957916	UORKIPDKDYTDOF-CRNNCATQSA-N	665.494	2.530	30	40	KFEB	
COc1cc([C@@H](CC(=O)N[C@@H]2CONC2=O)C2=C(O)[C@@]3(Oc4c(Cl)c(OC)cc(OC)c4C3=O)[C@H](C)CC2=O)ccc1O	1547138530	MSAYYYCALAZFDN-ZNMFOPRBSA-N	617.007	2.526	30	40	KFEB	
CC(=O)OC[C@@H]1O[C@@H](n2c3c(cc(C#N)c2=S)CCCCC3)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	5537052	HXMIHEPUGIHUHJ-QCCYXRBGSA-N	534.587	2.614	30	40	KFEB	
COCCN1C(=O)C(O)=C(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@H]1c1ccc(Br)cc1	6079922	CSJGOAZEHSWMRI-LJQANCHMSA-N	523.405	2.924	30	40	KFEB	
C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)OCC(=O)N(C)[C@H]2CCS(=O)(=O)C2)ccc1Cl	17527582	HRNLWFKGRKKECI-IBGZPJMESA-N	559.037	2.663	30	40	KFEB	
COc1cc(OC)c(N2/C(=N\C(=O)CCNC(=O)OC(C)(C)C)S[C@H]3CS(=O)(=O)C[C@H]32)cc1Cl	101310290	KVPWAOHLOYRLFQ-VFMJBYFLSA-N	534.056	2.873	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1cc(Cl)c(OCC#N)c(OC)c1	408958724	WMYVUWFGLAQWLE-OZORCGAZSA-N	588.017	2.771	30	40	KFEB	
COc1ccc(-c2c(C#N)c(O)n([C@@H]3O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3OC(C)=O)c(=S)c2C#N)cc1	5540778	VQNSHERTLWENMD-DZBYEKKFSA-N	613.601	2.598	30	40	KFEB	
COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(OC)c(OC)c2)cc1OC	20171509	BFLRJLARRXSQFY-DEOSSOPVSA-N	512.559	2.632	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C\c1cc(Br)ccc1OC(C)=O	408937873	ACBBPNLQXTYPKX-WCEAEALDSA-N	605.442	2.895	30	40	KFEB	
O=C(C[S@@](=O)c1ccc(SC(F)(F)C(F)(F)C(F)(F)F)cc1[N+](=O)[O-])N[C@H]1CCS(=O)(=O)C1	102925942	LKUDWCXIBFHHEG-RWTXAPDVSA-N	546.464	2.888	30	40	KFEB	
CCOc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc([N+](=O)[O-])c1OCC(N)=O	409283591	JPCWWKBDVWKJON-UHFFFAOYSA-N	504.297	2.521	30	40	KFEB	
CC[C@@H]1OC(=O)C[C@@H](O)[C@@H](C)[C@@H](O[C@H]2O[C@@H](C)C[C@@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)C(=O)/C=C/[C@]2(C)O[C@@H]2[C@H]1C	60183197	IUPCWCLVECYZRV-AYBGKNAPSA-N	581.747	2.670	30	40	KFEB	
CSCC[C@@H](NC(=O)[C@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@@]21C)C(C)C)C(=O)O	217345782	NFFAFKACCGSCKL-RYPRAOHTSA-N	692.872	2.576	30	40	KFEB	
C#CCOc1c(I)cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc1OC	409398846	DQKTVSTXYBMCGV-DHDCSXOGSA-N	536.278	2.784	30	40	KFEB	
COc1ccc(OC)c([C@@H]2C(C(=O)c3c(C)nc4ccccn34)=C(O)C(=O)N2CCCN2CCOCC2)c1	8827100	RKLJLBKZBMKUSE-RUZDIDTESA-N	520.586	2.961	30	40	KFEB	
C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)OCC(=O)N[C@H]2CCS(=O)(=O)C2)ccc1Cl	103078295	HBWSVBFIVUAMBL-KRWDZBQOSA-N	561.465	2.835	30	40	KFEB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3OCC#N)c(=O)n2[C@H]1c1ccc(F)cc1	408808162	DXGGDLDROFXJPO-PZHBDVNGSA-N	507.543	2.848	30	40	KFEB	
COc1cc(/C=N/N/C(N)=N\[N+](=O)[O-])cc(I)c1OCc1ccc(Cl)cc1	16195503	OIMADDFFKOKFRJ-DNTJNYDQSA-N	503.684	2.962	30	40	KFEB	
CCN(CC)S(=O)(=O)c1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCS(=O)(=O)C3)[C@@H]2c2ccccc2F)cc1	98048216	DCPOZSFQZFQFDF-VGOFRKELSA-N	550.630	2.622	30	40	KFEB	
CCOc1cc(/C=N\Nc2ccc([N+](=O)[O-])cn2)cc(I)c1OCC(=O)OC	408910573	KVRWJSYJZRWWEP-ZBKNUEDVSA-N	500.249	2.991	30	40	KFEB	
COc1cc(/C=N\Nc2nc(=Nc3ccccc3)nc(N3CCCCC3)[nH]2)ccc1OCC(=O)N1CCOCC1	409205633	IYARJLNHVLYMDE-CEUNXORHSA-N	546.632	2.720	30	40	KFEB	
CCOc1ccc(CCNC(=O)Cc2ccc(/N=C3\N[C@@H]4CS(=O)(=O)C[C@H]4S3)cc2)cc1OCC	9530038	VZQLQGDRWSSHDF-NFBKMPQASA-N	517.673	2.875	30	40	KFEB	
COc1cc(/C=N/Nc2cc(N(C)C)nc(N(C)C)n2)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-]	16945641	PDZJIEKNBDVURF-OEAKJJBVSA-N	515.552	2.739	30	40	KFEB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OC)c3OCC#N)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409042765	XQLUJHXDRAWRDA-HTCWZNLXSA-N	621.668	2.660	30	40	KFEB	
COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2C[C@H]2CCCO2)c(OC)c2c1OCO2	85412816	JBCKALSKSCWBLU-VLIAUNLRSA-N	511.483	2.919	30	40	KFEB	
Cc1cc(Br)c(N2/C(=N/C(=O)CCC(=O)O)S[C@H]3CS(=O)(=O)C[C@@H]32)c(Br)c1	101240030	SFXGQULDYWYMND-XXCOKPDCSA-N	540.255	2.986	30	40	KFEB	
CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(OCC#N)cc4)c(=O)n32)cc1OCC	408936244	OUOCRECKPFPKPA-BJYRUZDYSA-N	519.579	2.718	30	40	KFEB	
CCOC(=O)[C@@H](C)Oc1c(C=Nn2c(O)nc3ccccc3c2=O)cc(Br)cc1[N+](=O)[O-]	409351486	WRLJSZCXNYJRJK-LLVKDONJSA-N	505.281	2.985	30	40	KFEB	
CC[C@H](C)[C@@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C)C(=O)O	70692136	YXDXMCGMVVZDHT-ASIXRLBOSA-N	573.683	2.936	30	40	KFEB	biogenic
N#C/C(C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1)=c1/s/c(=C/c2ccccn2)c(=O)n1-c1ccccc1F	102962957	LOKWGZZFWJQHKZ-PFCUTVSVSA-N	589.674	2.749	30	40	KFEB	
CCC(=O)O[C@H]1CC(=O)O[C@@H](C)C/C=C/C=C/[C@@H](O)[C@@H](C)C[C@@H](CC=O)[C@@H](O[C@H]2O[C@H](C)[C@H](O[C@H]3C[C@](C)(O)[C@H](OC(=O)CC)[C@H](C)O3)[C@H](N(C)C)[C@@H]2O)[C@@H]1OC	584577480	DMUAPQTXSSNEDD-HUISDRSJSA-N	813.979	2.767	30	40	KFEB	
C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2cc(OC)ccc2OC)C(C(=O)OCC)=C(C)N=3)cc1	408927564	QGYKONOHBSNAQF-LWUPDDLQSA-N	518.591	2.828	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1cc(I)c(OCC(=O)OC)c(I)c1	408944838	GXLFULDNDAGAND-GRLLSRNWSA-N	808.364	2.968	30	40	KFEB	
CCOc1ccc(CCNC(=O)c2ccc(/N=C3/N[C@@H]4CS(=O)(=O)C[C@@H]4S3)cc2)cc1OCC	2959483	VPHRVYADHLHMOF-KNQAVFIVSA-N	503.646	2.946	30	40	KFEB	
C#CCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)sc2cc(S(N)(=O)=O)ccc21	100875737	TXDHDEBCQMAWPR-LCUIJRPUSA-N	540.648	2.550	30	40	KFEB	
C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4cccc(OCC(=O)O)c4)c(=O)n32)cc1	408854262	BCOHCOSBEWDNDJ-BQKWAYIGSA-N	534.590	2.827	30	40	KFEB	
CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@H](C(=O)O)[C@@H](C)O)CC[C@]4(C)[C@H]3CC[C@@]21C	8788936	AIIRGQACJUSJNF-IYSCIUMRSA-N	504.624	2.592	30	40	KFEB	
C=CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OC)c3OC)c(=O)n2[C@H]1c1ccc(OC)cc1	19800529	GXEGFCDDLBVSOD-QFVBLGFASA-N	506.580	2.990	30	40	KFEB	
CCOc1ccccc1/C=N\N[C@H](O)COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OCC	408944525	GSYQIJVZFLSYGW-DFHQVAGFSA-N	512.563	2.606	30	40	KFEB	
COc1ccc(-c2c(C#N)c(N)n([C@@H]3OC[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]3OC(C)=O)c(=S)c2C#N)cc1	5540603	ZMIHKEJUFMRJSB-IEEQIXEPSA-N	540.554	2.543	30	40	KFEB	
CCN1C(=O)[C@@]2(C(C(=O)c3ccc(S(=O)(=O)N4CCCCCC4)cc3)=C(O)C(=O)N2CCN(C)C)c2ccccc21	98046925	AZXSXKVRBWXXRZ-PMERELPUSA-N	580.707	2.912	30	40	KFEB	
O=C1Nc2ccccc2/C1=N/Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	103766090	NVXGZZUQJVHZLV-UHFFFAOYSA-N	551.541	2.782	30	40	KFEB	
CCCCCCCCC(=O)Nc1nc(O)c2ncn([C@H]3O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]3OC(C)=O)c2n1	104126068	PXUPTAOZYHRXCC-VDEVERMRSA-N	549.581	2.545	30	40	KFEB	
CCOC(=O)COc1c(/C=N\N[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc(I)cc1OC	408958789	WTFBSAZSVZKJJF-IHWMPTITSA-N	726.521	2.762	30	40	KFEB	
COc1cc(/C=N/Nc2cc(N3CCOCC3)nc(N3CCOCC3)n2)ccc1OC(=O)c1ccc(F)cc1	408970235	DCZJPUIXXFAMMH-RDRPBHBLSA-N	536.564	2.963	30	40	KFEB	
COC(=O)[C@@H](C)Oc1c(I)cc(C=Nn2c(O)nc3ccccc3c2=O)cc1OC	409354577	IGEFFBSIKMNXCS-LLVKDONJSA-N	523.283	2.538	30	40	KFEB	
COc1ccc(OC)c([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCN2CCOCC2)c1	8827758	MASXLGARJWOYQD-VWLOTQADSA-N	524.570	2.776	30	40	KFEB	
CC(C)(C)OC(=O)NCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C	70692185	IACALMMWQADCHJ-YYBXSYQRSA-N	517.619	2.633	30	40	KFEB	biogenic
CCC(=O)O[C@H]1[C@H](C)O[C@@H](O[C@@H]2[C@@H](C)O[C@@H](O[C@@H]3[C@@H](OC)[C@H](OC(=O)CC)CC(=O)O[C@H](C)C/C=C/C=C/[C@H](O)[C@H](C)C[C@@H]3CC=O)[C@H](O)[C@H]2N(C)C)C[C@@]1(C)O	169368401	DMUAPQTXSSNEDD-QALJCMCCSA-N	813.979	2.767	30	40	KFEB	
CC(=O)O[C@H]1[C@H](CO[C@H]2O[C@@H](C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]2OC(C)=O)O[C@@H](O[C@@H]2CC[C@]3(C=O)[C@@H]4CC[C@]5(C)[C@H](c6ccoc(=O)c6)CC[C@]5(O)[C@H]4CC[C@@]3(O)C2)[C@H](OC(C)=O)[C@H]1OC(C)=O	257347140	VEYKKASUDGUTGW-VISDIJMBSA-N	977.019	2.637	30	40	KFEB	
CCOc1ccccc1/C=N\N[C@H](O)COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OCC	408944529	GSYQIJVZFLSYGW-HZXBEXEUSA-N	512.563	2.606	30	40	KFEB	
C#CCOc1ccc([N+](=O)[O-])cc1/C=c1/sc2n(c1=O)[C@@H](c1ccc(C)c([N+](=O)[O-])c1)C(C(=O)OCC)=C(C)N=2	105362899	BKVTXZWTHXFTJN-XPCGLTFESA-N	562.560	2.935	30	40	KFEB	
CCC[C@H]1O[C@@H]2C[C@@H]3[C@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@H]4[C@@H](O)C[C@]3(C)[C@@]2(C(=O)COS(C)(=O)=O)O1	253501045	UNRWYSJKJKUNPJ-XDWRONSRSA-N	508.633	2.701	30	40	KFEB	
CC(=O)OC[C@H]1O[C@@H](O[C@H]2[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](Oc3ccc(C(=O)/C=C\c4ccccc4)cc3)O[C@@H]2COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	575626957	GPLLQPQOBZZNNJ-PHHKLWOQSA-N	842.800	2.581	30	40	KFEB	
C=CCOC(=O)C1=C(C)N=c2s/c(=C3/C(=O)N(CC)c4ccccc43)c(=O)n2[C@H]1c1ccc(OC(C)=O)cc1	100773471	NNJDEWRYFOTARK-NXLSWJSLSA-N	543.601	2.626	30	40	KFEB	
COC(=O)c1[nH]c(C)c(/C(O)=C2\C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(OC)c(OC)c2)c1C	102930586	ZAWCDLWQYWRMCB-UVDRRRQGSA-N	541.601	2.579	30	40	KFEB	
COc1cc(/C=N/NS(=O)(=O)c2ccc(C)cc2)ccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1	408765378	PFNRXHCKFIRYTO-HYARGMPZSA-N	505.530	2.992	30	40	KFEB	
CN1C(=O)[C@]2(C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCCN2CCOCC2)c2ccccc21	97939529	RERMUXIDMZSDKJ-AREMUKBSSA-N	540.414	2.880	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C\c1cc(I)cc(OC)c1OCC#N	408956585	RNLZGNLRSGDLQN-AJGOVQJNSA-N	679.468	2.723	30	40	KFEB	
N#Cc1cc(C#N)c(SCC(=O)Nc2ccc(NC(=O)CSc3nc(N)c(C#N)cc3C#N)cc2)nc1N	33355552	SXTNATCKXWQLOJ-UHFFFAOYSA-N	540.594	2.589	30	40	KFEB	
COc1ccc(NC(=O)C[C@@H]2S/C(=N/c3ccc4c(c3)OCO4)N(CCN3CCOCC3)C2=O)c([N+](=O)[O-])c1	102924109	OXEBXVJCTAMSCI-OZSVZHKOSA-N	557.585	2.625	30	40	KFEB	
O=[N+]([O-])c1ccc(Oc2cccc(/C=N/Nc3nc(N4CCOCC4)nc(N4CCOCC4)n3)c2)c([N+](=O)[O-])c1	105622037	FBYXOALFIQODJG-PCLIKHOPSA-N	551.520	2.600	30	40	KFEB	
C=CCn1c(CNC(=O)c2ccco2)nnc1SCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O	57291675	QZFYAGRQADBDDZ-UHFFFAOYSA-N	507.576	2.516	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1ccccc1Br	408938526	AOLXUPNXPKHFGN-GSKHPKCTSA-N	547.406	2.970	30	40	KFEB	
COc1cc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)Nc2ccc(C#N)cc2)ccc1OC(C)=O	409385845	KIJNFQGQLGPFHK-SVBPBHIXSA-N	634.550	2.900	30	40	KFEB	
O=[N+]([O-])c1cc(S(=O)(=O)NCc2ccco2)cc2c1-c1c(cc(S(=O)(=O)NCc3ccco3)cc1[N+](=O)[O-])C2=NO	8434810	DHEGMOZLTFMXAN-UHFFFAOYSA-N	603.547	2.853	30	40	KFEB	
N#Cc1ccc(CN2C[C@@H]3C[C@H]2C(=O)NC[C@H]2O[C@H](CCOc4cc(-c5ccncc5)ccc4C(=O)N3)CC[C@@H]2O)cc1	514287417	AKJIYBIWZFFMRQ-NZFNEECCSA-N	581.673	2.800	30	40	KFEB	
COc1ccc(/C=N/N(CCC(=O)NC(C)(C)C)C2=NS(=O)(=O)c3ccccc32)cc1OC(C)=O	22822663	ZPQMUJXUZJHTMV-MFKUBSTISA-N	500.577	2.710	30	40	KFEB	
CC(=O)OC[C@@H]1O[C@@H](n2c(O)c(C#N)c(-c3ccccc3)c(C#N)c2=S)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	5540756	WAQNEQMHDHKLFT-GPXGYFQOSA-N	583.575	2.589	30	40	KFEB	
C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4cc(OC)c(O)c([N+](=O)[O-])c4)c(=O)n32)cc1	408853056	KYXUSUWIALVFNT-CVGPFBNFSA-N	551.577	2.986	30	40	KFEB	
C#CCOc1c(Br)cc(/C=N\N[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1[N+](=O)[O-]	408958302	VMUWRIMGOKQJKM-DEKUJFBWSA-N	646.451	2.890	30	40	KFEB	
C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N(C3CCCCC3)[C@H]3CCS(=O)(=O)C3)nnc12	12546957	IMYXPNIUUYRCMF-SFHVURJKSA-N	515.661	2.671	30	40	KFEB	
CCCN1C(=O)[C@@]2(C(C(=O)c3ccc(OCC)cc3)=C(O)C(=O)N2CCN2CCOCC2)c2ccccc21	24147442	ZTSVTJOPPQHQPH-LJAQVGFWSA-N	519.598	2.907	30	40	KFEB	
COc1cc(OC)c2c(c1Cl)O[C@]1(C(=O)/C(=C\NCc3nc(CS(=O)(=O)c4ccccc4)no3)C(=O)C[C@H]1C)C2=O	1547211101	NSWFILUDZQEVHG-GFTUSNJUSA-N	602.021	2.880	30	40	KFEB	
Cc1c(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc([N+](=O)[O-])cc2)cnn1-c1ccccc1	8897261	KHPUFEGJLWGEHQ-DEOSSOPVSA-N	517.542	2.999	30	40	KFEB	
CCOc1ccc(CCNC(=O)Cc2ccc(/N=C3\N[C@H]4CS(=O)(=O)C[C@H]4S3)cc2)cc1OCC	9530039	VZQLQGDRWSSHDF-NZQKXSOJSA-N	517.673	2.875	30	40	KFEB	
CCCN1C(=O)/C(=N\Nc2nc3c(c(=O)[nH]c(=O)n3C)n2C[C@@H](O)COc2ccc3ccccc3c2)c2ccccc21	97969335	XOZQQEGOQPDCFW-JVFYOOBISA-N	567.606	2.589	30	40	KFEB	
CC(=O)Oc1c(C)c2c(O)c3c1C1=C(OCOC1=C(C)C3=O)C(C)=C[C@](C)(O)[C@H](O)[C@H](C)[C@H](O)[C@H]1C(=O)O[C@@H]([C@H](C)[C@H]1O)[C@@](C)(O)C=CC=C(C)C(=O)N2	254093037	LMKBJVKXRKQNGU-VSTOECSZSA-N	753.798	2.611	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1ccc(OC)cc1C	408940826	CKPLBFZBQXEINJ-CZYGPWSVSA-N	512.563	2.524	30	40	KFEB	
CCOc1cc(/C=N/N[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)ccc1OCC#N	408946219	IGTJLZVNWMIXNP-LDTLGUNKSA-N	567.599	2.508	30	40	KFEB	
COc1ccccc1N/N=C1/C=C/C(=N\C(=O)COC(=O)[C@H](C)NS(=O)(=O)c2ccccc2F)C=C1C	585139580	MGJHCQNLYNJDTP-ZDVOLGEZSA-N	528.562	2.996	30	40	KFEB	
CCOC(=O)[C@@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)[C@@H](O)c1ccccc1	79216680	DGZOAZONTZPAPL-LXAGUDLBSA-N	653.769	2.894	30	40	KFEB	biogenic
C=CCN1C(=O)[C@]2(C(C(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)=C(O)C(=O)N2CCN(C)C)c2ccccc21	98046886	GQYTVHKRFPJNGX-SSEXGKCCSA-N	578.691	2.688	30	40	KFEB	
C=CCN1C(=O)[C@@]2(C(C(=O)c3cccc(S(=O)(=O)N4CCCCC4)c3)=C(O)C(=O)N2CCN(C)C)c2ccccc21	98046816	XNVKAQKHXQCYQK-PMERELPUSA-N	578.691	2.688	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1ccc(Br)cc1	408943426	FQSMJPPLZGRZOU-GSKHPKCTSA-N	547.406	2.970	30	40	KFEB	
C=CCN1C(=O)N/C(=C/c2cc(Br)c(OCC(=O)O)c(I)c2)C1=O	409123087	DSXPCCPRIPTYNB-IZZDOVSWSA-N	507.078	2.596	30	40	KFEB	
COc1cc([C@@H](C)OC(=O)ON2C(=O)CCC2=O)c([N+](=O)[O-])cc1OCCCC(=O)NCCOCCOCCOCCOc1ccc(-c2nnc(C)nn2)cc1	575409784	FYXJZLYXHCHOII-HSZRJFAPSA-N	785.764	2.841	30	40	KFEB	
CCOC(=O)[C@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)[C@H](O)c1ccccc1	79216675	DGZOAZONTZPAPL-HCJFPOKNSA-N	653.769	2.894	30	40	KFEB	biogenic
CN(C)S(=O)(=O)c1ccc(/C(O)=C2\C(=O)C(=O)N(CCN3CCCCC3)[C@H]2c2ccc(F)cc2)cc1	102930454	NBKUHIUUFPUTDN-AYWGPLOBSA-N	515.607	2.984	30	40	KFEB	
C[C@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O	150405302	DFRXHIAUDQUDMM-CKFSRKILSA-N	719.832	2.911	30	40	KFEB	
C#CCOc1c(Br)cc(/C=N/N[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OC	408945871	HVRMPCQKFIVPOY-UHSBKBDLSA-N	631.480	2.990	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1cc(Br)c(O)c(OC)c1	408952871	OEXYOUJXQRNMER-UWHXHJIVSA-N	593.431	2.684	30	40	KFEB	
O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)C(F)(F)[C@@]1(F)OC(F)(F)C(F)(F)C1(F)F	3172048	AZWPGRNIWJOHFP-OAHLLOKOSA-N	516.338	2.841	30	40	KFEB	
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCN2CCOCC2)cc1	15837206	GEDKEPRDBXBTQE-OSPHWJPCSA-N	506.555	2.707	30	40	KFEB	
COc1cc(/C=N/Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)ccc1OCc1ccc(F)cc1	59418290	WIMYQTUEYBDQBP-OGLMXYFKSA-N	523.569	2.718	30	40	KFEB	
CCc1ccc([C@@H]2C(C(=O)c3cccc(S(=O)(=O)N(C)C)c3)=C(O)C(=O)N2CCCN2CCOCC2)cc1	98047929	JOYZVCNTTBZIKJ-RUZDIDTESA-N	541.670	2.800	30	40	KFEB	
C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)S/C1=N/c1ccc(S(=O)(=O)N2CCOCC2)cc1	102961174	XWTBRGXMMWSWFQ-BPMVYWJCSA-N	532.619	2.993	30	40	KFEB	
CC(=O)N[C@H]1[C@H](Oc2ccc(C(=O)/C=C/c3ccccc3)cc2)O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	195528678	JSSYUFYKKJGNOD-CUCWAJCUSA-N	553.564	2.618	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C\c1cc(I)cc(OC)c1OC	408956703	RRFGCOBXUJILRC-BNFQWOKNSA-N	654.458	2.829	30	40	KFEB	
Cc1nc2c(C)cccn2c1C(=O)C1=C(O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccc([N+](=O)[O-])cc1	8826994	WBENYFHYTJCRJW-JOCHJYFZSA-N	505.531	2.770	30	40	KFEB	
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccc(OC)c2OC)c1C	97953967	IBPFKDNYPCKFIT-QHCPKHFHSA-N	541.601	2.736	30	40	KFEB	
CCCN(C(=O)CO/N=C/C(=O)Nc1cccc(C(F)(F)F)c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	97980116	WUXCEPAKLVOLMF-VVEOGCPPSA-N	546.506	2.570	30	40	KFEB	
COc1ccc(OC)c([C@H]2/C(=C(\O)c3c(C)nc4c(C)cccn34)C(=O)C(=O)N2CCN2CCOCC2)c1	102866527	ZHNOCHCCZUOUIX-UVDRRRQGSA-N	520.586	2.722	30	40	KFEB	
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)C(C)C)C(=O)O	150344962	NHWZGIMDIXDYFH-RKASGTPBSA-N	674.832	2.869	30	40	KFEB	
CCOC(=O)COc1ccc(Cl)cc1/C=N\N[C@@H](O)COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OCC	408951432	NGLSWZCHAQTBFV-YVDXJWROSA-N	605.044	2.802	30	40	KFEB	
COC[C@@H](C)N1C(=O)[C@@H](CC(=O)Nc2ccccc2)S/C1=N\c1cccc(S(=O)(=O)N(C)C)c1	12661088	IIDAGCAMQLDBKX-RCWHSEFPSA-N	504.634	2.932	30	40	KFEB	
Cc1ccc([C@H]2C(C(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)=C(O)C(=O)N2CCCN(C)C)cc1	16742421	AKROSUHNUYNUIX-DEOSSOPVSA-N	527.643	2.546	30	40	KFEB	
CC(C)(CNC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C)[C@H](O)C(=O)O	70698363	MMZHKHGTQIESKL-JAJOPJLJSA-N	575.699	2.730	30	40	KFEB	biogenic
C=CCOc1c(I)cc([C@H]2CC(=O)N=C3N=CNN32)cc1I	409387842	SBQUMCMWTQYJGR-LLVKDONJSA-N	522.084	2.637	30	40	KFEB	
CC(C)(C)OC(=O)NCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(Br)c1	32634588	ITSLHUVABOHINT-LFCDXNAJSA-N	504.428	2.575	30	40	KFEB	
CO[C@@]1(C)O[C@H](COS(=O)(=O)c2ccc(C)cc2)[C@H](COS(=O)(=O)c2ccc(C)cc2)O[C@@]1(C)OC	97952927	CIZLVXBAALAMNQ-NVPYSNMXSA-N	544.644	2.923	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C\c1ccc(C)c(OC)c1	408940358	BXDOLCJKWXLXBB-VZOVANTCSA-N	512.563	2.524	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C\c1cc(Br)ccc1O	408959146	YMLOFNKBQLBAGM-FBGZPKQPSA-N	563.405	2.675	30	40	KFEB	
CCNC(=S)N/N=C/c1cc(I)c(OCC(=O)OCC)c(I)c1	409373573	UZOQLMAAZZUQPC-CNHKJKLMSA-N	561.183	2.656	30	40	KFEB	
CCOC(=O)c1sc(NC(=S)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c(C#N)c1C	8833027	QBUUIUNFEPKFFP-UHFFFAOYSA-N	503.562	2.977	30	40	KFEB	
COC(=O)c1[nH]c(C)c(/C(O)=C2\C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(OC)cc2)c1C	102517781	JMUAMRXDRRZERS-BUANBSPESA-N	511.575	2.571	30	40	KFEB	
C#C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@@H](C(=O)N5C[C@@H](O)C[C@@H]5C(=O)O)C(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C	118921203	CISVREYUELBLRR-UIOHIVRUSA-N	597.753	2.873	30	40	KFEB	
CC1=C([S+]=C2C[C@@H](C(=O)N(C)C)N(C(=O)OCc3ccc([N+](=O)[O-])cc3)C2)/C(=C(\O)OCc2ccc([N+](=O)[O-])cc2)N2C(=O)[C@H]([C@@H](C)O)[C@@H]12	1560408762	GMHHFFDDVGNNSY-DNKHPXJPSA-O	696.715	2.996	30	40	KFEB	
O=C(/N=c1\sc2nc3ccccc3nc2n1N(C(=O)C(F)(F)F)C(=O)C(F)(F)F)C(F)(F)F	104456205	ULFAZDRWXVEJKQ-PPDIBHTLSA-N	505.278	2.751	30	40	KFEB	
C#CCOc1c(/C=c2\sc3n(c2=O)[C@@H](c2ccc(F)cc2)C(C(=O)OCC)=C(C)N=3)cccc1OC	408805908	IFKUOSIVJLAINZ-RNHBDSLOSA-N	506.555	2.958	30	40	KFEB	
C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)cc3OC(C)=O)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1	1888198	IZWFEXRPBFRDPI-ORVZPOCUSA-N	592.626	2.832	30	40	KFEB	
C=CCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3CCCC[C@H]3C)cc2)sc2cc(S(N)(=O)=O)ccc21	100874798	RFKGOFBDAQHTRM-IEQXMEILSA-N	534.685	2.840	30	40	KFEB	
COc1ccc(/C(O)=C2\C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1OC	102925002	NAPIEJFUUHAMCB-ZHHPLPSFSA-N	511.531	2.756	30	40	KFEB	
Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(N(C)C)cc1OCC(=O)N1CCOCC1	409308946	ZTFHLGYNMIQPEB-UHFFFAOYSA-N	528.407	2.653	30	40	KFEB	
COC[C@@H](C)N1C(=O)[C@H](CC(=O)Nc2ccccc2)S/C1=N\c1ccc(S(=O)(=O)N2CCOCC2)cc1	97982134	HTEJBTMOKVSZBV-IAYWTGDDSA-N	546.671	2.703	30	40	KFEB	
O=C1C(N2C(=O)c3ccccc3C2=O)=C(N2C(=O)c3ccccc3C2=O)C(=O)C(N2C(=O)c3ccccc3C2=O)=C1N1C(=O)c2ccccc2C1=O	150576110	CLTIKMDOPPJCLT-UHFFFAOYSA-N	688.564	2.746	30	40	KFEB	
COc1ccc(Br)cc1/C=N/Nc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccc(F)cc1	33750406	FQJODFKNFGVHLG-YSURURNPSA-N	501.316	2.828	30	40	KFEB	
CCCN1C(=O)[C@]2(C(C(=O)c3cccc(S(=O)(=O)N4CCCCC4)c3)=C(O)C(=O)N2CCN(C)C)c2ccccc21	98046796	MVVMZFVNMIEJQO-SSEXGKCCSA-N	580.707	2.912	30	40	KFEB	
COCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@@H]1c1ccc(Cl)cc1	102892739	AJSFPQCRHBVUFR-MOBKVPTQSA-N	535.018	2.819	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1ccc(N(CC)CC)cc1O	408939735	BNKVHRSIEACXCQ-SVRGBRSRSA-N	555.632	2.759	30	40	KFEB	
C=CCn1c(SCC(=O)N(CCOC)c2c(N)n(CCCC)c(=O)[nH]c2=O)nnc1-c1ccc(Cl)cc1	38139891	LIYVZPLQPQXPGQ-UHFFFAOYSA-N	548.069	2.789	30	40	KFEB	
C=CCn1c(SCC(=O)Nc2nc(C)c(C)s2)nnc1[C@@H](CO)NC(=O)c1ccc(OC)cc1	72191978	OPRAKYPUJYFBHH-QGZVFWFLSA-N	502.622	2.740	30	40	KFEB	
O=C(COc1ccccc1)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cccc(I)c1	101317751	LRDXONWAOABDIN-JROKQLJMSA-N	528.393	2.972	30	40	KFEB	
COc1ccc(NC(=O)C[C@H]2S/C(=N/c3ccccc3)N(CCN3CCOCC3)C2=O)c([N+](=O)[O-])c1	102962187	ZQARBZNSRLOOJW-JOWZZTKRSA-N	513.576	2.896	30	40	KFEB	
Cc1ccc(-n2c(=O)/c(=C\c3ccc([N+](=O)[O-])cc3)s/c2=C(/C#N)C(=O)Nc2ccc(C(=O)O)cc2)cc1	102963519	QCAXWOFJXOAILL-RPBGBGCUSA-N	526.530	2.956	30	40	KFEB	
C#CCOc1c(Cl)cc(/C=N/N[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OC	408957506	TWBKJOOYTGBBDU-VLBYHXBISA-N	587.029	2.881	30	40	KFEB	
C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OCC(=O)OC)c(OCC)c2)C(C(=O)OCC)=C(C)N=3)cc1	409047772	NCFSWSMUMLEOSD-KYRGTEIWSA-N	590.654	2.761	30	40	KFEB	
CCOC(=O)COc1ccc(Br)cc1/C=N\N[C@@H](O)COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OCC	408959130	YLBHVGBQOWYFQR-CFGCOTJXSA-N	649.495	2.912	30	40	KFEB	
O=C(/C(=C(/S)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[n+]1ccccc1)c1ccc([N+](=O)[O-])cc1	2650074	JPVLSXDTXKJBRJ-UHFFFAOYSA-O	527.604	2.954	30	40	KFEB	
CC(=O)O[C@H]1[C@@H](C)O[C@@H](O[C@@H]2CC[C@]3(C=O)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@@]5(O)[C@@H]4CC[C@]3(O)C2)C[C@H]1OC(C)=O	118921711	PHSBHTPVOGIRQM-RRXYWEEWSA-N	618.720	2.921	30	40	KFEB	
CSCC[C@@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C)C(=O)O	70692390	XACOXEFHYXIAPZ-IVUFXSTKSA-N	591.723	2.643	30	40	KFEB	biogenic
CCN1C(=O)[C@@]2(C(C(=O)c3cccc(S(=O)(=O)N4CCCCC4)c3)=C(O)C(=O)N2CCN(C)C)c2ccccc21	98046783	WBDFINREQQXHHO-LJAQVGFWSA-N	566.680	2.522	30	40	KFEB	
C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OC(C)=O)c(=O)n2[C@@H]1c1ccc(OC(C)=O)cc1	2303715	SKQYQIWYEHQLTJ-LWUPDDLQSA-N	532.574	2.815	30	40	KFEB	
C=CCn1c(=O)c2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2n(Cc2cccc([N+](=O)[O-])c2)c1=O	20237128	XZVULDBWKPGTGD-UHFFFAOYSA-N	514.494	2.964	30	40	KFEB	
CCOc1cc(/C=N\N(C)c2nc(N3CCCCC3)nc(N3CCCCC3)n2)ccc1OCC(=O)N1CCOCC1	409193483	DQUWVVFHIIZZRR-OFWBYEQRSA-N	566.707	2.959	30	40	KFEB	
COc1cc(OC)c(N2/C(=N\C(=O)CCNC(=O)OC(C)(C)C)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1Cl	101310300	KVPWAOHLOYRLFQ-XOVPMALCSA-N	534.056	2.873	30	40	KFEB	
CO[C@@H]1C=CO[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C(=O)C(CO)=C(NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C)C4=O	263597781	HDZZOQGHCQOHLC-IMZBIUOASA-N	725.788	2.993	30	40	KFEB	
C[C@@H]1O[C@H](CC(=O)O)Cc2c(O)c3c(c(O)c21)C(=O)C=C(C1=CC(=O)c2c(O)c4c(c(O)c2C1=O)C[C@H](CC(=O)O)O[C@H]4C)C3=O	8585928	FBNNGLOOTUKVRQ-FIQHERPVSA-N	634.546	2.774	30	40	KFEB	in-vitro
CCOC(=O)[C@H](C#N)[C@H](c1ccc2c(c1)OCO2)N1CCN([C@@H](c2ccc3c(c2)OCO3)[C@H](C#N)C(=O)OCC)CC1	22584173	GHLPQSPCTMIIBF-DEQMQSMYSA-N	576.606	2.950	30	40	KFEB	
COC[C@H](C)N1C(=O)[C@H](CC(=O)Nc2ccccc2)S/C1=N\c1cccc(S(=O)(=O)N(C)C)c1	102962521	IIDAGCAMQLDBKX-QVAVMFBNSA-N	504.634	2.932	30	40	KFEB	
COC(=O)[C@@H]1C[C@H](O)CN1C(=O)CON=C1C=C[C@@]2(C)C(=C1)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O	253533810	RSSJAWQURRUEQB-GTIRZWJDSA-N	500.636	2.984	30	40	KFEB	biogenic
C#CCOc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1OC	408947095	ZLHLEUAMDVCOKR-OQLLNIDSSA-N	547.261	2.886	30	40	KFEB	
CCOC(=O)COc1c(Br)cc(/C=N/N[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OC	408947744	JOVAQRCWRJQCBA-CPVPUQAFSA-N	679.521	2.920	30	40	KFEB	
CSCC[C@@H](NC(=O)[C@@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)C(C)C)C(=O)O	150344916	NFFAFKACCGSCKL-NZKFXDKGSA-N	692.872	2.576	30	40	KFEB	
O=C(Oc1ccc(/C=N/Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1)c1ccccc1I	8386611	FWYYPOABTWMCFK-WPWMEQJKSA-N	615.432	2.815	30	40	KFEB	
CCOC(=O)[C@@H]1NC(=C2C(=O)c3ccccc3C2=O)[C@H]2C(=O)N(N(C)c3ncc(C(F)(F)F)cc3Cl)C(=O)[C@H]21	100910842	AHJCNTNLMQYJJX-HDMKZQKVSA-N	562.888	2.574	30	40	KFEB	
CC[C@@H](C)[C@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)C(=O)O	118917719	GUZLDXZWVDPPFB-BEIWOERBSA-N	573.683	2.504	30	40	KFEB	
C#CCOc1ccc(Br)cc1/C=N\N[C@@H](O)COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OCC	408957458	TUEQTMHVPHASIY-CBLWXDATSA-N	601.454	2.982	30	40	KFEB	
C[C@H](O)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OCC(=O)/C=C1/N(C)c2ccccc2C1(C)C	14359751	ZHTRCDTVRSTHJY-IQTNXWDOSA-N	507.008	2.792	30	40	KFEB	
COCCN1C(=O)C(=O)/C(=C(/O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)[C@@H]1c1cccc(OC)c1	102546104	TVXMYCSKKIRTOA-AYWGPLOBSA-N	514.600	2.938	30	40	KFEB	
COc1c(OC(C)=O)ccc(/C=N/Nc2nc(Nc3ccc(F)cc3)nc(N3CCOCC3)n2)c1[N+](=O)[O-]	408721724	XSEGVPSTDAXHTQ-DHRITJCHSA-N	526.485	2.879	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1cc(Br)c(O)c([N+](=O)[O-])c1	408943420	FQJTYKLINISDNP-UYULMDJUSA-N	608.402	2.583	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1cc(I)c(OCC(=O)O)c(I)c1	408959356	ZKIFGGGMNQJLPV-OVWWEBQFSA-N	794.337	2.880	30	40	KFEB	
C#CCOc1c(Cl)cc(C(c2c(O)n(C)c(=S)n(C)c2=O)c2c(O)n(C)c(=S)n(C)c2=O)cc1OCC	409107715	UCSJTPJMGVEYBE-UHFFFAOYSA-N	565.073	2.875	30	40	KFEB	
C/C(Cl)=C\Cn1c(N/N=C2\C(=O)N(Cc3ccccc3)c3ccccc32)nc2c1c(=O)[nH]c(=O)n2C	38168743	NNIAHRNRAYACFC-CRECPMRHSA-N	503.950	2.929	30	40	KFEB	
C=C1[C@@H](O)[C@H]2/C=C/C[C@@H](C)C(=O)[C@](C)(O)/C=C\[C@@H](OC(C)=O)[C@]23C(=O)N[C@H](Cc2ccccc2)[C@@H]3[C@H]1C	43422756	SDZRWUKZFQQKKV-RHUKEMIUSA-N	507.627	2.917	30	40	KFEB	
C=CCN1C(=O)/C(=c2/sc3n(c2=O)[C@@H](c2ccc(N(C)C)cc2)C(C(=O)OCC)=C(C)N=3)c2ccccc21	409386751	GBEQWNWVZKTWJC-NXLSWJSLSA-N	528.634	2.767	30	40	KFEB	
CO[C@@H]1C[C@H](O[C@H]2CC[C@]3(/C=N/CC#N)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)O[C@@H](C)[C@@H]1O	70673692	LWKAZUCECAEDKN-SPGDSJLJSA-N	586.726	2.829	30	40	KFEB	biogenic
COc1cc([C@H](C)OC(=O)ON2C(=O)CCC2=O)c([N+](=O)[O-])cc1OCCCC(=O)NCCOCCOCCOCCOc1ccc(-c2nnc(C)nn2)cc1	575409785	FYXJZLYXHCHOII-QHCPKHFHSA-N	785.764	2.841	30	40	KFEB	
CCS(=O)(=O)N1CCC(NC2=CC(=O)[C@@]3(Oc4c(Cl)c(OC)cc(OC)c4C3=O)[C@H](C)C2)CC1	604403896	COEWNCXURVKTAZ-ZLOXQWCVSA-N	513.012	2.568	30	40	KFEB	biogenic
C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc4c(c2)OCO4)C(C(=O)OCC)=C(C)N=3)cc1OC	408919772	CFVGMHDOHKDNIC-VVNKCDPRSA-N	532.574	2.548	30	40	KFEB	
C#CCN1C(=O)S/C(=C/c2cc(I)c(OCC(=O)OCC)c(OC)c2)C1=O	409044221	UMANNWDTGAIRLX-NTEUORMPSA-N	501.298	2.911	30	40	KFEB	
COC(=O)COc1c(Br)cc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1Br	409407930	WCVUVSLXAMMOEL-KUDNYVPYSA-N	512.154	2.904	30	40	KFEB	
C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN2CCOCC2)c1	20332552	WIMFWUDUIKUWKF-RUZDIDTESA-N	506.555	2.933	30	40	KFEB	
Cc1ccc(S(=O)(=O)OC[C@@H](O)COc2ccc(OC[C@H](O)COS(=O)(=O)c3ccc(C)cc3)cc2)cc1	104828675	HZMDDMZDCNZESH-VXKWHMMOSA-N	566.650	2.594	30	40	KFEB	
CC[C@@H](C)[C@@H](NC(=O)[C@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)C(C)C)C(=O)O	150344842	SVMLVPRFQSDMBZ-CYVGBNBZSA-N	674.832	2.869	30	40	KFEB	
C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC)cc2OC)C(C(=O)OCC)=C(C)N=3)cc1OC	408927963	YZVNYGVPOAXIJG-LMSRTUJASA-N	548.617	2.836	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1ccc(Br)o1	408955592	QREDMLXKDXDOAU-RXPUKQNLSA-N	537.367	2.563	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C\c1cc(I)cc(OC)c1OCC#N	408956588	RNLZGNLRSGDLQN-UALNODDKSA-N	679.468	2.723	30	40	KFEB	
C=CCN1C(=O)N/C(=C/c2cc(I)c(OCC(=O)OC)c(I)c2)C1=O	409124612	IIQOHSMMVFSOOG-KPKJPENVSA-N	568.105	2.526	30	40	KFEB	
CCOc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)ccc1OCC(=O)N1CCOCC1	409283376	POKAURIRDDUGDQ-UHFFFAOYSA-N	529.391	2.986	30	40	KFEB	
CCCOc1ccc(/C(O)=C2\C(=O)C(=O)N(CCCN3CCOCC3)[C@@]23C(=O)N(C)c2ccccc23)cc1	9328648	VXXWNMHHBQTPPC-QAMYEIQESA-N	519.598	2.750	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1ccc(OC)c(I)c1	408957630	UAXNVGINIXDANS-ZOWGGAOYSA-N	624.432	2.820	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1ccc(I)cc1	408947451	JITGSTULACMTDS-XIABNSLWSA-N	594.406	2.812	30	40	KFEB	
CC(=O)OC[C@H]1O[C@@H](n2c3c(cc(C#N)c2=S)CCCCC3)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	5537058	HXMIHEPUGIHUHJ-URYYLNOGSA-N	534.587	2.614	30	40	KFEB	
CCOc1ccc([C@@H]2C(C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)=C(O)C(=O)N2CCCOC)cc1OC	6079918	IUAKHQQMZMOTER-HSZRJFAPSA-N	532.615	2.959	30	40	KFEB	
CCN(CC)c1ccc(N2/C(=N\C(=O)CNC(=O)OC(C)(C)C)S[C@@H]3CS(=O)(=O)C[C@H]32)c(C)c1	101319383	KYISBRJYIOPAAS-JGLUGSORSA-N	510.682	2.967	30	40	KFEB	
C=CCN1C(=O)/C(=c2/sc3n(c2=O)[C@@H](c2cccc(OC)c2)C(C(=O)OCC)=C(C)N=3)c2ccccc21	409386733	FZCPIQDKMFYZHK-AYWGPLOBSA-N	515.591	2.710	30	40	KFEB	
COc1ccc(Cl)cc1N1/C(=N\C(=O)CCNC(=O)OC(C)(C)C)S[C@H]2CS(=O)(=O)C[C@@H]21	32634530	IDVBPYJSFCEMOB-BZNUFVSVSA-N	504.030	2.865	30	40	KFEB	
CN1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2N/N=C/c2ccc(Sc3nccn3C)c([N+](=O)[O-])c2)CC1	100269165	FJTYGLFYKRFKQI-BUVRLJJBSA-N	560.618	2.770	30	40	KFEB	
C=CCOC(=O)C1=C(C)N=c2s/c(=C3/C(=O)N(CC)c4ccccc43)c(=O)n2[C@@H]1c1ccc(OC(C)=O)cc1	100773473	NNJDEWRYFOTARK-SBXHHDGASA-N	543.601	2.626	30	40	KFEB	
COc1cc(/C=c2/s/c(=C(\C#N)C(=O)Nc3ccccc3F)n(Cc3ccc4c(c3)OCO4)c2=O)cc(OC)c1OC	102963241	JYBXDFFREAVNTQ-WDZDXSNPSA-N	589.601	2.993	30	40	KFEB	
CCOc1cc(/C=N\Nc2nc(=Nc3ccccc3)nc(N3CCCC3)[nH]2)ccc1OCC(=O)N1CCOCC1	409204071	AIXKVELYQQVPPZ-CEUNXORHSA-N	546.632	2.720	30	40	KFEB	
COC(=O)[C@H](Cc1ccc(O)c([N+](=O)[O-])c1)NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C	79216839	HDTGZBPEDNNDJK-ULSOWZHHSA-N	682.723	2.835	30	40	KFEB	biogenic
C=CCNC(=O)c1cc(C(=O)N[C@H](Cc2ccccc2)C(=O)OC)ccc1C(=O)N[C@@H](Cc1ccccc1)C(=O)OC	102845399	PMCAWTVKTZRQRR-SXOMAYOGSA-N	571.630	2.631	30	40	KFEB	
C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4cc([N+](=O)[O-])ccc4O)c(=O)n32)cc1	408853773	RRSVRZGPSQJAEE-CVGPFBNFSA-N	521.551	2.977	30	40	KFEB	
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=C/C(=N\OCC(=O)NCc5ccc(C(=O)O)cc5)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO	70697018	QMBVEJCUARVHHU-CQFSMMHMSA-N	568.667	2.600	30	40	KFEB	
C/N=C1\S/C(=C\c2cc(I)c(OCC(=O)O)c(I)c2)C(=O)N1C	408777963	NEEGVIRVSUQUGI-NYNLOJKGSA-N	558.135	2.891	30	40	KFEB	
C=CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)N(CC)c4ccccc43)c(=O)n2[C@@H]1c1ccc(OC)cc1	13766294	LDRGYSZLLRWHNZ-UGUGFTGJSA-N	515.591	2.710	30	40	KFEB	
Cn1c(=O)[nH]c(=O)c2c1nc(N/N=C/C=C/c1ccc([N+](=O)[O-])o1)n2C[C@@H](O)COc1ccc(Cl)cc1Cl	100518328	SCKCFARYSOBWBL-XUZPKHQQSA-N	564.342	2.782	30	40	KFEB	
CCOC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CO/N=C1/C=C2CC[C@H]3[C@@H]4CC[C@](O)(C(=O)CO)[C@@]4(C)C[C@@H](O)[C@@H]3[C@@]2(C)CC1	118920872	KTYRLEPPWJJZSP-SANUSCKCSA-N	626.747	2.581	30	40	KFEB	
C=CCN1C(=O)/C(=c2/sc3n(c2=O)[C@H](c2ccc(F)cc2)C(C(=O)OCC)=C(C)N=3)c2ccccc21	628974	FGYRLBJUZJNBEN-HOGKFDNTSA-N	503.555	2.840	30	40	KFEB	
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(OC)c(OC)c2)c(O)c1	20309483	AJXWQYYTUUDVGX-DEOSSOPVSA-N	512.559	2.719	30	40	KFEB	
C=CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OC(C)=O)c(=O)n2[C@H]1c1ccc(OC(C)=O)cc1	97947631	SKQYQIWYEHQLTJ-XXMKCSCWSA-N	532.574	2.815	30	40	KFEB	
COc1ccc(OC)c([C@@H]2/C(=C(\O)c3c(C)nc4ccccn34)C(=O)C(=O)N2CCCN2CCOCC2)c1	102514204	CVAOCSMYEQTDCC-KQAPWQHSSA-N	520.586	2.804	30	40	KFEB	
COc1ccc([C@@H]2/C(=C(\O)c3cnn(-c4ccccc4)c3C)C(=O)C(=O)N2CCN2CCOCC2)cc1OC	102932950	IZHYBQVRBMNUCI-CJJGVWJISA-N	532.597	2.952	30	40	KFEB	
COc1cc(/C=N/Nc2nc(N3CCCC3)nc(N3CCOCC3)n2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	105669322	QTHHOLMUKQKUFA-WPWMEQJKSA-N	548.560	2.890	30	40	KFEB	
COc1cc([C@H](CC(=O)NCc2nc(N)n[nH]2)C2=C(O)[C@@]3(Oc4c(Cl)c(OC)cc(OC)c4C3=O)[C@@H](C)CC2=O)ccc1O	1547208794	OWAQPGUAJTXSDL-ZBBSHVPNSA-N	628.038	2.997	30	40	KFEB	biogenic
COC(=O)c1ccc([C@@H]2/C(=C(\O)c3c(C)nc4ccccn34)C(=O)C(=O)N2CCCN2CCOCC2)cc1	102876048	GNFNRUNLILKCRG-ZZIWUOEGSA-N	518.570	2.573	30	40	KFEB	
COC(=O)[C@@H]1[C@H](O)[C@H](C)[C@H](O)[C@](C)(O)C=CC=C(C)C(=O)Nc2c(C)c(OC(C)=O)c3c(c2O)C(=O)C(C)=C2OCOC(=C23)C(C)=C[C@](C)(O)[C@H](O)[C@@H](C)[C@H]1OC(C)=O	263594988	DAQTVVQVNADAHI-QQNOTIDSSA-N	827.877	2.790	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C\c1cc([N+](=O)[O-])cc(Br)c1O	408949605	LQLXWNDAVACXHF-OVIGYQOSSA-N	608.402	2.583	30	40	KFEB	
Cc1ccc(S(=O)(=O)OCCOCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCc2ccc(-c3scnc3C)cc2)C(C)(C)C)cc1	1777699021	AWCGNXJMBDCODQ-JUFIIOIISA-N	686.853	2.958	30	40	KFEB	
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cc(OC)c(OC)c(OC)c2)c1C	8816736	NVZFOXLSEQILDJ-QFIPXVFZSA-N	529.590	2.974	30	40	KFEB	
COCCCN1C(=O)C(O)=C(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@@H]1c1ccc(OC)c(OC)c1	16972146	MMWYNZVZKVEZRT-QFIPXVFZSA-N	518.588	2.569	30	40	KFEB	
COc1cc([C@H]2C(C(=O)c3c(C)nc4ccccn34)=C(O)C(=O)N2CCN2CCOCC2)cc(OC)c1OC	97954727	GOEIZIGQBDUCIZ-DEOSSOPVSA-N	536.585	2.579	30	40	KFEB	
C#CCOc1ccccc1/C=c1/sc2n(c1=O)[C@H](c1cccc(OC)c1OCC)C(C(=O)OCCOC)=C(C)N=2	408963568	FUOOFGFIWKUBAX-NQCZSQBNSA-N	562.644	2.844	30	40	KFEB	
C#CCOc1c(Br)cc(C(c2c(O)n(C)c(=S)n(C)c2=O)c2c(O)n(C)c(=S)n(C)c2=O)cc1OC	409074165	SIAOUNIEDOCEEF-UHFFFAOYSA-N	595.497	2.594	30	40	KFEB	
COc1ccc(-c2c(C(C)=O)c(-c3ccccc3)n([C@@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)c(=S)c2C#N)cc1	5956231	QVTGJGCRDSYEJT-PEQSZRCQSA-N	522.579	2.607	30	40	KFEB	
C#CCOc1ccc(/C=N/N[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1I	408951851	NMIRHTKWOUBOJA-LAEJIHLVSA-N	648.454	2.824	30	40	KFEB	
COc1cc(C=Nn2c(O)nc3ccccc3c2=O)cc(I)c1OCC(=O)OC(C)C	409353490	LYHDHWJCRCCNSR-UHFFFAOYSA-N	537.310	2.928	30	40	KFEB	
COc1cc(C(=O)O[C@H](C(=O)O)[C@@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)Nc2ccccc2C#N)ccc1OC(C)=O	409383218	UYXJUNPKNAKLMX-SXOMAYOGSA-N	634.550	2.900	30	40	KFEB	
C=C(CS(=O)(=O)c1ccc(C)cc1)C(=O)c1ccc(C(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)O)cc1	606235281	YYYREZMWSVJNLW-UHFFFAOYSA-N	767.891	2.545	30	40	KFEB	
COc1cc(OC)c2c(c1Cl)O[C@@]1(C(=O)/C(=C/NCCC(=O)Nc3ccccn3)C(=O)C[C@H]1C)C2=O	1547138851	HKSHNZCUGBJMKF-BHEAWYKASA-N	513.934	2.746	30	40	KFEB	
O=C(C1=C(O)C(=O)N(CCCN2CCOCC2)[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCCO2	20229797	HXENEXZWLWMURC-QHCPKHFHSA-N	509.515	2.667	30	40	KFEB	
CC(=O)O[C@]1(C(=O)COC(=O)CCC(=O)N2C[C@@H](O)C[C@@H]2C(=O)O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C	70698328	ZQLUAONXKBONOF-ALQBDZRJSA-N	601.693	2.759	30	40	KFEB	biogenic
COCCN1C(=O)C(=O)/C(=C(/O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@H]1c1ccc(Br)cc1	102552442	PTGPYULQEYAFIO-LFVOPCPISA-N	523.405	2.768	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1ccc(O)c(I)c1	408945150	HINCNCXNOZFUCZ-SJLPXIOISA-N	610.405	2.517	30	40	KFEB	
C[C@H]1CCc2c(sc(NC(=O)CN3CCN(S(=O)(=O)c4ccccc4[N+](=O)[O-])CC3)c2C#N)C1	34853953	IURNHRMTGYQXDH-HNNXBMFYSA-N	503.606	2.598	30	40	KFEB	
COC(=O)c1[nH]c(C)c(/C(O)=C2\C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccc(OC)c2)c1C	102878219	JMWKKSYSLRVEQU-BUANBSPESA-N	511.575	2.571	30	40	KFEB	
C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(N(C)C)cc2)C(C(=O)OCC)=C(C)N=3)cc1	408919831	DCPQWBHNRLGMJF-IVNHJSRESA-N	501.608	2.876	30	40	KFEB	
C#CCOc1c(/C=N\N[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc(Br)cc1OC	408945323	HJIPRDJDQPTTCN-FZBVERTKSA-N	631.480	2.990	30	40	KFEB	
COc1cc(OC)c2c(c1Cl)O[C@]1(C(=O)/C(=C/NCCC(=O)N3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)C(=O)C[C@@H]1C)C2=O	1547206288	BAGTVCNJJAIJMS-JNBJOQLVSA-N	610.063	2.520	30	40	KFEB	
COc1cccc([C@H]2/C(=C(\O)c3cnn(-c4ccccc4)c3C)C(=O)C(=O)N2CCN2CCOCC2)c1	102507510	ICULGDYKABEGRY-IUKMQXEJSA-N	502.571	2.943	30	40	KFEB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC#N)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409038016	OIFOQWKTNDHWJD-ZUCAMLDZSA-N	621.668	2.660	30	40	KFEB	
COc1cc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc([N+](=O)[O-])c1OCC(=O)Nc1ccc(F)cc1	409408129	PMGWFEMSUIZQFM-YKTUVVHCSA-N	508.462	2.901	30	40	KFEB	
CS(=O)(=O)N1CCN(c2c(S(=O)(=O)c3ccc(F)c(Cl)c3)cnc3ccc(C#N)cc23)CC1	71775263	OKIKTDUKYMLXHA-UHFFFAOYSA-N	508.984	2.813	30	40	KFEB	
C=CCn1c(CCNC(=O)c2ccc(OC)cc2)nnc1SCC(=O)Nc1cccc(C(=O)OC)c1	408594732	AXUVLMXULGZKFY-UHFFFAOYSA-N	509.588	2.963	30	40	KFEB	
O=C1CSC(=S)N1/N=C\c1cc(I)c(O)c(I)c1	409343848	DPUNBNJOIPXTRE-DXNYSGJVSA-N	504.112	2.796	30	40	KFEB	
COc1ccc(C(=O)Nc2ccc3n(c2=O)C[C@H]2C[C@@H]3CN(S(=O)(=O)c3ccccc3C#N)C2)cc1	4236287	HPAOHAMBJHONKY-FXAWDEMLSA-N	504.568	2.789	30	40	KFEB	biogenic,in-vitro
COC(=O)[C@@]12C(=O)[C@@](C)(O)C(=O)[C@@]1(C)C(C)=C[C@@H]1[C@@]3(C=O)CC[C@H](OC(C)=O)C(C)(C)[C@@H]3CC[C@]12C	118930160	VNBOCIKTDWMWMX-DEHRNYOZSA-N	502.604	2.984	30	40	KFEB	biogenic,in-vitro
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1ccc(N2CCCCC2)o1	408946893	IXIKZIMIMIEPTI-ABDBYYMNSA-N	541.605	2.790	30	40	KFEB	
C#CCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)sc2cc(S(N)(=O)=O)ccc21	8683990	WZHVTTKOXSYOGB-SGEDCAFJSA-N	566.686	2.866	30	40	KFEB	
COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C	70692228	LSBAJWCLHNATOA-YKSMDOFHSA-N	639.742	2.719	30	40	KFEB	biogenic
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCC#N)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	408922559	FELOOLJZOHUEPT-FOOJEKODSA-N	502.596	2.767	30	40	KFEB	
C=CCOc1ccccc1/C=N/N[C@@H](O)COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OCC	408938586	ATVJVILOKFGUEZ-ASZYGDGUSA-N	524.574	2.772	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1ccc(OC)cc1C	408940832	CKPLBFZBQXEINJ-ZOLLBZJMSA-N	512.563	2.524	30	40	KFEB	
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cc(OC)ccc2OC)c(O)c1	20309470	HIXPRDORZFFXSW-XMMPIXPASA-N	512.559	2.719	30	40	KFEB	
COc1ccc([C@@H]2/C(=C(\O)c3c(C)nc4c(C)cccn34)C(=O)C(=O)N2CCN2CCOCC2)cc1OC	102856954	XRFYBNRRJUIONR-ZZIWUOEGSA-N	520.586	2.722	30	40	KFEB	
CN(C)c1ccc([C@@H]2/C(=C(\O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCCN2CCOCC2)cc1	102888606	WHOOIWMKOFRHGI-NPJIAGGLSA-N	507.587	2.668	30	40	KFEB	
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@@]2(O)C(=O)COC(=O)CCC(=O)NCC1CCC(C(=O)O)CC1	118920839	DFQDPPOTXINHQE-SILYZNGOSA-N	599.721	2.896	30	40	KFEB	
C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC)cc2OC)C(C(=O)OCC)=C(C)N=3)cc1OC	408927964	YZVNYGVPOAXIJG-RISWYLRJSA-N	548.617	2.836	30	40	KFEB	
COc1cc(/C=N/N=C2\NC(=O)[C@H](CC(=O)O)S2)cc(Br)c1OS(=O)(=O)c1ccc(NC(C)=O)cc1	97958841	FBOXMKMPTRSLRH-LVGSUZFTSA-N	599.441	2.580	30	40	KFEB	
CCOc1cc(/C=N/Nc2ncc(F)c(N3CCOCC3)n2)cc(I)c1OC	408736011	ZSLIDJMLKFZNTN-LSHDLFTRSA-N	501.300	2.910	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1ccc(OCC#N)c(Br)c1	408958298	VMFFYRQEADRSQL-LXIFSBEASA-N	602.442	2.872	30	40	KFEB	
O=C(Cc1ccccc1Cl)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1NC(=O)Cc1ccccc1Cl	13624467	BYFYVPWSQILYRF-SIYQDOFTSA-N	512.440	2.907	30	40	KFEB	
Cc1ccc(S(=O)(=O)/N=C(\CN2CCCCC2)NCCCNS(=O)(=O)c2ccc(C)cc2)cc1	57256227	QDDVJXTXFROIQE-UHFFFAOYSA-N	506.694	2.835	30	40	KFEB	
Cc1c(/C=N\N=c2/[nH][nH]/c(=N/N=C\c3c(C)n(C)n(-c4ccccc4)c3=O)c3ccccc23)c(=O)n(-c2ccccc2)n1C	4946398	KLYRMTOMIBUROV-NBDJWBGESA-N	586.660	2.961	30	40	KFEB	
CCCCCCCC(=O)OCC(=O)[C@@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C1)C(=O)c1c(OC)cccc1C3=O	95740176	MFUJRSZQSMPGLX-OSPAXUCYSA-N	669.724	2.913	30	40	KFEB	
CC(=O)Oc1c(C)c2c(O)c3c1C1=C(OCOC1=C(C)C3=O)C(C)=C[C@](C)(O)[C@H](O)[C@H](C)[C@H](O)[C@H]1C(=O)O[C@@H]([C@H](C)[C@H]1O)[C@](C)(O)C=CC=C(C)C(=O)N2	254093034	LMKBJVKXRKQNGU-UVVHANBLSA-N	753.798	2.611	30	40	KFEB	
CCOC(=O)[C@H]1[C@H](c2ccc(OC)c(O)c2)[C@@H](C(=O)OCC)/C(=N/NS(=O)(=O)c2ccc(C)cc2)C[C@]1(C)O	100239163	HQHWFPSAJVRMRN-HKXQWFDKSA-N	562.641	2.641	30	40	KFEB	
C=CCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N(C)CCCC)cc2)sc2cc(S(N)(=O)=O)ccc21	100874868	UWEBVXFRBKQZDX-GYHWCHFESA-N	522.674	2.698	30	40	KFEB	
CCOC(=O)c1sc(N)c(C#N)c1COC(=O)CCNS(=O)(=O)c1cccc(C(F)(F)F)c1	3427984	VVRYKUPRDZDKPA-UHFFFAOYSA-N	505.496	2.809	30	40	KFEB	
CCS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCCCN2)cc1	13146529	QUJPLHQJSDQTII-QFIPXVFZSA-N	518.661	2.653	30	40	KFEB	
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@]23C(=O)N(C)c2ccccc23)cc1	20443877	XGPGOMNGHLFJSE-GDLZYMKVSA-N	519.598	2.907	30	40	KFEB	
O=C(c1ccc(/N=C2\N[C@@H]3CS(=O)(=O)C[C@H]3S2)cc1)N1CCN(CCOc2ccc(Cl)cc2)CC1	97986824	SJPVXORKBCIOKW-FGZHOGPDSA-N	535.091	2.666	30	40	KFEB	
N#C/C(C(=O)N1CCOCC1)=c1/s/c(=C\c2ccc(OC(F)F)cc2)c(=O)n1-c1ccccc1C(F)(F)F	102963030	AACQDMAXZNICPN-KELYRIONSA-N	551.493	2.881	30	40	KFEB	
C=CCN(c1ccccc1OC)S(=O)(=O)c1cccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)c1	103080148	PGZOPUIMMYHHJS-SFHVURJKSA-N	573.649	2.908	30	40	KFEB	
C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N[C@H](C(=O)O)[C@@H](O)c1ccccc1	118919101	ATBUFJDZMRCVPQ-CALXDXCESA-N	623.699	2.624	30	40	KFEB	
C=CCn1c(SCC(=O)Nc2ccc(C(=O)OCC)cc2)nnc1[C@@H](CO)NC(=O)c1ccc(OC)cc1	408596676	UGMHPZRUIBHZLT-OAQYLSRUSA-N	539.614	2.844	30	40	KFEB	
C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC(C)=O)c3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)cc1	2248659	PDTWBDGUNAYKJL-LWUPDDLQSA-N	532.574	2.815	30	40	KFEB	
COC(=O)[C@H](O)[C@H]1C(C)(C)[C@H](OC(=O)C(C)C)[C@@]2(O)C(=O)[C@]1(C)[C@@H]1CC[C@@]3(C)[C@H](c4ccoc4)OC(=O)C[C@H]3[C@]13O[C@H]23	67911539	ADDLXGZBTXNVDS-CRQVTLFUSA-N	588.650	2.516	30	40	KFEB	biogenic,in-vitro
CC(C)COc1ccc(/C=N/Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1Br	408604098	SLFYVYWTXJPZMO-ZVHZXABRSA-N	520.432	2.788	30	40	KFEB	
CCOC(=O)COc1ccc(/C=N/N[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OCC	408952850	OBSQQEKKHNQJOV-XISDMNPLSA-N	614.652	2.548	30	40	KFEB	
O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1/N=C/c1cc(I)c(O)c(I)c1	409035123	PGJDCZNQKCKXIM-YIZUKWPDSA-N	560.129	2.988	30	40	KFEB	
COc1cc(OC)c2c(c1Cl)O[C@]1(C(=O)/C(=C/N[C@H](CCS(C)(=O)=O)c3nc(-c4ccccn4)no3)C(=O)C[C@H]1C)C2=O	1547203742	QXCGXFQFSDSUCG-JAAVLYQBSA-N	631.063	2.944	30	40	KFEB	
CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cccc(OC)c4OCC#N)c(=O)n32)cc1OCC	408942783	LGBGTRTZNMZYOM-BCGDRIGESA-N	549.605	2.726	30	40	KFEB	
C=CCN1C(=O)/C(=c2/sc3n(c2=O)[C@H](c2cc(OC)ccc2OC)C(C(=O)OCC)=C(C)N=3)c2ccccc21	409388564	MLWAHVZRNNPHDP-SBXHHDGASA-N	545.617	2.718	30	40	KFEB	
CCCCCCC[C@@H](Oc1cc(O)c2c(=O)c(-c3ccc(O[C@@H]4O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]4O)cc3)coc2c1)C(=O)OC	104823949	MPYCQJDTFYUOKP-XINISLGXSA-N	602.633	2.625	30	40	KFEB	
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@@]2(O)C(=O)COC(=O)CCC(=O)NCCc1ccc(O)c(O)c1	118920847	NLCKTSCVJVRAIX-AOMWEDBZSA-N	595.689	2.659	30	40	KFEB	
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=C/C(=N\OCC(=O)NCCc5ccc(O)cc5)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO	85902434	RJEHFICEWKFKNX-QPVPWQRHSA-N	554.684	2.650	30	40	KFEB	
CCCCCCCCCCNC(=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)OC(C)=O	104329959	LXDXDHMHJIMYDW-NGSHPTGOSA-N	545.626	2.533	30	40	KFEB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCC#N)c(=O)n2[C@@H]1c1cc(OC)c(OC)c(OC)c1	408818868	QVRTVPDRDSEASH-DLBLZJNESA-N	549.605	2.726	30	40	KFEB	
Cc1cccc(C(=O)Oc2ccc(/C=N/Nc3nc(N4CCOCC4)nc(N4CCOCC4)n3)cc2)c1	15011530	UJUTZBMMDXQTEC-OVVQPSECSA-N	503.563	2.518	30	40	KFEB	
CCOc1cc(/C=N/NC(N)=S)cc(Br)c1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1	15223127	JWJRCQPDGKTRDH-DJKKODMXSA-N	503.356	2.691	30	40	KFEB	
CCOc1cc(/C=N/Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)ccc1C(=O)Oc1ccc(F)cc1	103755633	AQUBHBZUPIMKEF-RDRPBHBLSA-N	551.579	2.748	30	40	KFEB	
COc1cc([C@H]2c3cc4c(cc3[C@H](OC(=O)C[n+]3ccccc3)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OC	5731925	KXUOHLZMIKUHDO-UFZSTKPESA-N	534.541	2.948	30	40	KFEB	
CCc1c(C)c(C#N)c(=S)n([C@H]2O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)c1C	5956167	GINFPTWSKPUPFL-NQQQLTFYSA-N	522.576	2.524	30	40	KFEB	
C=CCN1C(=O)[C@H](CC(=O)Nc2ccccc2)S/C1=N/c1ccc(S(=O)(=O)N2CCOCC2)cc1	16035338	LKVIZBBHSFXXAZ-LRJXLTTPSA-N	514.629	2.854	30	40	KFEB	
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@]23C(=O)N(C)c2ccccc23)cc1C	24192892	FYOWFJUVRARYSY-PMERELPUSA-N	531.609	2.991	30	40	KFEB	
COc1cccc2c1C(=O)[C@H]1[C@@H](C2=O)[C@@H](O)[C@H]2C[C@@](O)(/C(C)=N/N=C/C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C[C@@H](O[C@H]3C[C@H](N)[C@H](O)[C@H](C)O3)[C@H]2[C@H]1O	257198964	NMRQTRXDJXMXSO-RLVXWLSGSA-N	777.634	2.923	30	40	KFEB	
COC(=O)CN1C(=O)N/C(=C/c2ccc(OCc3ccccc3C#N)c(I)c2)C1=O	408549651	WHEFBTSVVPOTLC-RQZCQDPDSA-N	517.279	2.808	30	40	KFEB	
CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(OCC#N)cc4)c(=O)n32)cc1OCC	408936245	OUOCRECKPFPKPA-JXCKLXDISA-N	519.579	2.718	30	40	KFEB	
CCOc1ccc(/C=N/N[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OC	408958112	VFYZTGIBGNJXDF-FZEVWGAESA-N	542.589	2.614	30	40	KFEB	
CCOC(=O)N1CCN(c2nc3ccccc3nc2[C@@H](C#N)C(=O)NCc2ccc3c(c2)OCO3)CC1	8836101	LCHUNNQORKWQPT-GOSISDBHSA-N	502.531	2.561	30	40	KFEB	
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N[C@H](Cc1ccccc1)C(=O)O	70698150	QSQUMTHHMINFDZ-PFTYFAMESA-N	609.716	2.925	30	40	KFEB	biogenic
C=C1[C@H]([C@]2(C)C=CC(=O)O[C@]3(C)COC(=O)C[C@@H]32)[C@H](OC=O)[C@H](OC(=O)[C@H](O)[C@H](C)CC)[C@]2(C)[C@H](c3ccoc3)C[C@H](OC(C)=O)[C@]12O	254194568	ZZPUDABJUQWRTM-YGGUHJEJSA-N	672.724	2.924	30	40	KFEB	
C#CCOc1c(/C=N\N[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc(Br)cc1OC	408945324	HJIPRDJDQPTTCN-QERSVGBZSA-N	631.480	2.990	30	40	KFEB	
C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OC)c(OC)c3)c(=O)n2[C@@H]1c1ccccc1	9030336	QCUNQJHYEYMVQG-FQWPPLDYSA-N	506.580	2.990	30	40	KFEB	
C=CCOc1ccccc1/C=N/N[C@H](O)COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OCC	408938588	ATVJVILOKFGUEZ-BXLJIYODSA-N	524.574	2.772	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1ccc(Br)cc1	408943424	FQSMJPPLZGRZOU-GKIICUKPSA-N	547.406	2.970	30	40	KFEB	
CCOC(=O)[C@H](C)Oc1ccc(C=Nn2c(O)nc3ccccc3c2=O)cc1I	409354756	BRSYVXUCRXTJKA-LBPRGKRZSA-N	507.284	2.919	30	40	KFEB	
CC(C)(C)OC(=O)NCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(OC(F)(F)F)cc1	32507589	INCKMMVLCNIIFE-LQOJKIOOSA-N	509.528	2.711	30	40	KFEB	
Cc1c(/C(O)=C2\C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccc([N+](=O)[O-])c2)cnn1-c1ccccc1	102931255	YNFLYEVMEIAIMI-SBXHHDGASA-N	517.542	2.843	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1cc(Br)ccc1OCC#N	408959155	YNJQEPOLYKGQAH-ZSQGPWTJSA-N	602.442	2.872	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1cc(I)c(OCC(=O)O)c(I)c1	408959355	ZKIFGGGMNQJLPV-KYZRTJLLSA-N	794.337	2.880	30	40	KFEB	
C#CCOc1cccc(/C=c2/sc3n(c2=O)[C@H](c2ccc(OCC(=O)OC)c(OCC)c2)C(C(=O)OCC)=C(C)N=3)c1	409033453	FJACOWKJUQWGEH-RBXKPUFLSA-N	590.654	2.761	30	40	KFEB	
COc1cc(OC)c2c(c1Cl)O[C@]1(C(=O)/C(=C/NCCC(=O)N3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)C(=O)C[C@H]1C)C2=O	1547206289	BAGTVCNJJAIJMS-STJYAEORSA-N	610.063	2.520	30	40	KFEB	
CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N5C[C@H](O)C[C@@H]5C(=O)O)CC[C@]4(C)[C@H]3CC[C@@]21C	8788794	XQSIZZYMZMLQIG-BMFORGPVSA-N	516.635	2.688	30	40	KFEB	
O=[N+]([O-])c1ccc(N/N=C/c2ccc(Cl)cc2Cl)c(S(=O)(=O)N2CCN(CCO)CC2)c1	59523038	QIYWMEDMTARHCQ-LPYMAVHISA-N	502.380	2.646	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C\c1cc(I)cc(OC)c1OC	408956708	RRFGCOBXUJILRC-HNCLAJARSA-N	654.458	2.829	30	40	KFEB	
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCN2CCOCC2)cc1	15837202	GEDKEPRDBXBTQE-XDHUDOTRSA-N	506.555	2.707	30	40	KFEB	
O=C(c1ccc(Cl)c(/N=C2\N[C@@H]3CS(=O)(=O)C[C@H]3S2)c1)N1CCN(Cc2ccccc2)CC1	20618031	FKCJNBAOJILKEF-NHCUHLMSSA-N	505.065	2.788	30	40	KFEB	
CC[C@H](C)[C@@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)C(=O)O	70692346	MMWQEYZXQLVYHN-KXTKLWOGSA-N	575.699	2.728	30	40	KFEB	biogenic
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1cc(I)c(OCC#N)c(OC)c1	408939824	BREPRLZAURBNDD-IFFKDRNLSA-N	679.468	2.723	30	40	KFEB	
C=CCc1cc(/C=N/N[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)ccc1OC	408946804	IPAMTIYRIMJVDY-SVRGBRSRSA-N	538.601	2.944	30	40	KFEB	
COc1cc(/C=N/Nc2ncc(F)c(N3CCOCC3)n2)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1	409067466	YFRAHSQWOKMSLK-UVHMKAGCSA-N	525.497	2.833	30	40	KFEB	
C#CCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)sc2cc(OC)c(OC)cc21	60266468	FHYDNGRBLLVAHO-KZIUFBKBSA-N	529.640	2.892	30	40	KFEB	
Cc1cc(C)nc(N/C(=N\C(=O)NC2C3CC4CC(C3)CC2C4)NCCc2ccc(S(N)(=O)=O)cc2)n1	12652023	XHWBQVPGHZXFNJ-UHFFFAOYSA-N	525.679	2.875	30	40	KFEB	
CO[C@@H]1C[C@H](O[C@@H]2CC[C@]3(C#N)[C@H]4CC[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)O[C@@H](C)[C@H]1O	70708164	PQYWNPQSYWMPGQ-FHUITGKVSA-N	545.673	2.758	30	40	KFEB	biogenic
CCCCCCCCC[C@H]1CC(=O)NCC(=O)N[C@H](C(C)C)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](C)C(=O)N[C@H](C(C)C)C(=O)O1	73292998	KIJLRIARMCGDJZ-RSFZNXBHSA-N	637.863	2.876	30	40	KFEB	
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NCc1cccnc1	70691934	RPCYENFQQJKDTO-QBRHEHFTSA-N	550.652	2.600	30	40	KFEB	biogenic
CS(=O)(=O)O[C@H]1[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)CO[C@@H]1OC(=O)c1ccccc1	104261625	MBBLDWQNHWZAHE-GRSOWLQASA-N	540.546	2.996	30	40	KFEB	
CCOc1cc(/C=N/N[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)ccc1OC	408940669	CFXPUVGJHHVMQT-JEDKUOLWSA-N	542.589	2.614	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1ccc(OC)c(C)c1	408955528	QPAYQROOHAVEBY-CZYGPWSVSA-N	512.563	2.524	30	40	KFEB	
C=CCN1C(=O)/C(=c2/sc3n(c2=O)[C@H](c2ccc(OC)c(OC)c2)C(C(=O)OCC)=C(C)N=3)c2ccccc21	630727	XQPTVXCGVHIBHO-SBXHHDGASA-N	545.617	2.718	30	40	KFEB	
CC(C)(C)OC(=O)NCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(Br)c1	32634593	OJQDALHAPCPZFL-SQMCUVOGSA-N	518.455	2.965	30	40	KFEB	
O=C(Cc1ccccc1Cl)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1NC(=O)Cc1ccccc1Cl	13624464	BYFYVPWSQILYRF-JICHNDPSSA-N	512.440	2.907	30	40	KFEB	
COCCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N(CCC#N)CCC#N)cc2)sc2cc(OC)ccc21	97972928	UQDJCQROHHKQOV-PNHLSOANSA-N	527.628	2.917	30	40	KFEB	
COc1cc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc([N+](=O)[O-])c1OCC(=O)Nc1ccccc1F	409408802	RPSFWTSMSMKKCY-YKTUVVHCSA-N	508.462	2.901	30	40	KFEB	
CS(=O)(=O)OCCN(CCOS(C)(=O)=O)c1ccc(/C=N/c2cccc(Br)c2)cc1	1655569	DQOXBVRRMHMWAM-RCCKNPSSSA-N	519.439	2.959	30	40	KFEB	
COc1cc(/C=N/NC(N)=S)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	8843250	WDDXGOOHALKRLS-DJKKODMXSA-N	505.359	2.543	30	40	KFEB	
CC(=O)O[C@]1(C(=O)COC(=O)CCC(=O)N2C[C@H](O)C[C@@H]2C(=O)O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C	70698323	ZQLUAONXKBONOF-PWWRXGPDSA-N	601.693	2.759	30	40	KFEB	biogenic
CC(C)(C)c1ccc([C@@H]2C(C(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)=C(O)C(=O)N2CCN2CCOCC2)cc1	98045734	FHWXUAYMMRIMJF-HHHXNRCGSA-N	597.734	2.916	30	40	KFEB	
C/C=C(\C)C(=O)O[C@H]1[C@@H](C)[C@]2(O)[C@@H](C=C(CO)C[C@@]3(O)C(=O)C(C)=C[C@@H]32)[C@H]2C(C)(C)[C@]12OC(=O)C(C)C	100070142	MVWXLRYZCZSBKW-LQOSWPQVSA-N	516.631	2.654	30	40	KFEB	biogenic,in-vitro
COC(=O)c1ccc([C@@H]2/C(=C(\O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCCN2CCOCC2)cc1	102882834	OPFZEINYGNKVGT-CRJQIMHWSA-N	520.582	2.941	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C\c1cn(CC#N)c2ccccc12	408946325	IOEATBINOGCJGU-AGISTJLNSA-N	546.584	2.685	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C\c1ccccc1OC(C)C	408940710	CHPWJFZGGFORJP-ICORMZBLSA-N	526.590	2.994	30	40	KFEB	
C=CCOc1cccc(/C=N\N[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)c1	408959310	ZDRHTBKGAOHHPF-SYUGGXAZSA-N	524.574	2.772	30	40	KFEB	
COc1cc(OC)c2c(c1Cl)O[C@]1(C(=O)/C(=C\N[C@H](CCS(C)(=O)=O)c3nc(-c4ccccn4)no3)C(=O)C[C@H]1C)C2=O	1547203741	QXCGXFQFSDSUCG-CSYVTFHQSA-N	631.063	2.944	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C\c1ccc(OC(C)=O)c(OCC)c1	408956415	RLEXHPSQLNQMGC-HLBKOFPLSA-N	570.599	2.531	30	40	KFEB	
COc1ccc([C@@H]2C3=C(C[C@@H](C)[C@]4(Oc5c(Cl)c(OC)cc(OC)c5C4=O)C3=O)Nc3nc(N)nc(O)c32)cc1OCC(N)=O	1547139229	PTFGOYATYQYLBB-NVJYBHNUSA-N	638.033	2.742	30	40	KFEB	biogenic
Cc1ccc(NN=c2[nH]c3nonc3[nH]c2=N/N=C\c2cc(Br)c(O)c(Br)c2O)cc1	408721791	YOZMHBYQAKXZBH-YXSASFKJSA-N	550.171	2.986	30	40	KFEB	
O=C(N[C@H]1OCCO[C@@H]1NC(=O)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F	33354542	OECAFRUTKVSXGY-IMJSIDKUSA-N	510.178	2.584	30	40	KFEB	
CCCCCCCN1C(=O)NC(=O)/C(=C/c2ccc3c(c2)CC2(C(=O)N(C)C(=O)N(C)C2=O)[C@@H]2CCCN32)C1=O	97967838	KYGFGHYQPQFOPA-YEMUAQJGSA-N	549.628	2.681	30	40	KFEB	
C=CCc1cc(/C=N/N[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc(OC)c1O	408957619	TZULHENDROUXGE-GCKFMUFSSA-N	554.600	2.650	30	40	KFEB	
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCN2CCOCC2)cc(OC)c1OC	38140406	AVPLZNYCZADGQH-CRICUBBOSA-N	538.597	2.946	30	40	KFEB	
C[C@@H](CCCCCCCCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)C(=O)C1=C(O)N(C)[C@H](C)C1=O	43589956	NHTZEZZBJRROIH-OHKJHLHYSA-N	557.725	2.752	30	40	KFEB	biogenic
O=C(NCCCC[C@@H](NC(=O)OCc1ccccc1)C(=O)ON1C(=O)CCC1=O)OCc1ccccc1	103666234	LHOAUCZIIQFZMI-OAQYLSRUSA-N	511.531	2.985	30	40	KFEB	
CCOC(=O)COc1c(I)cc(C=Nn2c(O)nc3ccccc3c2=O)cc1OC	409363757	IJZXFDKCRADHPL-UHFFFAOYSA-N	523.283	2.539	30	40	KFEB	
C=C(C)COc1ccc2c(C)c(CC(=O)NCCc3ccc(S(=O)(=O)NC(C)=O)cc3)c(=O)oc2c1	13609745	SRIJGBBZAQXGFY-UHFFFAOYSA-N	512.584	2.783	30	40	KFEB	
CSCC[C@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C)C(=O)O	70692389	XACOXEFHYXIAPZ-JHXKAMGPSA-N	591.723	2.643	30	40	KFEB	biogenic
CCc1ccc([C@H]2C(C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)=C(O)C(=O)N2CCCN2CCOCC2)cc1	98047195	QMOKXHOEMQWLPW-VWLOTQADSA-N	541.670	2.800	30	40	KFEB	
CCC[C@H]1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@H](O)C[C@]3(C)[C@]2(C(=O)COS(C)(=O)=O)O1	118917419	UNRWYSJKJKUNPJ-NGCYFJJESA-N	508.633	2.701	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1ccc(Cl)cc1	408950559	MHVQXVCORNGPLS-XIABNSLWSA-N	502.955	2.861	30	40	KFEB	
C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1	1826576	PYVWJKCECASCHT-CBYYHRJHSA-N	536.606	2.999	30	40	KFEB	
CCOC(=O)c1[nH]c(C)c(/C(O)=C2\C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cc(OC)ccc2OC)c1C	102926056	HHPRRXSHAJTGON-QKJBWNOYSA-N	555.628	2.969	30	40	KFEB	
CC(=O)Oc1c(C)c2c(O)c3c1C1=C(OCOC1=C(C)C3=O)C(C)=C[C@](C)(O)[C@H](O)[C@H](C)[C@H](O)[C@H]1C(=O)O[C@@H]([C@H](C)[C@@H]1O)[C@](C)(O)C=CC=C(C)C(=O)N2	254093032	LMKBJVKXRKQNGU-LRKUUCBQSA-N	753.798	2.611	30	40	KFEB	
CCC(=O)O[C@]1(C(=O)COS(C)(=O)=O)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C	135803778	LJIXIWVFIFXMTE-QEAKFQLESA-N	526.623	2.841	30	40	KFEB	
COc1cccc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)c1OCC(=O)N1CCOCC1	409301214	BTPPTWFAVLYUHU-UHFFFAOYSA-N	515.364	2.596	30	40	KFEB	
CCN1C(=O)[C@]2(C(C(=O)c3cccc(S(=O)(=O)N4CCCCC4)c3)=C(O)C(=O)N2CCCN(C)C)c2ccccc21	98046788	XLLXQUVUBOEDQG-SSEXGKCCSA-N	580.707	2.912	30	40	KFEB	
COC(=O)c1[nH]c(C)c(/C(O)=C2\C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(OC)c(OC)c2)c1C	102930587	ZAWCDLWQYWRMCB-ZZIWUOEGSA-N	541.601	2.579	30	40	KFEB	
CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccccc4OCC#N)c(=O)n32)cc1OCC	408946113	OXPRGPATUCMYOM-HKPSVDRMSA-N	519.579	2.718	30	40	KFEB	
C[C@H](Oc1c(I)cc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1I)C(=O)O	409405576	OOAYIKJVKMCOHM-TVXZTZGSSA-N	606.154	2.889	30	40	KFEB	
CCOC(=O)N1CCN(CC2=CC(C)(C)N3C(=O)/C(=C4/NC(=S)SC4=O)c4cc(OC)cc2c43)CC1	618256777	LVLZNNUCDYBEJH-VHEBQXMUSA-N	528.656	2.851	30	40	KFEB	
COc1cc(OC)c2c(c1Cl)O[C@@]1(C(=O)/C(=C/NCc3nc(CS(=O)(=O)c4ccccc4)no3)C(=O)C[C@H]1C)C2=O	1547139340	NSWFILUDZQEVHG-IYRLXIOZSA-N	602.021	2.880	30	40	KFEB	
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NCc1ccc(C(=O)O)cc1	70692253	YJMJOHNBMDLHMO-CBFGIIHWSA-N	593.673	2.903	30	40	KFEB	biogenic
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1cc(Br)c(O)c([N+](=O)[O-])c1	408943419	FQJTYKLINISDNP-KGGOQILESA-N	608.402	2.583	30	40	KFEB	
CCCCCCC[C@@H](CC(=O)O)OC(=O)C[C@H](CCCCCCC)O[C@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]1O[C@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]1O	73417905	FCBUKWWQSZQDDI-JGKPQWEVSA-N	650.803	2.549	30	40	KFEB	
C/C=C(\C)C(=O)O[C@@H]1[C@H](C)[C@]2(O)[C@@H](C=C(CO)C[C@@]3(O)C(=O)C(C)=C[C@@H]32)[C@H]2C(C)(C)[C@@]21OC(=O)C(C)C	100070130	MVWXLRYZCZSBKW-GDPQNZLQSA-N	516.631	2.654	30	40	KFEB	biogenic,in-vitro
C=CCOc1c(I)cc(/C=C2\SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc1OC	106710096	QNURBEHYCZSBMP-WJDWOHSUSA-N	544.367	2.760	30	40	KFEB	
CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(OCC(=O)O)c([N+](=O)[O-])c1	409307358	UOZCMRPSMCYZIP-UHFFFAOYSA-N	505.281	2.984	30	40	KFEB	
CC(C)(C)OC(=O)NCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cccc(Br)c1	32634594	OJQDALHAPCPZFL-MYKXQOSBSA-N	518.455	2.965	30	40	KFEB	
Cn1c(=O)[nH]c(=O)c2c1nc(N/N=C1\C(=O)Nc3ccc(Br)cc31)n2Cc1ccc(Cl)cc1	97949471	GSNAQLUHHXKNLU-UHFFFAOYSA-N	528.754	2.656	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1cc(Br)c(OC)cc1OC	408954979	PWNYWZYVOGJWQB-DXMAAPQNSA-N	607.458	2.987	30	40	KFEB	
COc1cc(OC)c2c(c1Cl)O[C@@]1(C(=O)C=C(Nc3cc(-c4nnn(CC(=O)O)n4)ccc3O)C[C@H]1C)C2=O	604404126	JXYAZFXPIZBWSD-NDHGSNPTSA-N	555.931	2.720	30	40	KFEB	biogenic
CCN1C(=O)[C@@]2(C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCN2CCOCC2)c2ccccc21	24192896	UALWDMANWYWMPD-QTEAWJPNSA-N	531.609	2.831	30	40	KFEB	
COc1cc(/C=N/Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)ccc1OCc1ccccc1	59392126	IHVHTQZXNMMLHF-OVVQPSECSA-N	505.579	2.578	30	40	KFEB	
CCCN1C(=O)[C@]2(/C(=C(\O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2C[C@@H]2CCCO2)c2ccccc21	102892349	WDRGODIXEQAUIA-QYMCOZLDSA-N	504.539	2.969	30	40	KFEB	
C#CCOc1ccc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc1I	409399011	GZAZQDXTMLABKS-GDNBJRDFSA-N	506.252	2.776	30	40	KFEB	
Cn1ccnc1Sc1ccc(/C=N/Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-]	100269177	UYIIAEYZVQXTSL-OEAKJJBVSA-N	547.575	2.855	30	40	KFEB	
O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C(=O)N1/N=C/c1cc(I)cc(I)c1O	409059738	XIZVPALZHPHAJJ-MJOZPOTKSA-N	560.129	2.988	30	40	KFEB	
COc1ccc(-c2c(C#N)c(N)n([C@H]3OC[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]3OC(C)=O)c(=S)c2C#N)cc1	5540592	ZMIHKEJUFMRJSB-BQUSRXHISA-N	540.554	2.543	30	40	KFEB	
COc1ccc(NC(=O)C[C@H]2S/C(=N\c3ccccc3)N(CCN3CCOCC3)C2=O)c([N+](=O)[O-])c1	15910774	ZQARBZNSRLOOJW-AGHKFTSRSA-N	513.576	2.896	30	40	KFEB	
C=C(C)Cn1c(=O)c2cc3c(nc2n(C)c1=O)C[C@@H](C)[C@]1(Oc2c(Cl)c(OC)cc(OC)c2C1=O)C3=O	1547138339	HYHPTUYCJVRXFX-RYZVSIALSA-N	525.945	2.731	30	40	KFEB	biogenic
CCN1C(=O)[C@]2(C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCN2CCOCC2)c2ccccc21	20440824	VUFIAMQLUFGVPH-MUUNZHRXSA-N	501.539	2.864	30	40	KFEB	
CCCCN1C(=O)[C@]2(C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN2CCOCC2)c2ccccc21	98046830	ZHICSFUQXRYXDB-SSEXGKCCSA-N	547.608	2.669	30	40	KFEB	
CCN1CCN(C(=O)/C(C#N)=c2\s/c(=C\c3cc(Br)c(O)c(OC)c3)c(=O)n2-c2cccc(C)c2C)CC1	102964016	YKGKGZDAFABOAD-HGHSSCRXSA-N	597.535	2.660	30	40	KFEB	
CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=NOCC(=O)N5C[C@H](O)C[C@@H]5C(=O)O)CC[C@]4(C)[C@H]3CC[C@@]21C	253534054	XQSIZZYMZMLQIG-BXFQOOSJSA-N	516.635	2.688	30	40	KFEB	biogenic
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1cc(I)c(OCC(=O)OC)c(I)c1	408944839	GXLFULDNDAGAND-RCMVPCBXSA-N	808.364	2.968	30	40	KFEB	
CCOc1cc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c(Br)c(Br)c1OCC(=O)N1CCOCC1	409409193	UHLIQUAEJHPEBZ-KODHJQJWSA-N	611.287	2.989	30	40	KFEB	
CCOc1c(OC)cccc1[C@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3ccc(OCC#N)cc3)c(=O)n21	408970013	YPBGUBREMRFIAI-QXHVWWCLSA-N	563.632	2.734	30	40	KFEB	
COC(=O)c1ccc([C@H]2C(C(=O)c3cc(Cl)ccc3O)=C(O)C(=O)N2CCN2CCOCC2)cc1	20310353	OLFQDCNXWQSPKH-NRFANRHFSA-N	500.935	2.743	30	40	KFEB	
COc1ccc(CCN2/C(=N\C(=O)Cc3ccc(OC)c(OC)c3)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1	101302908	KQANKBAJZFRKMG-BKYAXRRUSA-N	504.630	2.595	30	40	KFEB	
COc1ccc(OC)c(NC(=O)C[C@H]2S/C(=N\c3cccc(S(=O)(=O)N(C)C)c3)N(CCCN3CCOCC3)C2=O)c1	102962513	MGDVHUGGSKJRIE-FRDMNLSBSA-N	619.766	2.637	30	40	KFEB	
C#C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@@H](C(=O)N[C@H](C(=O)O)[C@@H](C)O)C(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C	118919085	KADOLKXSZIQGGJ-JQAISDPBSA-N	585.742	2.777	30	40	KFEB	
CCOc1c(OC)cccc1[C@@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3ccc(OCC#N)cc3)c(=O)n21	408970012	YPBGUBREMRFIAI-LBKCIFGTSA-N	563.632	2.734	30	40	KFEB	
COC[C@@H](C)N1C(=O)[C@H](CC(=O)Nc2ccccc2)S/C1=N\c1cccc(S(=O)(=O)N(C)C)c1	102962523	IIDAGCAMQLDBKX-PICPZKJQSA-N	504.634	2.932	30	40	KFEB	
O=C(C[C@@H]1S/C(=N/N=C/c2cccs2)NC1=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1	8722409	PGAIVIMDLNVZCN-OVBDPADQSA-N	505.647	2.873	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1cc(I)c(O)c(OC)c1	408940393	BZAIZEHMELYSQP-UWHXHJIVSA-N	640.431	2.526	30	40	KFEB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OCC#N)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1	409346484	OLWDVKIOHRWQFH-XOYGFPHKSA-N	518.551	2.917	30	40	KFEB	
C=CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(C)=O)c(OC)c3)c(=O)n2[C@H]1c1ccccc1	27017424	IERFYHPUFOJJOG-NLZIUFDSSA-N	504.564	2.898	30	40	KFEB	
C=CCNC1=C2C[C@H](C)C[C@H](OC)[C@H](O)[C@H](C)/C=C(\C)[C@H](OC(N)=O)[C@H](OC)/C=C\C=C(/C)C(=O)NC(=CC1=O)C2=O	136233098	AYUNIORJHRXIBJ-SZSMMAPZSA-N	585.698	2.538	30	40	KFEB	
CC[C@H](C)[C@@H](NC(=O)[C@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@@]21C)C(C)C)C(=O)O	217344297	SVMLVPRFQSDMBZ-SCEOMYPCSA-N	674.832	2.869	30	40	KFEB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC#N)c(OC)c3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	408928001	UCMHIHKIOJURCK-ZDQFFALBSA-N	532.622	2.775	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1ccc(OC(C)C)cc1	408956652	RQFFCHFOYAEBAH-DDFSSGQVSA-N	526.590	2.994	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C\c1cc2c(cc1Br)OCO2	408957228	SMDKTADVMDLHNV-QPUQDTJSSA-N	591.415	2.698	30	40	KFEB	
C[C@H](C(=O)Oc1ccc([C@H]2C3=C(Nc4[nH]c(=O)n(C)c(=O)c42)c2ccccc2C3=O)cc1)N1C(=O)c2ccccc2C1=O	1107374	NAYPOEAYVHOLME-QRQCRPRQSA-N	574.549	2.829	30	40	KFEB	
C[C@H]1CO[C@@H](NC(=O)C(F)(F)C(F)(F)C(F)(F)F)[C@H](NC(=O)C(F)(F)C(F)(F)C(F)(F)F)O1	100035305	WUKGAAKKFUAUEK-VPENINKCSA-N	524.205	2.972	30	40	KFEB	
CN1C(=O)/C(=C/c2ccc(OCc3ccccc3C#N)c(I)c2)C(=O)NC1=S	408912826	SFFWLZSDQTZJIC-OVCLIPMQSA-N	503.321	2.998	30	40	KFEB	
COc1ccc(Cl)cc1N1/C(=N\C(=O)CCNC(=O)OC(C)(C)C)S[C@@H]2CS(=O)(=O)C[C@@H]21	32634532	IDVBPYJSFCEMOB-CPRAZTLCSA-N	504.030	2.865	30	40	KFEB	
C=C1[C@@H](O)[C@H]2/C=C\C[C@@H](C)C(=O)[C@](C)(O)/C=C/[C@@H](OC(C)=O)[C@]23C(=O)N[C@H](Cc2ccccc2)[C@@H]3[C@H]1C	104061155	SDZRWUKZFQQKKV-IPXLHRNTSA-N	507.627	2.917	30	40	KFEB	
Oc1c(I)cc(/C=N/Nc2ncc(F)c(N3CCOCC3)n2)cc1I	105978740	GPSGWQQXKQQUMC-IFRROFPPSA-N	569.116	2.813	30	40	KFEB	
C#CCOc1ccc(/C=N/N[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OCC	408944148	GLSAGGNVUINHFQ-XQGAZVOYSA-N	566.611	2.618	30	40	KFEB	
C#CCOc1ccc(Br)cc1/C=N\N[C@H](O)COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OCC	408957463	TUEQTMHVPHASIY-FSQDEPJESA-N	601.454	2.982	30	40	KFEB	
CN(CCO)c1ccc(/C=N/Nc2ccc(S(=O)(=O)Nc3ccccc3C(=O)O)cc2[N+](=O)[O-])cc1	14361244	KRJHDDMEYKJMKP-BUVRLJJBSA-N	513.532	2.968	30	40	KFEB	
O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(S(=O)(=O)NC2CCCCC2)cc1)N=C1C=CC(=[S@](=O)(O)N2CCOCC2)C=C1	409416093	RAGYIOVSMCPLHJ-UHFFFAOYSA-N	708.856	2.898	30	40	KFEB	
C/C=C/C=C/C=C/C1=CC2=C(Cl)C(=O)[C@](C)(OC(=O)C[C@H](O)C[C@@H](C)O)C(=O)C2=CN1[C@@H](C)C(=O)O	1772591223	MBUFZXOVAKJHCX-OEHKZBRTSA-N	519.978	2.700	30	40	KFEB	
COc1c2c(cc3c1[C@H](c1nnnn1C(c1ccccc1)c1ccccc1)[N+](C)(CC(N)=O)CC3)OCO2	8964512	BQRIAQVUYDYWNH-HSGLFRJESA-O	513.578	2.626	30	40	KFEB	
C#CCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N(CCC#N)CCC#N)cc2)sc2cccc(OC)c21	100910120	NEIIFPRPXLBYOF-PNHLSOANSA-N	507.597	2.904	30	40	KFEB	
COc1cc2c(cc1OC)CN(CCCCNC(=O)c1cc(C)ccc1OCCOS(C)(=O)=O)CC2	117430735	KTTCLOUATPWTNB-UHFFFAOYSA-N	520.648	2.936	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1cc(OC)c(OC)cc1Br	408951407	NEZVGYUQIRHZNY-FBPNJDHYSA-N	607.458	2.987	30	40	KFEB	
C#CCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N(CCOC)CCOC)cc2)sc2cccc(OCC)c21	100910463	LRCOWFAWAQIBQF-QPLCGJKRSA-N	531.656	2.759	30	40	KFEB	
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)[C@@]12C(=O)N(C)c1ccccc12	101027188	ZULFSOQMDFYFNP-LJAQVGFWSA-N	566.680	2.522	30	40	KFEB	
O=[N+]([O-])c1ccc(N/N=C2/C=C(S(=O)(=O)O)c3ccccc3/C2=N/Nc2ccc([N+](=O)[O-])cn2)nc1	104364367	DSWXTZOKTQVAPL-SAKKEUGESA-N	510.448	2.820	30	40	KFEB	
CO[C@@H]1[C@H](O[C@@H]2CC[C@]3(C=O)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@@]5(O)[C@@H]4CC[C@]3(O)C2)O[C@@H](C)[C@@H](OC(C)=O)[C@H]1OC	123347974	CPMCFEFLJDDPET-FIDINROXSA-N	620.736	2.629	30	40	KFEB	
C=CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1	8433215	BKCPKYODJAHOAO-AREMUKBSSA-N	563.636	2.917	30	40	KFEB	
CCN(CC)CCN1C(=O)C(=O)/C(=C(/O)c2c(C)[nH]c(C(=O)OC)c2C)[C@@H]1c1ccc(C(=O)OC)cc1	9070290	DBTSIRPAJZSMBP-HFEWCJDKSA-N	511.575	2.968	30	40	KFEB	
CC(C)C[C@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C)C(=O)O	70697865	VALOYVHMTFOAOT-KTQBOELNSA-N	573.683	2.936	30	40	KFEB	biogenic
CCOc1ccc([C@H]2/C(=C(\O)c3c(C)[nH]c(C(=O)OC)c3C)C(=O)C(=O)N2CCCN2CCOCC2)cc1	9334424	DAXZTUWCOFFTRA-UVDRRRQGSA-N	525.602	2.961	30	40	KFEB	
CO[C@H]1[C@@H](OC)[C@H](OC(C)=O)[C@@H](C)O[C@H]1O[C@@H]1CC[C@]2(C=O)[C@H]3CC[C@]4(C)[C@@H](C5=CC(=O)OC5)CC[C@@]4(O)[C@@H]3CC[C@]2(O)C1	118935378	CPMCFEFLJDDPET-QPVSFQNDSA-N	620.736	2.629	30	40	KFEB	
C=C1C(=O)[C@@]23[C@@H]4C[C@@H]5C(C)(C)CC[C@@H](OC(C)=O)[C@]5([C@@H]2[C@@H](OC(C)=O)C[C@@H]1[C@H]3OC(C)=O)[C@@H]4OC(C)=O	100643890	SMWBUUIWYWVARM-APHGWMBKSA-N	516.587	2.931	30	40	KFEB	
C[C@H]1CO[C@H](NC(=O)C(F)(F)C(F)(F)C(F)(F)F)[C@H](NC(=O)C(F)(F)C(F)(F)C(F)(F)F)O1	100035300	WUKGAAKKFUAUEK-VAYJURFESA-N	524.205	2.972	30	40	KFEB	
C#CCOc1ccccc1/C=c1/sc2n(c1=O)[C@H](c1ccc(OCC)c(OCC)c1)C(C(=O)OC)=CN=2	408943774	MAWURCWHWFPTMR-NPWCAHBGSA-N	518.591	2.828	30	40	KFEB	
CN(C)S(=O)(=O)c1ccc(/C(O)=C2\C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccc(Br)c2)cc1	101101132	DFLHEUULMFXPDC-AYWGPLOBSA-N	592.512	2.843	30	40	KFEB	
COc1ccc(N2/C(=N\C(=O)Cc3ccc(OC)c(OC)c3)S[C@@H]3CS(=O)(=O)C[C@H]32)c(OC)c1	101312795	QRIAUSZYOSFMHH-AYSAVRDBSA-N	506.602	2.565	30	40	KFEB	
O=C(O)CCCCCNS(=O)(=O)c1ccc2c(c1)C(=NO)c1cc(S(=O)(=O)NCCCCCC(=O)O)ccc1-2	102415295	CQNRQFFADQOKDI-UHFFFAOYSA-N	581.669	2.740	30	40	KFEB	
COC(=O)[C@H]1C[C@@H](O)CN1C(=O)CO/N=C1/C=C2CC[C@H]3[C@@H]4CC[C@](O)(C(C)=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1	118918466	CJKRIXOGACCXAJ-BFFHUOMGSA-N	530.662	2.777	30	40	KFEB	
C#CCOc1c(/C=N\N[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc(I)cc1OC	408952027	NTHRIWQVGULYNG-FZBVERTKSA-N	678.480	2.832	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C\c1cc(Br)ccc1O	408959145	YMLOFNKBQLBAGM-DBFADYJMSA-N	563.405	2.675	30	40	KFEB	
CC(=O)O[C@@H]1CO[C@@H](n2c(N)c(C#N)c(-c3ccccc3)c(C#N)c2=S)[C@H](OC(C)=O)[C@@H]1OC(C)=O	5540581	MGXBCCDROORAHJ-KTDPBYDISA-N	510.528	2.534	30	40	KFEB	
NS(=O)(=O)c1ccc(/N=C/c2cc(I)cc(I)c2O)cc1	100036057	CDLHPDAAOKTWLE-REZTVBANSA-N	528.109	2.999	30	40	KFEB	
COC(=O)c1[nH]c(C)c(/C(O)=C2\C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccc(Cl)c2)c1C	102508407	OGJAXFSYDLISIK-PGVNHDJNSA-N	501.967	2.825	30	40	KFEB	
C=CCOc1ccc([C@@H]2/C(=C(\O)c3ccc(S(=O)(=O)N(C)C)cc3)C(=O)C(=O)N2CCOC)cc1	102895022	ZPTOIEJIYJLQSL-HOGKFDNTSA-N	500.573	2.570	30	40	KFEB	
CCN(CC)C(=O)[C@@H]1CCCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2N/N=C/c2cc([N+](=O)[O-])ccc2N2CCN(C)CC2)C1	103764055	BAATXVLIRIRYKG-LBGKPPMZSA-N	630.728	2.970	30	40	KFEB	
C#C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@H](C(=O)N[C@@H](C(=O)O)[C@@H](C)O)C(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C	118919086	KADOLKXSZIQGGJ-FLTDUYTLSA-N	585.742	2.777	30	40	KFEB	
CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C(=O)C(N)=C(NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O	245226352	SMPJCQGFZSDIHE-YCAOPTPSSA-N	710.777	2.917	30	40	KFEB	
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NCc1ccccn1	70697177	ZRRGVFNBIQCWFU-QBRHEHFTSA-N	550.652	2.600	30	40	KFEB	biogenic
COc1nc(N/N=C/c2cc(Br)cc(Br)c2OC)nc(N2CCOCC2)n1	408718244	FFAMSFVRURGXOH-DJKKODMXSA-N	502.167	2.696	30	40	KFEB	
COc1cc([C@H]2C3=C(C[C@@H](C)[C@]4(Oc5c(Cl)c(OC)cc(OC)c5C4=O)C3=O)Nc3c2c(=O)n(C)c(=O)n3C)ccc1O	524732060	VRIVRPHVJICXEY-ZXSLXWSKSA-N	610.019	2.903	30	40	KFEB	biogenic
CC(=O)Nc1ccc(S(=O)(=O)NC2=C([n+]3cn(C)c4ccccc43)C(=O)c3ccccc3C2=O)cc1	6055914	HUDLBHIPCVEXQG-UHFFFAOYSA-O	501.544	2.651	30	40	KFEB	
COc1cc(/C=N/Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)ccc1OCc1ccccc1F	59418289	IWFKARABBDDCNS-OGLMXYFKSA-N	523.569	2.718	30	40	KFEB	
CC(C)C[C@@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)C(=O)O	70692073	ZVHQVQOJWRLBNC-RUOMQGBRSA-N	575.699	2.728	30	40	KFEB	biogenic
COC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C	70692229	LSBAJWCLHNATOA-CJHXIQTOSA-N	639.742	2.719	30	40	KFEB	biogenic
CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N\OCC(=O)N5C[C@H](O)C[C@@H]5C(=O)O)CC[C@]4(C)[C@H]3CC[C@@]21C	85902453	XQSIZZYMZMLQIG-ARKHJJSZSA-N	516.635	2.688	30	40	KFEB	
CN/N=C(\C(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H](c1cnc2ccc([N+](=O)[O-])cc2n1)[N+](=O)[O-]	102977417	KKNHFQQLPYQEGG-AFSAKMMISA-N	522.356	2.997	30	40	KFEB	
COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCN2CCOCC2)c1	8827757	MASXLGARJWOYQD-RUZDIDTESA-N	524.570	2.776	30	40	KFEB	
COc1ccc(OC)c([C@H]2/C(=C(\O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCCN2CCOCC2)c1	102726577	BIQHZXRXILYCCW-IUKMQXEJSA-N	524.570	2.619	30	40	KFEB	
CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)CN1CCOCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[C@]1(C)CO1	164214637	BLMPQMFVWMYDKT-IKKRJENISA-N	719.924	2.584	30	40	KFEB	in-vitro
C=CCn1c(CNC(=O)c2ccccc2C)nnc1SCC(=O)Nc1cccc(C(=O)N2CCOCC2)c1	409364070	VPCVVIIYAHYINK-UHFFFAOYSA-N	534.642	2.906	30	40	KFEB	
C=C(CC[C@H](O)[C@]1(C)CC[C@H](C(C)(C)O[C@@H]2O[C@H](COC)[C@H](O)[C@H](O)[C@@H]2NC(C)=O)O1)[C@@H]1CC[C@@H]2[C@]3(C)CC[C@H](C(C)(C)O[C@@H]4O[C@H](COC)[C@H](O)[C@H](O)[C@@H]4NC(C)=O)O[C@@H]3CC[C@]12C	1772591100	GCZBXFCUKBFLTN-HRAPZFLDSA-N	927.183	2.788	30	40	KFEB	
c1ccc(CC23CN4CCN(CC(C4)/C2=N\N=C2/C4CN5CCN(C4)CC2(Cc2ccccc2)C5)C3)cc1	22938940	XCAOLZVVOKXBBD-BNRZXNFUSA-N	508.714	2.764	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1ccc(OCC(=O)OC)c(Br)c1	408958906	XHONYGBCXSAEOZ-CADZONQXSA-N	635.468	2.521	30	40	KFEB	
COc1c([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCN2CCCC2)cc2c(c1OC)OCO2	85413525	PXOYGRPGSIFURW-NRFANRHFSA-N	524.526	2.835	30	40	KFEB	
COc1cc([C@H]2C3=C(c4ccccc4C3=O)N(C(C)=O)c3c2c(=O)n(C)c(=O)n3C)cc(Br)c1OC(C)=O	100415664	RIOJQLFZKADBAK-IBGZPJMESA-N	580.391	2.886	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1cc([N+](=O)[O-])ccc1N(CC)CC	408938466	ALKWCLVLIRVVOW-WOEPFXTOSA-N	584.630	2.962	30	40	KFEB	
C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)cc3)c(=O)n2[C@@H]1c1ccc(OC)cc1	2281932	DVVBXGLXGGTJQR-DLBLZJNESA-N	504.564	2.898	30	40	KFEB	
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cc(OC)c(OC)c(OC)c2)c1C	9273756	ZLHFLCMFHFHARE-QFIPXVFZSA-N	529.590	2.974	30	40	KFEB	
CCCN1C(=O)[C@]2(C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2CCCN2CCOCC2)c2ccccc21	24147518	PRDFFGTWDYRZGJ-GDLZYMKVSA-N	519.598	2.907	30	40	KFEB	
CC(C)N1C(=O)[C@H](CC(=O)Nc2cccc([N+](=O)[O-])c2)S/C1=N\c1ccc(S(=O)(=O)N2CCOCC2)cc1	97982123	WZEMPNWBQANOCB-TYGLDRHGSA-N	561.642	2.984	30	40	KFEB	
CCOc1cc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c(Br)c(Cl)c1OCC(=O)N1CCOCC1	409407705	NTTCBELOYGLQED-KODHJQJWSA-N	566.836	2.880	30	40	KFEB	
CCOc1cc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc(I)c1O[C@H](C)C(=O)O	409408822	ZMSBWZDADDTGCP-ZMPPFODHSA-N	524.311	2.683	30	40	KFEB	
Cc1c(Cl)ccc2c1NC(=O)[C@]21N[C@H](CCC(N)=O)[C@H]2C(=O)N(c3sc4c(c3C#N)CCCC4)C(=O)[C@H]21	2221473	LFVZVNRHLHUCRK-DBJLNPBZSA-N	538.029	2.651	30	40	KFEB	
COc1cc(/C=N/Nc2nc(N3CCCC3)nc(N3CCCC3)n2)cc(Br)c1OCC(=O)O	9310297	COHFOIDWAHDELA-FSJBWODESA-N	520.388	2.753	30	40	KFEB	
COCCOC(=O)C1=C(N)OC2=C(C(=O)Cc3ccccc32)[C@@]12C(=O)Nc1ccc(Br)cc12	12656631	PWCYNPORRMUHAH-XMMPIXPASA-N	511.328	2.566	30	40	KFEB	biogenic
CCN1C(=O)[C@@]2(C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2CCCN2CCOCC2)c2ccccc21	24192900	IHYIARNHFRIBFD-LJAQVGFWSA-N	519.598	2.825	30	40	KFEB	
COc1c([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN2CCCC2)cc2c(c1OC)OCO2	100255730	BQGNPVQGFRIZMG-QFIPXVFZSA-N	538.553	2.878	30	40	KFEB	
COc1cc(OC)c(N2/C(=N\C(=O)CCNC(=O)OC(C)(C)C)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1Cl	101310294	KVPWAOHLOYRLFQ-LTEJYZROSA-N	534.056	2.873	30	40	KFEB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC#N)c(OC)c3)c(=O)n2[C@@H]1c1ccc(F)cc1	408817135	VHYTVRBQDFKWRE-LJJBLSSYSA-N	507.543	2.848	30	40	KFEB	
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cc(OC)c(OC)cc2OC)c(O)c1	20309748	ULCGFSMJVFLKHA-HSZRJFAPSA-N	500.548	2.957	30	40	KFEB	
C=CCNC1=C2C[C@H](C)C[C@@H](OC)[C@H](O)[C@H](C)/C=C(/C)[C@@H](OC(N)=O)[C@@H](OC)/C=C\C=C(\C)C(=O)NC(=CC1=O)C2=O	100006250	AYUNIORJHRXIBJ-SPVIYHANSA-N	585.698	2.538	30	40	KFEB	in-vitro
CCOc1ccccc1NC(=O)C[C@@H]1S/C(=N\c2cccc(S(=O)(=O)N3CCOCC3)c2)N(C)C1=O	102929250	CKMXMIMUVIXAIC-VHAJSEAWSA-N	532.644	2.696	30	40	KFEB	
C#CCOc1c(I)cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)cc1OC	205908915	GGNAQOBEMCHVRM-LFIBNONCSA-N	526.352	2.971	30	40	KFEB	
Cc1cc(I)cc(/C=N/Nc2nc(=Nc3ccccc3)nc(N3CCOCC3)[nH]2)c1O	408974517	ATIBUWVSXKNFIR-YDZHTSKRSA-N	531.358	2.938	30	40	KFEB	
C/C(NC(=O)[C@@H](Cc1c(C)[nH]c2ccccc12)NC(=O)[C](N)Cc1cnc[nH]1)=C(\O)N=C(Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O	1560410231	SIOSMQQREZTSFQ-VQRWXNRVSA-N	884.035	2.815	30	40	KFEB	
C[C@@H]1CO[C@@H](NC(=O)C(F)(F)C(F)(F)C(F)(F)F)[C@H](NC(=O)C(F)(F)C(F)(F)C(F)(F)F)O1	100035303	WUKGAAKKFUAUEK-UOWFLXDJSA-N	524.205	2.972	30	40	KFEB	
C#C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@H](C(=O)N5C[C@@H](O)C[C@@H]5C(=O)O)C(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C	118921202	CISVREYUELBLRR-AACJDRAXSA-N	597.753	2.873	30	40	KFEB	
C#CCOc1c(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OCC(=O)OC)c(OCC)c2)C(C(=O)OCC)=C(C)N=3)cccc1OC	409029627	BYYWVTHNLQBIIY-DBLMTGOPSA-N	620.680	2.769	30	40	KFEB	
C=CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OC(C)=O)c(=O)n2[C@@H]1c1ccc(OC)cc1	13766061	ZPORIFUHMZNOJB-WLGHQHAYSA-N	504.564	2.898	30	40	KFEB	
CC(=O)O[C@H](C)[C@H]1C2=C(C(=O)C[C@]1(C)O)C(=O)c1c(ccc(-c3ccc4c(c3O)C(=O)C3=C(C4=O)[C@H]([C@@H](C)OC(C)=O)[C@](C)(O)CC3=O)c1O)C2=O	72127757	JGYMCVKOAWXEOB-VXDZGABQSA-N	714.676	2.699	30	40	KFEB	
COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)CO/N=C1/C=C2CC[C@H]3[C@@H]4CC[C@](O)(C(C)=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1	118918468	CJKRIXOGACCXAJ-HSPIFEQJSA-N	530.662	2.777	30	40	KFEB	
C#CCn1cc(/C=N\N[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)c2ccccc21	408941957	DEJDPOGKCOOQGS-JQDFJLOASA-N	545.596	2.795	30	40	KFEB	
C=CCN1C(=O)/C(=c2/sc3n(c2=O)[C@H](c2ccc(N(C)C)cc2)C(C(=O)OCC)=C(C)N=3)c2ccccc21	409386754	GBEQWNWVZKTWJC-SBXHHDGASA-N	528.634	2.767	30	40	KFEB	
C=CCN1C(C(=O)c2ccccc2)=C(NC(=O)CN2C(=O)c3ccccc3C2=O)c2ccccc2S1(=O)=O	1405758	AHIDNNNCNWAVAU-UHFFFAOYSA-N	527.558	2.841	30	40	KFEB	
CC(C)(C)OC(=O)NCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Br)cc1	32635164	OBFDVIHITAPEHO-LFCDXNAJSA-N	504.428	2.575	30	40	KFEB	
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NCCc1ccc(O)c(O)c1	70692184	KURRBQDJFMJEPP-REFOUDIZSA-N	597.705	2.883	30	40	KFEB	biogenic
CC(C)(CNC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C)[C@@H](O)C(=O)O	70698365	MMZHKHGTQIESKL-XUISRHSISA-N	575.699	2.730	30	40	KFEB	biogenic
CCOc1cc(Br)c(N2/C(=N\C(=O)CC#N)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1OCC	101311224	XJIXEAODQIKGOG-GXRMVNOGSA-N	502.412	2.762	30	40	KFEB	
CCOc1cc(/C=N\Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)ccc1OCC(=O)N1CCOCC1	409200908	TZQZIQITFDHEIQ-BRPDVVIDSA-N	552.680	2.935	30	40	KFEB	
C=CC(C)(C)OC[C@@H]1O[C@H](O[C@H]2C3=C([C@H](C)COC(C)=O)C[C@@H](O)[C@]3(C)C=C3[C@H](COC)CC[C@@H]3[C@@H](C)[C@@H]2O)[C@@H](O)[C@H](OC(C)=O)[C@H]1O	53683288	KXTYBXCEQOANSX-UHQKUCIHSA-N	680.832	2.608	30	40	KFEB	in-vivo
C=CCOc1ccc(/C=N/N[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OC	408957422	SXUDEOMNJGEXRJ-SVRGBRSRSA-N	554.600	2.781	30	40	KFEB	
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=C/C(=N/OCC(=O)N[C@@H](Cc5c[nH]c6ccccc56)C(=O)O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO	118919013	KLXRCIONDXDWCO-WXHCQTDUSA-N	621.731	2.879	30	40	KFEB	
C=CCN(c1ccc(C(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1)S(C)(=O)=O	224376134	LRUKCJDTPCNMPN-UHFFFAOYSA-N	521.661	2.622	30	40	KFEB	
C#CCOc1cccc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OCC(=O)OC)c(OCC)c2)C(C(=O)OCC)=C(C)N=3)c1	409033458	FJACOWKJUQWGEH-STEKTNRRSA-N	590.654	2.761	30	40	KFEB	
CCOC(=O)[C@@H](C)Oc1c(I)cc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1OC	409402839	GHDWFVOIBGWCHE-RUUSSUOPSA-N	538.338	2.771	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1cc([N+](=O)[O-])ccc1N(CC)CC	408938464	ALKWCLVLIRVVOW-MLPXVHMNSA-N	584.630	2.962	30	40	KFEB	
CC(=O)O[C@@H]1C[C@H](O[C@H]2CC[C@]3(C=O)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)O[C@H](C)[C@H]1OC(C)=O	70680455	PHSBHTPVOGIRQM-WVYVHAIFSA-N	618.720	2.921	30	40	KFEB	biogenic
C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)cc3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1	1829566	DNUKWTKPHHFBQB-YMSBRDKKSA-N	506.580	2.990	30	40	KFEB	
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N[C@@H](Cc1ccccc1)C(=O)O	70698144	QSQUMTHHMINFDZ-PHBXKJKFSA-N	609.716	2.925	30	40	KFEB	biogenic
COc1cc([C@H]2/C(=C(\O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN2CCOCC2)cc(Br)c1O	102550408	JWHUMJSOOGMNAI-MOBKVPTQSA-N	575.412	2.688	30	40	KFEB	
CCOc1cc(Br)c(Br)c(/C=N\Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)c1O	104009877	HLHREYZENPGSLK-FMCGGJTJSA-N	587.273	2.620	30	40	KFEB	
C=CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)N(CC=C)c4ccccc43)c(=O)n2[C@@H]1c1ccc(OC)cc1	2287482	SKMUXEGYEHQXNX-QQYUXEJHSA-N	527.602	2.876	30	40	KFEB	
Cc1cc(Br)c(N2/C(=N/C(=O)CCC(=O)O)S[C@H]3CS(=O)(=O)C[C@H]32)c(Br)c1	101240025	SFXGQULDYWYMND-CAYLLJQQSA-N	540.255	2.986	30	40	KFEB	
CCCCCCC[C@H](Oc1cc(O)c2c(=O)c(-c3ccc(O[C@H]4O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]4O)cc3)coc2c1)C(=O)OC	254744057	MPYCQJDTFYUOKP-BBZIGTPSSA-N	602.633	2.625	30	40	KFEB	
CC(=O)OC[C@@H]1O[C@@H](n2c(C)cc(-c3ccco3)c(C#N)c2=S)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	5955308	GFBCPZRUOVRRAL-ODTAKUCXSA-N	546.554	2.913	30	40	KFEB	
CCCN1C(=O)[C@]2(/C(=C(\O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCCN(C)C)c2ccccc21	102580220	NARIUWSAIXKOCF-LYJWTBIJSA-N	505.571	2.742	30	40	KFEB	
CN/N=C(/C(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H](c1cnc2ccc([N+](=O)[O-])cc2n1)[N+](=O)[O-]	103844592	KKNHFQQLPYQEGG-DCMOEJRUSA-N	522.356	2.997	30	40	KFEB	
C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(F)cc2)C(C(=O)OCC)=C(C)N=3)cc1OC	408802039	YGBQTKWDPQYTKN-DLBLZJNESA-N	506.555	2.958	30	40	KFEB	
COC(=O)c1ccc([C@@H]2/C(=C(\O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCN2CCOCC2)cc1	102650050	AFTDNBKGIQVZAS-IYGWJSLMSA-N	506.555	2.551	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C\c1ccc(C)c(OC)c1	408940356	BXDOLCJKWXLXBB-FOFBPULZSA-N	512.563	2.524	30	40	KFEB	
CO[C@@H]1[C@@H](O[C@@H]2O[C@H](C)[C@H](O[C@@H]3C[C@](C)(O)[C@H](O)[C@H](C)O3)[C@H](N(C)C)[C@@H]2O)[C@@H](CC=O)C[C@@H](C)[C@@H](O[C@@H]2CC[C@@H](N(C)C)[C@H](C)O2)/C=C/C=C/C[C@@H](C)OC(=O)C[C@H]1OC(C)=O	575133003	ZPCCSZFPOXBNDL-KSQROWADSA-N	885.102	2.896	30	40	KFEB	
O=C(NCCCCCCO)C(F)(F)C(F)(F)O[C@@](F)(C(=O)NCCCCCCO)C(F)(F)F	102055257	NJCXFRNRSUAAJQ-INIZCTEOSA-N	504.415	2.797	30	40	KFEB	
C#CCN1C(=O)S/C(=C/c2cc(I)c(OCC(=O)OC)c(OCC)c2)C1=O	408916787	HKHCNUIHKBYKGW-NTEUORMPSA-N	501.298	2.911	30	40	KFEB	
C=CCNC1=C2C[C@H](C)C[C@H](OC)[C@H](O)[C@H](C)/C=C(\C)[C@@H](OC(=N)O)[C@@H](OC)/C=C\C=C(/C)C(=O)NC(=CC1=O)C2=O	521205724	AYUNIORJHRXIBJ-INYKWCIVSA-N	585.698	2.952	30	40	KFEB	
CCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cccc(OC)c1OCC(=O)N1CCOCC1	1531117442	ZKQKRWZVBXURCO-VULFUBBASA-N	529.391	2.850	30	40	KFEB	
CCOC(=O)/C(=N\Nc1nc2c(c(=O)n(C)c(=O)n2C)n1C/C=C/c1ccccc1)c1ccc(C)cc1	32934946	QABIVKNXPCTQKV-MZHDLALPSA-N	500.559	2.835	30	40	KFEB	
CCOC(=O)c1[nH]c(C)c(/C(O)=C2\C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccc(OC)c2OC)c1C	102875967	QSODEOVUHIDZHK-UVDRRRQGSA-N	555.628	2.969	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C\c1cccc(OC(C)C)c1	408937884	ACXUCHWCFHZHQR-ICORMZBLSA-N	526.590	2.994	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1cc(OC)c(O)cc1Br	408954389	PLMLXUBEBBMORF-ZLELVPKXSA-N	593.431	2.684	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1cc(I)c(OC)c(OC)c1	408959033	YAWJXEWJJJHKFK-QPXJVWDBSA-N	654.458	2.829	30	40	KFEB	
CN1/C(=C/C(=O)COC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)C(C)(C)c2ccccc21	3291942	FVMJCDGXOPCHKK-OEAKJJBVSA-N	502.564	2.884	30	40	KFEB	
NC(=S)N/N=C1\C[C@H](n2nc(-n3nc(-c4ccccc4)cc3-c3ccccc3)n(N)c2=S)[C@@H]2CO[C@H]1O2	104087043	PVVAXQAEUKPXFZ-NWUJUHCJSA-N	533.643	2.523	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C\c1ccc(OC(C)=O)c(Br)c1	408957054	SAWCCZWBUXEBRR-MREIPRPDSA-N	605.442	2.895	30	40	KFEB	
C/C=C/C=C/C=C/C1=CC2=C(Cl)C(=O)[C@](C)(OC(=O)C[C@H](O)C[C@H](C)O)C(=O)C2=CN1[C@@H](C)C(=O)O	1772591224	MBUFZXOVAKJHCX-WUWXFMDJSA-N	519.978	2.700	30	40	KFEB	
COc1ccc([C@@H]2/C(=C(\O)c3c(C)nc4ccccn34)C(=O)C(=O)N2CCCN2CCOCC2)cc1OC	102539879	WQRUZVJLBRWEDL-KQAPWQHSSA-N	520.586	2.804	30	40	KFEB	
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCN2CCOCC2)cc1	8827754	ZNXFOYBXPULUJD-DEOSSOPVSA-N	522.554	2.545	30	40	KFEB	
COc1cc([C@H]2/C(=C(\O)c3sc(C)nc3C)C(=O)C(=O)N2CCN2CCOCC2)cc(OC)c1OC	102485560	RZCFMXLXFLVIKR-NHFXJNLRSA-N	517.604	2.540	30	40	KFEB	
C=CCn1c(SCC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2Cl)nc2cc(C(=O)O)ccc2c1=O	103117974	ZSUATOUNSDMWAQ-UHFFFAOYSA-N	537.019	2.915	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C\c1cc(Br)ccc1OC	408952370	OANURRKTZFDMTD-YNQPSPPSSA-N	577.432	2.978	30	40	KFEB	
C#C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@H](C(=O)N[C@H](CC(=O)O)C(=O)O)C(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C	118921204	WYUHHNBNAWYJMG-SSSAJMGWSA-N	599.725	2.871	30	40	KFEB	
CC[C@@H]1OC(=O)C[C@@H](O)[C@@H](C)[C@@H](O[C@H]2O[C@@H](C)C[C@@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)C(=O)/C=C\[C@]2(C)O[C@@H]2[C@H]1C	101056550	IUPCWCLVECYZRV-LIKPRZADSA-N	581.747	2.670	30	40	KFEB	
C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(OCC)c1OCC(=O)OC	9323844	KAGIAHQQUJWSKS-VCHYOVAHSA-N	508.483	2.761	30	40	KFEB	
C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)OCC(=O)N(C)[C@H]2CCS(=O)(=O)C2)c1	17466429	IFHMKYNCLKFIGB-SFHVURJKSA-N	541.047	2.524	30	40	KFEB	
COc1c(/C=N\N=c2[nH]c3nonc3[nH]c2=Nc2ccc(Br)cc2)cc([N+](=O)[O-])cc1[N+](=O)[O-]	408720646	AZXRNBWAYAMQSJ-ZBKNUEDVSA-N	530.255	2.634	30	40	KFEB	
COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCN2CCOCC2)cc(OC)c1OC	97969599	DTYNHPIRBJSNMK-VWLOTQADSA-N	554.596	2.784	30	40	KFEB	
COc1cc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)cc(I)c1OCC(N)=O	409220407	YVQWGFUPOCJPRX-UHFFFAOYSA-N	522.339	2.865	30	40	KFEB	
C=C(CCC=C(C)C)[C@@H]1CC[C@@]2(C)[C@H]1[C@@H](O)C[C@H]1[C@]3(C)CC[C@@H](O[C@H]4O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]4O[C@H]4O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]4O)C(C)(C)[C@H]3CC[C@@]12C	1529054574	KWDWBAISZWOAHD-CJPYSKEDSA-N	767.010	2.954	30	40	KFEB	
CCc1c(C)c(C#N)c(=S)n([C@@H]2O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]2OC(C)=O)c1C	5956166	GINFPTWSKPUPFL-VJFDXUIRSA-N	522.576	2.524	30	40	KFEB	
CN1C(=O)/C(=N\Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCN(c3ccccc3)CC2)c2ccccc21	100260687	FXQMAYAIPICBCL-PNHLSOANSA-N	520.571	2.898	30	40	KFEB	
C=CCOc1cccc([C@@H]2/C(=C(\O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN2CCOCC2)c1	9244033	FDCXLLONSVAFCP-NPJIAGGLSA-N	506.555	2.777	30	40	KFEB	
COC[C@H](C)OC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCN(Cc2ccc3c(c2)OCO3)CC1	57063750	GEKQBGNRBCZKSD-AZUAARDMSA-N	503.559	2.866	30	40	KFEB	
COc1cc([C@@H]2/C(=C(\O)c3c(C)nc4c(C)cccn34)C(=O)C(=O)N2CCN2CCOCC2)cc(OC)c1OC	102502794	PMYPYKLEOZBFEH-ZZIWUOEGSA-N	550.612	2.731	30	40	KFEB	
CC(=O)O[C@H]1[C@H](C)O[C@@H](O[C@H]2CC[C@]3(C=O)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)C[C@H]1OC(C)=O	70680453	PHSBHTPVOGIRQM-ISPRLGOJSA-N	618.720	2.921	30	40	KFEB	biogenic
C=CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OC)c(OC)c3)c(=O)n2[C@@H]1c1ccccc1	11614311	QCUNQJHYEYMVQG-JDCXBEBJSA-N	506.580	2.990	30	40	KFEB	
COc1cc([C@@H]2C(C(=O)c3c(C)nc4c(C)cccn34)=C(O)C(=O)N2CCN2CCOCC2)cc(OC)c1OC	97966891	QOKPZOHVLHLQQD-XMMPIXPASA-N	550.612	2.887	30	40	KFEB	
COc1cccc([C@H]2/C(=C(\O)c3cnn(-c4ccccc4)c3C)C(=O)C(=O)N2CCN2CCOCC2)c1OC	102859045	NHWUUBKOZXSMDD-IUKMQXEJSA-N	532.597	2.952	30	40	KFEB	
CCOC(=O)C(COS(=O)(=O)c1ccc(C)cc1)(COS(=O)(=O)c1ccc(C)cc1)C(=O)OCC	105254534	VXKFVDGPZSBSCI-UHFFFAOYSA-N	528.601	2.527	30	40	KFEB	
CCOC(=O)COc1c(/C=N\N[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc(I)cc1OC	408958791	WTFBSAZSVZKJJF-YSIUDXQCSA-N	726.521	2.762	30	40	KFEB	
COc1ccc(-c2c(C#N)c(N)n([C@H]3OC[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]3OC(C)=O)c(=S)c2C#N)cc1	5540590	ZMIHKEJUFMRJSB-YJRNTSOCSA-N	540.554	2.543	30	40	KFEB	
CCCOc1ccc(/C=N/N[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1	408946232	IGUVQTDMERTNKH-VFCBNBPQSA-N	526.590	2.996	30	40	KFEB	
COc1ccc(-c2c(C(C)=O)c(-c3ccccc3)n([C@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]3O)c(=S)c2C#N)cc1	5956221	QVTGJGCRDSYEJT-OEPYWHFISA-N	522.579	2.607	30	40	KFEB	
CCc1ccccc1NC(=O)/C(CC(=O)c1c(C)[n+]([O-])c2ccccc2[n+]1[O-])=N/NS(=O)(=O)c1ccc(C)cc1	104285312	KEUYJKKLYMVQHO-JJKYIXSRSA-N	561.620	2.832	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C\c1ccc(OC(C)=O)c(OCC)c1	408956418	RLEXHPSQLNQMGC-UJPZYCPGSA-N	570.599	2.531	30	40	KFEB	
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CSC(=S)N1CCOCC1	8789004	FSLUFISMHLNHBZ-OKKNSTDLSA-N	505.702	2.916	30	40	KFEB	biogenic
C=CCN1C(=O)[C@]2(C(C(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)=C(O)C(=O)N2CCCN(C)C)c2ccccc21	98046923	UBWWZUXNNVFHOT-SSEXGKCCSA-N	578.691	2.688	30	40	KFEB	
C=C1C(=O)[C@]23[C@@H](OC)C[C@H]4[C@@]5(CCC[C@@]4(C)[C@H](OC(C)=O)OC5)[C@@H]2[C@@H](OC(C)=O)C[C@@H]1[C@H]3OC(C)=O	100359342	XOXTWFJKCXPOAK-QZMMLURMSA-N	504.576	2.742	30	40	KFEB	
COC1=C[C@]2(CC(C)(C)N3C(=O)[C@@]4(C(C(=O)c5ccc(OC)cc5)=C(O)C(=O)N4c4ccccc4O)C(C(N)=O)=C32)C(C)=CC1=O	604405171	LLBKVPMXUOVHFX-SZAHLOSFSA-N	625.634	2.991	30	40	KFEB	biogenic
CCOc1ccccc1/C=N\N[C@@H](O)COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OCC	408944527	GSYQIJVZFLSYGW-HNXJIWDESA-N	512.563	2.606	30	40	KFEB	
C[C@]12C[C@H](O)[C@@H]3[C@H](CCC4=CC(=O)C=C[C@@]43C)[C@H]1CC[C@@]2(O)C(=O)COC(=O)CCC(=O)NCCc1ccc(O)cc1	504727825	LZCJFDGCDDYNIX-FNLMBBSHSA-N	579.690	2.953	30	40	KFEB	
COc1cc(OC)c2c(c1Cl)O[C@@]1(C(=O)C=C(Nc3cccc(N(CC(N)=O)S(C)(=O)=O)c3)C[C@H]1C)C2=O	604406247	ZOENIOJARCZRGM-SHZVTRLKSA-N	564.016	2.527	30	40	KFEB	biogenic
COC1=C2C[C@H](C)C[C@H](OC)[C@H](O)[C@H](C)C=C(C)[C@@H](OC(=N)O)[C@@H](OC)C=CC=C(C)C(=O)NC(=C(O)C1=O)C2=O	958322912	JBGGGJXLNZQZKM-CYELJJMNSA-N	576.643	2.708	30	40	KFEB	biogenic,in-vitro
COc1ccccc1NC(=O)COc1ccc(/C=N/Nc2ncc(F)c(N3CCOCC3)n2)cc1OC	8722648	CMTQUVDJSFNZFJ-CCVNUDIWSA-N	510.526	2.933	30	40	KFEB	
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc([N+](=O)[O-])cc2)c1C	8838013	FEQASOQJSWKEKV-QFIPXVFZSA-N	526.546	2.627	30	40	KFEB	
COC(=O)c1ccc([C@H]2/C(=C(\O)c3ccc(Br)cc3)C(=O)C(=O)N2CCN2CCOCC2)cc1	102530077	KYFQSNGWTWOCPM-MRJHHRETSA-N	529.387	2.990	30	40	KFEB	
CCOc1ccc([C@@H]2/C(=C(\O)c3ccc(S(=O)(=O)N(C)C)cc3)C(=O)C(=O)N2CCCOC)cc1OC	102558450	NHLVOADBWLDXOS-ZHHPLPSFSA-N	532.615	2.802	30	40	KFEB	
O=C1Nc2ccccc2/C1=N/Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1	103766098	YCRBDAVIDKPMCL-UHFFFAOYSA-N	564.580	2.598	30	40	KFEB	
O=C(c1ccc(Cl)c(/N=C2\N[C@H]3CS(=O)(=O)C[C@H]3S2)c1)N1CCN(c2ccc(F)cc2)CC1	9529943	ZARBLTIZGFBGTG-VQTJNVASSA-N	509.028	2.931	30	40	KFEB	
COC(=O)[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C	79216841	HDTGZBPEDNNDJK-POSQULBESA-N	682.723	2.835	30	40	KFEB	biogenic
COCCN1C(=O)C(=O)/C(=C(/O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)[C@H]1c1cccc(OC)c1	102546094	TVXMYCSKKIRTOA-ZHHPLPSFSA-N	514.600	2.938	30	40	KFEB	
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cc(OC)c(OC)c(OC)c2)c1C	97967146	DSIVPTVWLWZJQS-DEOSSOPVSA-N	571.627	2.745	30	40	KFEB	
CCOC(=O)c1[nH]c(C)c(/C(O)=C2\C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(OC)c(OC)c2)c1C	102864106	DAQVHXOTYAVCJO-KQAPWQHSSA-N	555.628	2.969	30	40	KFEB	
CC(C)(CO)NS(=O)(=O)c1ccc2c(c1)C(=NNc1ccccc1)c1cc(S(=O)(=O)NC(C)(C)CO)ccc1-2	102884663	CLLVSYHTXYWWOD-UHFFFAOYSA-N	572.709	2.630	30	40	KFEB	
COc1cc(OC)c2c(c1Cl)O[C@]1(C(=O)/C(=C\NCc3nc(CS(=O)(=O)c4ccccc4)no3)C(=O)C[C@@H]1C)C2=O	1547211104	NSWFILUDZQEVHG-UCNINKEYSA-N	602.021	2.880	30	40	KFEB	
CCCN1C(=O)[C@]2(C(C(=O)c3ccc(OCC)cc3)=C(O)C(=O)N2CCN2CCOCC2)c2ccccc21	24147438	ZTSVTJOPPQHQPH-GDLZYMKVSA-N	519.598	2.907	30	40	KFEB	
C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@@]2(O)C(=O)COC(=O)CCC(=O)NCc1ccco1	118920342	KUOIOLIROJEQAC-GJKQOJKDSA-N	539.625	2.798	30	40	KFEB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC#N)c(OC)c3)c(=O)n2[C@H]1c1cccc(OC)c1	408927883	SZHKLIWRXKHZCJ-YMSBRDKKSA-N	519.579	2.718	30	40	KFEB	
CC(C)(C)OC(=O)N[C@H](Cc1cc(I)c(O)c(I)c1)C(=O)ON1C(=O)CCC1=O	150356718	OOTFAHIVGAQXOL-GFCCVEGCSA-N	630.173	2.644	30	40	KFEB	
C/C(=N\Nc1nc(N2CCOCC2)nc(N2CCOCC2)n1)c1ccc(NC(=O)c2ccccc2)cc1	408724758	ALXDOZAIHRYRJN-ZCTHSVRISA-N	502.579	2.633	30	40	KFEB	
C=CCN1C(=O)/C(=C/c2cc(I)c(OC)c(I)c2)C(=O)NC1=S	408902832	LTJCWDNAPCVNAA-WEVVVXLNSA-N	554.147	2.717	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1ccc(Br)o1	408955597	QREDMLXKDXDOAU-ZCTVUFTBSA-N	537.367	2.563	30	40	KFEB	
CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(OCC(N)=O)c([N+](=O)[O-])c1	409322212	LBZUPPJYFPEQSQ-UHFFFAOYSA-N	518.324	2.775	30	40	KFEB	
CCOC(=O)[C@H](C)Oc1c(Br)cc(C=Nn2c(O)nc3ccccc3c2=O)cc1[N+](=O)[O-]	409349398	QRESBFCQKSFFTJ-NSHDSACASA-N	505.281	2.985	30	40	KFEB	
COCCCN1C(=O)C(O)=C(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@@H]1c1cccc(Cl)c1	38140088	JYUYUGRPCTZXOB-QFIPXVFZSA-N	535.018	2.976	30	40	KFEB	
C#CCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)sc2cc(OC)c(OC)cc21	60266472	FHYDNGRBLLVAHO-AUDDJOTCSA-N	529.640	2.892	30	40	KFEB	
C#CCOc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc1OC	408807809	LDCYCDSOBDXZFW-XNTDXEJSSA-N	502.264	2.978	30	40	KFEB	
COc1cc(/C=N/Nc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2Cl)cc(OC)c1OC	9424167	SWXZNWRHUZPDDD-RPPGKUMJSA-N	512.954	2.607	30	40	KFEB	
C=CCn1c(=O)c2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2n(CC(=O)Nc2ccc(F)cc2)c1=O	101234003	ADKIPHPUPMQUKI-UHFFFAOYSA-N	530.512	2.786	30	40	KFEB	
Cc1cc(C)n2c1C=C1C=CC(CCC(=O)NCCCCCC(=O)ON3C(=O)CCC3=O)=[N+]1[B-]2(F)F	196074806	AWACOFBGFAKYPF-UHFFFAOYSA-N	502.327	2.769	30	40	KFEB	in-vitro
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1cc(OC)c(OCC(=O)OC)cc1Br	408948978	LFAFSQRIZGSNIQ-AVDGESPESA-N	665.494	2.530	30	40	KFEB	
COc1cc([C@H]2C(C(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)=C(O)C(=O)N2C[C@@H]2CCCO2)ccc1O	1099083	CDYVWDBHKCWKSF-CYFREDJKSA-N	542.610	2.943	30	40	KFEB	
CC(=O)c1ccc(N2CCN(C(=O)c3ccc(Cl)c(/N=C4\N[C@H]5CS(=O)(=O)C[C@@H]5S4)c3)CC2)cc1	33357771	NZJDUQVWMXODFI-VXKWHMMOSA-N	533.075	2.995	30	40	KFEB	
CS(=O)(=O)OCCN(CCOS(C)(=O)=O)c1ccc(/C=N\c2cccc(Br)c2)cc1	104145013	DQOXBVRRMHMWAM-QNGOZBTKSA-N	519.439	2.959	30	40	KFEB	
C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NCc1cccnc1	118920336	RPCYENFQQJKDTO-UWTRAULOSA-N	550.652	2.600	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C\c1cc([N+](=O)[O-])cc(Br)c1O	408949600	LQLXWNDAVACXHF-LVWFJTBXSA-N	608.402	2.583	30	40	KFEB	
COC(=O)COc1c(OC)cc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c(Br)c1Br	409407733	NYHKUKIKMFEJBG-FCIDVOKBSA-N	542.180	2.913	30	40	KFEB	
C=CCN1C(=O)[C@]2(C(C(=O)c3ccc(OCC)cc3)=C(O)C(=O)N2CCN2CCOCC2)c2ccccc21	24147504	URNGNGJHGVHJDY-GDLZYMKVSA-N	517.582	2.683	30	40	KFEB	
N/C(=N/C(=O)/C(=C/c1cccc(Br)c1)NC(=O)c1ccccc1)Nc1ccc(S(N)(=O)=O)cc1	97983621	GNNVAHNUJQXATC-ZHZULCJRSA-N	542.415	2.821	30	40	KFEB	
CC(=O)O[C@@H]1C[C@H](O[C@@H]2CC[C@]3(C=O)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@@]5(O)[C@@H]4CC[C@]3(O)C2)O[C@@H](C)[C@H]1OC(C)=O	118921716	PHSBHTPVOGIRQM-ILEJQZKESA-N	618.720	2.921	30	40	KFEB	
O=[N+]([O-])c1cc(/C=N/Nc2nc(=NCc3ccccc3)nc(N3CCOCC3)[nH]2)ccc1Br	408718501	RUHTUPXHPIJSQD-ZVHZXABRSA-N	513.356	2.859	30	40	KFEB	
C[C@@H](NC(=O)c1ccccc1NC(=O)COC(=O)CNS(=O)(=O)c1ccccc1C#N)c1ccccc1	16044361	KTTRVAKBVMKEAN-GOSISDBHSA-N	520.567	2.509	30	40	KFEB	
CS(=O)(=O)OCCN(CCOS(C)(=O)=O)c1ccc(/C=N/c2ccc(C(=O)O)cc2)c(Cl)c1	1655571	QEIRUMGTVQLDTM-HYARGMPZSA-N	518.997	2.548	30	40	KFEB	
C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)ccc3OC)c(=O)n2[C@H]1c1ccc(OC)cc1	2708996	MRUCFGVQHOBARO-FCKOQQNDSA-N	506.580	2.990	30	40	KFEB	
CCc1c(C)c(C#N)c(=S)n([C@H]2O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]2OC(C)=O)c1C	5956164	GINFPTWSKPUPFL-BUPNWXMQSA-N	522.576	2.524	30	40	KFEB	
CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)N(OC(C)=O)c4ccccc43)c(=O)n2[C@H]1/C=C/c1ccccc1	6545000	YYESEHPWKDQTGT-QNMKSDMMSA-N	529.574	2.658	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C\c1cc(Br)c(OCC#N)c([N+](=O)[O-])c1	408958118	VHKLPHHPMXVSHX-WPZFTOAKSA-N	647.439	2.780	30	40	KFEB	
COCCN1C(=O)C(O)=C(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@@H]1c1cccc(Br)c1	6079888	GKUVDBMGIGVFLH-IBGZPJMESA-N	523.405	2.924	30	40	KFEB	
COc1cccc([C@H]2/C(=C(\O)c3sc(C)nc3C)C(=O)C(=O)N2CCCN2CCOCC2)c1OC	102880395	JNNSNMFNWPOWAY-NHFXJNLRSA-N	501.605	2.921	30	40	KFEB	
C=C(CCCCCCCCC)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@@H](O)[C@@H]1OP(=O)(O)O	263606642	RCLFDFMKMOJNRC-BKGZVJNQSA-N	961.859	2.752	30	40	KFEB	
C=CCN1C(=O)/C(=c2/sc3n(c2=O)[C@@H](c2cc(OC)c(OC)c(OC)c2)C(C(=O)OCC)=C(C)N=3)c2ccccc21	108074552	SBKRQITXJMRSAV-JRFDGAOCSA-N	575.643	2.727	30	40	KFEB	
CCN(CC)S(=O)(=O)c1ccc(/C(O)=C2\C(=O)C(=O)N(CCCOC)[C@@H]2c2ccc(O)cc2)cc1	102557479	GHXVADICSBHRLC-HOGKFDNTSA-N	502.589	2.881	30	40	KFEB	
COC(=O)Cn1c(=O)c(C(=O)COC(=O)c2ccccc2Sc2ccccc2C#N)c(N)n(Cc2ccccc2)c1=O	103098760	RRRIBWUWRJBOSU-UHFFFAOYSA-N	584.610	2.876	30	40	KFEB	
C=CCc1cc(/C=N/N[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc(OC)c1O	408957617	TZULHENDROUXGE-ANHJNJTBSA-N	554.600	2.650	30	40	KFEB	
COC1=C[C@]2(CC(C)(C)N3C(=O)[C@]4(C(C(=O)c5ccc(OC)cc5)=C(O)C(=O)N4c4ccccc4O)C(C(N)=O)=C32)C(C)=CC1=O	604405168	LLBKVPMXUOVHFX-HEVIKAOCSA-N	625.634	2.991	30	40	KFEB	biogenic
C[C@H]1O[C@H](CC(=O)O)Cc2c(O)c3c(c(O)c21)C(=O)C=C(C1=CC(=O)c2c(O)c4c(c(O)c2C1=O)C[C@H](CC(=O)O)O[C@@H]4C)C3=O	8585929	FBNNGLOOTUKVRQ-KKOKHZNYSA-N	634.546	2.774	30	40	KFEB	in-vitro
Cc1c(/N=C/c2ccc(N(CCN3CCOCC3)CCN3CCOCC3)cc2)c(=O)n(-c2ccccc2)n1C	16249092	IYMAJBMGKPABIV-QFMPWRQOSA-N	532.689	2.706	30	40	KFEB	
O=C(Cc1ccc(/N=C2/N[C@@H]3CS(=O)(=O)C[C@@H]3S2)cc1)NCCOc1cccc(C(F)(F)F)c1	20618106	PWKULTYCPIYFAM-MOPGFXCFSA-N	513.563	2.933	30	40	KFEB	
C=CCN1C(=O)/C(=c2/sc3n(c2=O)[C@@H](c2ccc(F)cc2)C(C(=O)OCC)=C(C)N=3)c2ccccc21	628973	FGYRLBJUZJNBEN-MOBKVPTQSA-N	503.555	2.840	30	40	KFEB	
CCOC(=O)COc1c(I)cc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1I	409407376	TYGMLKBFWWSNAH-MWDDYTRKSA-N	620.181	2.979	30	40	KFEB	
COC(=O)[C@H](Cc1ccc(O)c([N+](=O)[O-])c1)NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C	79216685	JYOBYKXWDWDTOD-QFSAKRBOSA-N	684.739	2.627	30	40	KFEB	biogenic
C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N[C@H](Cc1c[nH]c2ccc(O)cc12)C(=O)O	150344923	OIFUSWZLCJYPAZ-JJKUDIAISA-N	662.736	2.888	30	40	KFEB	
CC(=O)OC[C@H]1O[C@@H](O[C@H]2[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](Oc3ccc(/C=C\C(=O)c4ccccc4)cc3)O[C@@H]2COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	575627524	LDQQGGABWYHFKK-QMJVHJOLSA-N	842.800	2.581	30	40	KFEB	
COC(=O)c1ccc([C@H]2/C(=C(\O)c3cnn(-c4ccccc4)c3C)C(=O)C(=O)N2CCN2CCOCC2)cc1	102501146	PPJPHPIUJWVWLK-IUKMQXEJSA-N	530.581	2.721	30	40	KFEB	
COC(=O)c1[nH]c(C)c(/C(O)=C2\C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(OC)cc2)c1C	102517791	JMUAMRXDRRZERS-COUQNMRISA-N	511.575	2.571	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1ccc(OC)cc1C	408940830	CKPLBFZBQXEINJ-YNMPAXSUSA-N	512.563	2.524	30	40	KFEB	
COc1cc(/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])ccc1Oc1nc(N2CCOCC2)nc(N2CCOCC2)n1	408977312	WVQQACIGUHVCGP-WGOQTCKBSA-N	581.546	2.608	30	40	KFEB	
CO[C@H]1[C@@H](OC)[C@H](OC(C)=O)[C@H](C)O[C@H]1O[C@@H]1CC[C@]2(C=O)[C@H]3CC[C@]4(C)[C@@H](C5=CC(=O)OC5)CC[C@@]4(O)[C@@H]3CC[C@]2(O)C1	118935379	CPMCFEFLJDDPET-RFZWRHMVSA-N	620.736	2.629	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C\c1cc2c(cc1Br)OCO2	408957232	SMDKTADVMDLHNV-VJBBNLEKSA-N	591.415	2.698	30	40	KFEB	
Cc1ccc(S(=O)(=O)N/N=C(\CC(=O)c2c(C)[n+]([O-])c3ccccc3[n+]2[O-])C(=O)Nc2ccccc2C)cc1	8653094	JVDDEAXRLACPPK-QUPMIFSKSA-N	547.593	2.578	30	40	KFEB	
O=S(=O)(c1ccc(Cl)c(/C(O)=N/C[C@H](c2cccs2)N2CCOCC2)c1)N1CCOCC1	32999983	AHPUXAPFAHVTOQ-LJQANCHMSA-N	500.042	2.801	30	40	KFEB	
COC(=O)c1cc2cc3c(c(O)c2c(=O)o1)O[C@]1(CC3)CC2=C(O1)C(=O)c1c(O)c(OC)cc(OC)c1C2=O	85841188	FXCBZGHGMRSWJD-MHZLTWQESA-N	536.445	2.783	30	40	KFEB	
CO[C@H]1C[C@H](O[C@@H]2CC[C@]3(/C=N/CCCO)[C@H]4CC[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)O[C@H](C)[C@H]1O	257199218	WTQHODYWVQKVNY-GPAHJRFGSA-N	605.769	2.688	30	40	KFEB	
CCOCCCNC(=O)/C(C#N)=c1\s/c(=C\c2ccc(C(=O)OC)cc2)c(=O)n1-c1ccccc1C(F)(F)F	97981885	WIUMLMZHGHGIFS-MZGRUVDNSA-N	559.566	2.750	30	40	KFEB	
COc1ccc2[nH]c3c(=O)n(/N=C/c4ccc(OC)c(CN5C[C@@H]6C[C@@H](C5)c5cccc(=O)n5C6)c4)c(=O)[nH]c3c2c1	100746466	LFUNYVOCOLLFAW-UIGVLSOLSA-N	566.618	2.852	30	40	KFEB	biogenic
CCOC(=O)C1=C(NC(=O)CC)S/C(=C\c2cc(I)c(O)c(OC)c2)C1=O	409081361	KMMJGURSKQXJNM-WQLSENKSSA-N	503.314	2.963	30	40	KFEB	
O=C1CCCC(NCCNC2=C(I)C(=O)CCC2)=C1I	100941913	PXXLNUASGHNXPL-UHFFFAOYSA-N	500.118	2.965	30	40	KFEB	
COC(=O)c1cc(C(=O)OC)c(C/C(=N\c2c(C)cccc2C)NNC(N)=S)nc1C/C(=N/NC(N)=S)C(=O)Nc1c(C)cccc1C	150441219	ZMTMAUUNSNEEDT-CKJBABAKSA-N	691.840	2.869	30	40	KFEB	
COC(=O)[C@H]1[C@@H](OC(C)=O)[C@@H](C)[C@@H](O)[C@@](C)(O)C=C(C)C2=C3C(=C(C)C(=O)c4c(O)c(c(C)c(OC(C)=O)c43)NC(=O)C(C)=CC=C[C@@](C)(O)[C@@H](O)[C@@H](C)[C@H]1O)OCO2	263594986	DAQTVVQVNADAHI-KWJMDYMSSA-N	827.877	2.790	30	40	KFEB	
C#CCOc1c(Br)cc(/C=C2\C(=O)NC(=S)N(CC=C)C2=O)cc1I	408903779	YXUBRQMJRHPBQB-YRNVUSSQSA-N	531.169	2.878	30	40	KFEB	
C=CCc1cc(/C=N/N[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)ccc1O	408943453	FTHWVNPXRGIPSK-DDFSSGQVSA-N	524.574	2.641	30	40	KFEB	
O=C1C(=O)N(CCCN2CCOCC2)[C@@H](c2cccc([N+](=O)[O-])c2)/C1=C(\O)c1ccc2c(c1)OCCO2	8744113	DPDGPEHYIAUAIG-AYWGPLOBSA-N	509.515	2.510	30	40	KFEB	
COc1cc([C@@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CCN2CCOCC2)cc(OC)c1OC	8835356	DEONVZXSCBHKMC-HXUWFJFHSA-N	517.604	2.696	30	40	KFEB	
C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2cccc(OC)c2)C(C(=O)OCC)=C(C)N=3)cc1OC	408923691	HJGKTABUTAYCNK-LWUPDDLQSA-N	518.591	2.828	30	40	KFEB	
C=CCc1cc(/C=N/N[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)ccc1O	408943467	FTHWVNPXRGIPSK-ZIAGWNQCSA-N	524.574	2.641	30	40	KFEB	
C=CCOc1cccc(/C=N\N[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)c1	408959311	ZDRHTBKGAOHHPF-YGCYWOBVSA-N	524.574	2.772	30	40	KFEB	
CCC(=O)O[C@]1(C(=O)COS(C)(=O)=O)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]3(F)[C@H](O)C[C@@]21C	1570003481	LJIXIWVFIFXMTE-QTANRZMXSA-N	526.623	2.841	30	40	KFEB	
O=C1C(=O)N(CCCN2CCOCC2)[C@H](c2cccc([N+](=O)[O-])c2)/C1=C(\O)c1ccc2c(c1)OCCO2	102702793	DPDGPEHYIAUAIG-ZHHPLPSFSA-N	509.515	2.510	30	40	KFEB	
C#C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@@H](CCC(N)=O)C(=O)O)CC[C@]4(C)[C@H]3CC[C@@]21C	118917682	RKAXLDHTTPHZOB-VJXQPHMZSA-N	513.635	2.521	30	40	KFEB	
CC(=O)N[C@H]1[C@H](Oc2ccc(C(=O)/C=C/c3ccccc3)cc2)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	70673437	JSSYUFYKKJGNOD-LOGGWFROSA-N	553.564	2.618	30	40	KFEB	biogenic
CCN(CC)c1ccc(N2/C(=N\C(=O)CNC(=O)OC(C)(C)C)S[C@H]3CS(=O)(=O)C[C@@H]32)c(C)c1	101319380	KYISBRJYIOPAAS-YNNLNTILSA-N	510.682	2.967	30	40	KFEB	
COc1cc(/C=N/Nc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])ccc1OC(=O)c1ccco1	102983734	IGQPAXFEVGRBKF-BUVRLJJBSA-N	530.515	2.883	30	40	KFEB	
N=c1nc(Sc2ccc(/C=N/Nc3ccc([N+](=O)[O-])cc3S(=O)(=O)N3CCC(C(N)=O)CC3)cc2[N+](=O)[O-])ss1	150375988	BDYUPFWIRCAMPD-KDTWENEWSA-N	624.708	2.984	30	40	KFEB	
C#C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@@H](CC(=O)O)C(=O)O)CC[C@]4(C)[C@H]3CC[C@@]21C	118918839	ZNPMAJFFZNNVII-YGFXRNGOSA-N	500.592	2.730	30	40	KFEB	
CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=NOCC(=O)N5C[C@@H](O)C[C@H]5C(=O)O)CC[C@]4(C)[C@H]3CC[C@@]21C	253534060	XQSIZZYMZMLQIG-GTIRZWJDSA-N	516.635	2.688	30	40	KFEB	biogenic
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C\c1cc(Br)c(OC)c(OC)c1	408941209	CNCQCFLLODNOFO-HNCLAJARSA-N	607.458	2.987	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1ccc(C2CCN(C)CC2)c([N+](=O)[O-])c1	408952904	OGWPMJJDFUPNSA-LEHBDLCNSA-N	610.668	2.925	30	40	KFEB	
COC1=C[C@@]2(CC(C)(C)N3C(=O)[C@]4(C(C(=O)c5ccc(OC)cc5)=C(O)C(=O)N4c4ccccc4O)C(C(N)=O)=C32)C(C)=CC1=O	604405170	LLBKVPMXUOVHFX-NOCHOARKSA-N	625.634	2.991	30	40	KFEB	biogenic
C=C1[C@@H](O)[C@@H]2C=CC[C@H](C)C(=O)[C@](C)(O)C=C[C@@H](OC(C)=O)[C@@]23C(=O)N[C@@H](Cc2ccccc2)[C@@H]3[C@@H]1C	1775984587	SDZRWUKZFQQKKV-LHKAADAYSA-N	507.627	2.917	30	40	KFEB	biogenic,in-vitro
C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1	1826578	PYVWJKCECASCHT-PNZYDNNZSA-N	536.606	2.999	30	40	KFEB	
C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC(C)=O)c3)c(=O)n2[C@H]1c1ccc(OC(C)=O)cc1	2248661	PDTWBDGUNAYKJL-GJFKPFFXSA-N	532.574	2.815	30	40	KFEB	
COc1ccc(/C=c2/s/c(=C(\C#N)C(=O)NCCc3ccccc3)n(-c3ccccc3)c2=O)cc1OC	2423440	ZSITVOXVWCHPAH-XGGIFQRTSA-N	511.603	2.778	30	40	KFEB	
CCN1C(=O)[C@@]2(C(C(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)=C(O)C(=O)N2CCCN(C)C)c2ccccc21	98046880	KRMGQKHVRTUEEB-PMERELPUSA-N	580.707	2.912	30	40	KFEB	
COc1ccc(/C(O)=C2\C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1OC	102924999	NAPIEJFUUHAMCB-AYWGPLOBSA-N	511.531	2.756	30	40	KFEB	
COC(=O)[C@@H]1C[C@H](O)CN1C(=O)CCC(=O)OCC(=O)[C@@]1(OC(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C	70697112	WSRHHQCMLAXXNM-YMMWELEISA-N	615.720	2.848	30	40	KFEB	biogenic
CCCCCCC[C@H](CC(=O)O)OC(=O)C[C@@H](CCCCCCC)O[C@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]1O[C@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]1O	73417904	FCBUKWWQSZQDDI-GFDHFZDDSA-N	650.803	2.549	30	40	KFEB	
COC(=O)[C@H]1[C@@H](OC(C)=O)[C@H](C)[C@@H](O)[C@@](C)(O)C=C(C)C2=C3C(=C(C)C(=O)c4c(O)c(c(C)c(OC(C)=O)c43)NC(=O)C(C)=CC=C[C@@](C)(O)[C@@H](O)[C@@H](C)[C@H]1O)OCO2	263594985	DAQTVVQVNADAHI-IETYRCTKSA-N	827.877	2.790	30	40	KFEB	
C#C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@@H](C(=O)N[C@@H](CCC(N)=O)C(=O)O)C(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C	118918962	KNRYIIYGPWGEQP-RRYKECRISA-N	612.768	2.662	30	40	KFEB	
COC(=O)COc1c(I)cc(C=Nn2c(O)nc3ccccc3c2=O)cc1I	409352407	VRBLNFLKNNBGMY-UHFFFAOYSA-N	605.126	2.745	30	40	KFEB	
CCC(=O)O[C@H]1CC(=O)O[C@@H](C)C/C=C/C=C/[C@@H](O)[C@@H](C)C[C@@H](CC=O)[C@@H](O[C@H]2O[C@H](C)[C@H](O[C@H]3C[C@](C)(O)[C@H](OC(=O)CC)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H]1OC	584577483	DMUAPQTXSSNEDD-MUEZLLCCSA-N	813.979	2.767	30	40	KFEB	
CCN(CC)C(=O)[C@H]1CCCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2N/N=C2\C(=O)N(C)c3ccccc32)C1	100187272	XPKMHHFCURNGJI-TVLIFYJGSA-N	542.618	2.657	30	40	KFEB	
C=CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)S/C1=N\c1ccc(S(=O)(=O)N2CCOCC2)cc1	102961203	LKVIZBBHSFXXAZ-MONKAWABSA-N	514.629	2.854	30	40	KFEB	
COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C	70698729	CRPMXODYUHOEFR-DXFGNNMSSA-N	637.726	2.927	30	40	KFEB	biogenic
COC(=O)Cn1/c(=N/C(=O)c2ccc(S(=O)(=O)N(CCC#N)CCC#N)cc2)sc2cc(F)ccc21	100876438	SEWQRYLBEUYWAR-VYIQYICTSA-N	529.575	2.574	30	40	KFEB	
CCOC(=O)C1=C(NC(=O)CC)S/C(=C\c2cc(OC)c(OCC(=O)OC)cc2Br)C1=O	409079815	MGGCPFLZHHCHFQ-NVNXTCNLSA-N	528.377	2.967	30	40	KFEB	
COc1cc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c(Br)c(Br)c1OCC(=O)N1CCOCC1	409408069	OWEAUXKUUZIHDG-DSIZOQBWSA-N	597.260	2.599	30	40	KFEB	
C#C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@H](C(=O)N[C@H](CCC(N)=O)C(=O)O)C(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C	118918963	KNRYIIYGPWGEQP-XUMVDOEDSA-N	612.768	2.662	30	40	KFEB	
O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1cc(I)c(O)c(I)c1)[C@H]1C=C[C@H]2C1	408724150	GMUGQGOEJVVFTK-FKFCDRLRSA-N	534.091	2.742	30	40	KFEB	
CCOc1ccc([C@H]2/C(=C(\O)c3c(C)[nH]c(C(=O)OC)c3C)C(=O)C(=O)N2CCN2CCOCC2)cc1	9177457	IQIZFNZEUCEMHR-BUANBSPESA-N	511.575	2.571	30	40	KFEB	
CC(=O)O[C@H]1[C@H](CO[C@@H]2O[C@H](C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]2OC(C)=O)O[C@@H](O[C@@H]2CC[C@]3(C=O)[C@@H]4CC[C@]5(C)[C@H](c6ccoc(=O)c6)CC[C@]5(O)[C@H]4CC[C@@]3(O)C2)[C@H](OC(C)=O)[C@H]1OC(C)=O	257347139	VEYKKASUDGUTGW-REUDODOASA-N	977.019	2.637	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C\c1cc(I)cc(OC)c1OCC#N	408956587	RNLZGNLRSGDLQN-RXKYXHDOSA-N	679.468	2.723	30	40	KFEB	
CCOc1ccc(S(=O)(=O)NCCC(=O)OCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)cc1	3355767	QTASAEZGQNGZHE-OAHLLOKOSA-N	505.618	2.994	30	40	KFEB	
COc1ccc(Cl)cc1N1/C(=N\C(=O)CCNC(=O)OC(C)(C)C)S[C@@H]2CS(=O)(=O)C[C@H]21	32634531	IDVBPYJSFCEMOB-IHDZKCEDSA-N	504.030	2.865	30	40	KFEB	
Cc1cccc(C(=O)Oc2ccc(/C=N\Nc3nc(N4CCOCC4)nc(N4CCOCC4)n3)cc2)c1	33908953	UJUTZBMMDXQTEC-IMRQLAEWSA-N	503.563	2.518	30	40	KFEB	
CCCCCCC[C@@H](Oc1cc(O)c2c(=O)c(-c3ccc(O[C@H]4O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]4O)cc3)coc2c1)C(=O)OC	104823946	MPYCQJDTFYUOKP-KFQQZXCDSA-N	602.633	2.625	30	40	KFEB	
CC1=C(CO)C(=O)O[C@@H]([C@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@@]56[C@@H](O)C(N5CC5)=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1	118930053	NIXMTMDOMRNYIH-FDVCNWCRSA-N	511.659	2.996	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1cc(Cl)c(OCC(=O)OC)c(OCC)c1	408944491	GQBGCUQOBNUMDO-ANXAOISFSA-N	635.070	2.811	30	40	KFEB	
C#CCOc1c(Br)cc(/C=C2\C(=O)N(c3ccc(S(N)(=O)=O)cc3)N=C2C)cc1OC	96193393	IKWLQQGORDJTSK-YVLHZVERSA-N	504.362	2.923	30	40	KFEB	
C#CCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N(CC)Cc3ccccc3)cc2)sc2cc(S(N)(=O)=O)ccc21	100875773	RGSCNIHPPHTMHJ-SGEDCAFJSA-N	568.702	2.935	30	40	KFEB	
O=C(C[C@H]1S/C(=N/c2ccc(S(=O)(=O)N3CCOCC3)cc2)N(C[C@H]2CCCO2)C1=O)Nc1ccccc1	195557998	XAZJTXALIDBVNA-GGWXZXGTSA-N	558.682	2.847	30	40	KFEB	
C=CCN1C(=O)N/C(=C/c2cc(I)c(OCC(=O)OCC)c(I)c2)C1=O	409131512	JGDAORUJGUYEQX-MDWZMJQESA-N	582.132	2.916	30	40	KFEB	
COc1ccc(N2/C(=N\C(=O)CCNC(=O)OC(C)(C)C)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1Cl	32639359	OUYRYZWYMKAHHZ-CPRAZTLCSA-N	504.030	2.865	30	40	KFEB	
CC(=O)OC[C@@]12[C@@H](OC(C)=O)C[C@@H](C)[C@]3(C[C@H](c4ccoc4)OC3=O)[C@H]1CC[C@H](OC(C)=O)[C@]21CO1	101577403	RCVVNRBNRKRZGL-BMQMGEQGSA-N	504.532	2.886	30	40	KFEB	biogenic,in-vitro
COCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(C)c2N2CCN(c3ccc(OC)cc3)CC2)SC1=S	97946803	AMKUFNCQZMCCRM-JCMHNJIXSA-N	539.683	2.748	30	40	KFEB	
COC(=O)c1[nH]c(C)c(/C(O)=C2\C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccc(OC)c2OC)c1C	102490883	HKQLUNSASHGGBW-BUANBSPESA-N	541.601	2.579	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1cc(Br)c(OCC(=O)OC)c(OCC)c1	408959113	YHTBPUDLXSAFGV-HKTILGSXSA-N	679.521	2.920	30	40	KFEB	
CC(=O)Oc1c(I)cc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1I	409408566	YMLXHEJIRQEMTQ-LWWSYDQCSA-N	576.128	2.962	30	40	KFEB	
COc1cc(OC)c2c(c1Cl)O[C@@]1(C(=O)C=C(Nc3ccc(C(=O)NCCO)cc3)C[C@H]1C)C2=O	604404375	FVONWTQMKYAPTH-SHZVTRLKSA-N	500.935	2.998	30	40	KFEB	biogenic
CN(C)c1ccc([C@H]2/C(=C(\O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCCN2CCOCC2)cc1	102888607	WHOOIWMKOFRHGI-IUKMQXEJSA-N	507.587	2.668	30	40	KFEB	
NOS(=O)(=O)CCCN1/C(=C/C(N)=C/c2sc3ccccc3[n+]2CCCS(=O)(=O)O)Sc2ccccc21	2061911	GIBGJVNSRIUDAG-KQWNVCNZSA-O	583.759	2.830	30	40	KFEB	
O=C1C(NS(=O)(=O)c2ccccc2)=C(N2CCN(Cc3ccc4c(c3)OCO4)CC2)C(=O)c2ccccc21	97951044	CNVRTLBQQZAMNF-UHFFFAOYSA-N	531.590	2.802	30	40	KFEB	
CCOc1cc(/C=N/N[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)ccc1OCC#N	408946218	IGTJLZVNWMIXNP-JDHIBWLUSA-N	567.599	2.508	30	40	KFEB	
COc1cc([C@@H]2C3=C(C[C@@H](C)[C@]4(Oc5c(Cl)c(OC)cc(OC)c5C4=O)C3=O)Nc3c2c(=O)n(C)c(=O)n3C)cc(OC)c1O	524731044	IICCYUKUTLVGQC-SEOBPYHUSA-N	640.045	2.912	30	40	KFEB	biogenic
CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@@H](C(=O)O)[C@H](C)O)CC[C@]4(C)[C@H]3CC[C@@]21C	8788937	AIIRGQACJUSJNF-ACEVXTNKSA-N	504.624	2.592	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C\c1ccc(OC(C)=O)c(Br)c1	408957063	SAWCCZWBUXEBRR-ZNEGETPVSA-N	605.442	2.895	30	40	KFEB	
COc1cc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc(I)c1OCC(=O)OC(C)C	409408781	ZIKWKBJJZHEGDS-KODHJQJWSA-N	538.338	2.771	30	40	KFEB	
COc1cc(C(=O)Oc2c(C=NN3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cccc2[N+](=O)[O-])ccc1OC(C)=O	409409882	RQNIADOVFNHWKI-YKTUVVHCSA-N	519.466	2.889	30	40	KFEB	
COc1ccc2[nH]c3c(=O)n(/N=C/c4ccc(OC)c(CN5C[C@@H]6C[C@H](C5)c5cccc(=O)n5C6)c4)c(=O)[nH]c3c2c1	106474149	LFUNYVOCOLLFAW-VUHANIRRSA-N	566.618	2.852	30	40	KFEB	
O=C(C1=C(O)C(=O)N(CCCN2CCOCC2)[C@H]1c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2	13711632	NNXSTXXJWINBID-QHCPKHFHSA-N	509.515	2.667	30	40	KFEB	
C=C1C(=O)[C@@]23[C@@H]4C[C@@H]5C(C)(C)CC[C@@H](OC(C)=O)[C@@]5([C@@H]4OC(C)=O)[C@H]2[C@@H](OC(C)=O)C[C@@H]1[C@H]3OC(C)=O	100643888	SMWBUUIWYWVARM-HZNFBHHOSA-N	516.587	2.931	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1cc(OC)c(O)cc1Br	408954383	PLMLXUBEBBMORF-UYDRVICXSA-N	593.431	2.684	30	40	KFEB	
CCOC(=O)COc1c(Cl)cc(/C=N/N[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OC	408958295	VLUNQVFALXWPKA-CPVPUQAFSA-N	635.070	2.811	30	40	KFEB	
COC(=O)c1[nH]c(C)c(/C(O)=C2\C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cc(OC)c(OC)c(OC)c2)c1C	102534149	JVTFBHMVPZODEE-UVDRRRQGSA-N	571.627	2.588	30	40	KFEB	
CC(C)OC(=O)COc1c(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc(Br)cc1[N+](=O)[O-]	409408505	QYMPRVRYMIXWSB-GNTOHDJUSA-N	506.309	2.829	30	40	KFEB	
O=C(c1ccc(Cl)c(/N=C2\N[C@@H]3CS(=O)(=O)C[C@H]3S2)c1)N1CCN(c2ccc(F)cc2)CC1	2959302	ZARBLTIZGFBGTG-WOJBJXKFSA-N	509.028	2.931	30	40	KFEB	
Cc1ccc(C(=O)n2cc(/C=N/Nc3nc(N4CCOCC4)nc(N4CCOCC4)n3)c3ccccc32)cc1	9296740	DCFKXALHTJRKPL-RDRPBHBLSA-N	526.601	2.942	30	40	KFEB	
COc1ccc(N2/C(=N\C(=O)CCNC(=O)OC(C)(C)C)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1Cl	32639358	OUYRYZWYMKAHHZ-IHDZKCEDSA-N	504.030	2.865	30	40	KFEB	
CCOc1cc(/C=N\Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)ccc1OCc1ccccc1	33395908	OHLAAEWVNBNTRG-USHMODERSA-N	519.606	2.969	30	40	KFEB	
COc1ccc(OC)c(N2/C(=N\C(=O)Cc3ccc(OC)c(OC)c3)S[C@@H]3CS(=O)(=O)C[C@H]32)c1	101304689	MFEVAZAYWCRNSA-AYSAVRDBSA-N	506.602	2.565	30	40	KFEB	
C#CCOc1c(Cl)cc(/C=N/N[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OC	408957503	TWBKJOOYTGBBDU-NUQBMMRGSA-N	587.029	2.881	30	40	KFEB	
COc1cc(OC)c2c(c1Cl)O[C@@]1(C(=O)C=C(NCc3ccc(S(N)(=O)=O)cc3)C[C@H]1C)C2=O	604404830	GZSVJCSUHOEAFJ-SPSFWMDKSA-N	506.964	2.601	30	40	KFEB	biogenic
COC(=O)/C=C/[C@]12COC(C)(C)[C@H]1[C@@H](O)[C@H](OC(C)=O)[C@]1(C)[C@@H]2CC[C@@]2(C)[C@@H](c3ccoc3)OC(=O)[C@@H]3O[C@@]321	72320471	XWOZTQQJYJMHSX-GHDBIGJYSA-N	544.597	2.885	30	40	KFEB	biogenic,in-vitro
COCCN1C(=O)C(=O)/C(=C(/O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)[C@@H]1c1ccc(OC)cc1	102870050	GAVYMOIDGOGGCC-AYWGPLOBSA-N	514.600	2.938	30	40	KFEB	
COC(=O)c1ccc([C@H]2/C(=C(\O)c3c(C)nc4ccccn34)C(=O)C(=O)N2CCCN2CCOCC2)cc1	102876046	GNFNRUNLILKCRG-UVDRRRQGSA-N	518.570	2.573	30	40	KFEB	
CCOC(=O)[C@@H]1/C(=N/NS(=O)(=O)c2ccc(C)cc2)C[C@](C)(O)[C@H](C(=O)OCC)[C@H]1c1ccc(OC)c(O)c1	230093205	HQHWFPSAJVRMRN-YPSSLHQRSA-N	562.641	2.641	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1ccc(Br)cc1	408943431	FQSMJPPLZGRZOU-XIABNSLWSA-N	547.406	2.970	30	40	KFEB	
CCOc1ccc(/C=N/N[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1	408945321	HJDCMYDOPSSTKC-UJHCQMTCSA-N	512.563	2.606	30	40	KFEB	
COc1cc([C@@H]2CC(=O)NC3=C2C(=O)[C@@]2(Oc4c(Cl)c(OC)cc(OC)c4C2=O)[C@H](C)C3)ccc1OCC(N)=O	524731568	CDBQAJWSBDFBFY-UKDVYOIMSA-N	570.982	2.711	30	40	KFEB	biogenic
C=CCN1C(=O)[C@]2(C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCN(C)C)c2ccccc21	20461443	OWLJUPJHJXTQFN-MUUNZHRXSA-N	503.555	2.675	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1ccc(I)cc1	408947447	JITGSTULACMTDS-JXTZEJCMSA-N	594.406	2.812	30	40	KFEB	
CCOC(=O)[C@H]1[C@@H](c2ccccc2)[C@@H](C(=O)OCC)/C(=N/NS(=O)(=O)c2ccc(C)cc2)C[C@]1(C)O	36556726	XCHGLPYETUMHLR-SUCXOSBKSA-N	516.616	2.926	30	40	KFEB	
CO[C@@]1(C)O[C@H](COS(=O)(=O)c2ccc(C)cc2)[C@@H](COS(=O)(=O)c2ccc(C)cc2)O[C@@]1(C)OC	97952929	CIZLVXBAALAMNQ-YCAMKHIRSA-N	544.644	2.923	30	40	KFEB	
CCOC(=O)c1c(NC(C)=O)sc(/C(C)=N/Nc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])c1C	102983682	FFJUUJVTJUTJSM-ZVHZXABRSA-N	553.619	2.957	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1ccc(OCC(=O)OC)c(Br)c1	408958909	XHONYGBCXSAEOZ-SOCKCTBZSA-N	635.468	2.521	30	40	KFEB	
CCOC(=O)COc1c(I)cc(/C=N/N[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OC	408958925	XJNSOULKUDBYLD-CAVNYTLZSA-N	726.521	2.762	30	40	KFEB	
O=C(N[C@@H]1OCCO[C@H]1NC(=O)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F	33354544	OECAFRUTKVSXGY-QWWZWVQMSA-N	510.178	2.584	30	40	KFEB	
C/C=C(\C)C(=O)O[C@@H]1[C@H](C)[C@]2(O)[C@H](C=C(CO)C[C@]3(O)C(=O)C(C)=C[C@@H]32)[C@@H]2C(C)(C)[C@@]12OC(=O)C(C)C	252505775	MVWXLRYZCZSBKW-RKJZPAEQSA-N	516.631	2.654	30	40	KFEB	biogenic,in-vitro
COc1cc(/C=N/Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)ccc1Oc1nc(N2CCOCC2)nc(N2CCOCC2)n1	8872284	WLBMYNBUISWDGQ-GZZLJNBRSA-N	660.784	2.957	30	40	KFEB	
COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCN2CCOCC2)cc(OC)c1OC	38140408	AVPLZNYCZADGQH-NSYGIPOTSA-N	538.597	2.946	30	40	KFEB	
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N[C@H]1CCCCNC1=O	70697241	QRXKFDDFOMNQEU-QYGCWDSGSA-N	556.700	2.927	30	40	KFEB	biogenic
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1cc(OC)c(OC(C)=O)cc1Br	408954961	PVPZVCNZIXCBLQ-QCECDCMESA-N	635.468	2.904	30	40	KFEB	
C#CCOc1c(/C=N\N[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc(I)cc1OC	408952024	NTHRIWQVGULYNG-AWQTYOERSA-N	678.480	2.832	30	40	KFEB	
COc1ccc(-c2cc(-c3ccco3)c(C#N)c(=O)n2[C@@H]2O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]2OC(C)=O)cc1	5808687	VMGHZVDHKNGKKJ-NWBQTEKMSA-N	622.583	2.911	30	40	KFEB	
C/C=C(\C)C(=O)O[C@H]1[C@H](C)[C@]2(O)[C@H](C=C(CO)C[C@@]3(O)C(=O)C(C)=C[C@@H]32)[C@H]2C(C)(C)[C@@]12OC(=O)C(C)C	1529054608	MVWXLRYZCZSBKW-DRTFLWBVSA-N	516.631	2.654	30	40	KFEB	
COc1ccc(OC)c([C@@H]2/C(=C(\O)c3sc(C)nc3C)C(=O)C(=O)N2CCCN2CCOCC2)c1	102865280	DLRHUVIKHARJPU-JBCNATCCSA-N	501.605	2.921	30	40	KFEB	
CCOC(=O)COc1ccc(/C=N/N[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1Br	408937855	AAPDNLHFTXJMAR-PEHSIZJOSA-N	649.495	2.912	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1ccccc1Cl	408952361	OAIVXRRDETVNRP-XIABNSLWSA-N	502.955	2.861	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1cc(Br)c(OC)cc1OC	408954983	PWNYWZYVOGJWQB-FYCKPONMSA-N	607.458	2.987	30	40	KFEB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC#N)cc3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409032668	MGTVUUPXKJFKKT-KLKBWYFJSA-N	591.642	2.651	30	40	KFEB	
O=C1[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C(=O)N1/N=C/c1cc(I)c(O)c(I)c1	409035117	PGJDCZNQKCKXIM-KQVHPVGASA-N	560.129	2.988	30	40	KFEB	
CC(=O)O[C@H]1C[C@]23C[C@@]24CC[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)[C@@H]4CC=C3[C@]2(C)C[C@@H]3O[C@]4(C[C@@H](C)[C@@H]3[C@@]12C)O[C@H](O)[C@@]1(C)O[C@H]14	2060993526	XUJMHSCMPCZWOV-RUVCLBBUSA-N	674.828	2.949	30	40	KFEB	
C=CCN1C(=O)/C(=c2/sc3n(c2=O)[C@H](c2ccccc2OC)C(C(=O)OCC)=C(C)N=3)c2ccccc21	143822120	AJMOHGVUFOFANS-ZHHPLPSFSA-N	515.591	2.710	30	40	KFEB	
C=CCOc1ccc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc1I	409123980	JLUOCVRPHJBXLY-LFIBNONCSA-N	514.341	2.751	30	40	KFEB	
COc1cc(OC)c2c(c1Cl)O[C@@]1(C(=O)C3=C(C[C@H]1C)Nc1c(c(=O)n(C)c(=O)n1C)[C@@H]3c1ccc3c(c1)OCCO3)C2=O	604405595	ROFWQNMKABGVIJ-DGPUCJDLSA-N	622.030	2.960	30	40	KFEB	biogenic
COC(=O)[C@@]12Oc3cc(C)c(-c4ccc(O)c5c4O[C@]4(C(=O)OC)C(=C(O)C[C@H](C)[C@@H]4OC(C)=O)C5=O)c(O)c3C(=O)C1=C(O)CC[C@@H]2O	150344671	YUNGLUVSQVBKQB-NCMNGAEISA-N	680.615	2.797	30	40	KFEB	biogenic,in-vitro
CC(C)(C)OC(=O)CCOCCOCCOCCOCCOCCOCCNC(=O)OCC1[C@@H]2CCC#CCC[C@@H]12	230497411	GEJQWPAOPDUTFO-CLJLJLNGSA-N	585.735	2.984	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1ccc(N(CC)CC)o1	408950227	MEDGYTGJPKWSEI-YIRKNMPWSA-N	529.594	2.646	30	40	KFEB	
COCCN1C(=O)C(O)=C(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@H]1c1cccc(Br)c1	6079891	GKUVDBMGIGVFLH-LJQANCHMSA-N	523.405	2.924	30	40	KFEB	
COc1cc(/C=N/Nc2cc(N3CCOCC3)nc(N3CCOCC3)n2)ccc1OC(=O)c1cccs1	9334362	JVQGXWHESBHBFP-YZSQISJMSA-N	524.603	2.885	30	40	KFEB	
O=C(c1ccc(/N=C2\N[C@H]3CS(=O)(=O)C[C@@H]3S2)cc1)N1CCN(CCOc2ccc(Cl)cc2)CC1	97986823	SJPVXORKBCIOKW-VXKWHMMOSA-N	535.091	2.666	30	40	KFEB	
C=CCn1c(=O)/c(=C2/Sc3ccc(OC)cc3N2C)s/c1=C1/C(=O)N(c2cccc([N+](=O)[O-])c2)N=C1C	102090544	CLLBUYMXBCMJGQ-AIMKKSDKSA-N	535.607	2.894	30	40	KFEB	
COC(=O)c1ccc([C@H]2/C(=C(\O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCCN2CCOCC2)cc1	102882829	OPFZEINYGNKVGT-ONDFOOFZSA-N	520.582	2.941	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1cc(Br)c(O)c(OC)c1	408952870	OEXYOUJXQRNMER-OKFFUVHGSA-N	593.431	2.684	30	40	KFEB	
C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N[C@@H](C(=O)O)[C@H](O)c1cccc([N+](=O)[O-])c1	150344801	LOYTWJIBXQKVSE-HSWSLWABSA-N	668.696	2.532	30	40	KFEB	
CCOc1ccc([C@@H]2C(C(=O)c3c(C)[nH]c(C(=O)OC)c3C)=C(O)C(=O)N2CCN2CCOCC2)cc1	20280772	ZSRBTBSMCCFCJI-HSZRJFAPSA-N	511.575	2.727	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C\c1cc(I)cc(OC)c1O	408944083	GHAYEVSVYKQFSS-VEMIAUMBSA-N	640.431	2.526	30	40	KFEB	
CC(=O)OC[C@@H]1O[C@@H](n2c(C)cc(-c3ccco3)c(C#N)c2=S)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	5955311	GFBCPZRUOVRRAL-UDIRQSBCSA-N	546.554	2.913	30	40	KFEB	
C=C1C(=O)[C@@]23[C@@H]([C@@H](OC(C)=O)C[C@@H]1[C@H]2OC(C)=O)[C@@]12CCC[C@@](C)(CO[C@@H]1OC)[C@H]2C[C@H]3OC(C)=O	68564893	NBQICXNAIRPEHX-WLIXYHPRSA-N	504.576	2.742	30	40	KFEB	
Ic1ccc(-c2ccc(/C=N\Nc3nc(N4CCOCC4)nc(N4CCOCC4)n3)o2)cc1	408731581	NTKKGYVVAKVCPG-IWIPYMOSSA-N	561.384	2.855	30	40	KFEB	
CCOc1cc(/C=N/Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)ccc1OCc1ccccc1C#N	408975131	HYLSCQUJKJHWOK-NDZAJKAJSA-N	544.616	2.840	30	40	KFEB	
CO[C@@H]1[C@@H](O)[C@H](C)O[C@@H](O[C@H]2CC[C@@]3(C=O)[C@@H](CC[C@@H]4[C@H]3CC[C@]3(C)[C@@H](c5ccc(=O)oc5)CC[C@]43O)C2)[C@H]1O	43574810	NYOVJCZRJINYSI-SNLBNMOKSA-N	560.684	2.927	30	40	KFEB	
C=CCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)sc2cc(S(N)(=O)=O)ccc21	100874680	KHPCVFLANPSDQS-BZZOAKBMSA-N	534.685	2.842	30	40	KFEB	
COc1ccc(/C(O)=C2\C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1OC	102874699	KWRMWEKOIICDBH-ZHHPLPSFSA-N	511.531	2.756	30	40	KFEB	
C#C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@@H](C(=O)N[C@H](CC(=O)O)C(=O)O)C(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C	118921206	WYUHHNBNAWYJMG-ZMANNESFSA-N	599.725	2.871	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1ccc(Cl)cc1	408950556	MHVQXVCORNGPLS-GSKHPKCTSA-N	502.955	2.861	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C\c1cc2c(cc1Cl)OCO2	408954359	PLBKKMFXTDZXCS-UIPVBVNDSA-N	546.964	2.589	30	40	KFEB	
C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OCC(=O)OC)c(OCC)c2)C(C(=O)OCC)=C(C)N=3)cc1	409047774	NCFSWSMUMLEOSD-NKYAOSOXSA-N	590.654	2.761	30	40	KFEB	
CC(=O)O[C@H]1C[C@]23C[C@@]24CC[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)[C@@H]4CC=C3[C@]2(C)C[C@@H]3O[C@]4(C[C@@H](C)[C@@H]3[C@@]12C)O[C@H](O)[C@@]1(C)O[C@@H]14	2060993524	XUJMHSCMPCZWOV-CMBDJIGWSA-N	674.828	2.949	30	40	KFEB	
CC(C)CNC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C	70697085	KOSXVWULRPOZFV-MWRQVSSFSA-N	517.663	2.885	30	40	KFEB	biogenic
CC(C)N1C(=O)[C@@H](CC(=O)Nc2cccc([N+](=O)[O-])c2)S/C1=N\c1ccc(S(=O)(=O)N2CCOCC2)cc1	97982124	WZEMPNWBQANOCB-MONKAWABSA-N	561.642	2.984	30	40	KFEB	
CCOC(=O)[C@](NC(=O)C(F)(F)C(F)(F)C(F)(F)F)(NS(=O)(=O)c1ccccc1)C(F)(F)F	102056072	YMHLCCDNHPJULT-LBPRGKRZSA-N	522.317	2.736	30	40	KFEB	
COc1c(I)cc(/C=N/n2c(C)nnc2S)cc1I	408847875	WLLHSUFAMUMFJJ-LHHJGKSTSA-N	500.103	2.975	30	40	KFEB	
CC(C)(C)OC(=O)NCC(=O)NCCCOCCOCCOCCCNC(=O)OCC1[C@H]2CCC#CCC[C@H]12	725239502	SPXNLNQWLORDDS-GOTSBHOMSA-N	553.697	2.623	30	40	KFEB	
COC(=O)[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C	79216687	JYOBYKXWDWDTOD-ZIPYWAHQSA-N	684.739	2.627	30	40	KFEB	biogenic
C=CCn1c(SCC(=O)N(CC)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)nnc1-c1ccccc1OC	95569864	VHCFFKAOTRKPSL-UHFFFAOYSA-N	547.641	2.765	30	40	KFEB	
CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc([N+](=O)[O-])c1OCC(=O)N1CCOCC1	409291495	PZVQULBFIONUQY-UHFFFAOYSA-N	544.362	2.749	30	40	KFEB	
C=CCOc1ccc(/C=N/N[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1	408946106	IFCIILXLZHPXLN-HOCPYKBASA-N	524.574	2.772	30	40	KFEB	
CC(=O)O[C@H](C)[C@@H]1C2=C(C(=O)C[C@@]1(C)O)C(=O)c1c(ccc(-c3ccc4c(c3O)C(=O)C3=C(C4=O)[C@H]([C@@H](C)OC(C)=O)[C@@](C)(O)CC3=O)c1O)C2=O	72127755	JGYMCVKOAWXEOB-PVTMWRRDSA-N	714.676	2.699	30	40	KFEB	
CC[C@H](C)[C@H](NC(=O)[C@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)C(C)C)C(=O)O	150344838	SVMLVPRFQSDMBZ-AHMMCNRFSA-N	674.832	2.869	30	40	KFEB	
C#C[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=NOCC(=O)N[C@H](CCC(N)=O)C(=O)O)CC[C@]4(C)[C@@H]3CC[C@@]21C	253533778	RKAXLDHTTPHZOB-OOSPJTPISA-N	513.635	2.521	30	40	KFEB	biogenic
C=CCc1cc(/C=N/N[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc(OC)c1OC	408943522	FVOORYHADQKJBV-ZSCWCSKLSA-N	568.627	2.953	30	40	KFEB	
C#CCOc1ccc(/C=N/N[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OCC	408944143	GLSAGGNVUINHFQ-AVMFPXLXSA-N	566.611	2.618	30	40	KFEB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(OCC#N)c(I)c3)C2=O)o1	409398052	BLRSWJVTSMSWSN-ZROIWOOFSA-N	507.240	2.666	30	40	KFEB	
C=CCN1C(=O)[C@@]2(/C(=C(\O)c3cc4ccccc4o3)C(=O)C(=O)N2CCN2CCOCC2)c2ccccc21	101254359	WAKUREMAELUUPG-YCRBRLKKSA-N	513.550	2.874	30	40	KFEB	
Cc1cc2c(C(C)C)c(O)c(O)c(/C=N/n3c(=O)[nH][nH]c3=O)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c(/C=N/n3c(=O)[nH][nH]c3=O)c2c1O	222345740	KXAGUERUDKIKCW-DCACQNQGSA-N	714.692	2.878	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1cccc(Br)c1	408942487	DRIXEWZYGPBHLX-JXTZEJCMSA-N	547.406	2.970	30	40	KFEB	
COc1ccc(-c2c(C#N)c(O)n([C@@H]3O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3OC(C)=O)c(=S)c2C#N)cc1	5540767	VQNSHERTLWENMD-VODKHDTNSA-N	613.601	2.598	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C\c1cc(Br)c(OC(C)=O)c(OC)c1	408948490	KKJXGTMBSNKZAY-QHGCRHBNSA-N	635.468	2.904	30	40	KFEB	
C=CCN1C(=O)[C@@]2(C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCCN2CCOCC2)c2ccccc21	24147119	HOBMDGYMXFFDOC-NDEPHWFRSA-N	505.546	2.813	30	40	KFEB	
CCOc1cc(C(=O)OCC(=O)Nc2sc3c(c2C#N)CCCC3)ccc1OCC(=O)N1CCOCC1	95946513	HFHIGKIKMQPPHQ-UHFFFAOYSA-N	527.599	2.930	30	40	KFEB	
C=CCN1C(=O)[C@@]2(C(C(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)=C(O)C(=O)N2CCN(C)C)c2ccccc21	98046887	GQYTVHKRFPJNGX-PMERELPUSA-N	578.691	2.688	30	40	KFEB	
C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N[C@@H](C(=O)O)[C@@H](O)c1ccccc1	118919102	ATBUFJDZMRCVPQ-VJYKFDJHSA-N	623.699	2.624	30	40	KFEB	
C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1	1874790	BEISOXARTJIQLN-ZSJKCPIUSA-N	564.616	2.916	30	40	KFEB	
COc1cc(/C=N/N2C(=O)[C@H](CC(=O)O)S/C2=N\c2c(C)n(C)n(-c3ccccc3)c2=O)ccc1O	2203867	DHVJKVYZGUXKPG-SGEXXSOVSA-N	509.544	2.639	30	40	KFEB	
CCOC(=O)COc1c(I)cc(/C=N/n2c(S)nnc2CC)cc1OCC	408860751	DHWFJZIAQGUOPJ-DJKKODMXSA-N	504.350	2.957	30	40	KFEB	
CCN1C(=O)[C@@]2(C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2CCCN2CCOCC2)c2ccccc21	24147554	BFXHFCBAWZFZSG-NDEPHWFRSA-N	505.571	2.517	30	40	KFEB	
CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](CC[C@@]3(C)[C@H](c4ccoc4)OC(=O)[C@H]4O[C@]432)[C@@]23COC(=O)C[C@@H]2OC(C)(C)[C@@H]13	67902625	IHOHGVDNDQTZGL-FHLYLBNUSA-N	528.554	2.679	30	40	KFEB	biogenic,in-vitro
CCCCCCCC(=O)OCC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C1)C(=O)c1c(OC)cccc1C3=O	95740174	MFUJRSZQSMPGLX-KOPDVYPHSA-N	669.724	2.913	30	40	KFEB	
CCOc1cc(/C=N/N[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)ccc1OC	408940672	CFXPUVGJHHVMQT-ZIAGWNQCSA-N	542.589	2.614	30	40	KFEB	
CCCN1C(=O)[C@]2(C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCN(C)C)c2ccccc21	20461112	IWPAURNKAOALEZ-MUUNZHRXSA-N	505.571	2.899	30	40	KFEB	
COC(=O)[C@H](O)[C@H]1C(C)(C)[C@H](OC(=O)C(C)C)[C@@]2(O)C(=O)[C@]1(C)[C@H]1CC[C@@]3(C)[C@H](c4ccoc4)OC(=O)C[C@H]3[C@]13O[C@H]23	67911543	ADDLXGZBTXNVDS-ZCWMACHDSA-N	588.650	2.516	30	40	KFEB	biogenic,in-vitro
C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=C/C(=N\OCC(=O)NC[C@@H](CC(=O)O)c5ccccc5)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO	118928208	SUEVDGAUQVQWFG-XZHWIDDPSA-N	596.721	2.960	30	40	KFEB	
Oc1c(Br)cc(Br)cc1/C=N/Nc1nc(N2CCCC2)nc(N2CCOCC2)n1	100037781	HWEPZPPYNQRRKI-SRZZPIQSSA-N	527.221	2.985	30	40	KFEB	
CN(C)S(=O)(=O)c1ccc(/C(O)=C2\C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccc(Br)c2)cc1	101101133	DFLHEUULMFXPDC-ZHHPLPSFSA-N	592.512	2.843	30	40	KFEB	
C=CCn1c(Cl)c(/C=N/NC(=S)NC[C@H]2CCCO2)s/c1=N/S(=O)(=O)c1cccs1	105534463	BWGVGQARHAXYCQ-DEMIZOJMSA-N	506.100	2.717	30	40	KFEB	
CCOc1ccc([C@@H]2C(C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)=C(O)C(=O)N2CCOC)cc1OC	9359610	BNDDZAOJSNSIRT-JOCHJYFZSA-N	518.588	2.569	30	40	KFEB	
Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCCCN3)cc2)cc1S(=O)(=O)N1CCOCC1	38145837	GOQRBEWALAGXRK-UHFFFAOYSA-N	534.660	2.519	30	40	KFEB	
C=CCOc1ccccc1/C=N/N[C@H](O)COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OCC	408938592	ATVJVILOKFGUEZ-VFCBNBPQSA-N	524.574	2.772	30	40	KFEB	
CC(=O)OC[C@@]12O[C@H]1[C@@H](OC(=O)c1ccc(OC(C)=O)cc1)[C@@H]1CCO[C@@H](O[C@H]3O[C@@H](COC(C)C)[C@H](OC(C)C)[C@@H](OC(C)=O)[C@@H]3OC(C)=O)[C@@H]12	250575994	DLERDUKLDUHAHQ-YXHLQRFPSA-N	736.764	2.654	30	40	KFEB	
O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)[C@H]1/C=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408740042	CPMLNVLBPQXVNB-KEGHGJGQSA-N	507.282	2.727	30	40	KFEB	
Cn1c(=O)[nH]c(=O)c2c1nc(N/N=C\C=C\c1ccccc1)n2C[C@H](O)COc1ccc(Br)cc1	100678293	LGINKHGRIPQZAX-SWIDMSRFSA-N	539.390	2.737	30	40	KFEB	
CN(C)S(=O)(=O)c1ccc(/C(O)=C2\C(=O)C(=O)N(CCN3CCCCC3)[C@@H]2c2ccc(F)cc2)cc1	102930457	NBKUHIUUFPUTDN-ZHHPLPSFSA-N	515.607	2.984	30	40	KFEB	
COc1ccc(C(=O)N[C@@H](CO)c2nnc(SCC(=O)Nc3sc4c(c3C#N)CCCC4)n2C)cc1	109026949	WILWNVHYZDNFPS-SFHVURJKSA-N	526.644	2.830	30	40	KFEB	
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@@]2(O)C(=O)COC(=O)CCC(=O)NCc1ccncc1	118920344	XDXIGUCJSZNBRG-OHQSNFDZSA-N	550.652	2.600	30	40	KFEB	
C=CCn1c(CCNC(=O)c2ccc(OC)cc2)nnc1SCC(=O)Nc1ccc(C(=O)OC)cc1	408596158	PLGWGBUHKOYZJG-UHFFFAOYSA-N	509.588	2.963	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1ccc(OCC#N)c(I)c1	408958548	WGFUFTVZTOADGC-JPWUEOFHSA-N	649.442	2.714	30	40	KFEB	
O=[N+]([O-])c1cc(C2(c3cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c3)OS(=O)(=O)c3ccccc32)cc([N+](=O)[O-])c1O	103651583	WFYIJZCRINGEDV-UHFFFAOYSA-N	534.371	2.741	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C\c1cc(Br)ccc1OC(C)=O	408937871	ACBBPNLQXTYPKX-MREIPRPDSA-N	605.442	2.895	30	40	KFEB	
N/C(=N\C(=S)Oc1cccnc1NC(=S)NC(=O)c1ccc2c(c1)OCCO2)c1ccc2c(c1)OCCO2	205414305	GUWAGGDKNMKBIL-UHFFFAOYSA-N	551.606	2.820	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1cc(Br)ccc1OCC#N	408959152	YNJQEPOLYKGQAH-JPWUEOFHSA-N	602.442	2.872	30	40	KFEB	
C=CCN1C(=O)/C(=c2/sc3n(c2=O)[C@@H](c2ccc(OC)c(OC)c2)C(C(=O)OCC)=C(C)N=3)c2ccccc21	630725	XQPTVXCGVHIBHO-NXLSWJSLSA-N	545.617	2.718	30	40	KFEB	
O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)C(F)(F)[C@]1(F)OC(F)(F)C(F)(F)C1(F)F	96022262	WDMDQNGQMFVQNT-HNNXBMFYSA-N	516.338	2.841	30	40	KFEB	
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cc(OC)ccc2OC)c1C	97952990	OKLUCESKFJNVHM-DEOSSOPVSA-N	541.601	2.736	30	40	KFEB	
C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NCCc1ccc(O)c(O)c1	118921250	KURRBQDJFMJEPP-LKEXYRIISA-N	597.705	2.883	30	40	KFEB	
C=CCOc1ccc(/C=N/N[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1	408946108	IFCIILXLZHPXLN-VFCBNBPQSA-N	524.574	2.772	30	40	KFEB	
CCN(CC)S(=O)(=O)c1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccco2)cc1	26779481	PUOSVIJKNDZBPF-QHCPKHFHSA-N	531.631	2.611	30	40	KFEB	
CC[C@@H](C)[C@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)C(=O)O	70692343	MMWQEYZXQLVYHN-BEIWOERBSA-N	575.699	2.728	30	40	KFEB	biogenic
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C\c1cccc(OC)c1OCC	408937859	AASDRUCQUBDBTD-LEZZXSSMSA-N	542.589	2.614	30	40	KFEB	
COc1cc(C=Nn2c(O)nc3ccccc3c2=O)c(Br)c(Cl)c1OCC(=O)N1CCOCC1	409363942	VBNIKMTYTHGAEK-UHFFFAOYSA-N	551.781	2.646	30	40	KFEB	
C#CCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N(CCOC)CCOC)cc2)sc2cccc(C)c21	100910464	SKHYUVDYDPHDPK-IZHYLOQSSA-N	501.630	2.669	30	40	KFEB	
CCC[C@@H]1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@@]2(C(=O)COS(C)(=O)=O)O1	230209395	UNRWYSJKJKUNPJ-MOYOPJDCSA-N	508.633	2.701	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C\c1cc(Br)c(OCC#N)c([N+](=O)[O-])c1	408958115	VHKLPHHPMXVSHX-IUEPJTOMSA-N	647.439	2.780	30	40	KFEB	
COc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCN2CCOCC2)c1OC	8827756	YAEGXPLQVPJNJK-DEOSSOPVSA-N	524.570	2.776	30	40	KFEB	
CC(C)(C)OC(=O)NCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(Br)c1	32634589	ITSLHUVABOHINT-QURIBOAPSA-N	504.428	2.575	30	40	KFEB	
C[C@H](CCC(=O)ON1C(=O)CCC1=O)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O	139456327	PCZWYGLQXFWTCF-NLLMDGPUSA-N	505.652	2.971	30	40	KFEB	
C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N[C@H](C(=O)O)[C@@H](O)c1cccc([N+](=O)[O-])c1	150344804	LOYTWJIBXQKVSE-CALXDXCESA-N	668.696	2.532	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1cc(I)c(O)c(OC)c1	408940395	BZAIZEHMELYSQP-VZHUXCPHSA-N	640.431	2.526	30	40	KFEB	
C=CCn1c(CNC(=O)c2ccc(C)cc2)nnc1SCC(=O)Nc1cccc(C(=O)N2CCOCC2)c1	409364051	VNNHXUUORNWMAZ-UHFFFAOYSA-N	534.642	2.906	30	40	KFEB	
COc1ccc([C@H]2C3=C(C[C@@H](C)[C@]4(Oc5c(Cl)c(OC)cc(OC)c5C4=O)C3=O)Nc3c2c(=O)n(C)c(=O)n3C)cc1O	524731235	PBLKVKXJKCXUNS-ZXSLXWSKSA-N	610.019	2.903	30	40	KFEB	biogenic
C/C=C(\C)C(=O)O[C@H]1[C@H](C)[C@@]2(O)[C@@H]3C=C(C)C(=O)[C@]3(O)CC(CO)=C[C@@H]2[C@H]2C(C)(C)[C@@]12OC(=O)C(C)C	1529054609	MVWXLRYZCZSBKW-SKJSBKPSSA-N	516.631	2.654	30	40	KFEB	
COc1cc(OC)c(C(=O)OCC(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCCCN3)c2)cc1OC	12541057	GHLHCBLHXUHAKY-UHFFFAOYSA-N	519.576	2.759	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1cc(Br)ccc1OCC#N	408959153	YNJQEPOLYKGQAH-LXIFSBEASA-N	602.442	2.872	30	40	KFEB	
N#Cc1ccccc1S(=O)(=O)Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(C(=O)COc2ccccc2)C1	3841445	IRXHQZRXDNMEAE-AZUAARDMSA-N	504.568	2.545	30	40	KFEB	biogenic,in-vitro
C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N(C3CCCCC3)[C@@H]3CCS(=O)(=O)C3)nnc12	12546956	IMYXPNIUUYRCMF-GOSISDBHSA-N	515.661	2.671	30	40	KFEB	
C[C@H](NC(=O)c1ccccc1NC(=O)COC(=O)CNS(=O)(=O)c1ccccc1C#N)c1ccccc1	16044362	KTTRVAKBVMKEAN-SFHVURJKSA-N	520.567	2.509	30	40	KFEB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)cc([N+](=O)[O-])c3OCC#N)C2=O)o1	409402072	VCUFOJXHRMOTNF-QPEQYQDCSA-N	505.237	2.732	30	40	KFEB	
O=C(c1ccc(Cl)c(/N=C2/N[C@@H]3CS(=O)(=O)C[C@@H]3S2)c1)N1CCN(Cc2ccccc2)CC1	20618028	FKCJNBAOJILKEF-RTWAWAEBSA-N	505.065	2.788	30	40	KFEB	
C#CCOc1ccccc1/C=c1\sc2n(c1=O)[C@H](c1cc(OC)c(OC)c(OC)c1)C(C(=O)OCC)=C(C)N=2	103788025	HQFHMADHKSLPLG-QKSFETHESA-N	548.617	2.836	30	40	KFEB	
CCOc1ccc(CCNC(=O)c2ccc(/N=C3\N[C@@H]4CS(=O)(=O)C[C@H]4S3)cc2)cc1OCC	2959481	VPHRVYADHLHMOF-DENIHFKCSA-N	503.646	2.946	30	40	KFEB	
C[C@H](C(=O)Oc1ccc([C@@H]2C3=C(Nc4[nH]c(=O)n(C)c(=O)c42)c2ccccc2C3=O)cc1)N1C(=O)c2ccccc2C1=O	1107372	NAYPOEAYVHOLME-IVZQSRNASA-N	574.549	2.829	30	40	KFEB	
O=C1Nc2ccccc2/C1=N/Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(Cc2ccccc2)CC1	59489828	VGHKAKICWXYDEM-UHFFFAOYSA-N	520.571	2.870	30	40	KFEB	
C#CCOc1ccc(/C=c2/sc3n(c2=O)[C@H](c2cccc(OC)c2OCC)C(C(=O)OCCOC)=C(C)N=3)cc1OC	408970589	IVVVEMRVKYREPZ-NTWBUQQASA-N	592.670	2.853	30	40	KFEB	
C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4O)c(=O)n32)cc1	408858512	POLVASXWUCBWCI-ZRELAVNMSA-N	566.548	2.885	30	40	KFEB	
COc1cc(/C=N\c2ccccc2Oc2cc(=O)n(C)c(=O)n2C)cc(I)c1O	8453927	VHMBFFIOXWVVRS-JJFYIABZSA-N	507.284	2.946	30	40	KFEB	
CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@@H]1c1ccc(Cl)cc1	97951344	CVAHKLOFDQTQOL-QFIPXVFZSA-N	534.034	2.501	30	40	KFEB	
C#CCOc1c(I)cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3OC)C2=O)cc1OC	409238562	KJIXEFWQKHYNHR-GZTJUZNOSA-N	561.332	2.852	30	40	KFEB	
C#C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N\OCC(=O)N5C[C@H](O)C[C@@H]5C(=O)OC)CC[C@]4(C)[C@H]3CC[C@@]21C	118918910	KWFXBLQFMPZAOR-VJVXQUAUSA-N	512.647	2.821	30	40	KFEB	
COC(=O)[C@]12C(=O)[C@@](C)(O)C(=O)[C@]1(C)C(C)=C[C@@H]1[C@]2(C)CC[C@H]2C(C)(C)[C@@H](OC(C)=O)CC[C@@]21C=O	253501055	VNBOCIKTDWMWMX-OMVOZREWSA-N	502.604	2.984	30	40	KFEB	biogenic,in-vitro
COC(=O)[C@H]1C[C@@H](O)CN1C(=O)CON=C1C=C[C@@]2(C)C(=C1)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O	253533803	RSSJAWQURRUEQB-BXFQOOSJSA-N	500.636	2.984	30	40	KFEB	biogenic
COC(=O)c1ccc([C@H]2/C(=C(\O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCN2CCOCC2)cc1	102540074	AFTDNBKGIQVZAS-VAGBDARLSA-N	506.555	2.551	30	40	KFEB	
C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4cc([N+](=O)[O-])ccc4O)c(=O)n32)cc1	408853774	RRSVRZGPSQJAEE-LJJBLSSYSA-N	521.551	2.977	30	40	KFEB	
C=CCN1C(=O)/C(=C/c2ccc(CNC(=O)C(=O)Nc3ccc(C(=O)OCC)cc3)o2)C(C(=O)OC)=C1C	409014571	QFKKMCOETAULJE-KGENOOAVSA-N	521.526	2.570	30	40	KFEB	
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/Nc2cc(N3CCOCC3)nc(N3CCOCC3)n2)o1	8407555	TXHFWXZRMGWOEV-PCLIKHOPSA-N	509.523	2.773	30	40	KFEB	
CN(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCN2CCOCC2)cc1	20267773	OVWKEJKZURVFBD-RUZDIDTESA-N	507.587	2.824	30	40	KFEB	
N#Cc1c(NC(=O)CN(CCN2CCOCC2)CC(=O)Nc2sc3c(c2C#N)CCC3)sc2c1CCC2	102849764	WULIYGHFQQMFHT-UHFFFAOYSA-N	538.699	2.742	30	40	KFEB	
CCOC(=O)c1[nH]c(C)c(/C(O)=C2\C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccccc2OC)c1C	102881663	REUBWDBSDUTUJR-ZZIWUOEGSA-N	525.602	2.961	30	40	KFEB	
C=C1[C@H](O)[C@@]2(O)OC[C@]34[C@@H]2[C@@]2(C)[C@H](O)C(=O)C=C(C)[C@@H]2C[C@H]3OC(=O)[C@@H](OC(=O)C/C=C(\C)CCCCC)[C@H]14	102948516	JNBOCJQZCHEASA-MIBVCXPQSA-N	544.641	2.525	30	40	KFEB	
C=CCN1C(=O)[C@@]2(C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCN2CCOCC2)c2ccccc21	98047160	XQNCETRQFQQIMP-QJWGWKRISA-N	543.620	2.997	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1ccc(OC)c(I)c1	408957627	UAXNVGINIXDANS-UXGPZQCPSA-N	624.432	2.820	30	40	KFEB	
CCOC(=O)COc1ccc(/C=N\Nc2nncn2/N=C\c2ccc(OCC(=O)OCC)c(OC)c2)cc1OC	97962900	IINNNPFNZFLJJM-OVBYOEBISA-N	554.560	2.507	30	40	KFEB	
O=C(COc1ccc(/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1Br)N1CCOCC1	409386838	NPLSKWAEPZBLFF-SRZZPIQSSA-N	508.285	2.949	30	40	KFEB	
CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	1569989226	NJZWDNHQMKEBGD-JXLWDPPOSA-N	664.874	2.976	30	40	KFEB	
C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)cc3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)cc1	1882464	DOHQNLYSYIRMOV-LWUPDDLQSA-N	532.574	2.815	30	40	KFEB	
CC(C)[C@@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C)C(=O)O	70692379	DVUSJQMNNVHDRK-KLWOVIOTSA-N	559.656	2.546	30	40	KFEB	biogenic
CCN1C(=O)[C@]2(C(C(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)=C(O)C(=O)N2CCCN(C)C)c2ccccc21	98046920	HYBKUDDUBZEFCD-GDLZYMKVSA-N	566.680	2.522	30	40	KFEB	
COc1cc([C@@H](CC(=O)NC2CCN(c3ncccc3C#N)CC2)c2oc(C)cc(=O)c2O)ccc1O	524731948	QEJGFEKXRHYHQB-HXUWFJFHSA-N	504.543	2.942	30	40	KFEB	biogenic
C[C@@H](CCCCCCCCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)C(=O)C1=C(O)N(C)[C@@H](C)C1=O	28972876	NHTZEZZBJRROIH-LONQYNSQSA-N	557.725	2.752	30	40	KFEB	biogenic
COC(=O)c1[nH]c(C)c(/C(O)=C2\C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccc(OC)c2)c1C	102878222	JMWKKSYSLRVEQU-COUQNMRISA-N	511.575	2.571	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1cc(I)c(OC)c([N+](=O)[O-])c1	408959473	ZUULQXUWZQLPNU-VZHUXCPHSA-N	669.429	2.729	30	40	KFEB	
COc1cc(OC)c2c(c1Cl)O[C@@]1(C(=O)C3=C(C[C@H]1C)Nc1c(c(=O)n(C)c(=O)n1C)[C@H]3c1ccc(O)cc1)C2=O	524732165	ZZCKZGQBKUWXLP-IPAQCRBRSA-N	579.993	2.895	30	40	KFEB	biogenic
C=CCN1C(=O)[C@]2(C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCCN2CCOCC2)c2ccccc21	24147114	HOBMDGYMXFFDOC-MUUNZHRXSA-N	505.546	2.813	30	40	KFEB	
COc1ccc2c3c1O[C@H]1[C@@]4(OC)C=C[C@]5([C@@H](C2)N(C)CC[C@]315)[C@H]1[C@H]4C(OS(=O)(=O)c2ccc(C)cc2)=CS1(=O)=O	70665014	DCZYXTFPZNWWQB-FEFVXZRJSA-N	597.711	2.878	30	40	KFEB	biogenic
COc1ccc(/C=c2/sc3n(c2=O)C(N)=C(S(=O)(=O)c2ccccc2)[C@@H](c2ccc(OC)cc2)C=3C#N)cc1	101393937	XGKUSWSNKCBMEW-WWNGRIQCSA-N	557.653	2.786	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C\c1cccc(OC)c1OCC	408937860	AASDRUCQUBDBTD-PUBGFQSKSA-N	542.589	2.614	30	40	KFEB	
COc1cc(OC)c2c(c1Cl)O[C@@]1(C(=O)/C(=C/N[C@H](CCS(C)(=O)=O)c3nc(-c4ccccn4)no3)C(=O)C[C@H]1C)C2=O	1547139253	QXCGXFQFSDSUCG-DSZWBBRKSA-N	631.063	2.944	30	40	KFEB	
CC(=O)O[C@@H](C)[C@@H]1C2=C(C(=O)C[C@@]1(C)O)C(=O)c1c(ccc(-c3ccc4c(c3O)C(=O)C3=C(C4=O)[C@H]([C@@H](C)OC(C)=O)[C@@](C)(O)CC3=O)c1O)C2=O	72127754	JGYMCVKOAWXEOB-IUTWBPBZSA-N	714.676	2.699	30	40	KFEB	
COc1ccc(NC(=O)COc2ccc(/C=N/Nc3ccc(S(N)(=O)=O)cc3[N+](=O)[O-])cc2OC)cc1	102984400	OZKDHWJLZNSNMI-DHRITJCHSA-N	529.531	2.723	30	40	KFEB	
CCOC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)CO/N=C1/C=C2CC[C@H]3[C@@H]4CC[C@](O)(C(=O)CO)[C@@]4(C)C[C@H](O)[C@@H]3[C@@]2(C)CC1	70700971	KTYRLEPPWJJZSP-OVPDXNPQSA-N	626.747	2.581	30	40	KFEB	
COc1cc(/C=N/Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)ccc1OC(=O)c1ccccc1Br	101087975	ZZRVGAXXZZJTQN-OGLMXYFKSA-N	598.458	2.981	30	40	KFEB	
COc1cc([C@H]2/C(=C(\O)c3cnn(-c4ccccc4)c3C)C(=O)C(=O)N2CCN2CCOCC2)cc(OC)c1OC	102526835	RFRYPZZRTNDTQG-CZNAVJSXSA-N	562.623	2.960	30	40	KFEB	
C=CCn1c(CNC(=O)c2ccc(OC)cc2)nnc1SCC(=O)N1CCN(c2ccccc2)CC1	409365470	XHOLPVVRRJZAQG-UHFFFAOYSA-N	506.632	2.844	30	40	KFEB	
C=C1[C@H](OC(C)=O)[C@@H](OC(=O)C(C)C)C(=O)C(C)(C)/C=C/[C@@H](C)C(=O)[C@@]2(OC(C)=O)C[C@@](C)(OC(C)=O)[C@H](OC(C)=O)[C@@H]2[C@H]1OC(C)=O	67902607	OSDVNRJELRKKGM-PNIRBJDYSA-N	678.728	2.919	30	40	KFEB	biogenic,in-vitro
COc1cc(OC)c(N2/C(=N\C(=O)CCNC(=O)OC(C)(C)C)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1Cl	101310297	KVPWAOHLOYRLFQ-WMJXBHLZSA-N	534.056	2.873	30	40	KFEB	
C=C(CCCCCCCCC)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1OP(=O)(O)O	263606645	RCLFDFMKMOJNRC-YJRFLRCFSA-N	961.859	2.752	30	40	KFEB	
C#CCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc1OC	408813691	UXVGOAKQUHSPGV-MHWRWJLKSA-N	513.300	2.923	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1cc(Br)cc(OC)c1O	408957220	SKVODJIPBBHPCK-OKFFUVHGSA-N	593.431	2.684	30	40	KFEB	
COc1ccc(/C=N/N=C2\NC(=O)[C@@H](CC(=O)Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)S2)cc1OC	102449385	CJHAQZICVOMOIW-XDEFOSFOSA-N	559.670	2.829	30	40	KFEB	
C=CC/N=C/[C@]12CC[C@@H](O[C@H]3C[C@@H](O)[C@@H](O)[C@@H](C)O3)C[C@@]1(O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@@]12O	118921194	OCOPISHUWCHCIR-GGYNRMOOSA-N	573.727	2.837	30	40	KFEB	
CCOC(=O)COc1ccc(/C=N/N[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1I	408937971	AGSOUKKDIWKNNR-NSXRUNHISA-N	696.495	2.754	30	40	KFEB	
COc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)ccc1OCC(=O)N1CCOCC1	409283290	OYQZJHNMWFQYGR-UHFFFAOYSA-N	515.364	2.596	30	40	KFEB	
NC1=C(c2nc3ccccc3[nH]2)C(=O)CN1NC(=O)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1	6017350	RSIJAKSEPJCQOR-UHFFFAOYSA-N	522.974	2.874	30	40	KFEB	
CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@]23C(=O)N(C)c2ccccc23)cc1	20059198	AKJNBAXTTGRUBB-NDEPHWFRSA-N	505.571	2.517	30	40	KFEB	
O=C(Oc1cccc(/C=N/Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)c1)c1ccccc1I	408726091	PQFZAPCHQXGHIB-WPWMEQJKSA-N	615.432	2.815	30	40	KFEB	
CCOC(=O)COc1c(Br)cc(/C=N\N[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1[N+](=O)[O-]	408954347	PKROGVICCRQBNA-SMCODTQGSA-N	694.492	2.820	30	40	KFEB	
Cc1nc2ccccn2c1/C(O)=C1\C(=O)C(=O)N(CCCN2CCOCC2)[C@H]1c1cccc([N+](=O)[O-])c1	102499747	AAHFQEFVAXVDAV-BUANBSPESA-N	505.531	2.695	30	40	KFEB	
COc1cc([C@@H]2/C(=C(\O)c3ccc(F)cc3)C(=O)C(=O)N2CCN2CCOCC2)cc(OC)c1OC	102510670	RCDIUFKAHONCAL-HOGKFDNTSA-N	500.523	2.605	30	40	KFEB	
CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)CN1CCOCC1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](CC(C)C)C(=O)[C@]1(C)CO1	255964764	BLMPQMFVWMYDKT-MTWOJAPMSA-N	719.924	2.584	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1ccccc1Br	408938530	AOLXUPNXPKHFGN-XIABNSLWSA-N	547.406	2.970	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C\c1cc(I)c(O)c(OCC)c1	408959423	ZPAKULQQDGWHLN-XFCWRSKXSA-N	654.458	2.916	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C\c1cc(Br)ccc1OC	408952365	OANURRKTZFDMTD-MYGYPVSFSA-N	577.432	2.978	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1ccc(OC(C)C)cc1	408956657	RQFFCHFOYAEBAH-JEDKUOLWSA-N	526.590	2.994	30	40	KFEB	
C=CCN1C(=O)[C@@]2(C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2CCCN2CCOCC2)c2ccccc21	24147260	CSGXULONNRXZTH-PMERELPUSA-N	531.609	2.991	30	40	KFEB	
c1ccc(CC23CN4CCN(CC(C4)/C2=N/N=C2\C4CN5CCN(C4)CC2(Cc2ccccc2)C5)C3)cc1	95483283	XCAOLZVVOKXBBD-HKQZHLORSA-N	508.714	2.764	30	40	KFEB	
COc1ccc(-n2c(=O)/c(=C/c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)s/c2=C(/C#N)C(=O)C(C)(C)C)cc1	102963472	UZWIQZJIICKRQL-JBKZKCMPSA-N	548.621	2.771	30	40	KFEB	
C#CCOc1ccc(Cl)cc1/C=N\N[C@H](O)COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OCC	408944871	GYOPFINHVDXCCC-MCRYNVSCSA-N	557.003	2.873	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1cc(OC)c(OC(C)=O)cc1Br	408954963	PVPZVCNZIXCBLQ-XXLVRETKSA-N	635.468	2.904	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C\c1cc(Br)ccc1O	408959147	YMLOFNKBQLBAGM-YZXKXALPSA-N	563.405	2.675	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C\c1cc(I)c(OC(C)=O)c(OC)c1	408939231	BAPUSOMTKMWKTC-MIODOHMVSA-N	682.468	2.746	30	40	KFEB	
C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC(C)=O)c3)c(=O)n2[C@H]1c1ccc(OC)cc1	2704433	IZVWEBZHKMVWBE-FCKOQQNDSA-N	504.564	2.898	30	40	KFEB	
CCCN1C(=O)[C@@]2(C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCN2CCOCC2)c2ccccc21	98046827	FSCOEFXFNPAZDZ-PMERELPUSA-N	547.608	2.669	30	40	KFEB	
CCOC(=O)c1[nH]c(C)c(/C(O)=C2\C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(OC)c(OC)c2)c1C	102864104	DAQVHXOTYAVCJO-QKJBWNOYSA-N	555.628	2.969	30	40	KFEB	
Cn1c(=O)[nH]c(=O)c2c1nc(N/N=C/c1cccc([N+](=O)[O-])c1)n2C[C@H](O)COc1ccc(Cl)cc1Cl	6444796	WOKNFBHZMMIPPV-MEOIJSEFSA-N	548.343	2.524	30	40	KFEB	
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(OC)c(OC)c2OC)c(O)c1	20309761	KPWVZSCZAXCEEG-OAQYLSRUSA-N	500.548	2.957	30	40	KFEB	
CC(C)(C)OC(=O)NCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Br)cc1	32635169	OMEJGSGNONIYFC-SQMCUVOGSA-N	518.455	2.965	30	40	KFEB	
CC(C)(C)OC(=O)CCOCCOCCOCCOCCOCCOCCNC(=O)OC[C@@H]1[C@H]2CCC#CCC[C@H]21	109280637	GEJQWPAOPDUTFO-UQWUFBTJSA-N	585.735	2.984	30	40	KFEB	
C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@@]2(O)C(=O)COC(=O)CCC(=O)NCc1ccc(C(=O)O)cc1	118920329	YJMJOHNBMDLHMO-HJZHDSNUSA-N	593.673	2.903	30	40	KFEB	
C=CCc1cc(/C=N/N[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc(OC)c1O	408957623	TZULHENDROUXGE-SIJOXOPISA-N	554.600	2.650	30	40	KFEB	
Cn1c(=O)c2c(nc(N/N=C/c3ccc(OC(=O)c4ccco4)cc3)n2Cc2ccc(F)cc2)n(C)c1=O	8683383	YUWHHJMWMQNBJL-CCVNUDIWSA-N	516.489	2.879	30	40	KFEB	
O=C(c1ccc(Cl)c(/N=C2\N[C@H]3CS(=O)(=O)C[C@H]3S2)c1)N1CCN(Cc2ccccc2)CC1	20618032	FKCJNBAOJILKEF-LEWJYISDSA-N	505.065	2.788	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1ccc(N(CC)CC)cc1O	408939737	BNKVHRSIEACXCQ-WOEPFXTOSA-N	555.632	2.759	30	40	KFEB	
CC(C)(C)OC(=O)NCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Br)cc1F	101311676	NNYBUQUGRRPFTI-YQBFYPLFSA-N	522.418	2.714	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C\c1cccc(OC(C)C)c1	408937883	ACXUCHWCFHZHQR-CDAZSXJKSA-N	526.590	2.994	30	40	KFEB	
C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)c1	17466174	KZEXODSPXRRDKR-GOSISDBHSA-N	541.047	2.524	30	40	KFEB	
Oc1c(I)cc(/C=N\Nc2ncc(F)c(N3CCOCC3)n2)cc1I	100187471	GPSGWQQXKQQUMC-SCDVKCJHSA-N	569.116	2.813	30	40	KFEB	
COC(=O)c1[nH]c(C)c(/C(O)=C2\C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccc(Cl)c2)c1C	102508420	OGJAXFSYDLISIK-OBVHCKHUSA-N	501.967	2.825	30	40	KFEB	
CCOC(=O)c1[nH]c(C)c(/C(O)=C2\C(=O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(C(=O)OC)cc2)c1C	102879189	FHCFCAGEZCFUJK-IAMBOQNYSA-N	511.575	2.968	30	40	KFEB	
C=CCN1C(=O)/C(=c2/sc3n(c2=O)[C@@H](c2ccccc2OC)C(C(=O)OCC)=C(C)N=3)c2ccccc21	143822318	AJMOHGVUFOFANS-AYWGPLOBSA-N	515.591	2.710	30	40	KFEB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC#N)cc3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409032669	MGTVUUPXKJFKKT-LKWZWFHSSA-N	591.642	2.651	30	40	KFEB	
C=CCc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C(=O)O)c3)C2=O)cc(OCC)c1OCC(=O)O	9933356	DKUKZQCYTNFTAJ-VCHYOVAHSA-N	510.524	2.807	30	40	KFEB	
CCN(CC)CCN1C(=O)C(=O)/C(=C(/O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@@H]1c1ccc(C)cc1	102717871	IUDOBAPZKKBPMT-IUKMQXEJSA-N	541.670	2.779	30	40	KFEB	
CC[C@H](C)[C@@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)C(=O)O	118917722	GUZLDXZWVDPPFB-KXTKLWOGSA-N	573.683	2.504	30	40	KFEB	
C/C=C(\C)C(=O)O[C@@H]1[C@H](C)[C@]2(O)[C@H](C=C(CO)C[C@]3(O)C(=O)C(C)=C[C@@H]32)[C@H]2C(C)(C)[C@]21OC(=O)C(C)C	252505777	MVWXLRYZCZSBKW-ZOGSDXNMSA-N	516.631	2.654	30	40	KFEB	biogenic,in-vitro
C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OC(C)=O)c(=O)n2[C@H]1c1ccc(OC(C)=O)cc1	2303717	SKQYQIWYEHQLTJ-GJFKPFFXSA-N	532.574	2.815	30	40	KFEB	
C=CCN1C(=O)/C(=C\c2ccc(Oc3nc(N4CCOCC4)nc(N4CCOCC4)n3)c(OC)c2)SC1=S	8872299	QMMUVGNOGNEQRR-CAPFRKAQSA-N	556.670	2.733	30	40	KFEB	
CCN(CC)CCN1C(=O)C(=O)/C(=C(/O)c2c(C)[nH]c(C(=O)OC)c2C)[C@H]1c1ccc(C(=O)OC)cc1	9070286	DBTSIRPAJZSMBP-IAMBOQNYSA-N	511.575	2.968	30	40	KFEB	
CCN(CC)C(=O)[C@@H]1CCCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2N/N=C2\C(=O)N(C)c3ccccc32)C1	100187267	XPKMHHFCURNGJI-BUXPXJLHSA-N	542.618	2.657	30	40	KFEB	
CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)CN1CCOCC1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1	160511901	BLMPQMFVWMYDKT-YKJJAACJSA-N	719.924	2.584	30	40	KFEB	
CCOC(=O)COc1c(/C=N\N[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc(Br)cc1OC	408942660	DXROPMNDJFEHEF-YSIUDXQCSA-N	679.521	2.920	30	40	KFEB	
COc1cc(OC)c2c(c1Cl)O[C@@]1(C(=O)C=C(N3CCN(Cc4cnn(C)c4)CC3)C[C@H]1C)C2=O	1547139057	ZNJPDTTXHIXUAE-BZQUYTCOSA-N	500.983	2.715	30	40	KFEB	biogenic
C=CCn1c(=O)c2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2n(CC(=O)N(CCC)CCC)c1=O	9692719	QDZUAXLDNGNETD-UHFFFAOYSA-N	520.586	2.657	30	40	KFEB	
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)[C@@]12C(=O)N(C)c1ccccc12	98046775	OJMSMJCAWISJBV-LJAQVGFWSA-N	566.680	2.522	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1cccc(Cl)c1	408944986	HCSSJJTWBSGGHM-GSKHPKCTSA-N	502.955	2.861	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1ccc(Br)o1	408955594	QREDMLXKDXDOAU-YNKHZBRRSA-N	537.367	2.563	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1cc(I)c(OC)c(OC)c1	408959030	YAWJXEWJJJHKFK-LZUCMQGPSA-N	654.458	2.829	30	40	KFEB	
C#CCOc1c(I)cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1OCC	409374544	SJUWTDUCHGNAOI-OQLLNIDSSA-N	520.279	2.957	30	40	KFEB	
CCCN1C(=O)[C@]2(C(C(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)=C(O)C(=O)N2CCCN(C)C)c2ccccc21	98046922	SCCQWSCBPVPVLS-SSEXGKCCSA-N	580.707	2.912	30	40	KFEB	
CC(=O)OC[C@H]1O[C@@H](O[C@H]2[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](Oc3ccc(C(=O)/C=C/c4ccccc4)cc3)O[C@@H]2COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	169797628	GPLLQPQOBZZNNJ-UKGIPFPBSA-N	842.800	2.581	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1cc(Br)c(OC)c([N+](=O)[O-])c1	408949401	LMLBFOHMJBOJRY-MKMNMNSVSA-N	622.429	2.886	30	40	KFEB	
O=[N+]([O-])c1cc(Br)c(O)c(/C=N/Nc2nc(=NCc3ccccc3)nc(N3CCOCC3)[nH]2)c1	408718467	PPVRXAKXZVWPIJ-ZMOGYAJESA-N	529.355	2.565	30	40	KFEB	
C#CCOc1c(/C=c2\sc3n(c2=O)[C@H](c2ccc(F)cc2)C(C(=O)OCC)=C(C)N=3)cccc1OC	408805907	IFKUOSIVJLAINZ-FQWPPLDYSA-N	506.555	2.958	30	40	KFEB	
CN1C(=O)[C@@]2(C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCCN2CCOCC2)c2ccccc21	4395200	RERMUXIDMZSDKJ-SANMLTNESA-N	540.414	2.880	30	40	KFEB	
Cc1c(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cnn1-c1ccccc1	8837138	KHPUFEGJLWGEHQ-XMMPIXPASA-N	517.542	2.999	30	40	KFEB	
COC(=O)c1cc2cc3c(c(O)c2c(=O)o1)O[C@@]1(CC3)CC2=C(O1)C(=O)c1c(O)c(OC)cc(OC)c1C2=O	85841184	FXCBZGHGMRSWJD-HHHXNRCGSA-N	536.445	2.783	30	40	KFEB	biogenic
O=C(c1ccc(/N=C2\N[C@H]3CS(=O)(=O)C[C@H]3S2)cc1)N1CCN(CCOc2ccc(Cl)cc2)CC1	97986825	SJPVXORKBCIOKW-FCHUYYIVSA-N	535.091	2.666	30	40	KFEB	
CN(C)S(=O)(=O)c1ccc(/C(O)=C2\C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(Cl)cc2)cc1	102877506	LUHWWTWVMMEAAC-AYWGPLOBSA-N	548.061	2.734	30	40	KFEB	
Cc1ccc(S(=O)(=O)N/N=C(/CC(=O)c2c(C)[n+]([O-])c3ccccc3[n+]2[O-])C(=O)Nc2ccccc2C)cc1	102950585	JVDDEAXRLACPPK-IADYIPOJSA-N	547.593	2.578	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C\c1cccc(OC)c1OCC	408937862	AASDRUCQUBDBTD-RCULONRVSA-N	542.589	2.614	30	40	KFEB	
CCOc1ccc([C@H]2/C(=C(\O)c3ccc(S(=O)(=O)N(C)C)cc3)C(=O)C(=O)N2CCCOC)cc1OC	102558458	NHLVOADBWLDXOS-AYWGPLOBSA-N	532.615	2.802	30	40	KFEB	
CCOC(=O)COc1c(/C=N\N[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc(Br)cc1OC	408942657	DXROPMNDJFEHEF-OFWLHAAJSA-N	679.521	2.920	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1cc(Cl)c(O)c(OC)c1	408959455	ZSLBYJBBBWZGMX-OKFFUVHGSA-N	548.980	2.575	30	40	KFEB	
O=C(Oc1ccc(/C=N/Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1)c1ccccc1Cl	8872352	FHXLQRCXGZLYBI-WPWMEQJKSA-N	523.981	2.863	30	40	KFEB	
C=CC(C)(C)OC[C@H]1O[C@H](O[C@@H]2C3=C([C@H](C)COC(C)=O)C[C@H](O)[C@]3(C)C=C3[C@@H](COC)CC[C@H]3[C@@H](C)[C@H]2O)[C@H](O)[C@@H](OC(C)=O)[C@@H]1O	87495977	KXTYBXCEQOANSX-HPVXDZOISA-N	680.832	2.608	30	40	KFEB	in-vivo
COc1cc(C(=O)OCC(=O)/C=C2/N(C)c3ccccc3C2(C)C)ccc1OCC(=O)N1CCOCC1	103127321	NYFAHAWDSBFYJY-PCLIKHOPSA-N	508.571	2.970	30	40	KFEB	
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2C[C@@H]2CCCO2)c(OC)c2c1OCO2	85412805	JBCKALSKSCWBLU-VBKZILBWSA-N	511.483	2.919	30	40	KFEB	
COc1cccc([C@H]2/C(=C(\O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCCN2CCOCC2)c1OC	102696915	LRSRVHWDTQFOMU-NXLSWJSLSA-N	524.570	2.619	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1cc(OC)c(OCC#N)cc1Br	408950165	MDBVDLTYSGEBNN-YOLVJKMWSA-N	632.468	2.881	30	40	KFEB	
O=C1Nc2c(Cl)cc(Cl)cc2/C1=N\Nc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-]	12561307	JHKFWXDFOHWWNA-UHFFFAOYSA-N	500.320	2.691	30	40	KFEB	
CCCN1C(=O)/C(=N\Nc2nc3c(c(=O)[nH]c(=O)n3C)n2C[C@H](O)COc2ccc3ccccc3c2)c2ccccc21	97969334	XOZQQEGOQPDCFW-LISNJYIYSA-N	567.606	2.589	30	40	KFEB	
C/C=C(\C)C(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H](C=C(CO)C[C@@]3(O)C(=O)C(C)=C[C@@H]32)[C@H]2C(C)(C)[C@@]21OC(=O)C(C)C	100070139	MVWXLRYZCZSBKW-QBSIDAFRSA-N	516.631	2.654	30	40	KFEB	biogenic,in-vitro
Cc1nc2c(C)cccn2c1/C(O)=C1\C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccc([N+](=O)[O-])cc1	102538358	QJXIWYAMRQGMFF-HFEWCJDKSA-N	505.531	2.613	30	40	KFEB	
COC(=O)[C@@H](C)Oc1c(I)cc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1I	409403278	HQIUNRALYGYWIT-HTJBVVOSSA-N	620.181	2.977	30	40	KFEB	
COc1cc([C@@H]2C(C(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)=C(O)C(=O)N2C[C@H]2CCCO2)ccc1O	1099082	CDYVWDBHKCWKSF-NTKDMRAZSA-N	542.610	2.943	30	40	KFEB	
COc1ccc(OC)c([C@H]2/C(=C(\O)c3c(C)nc4ccccn34)C(=O)C(=O)N2CCCN2CCOCC2)c1	102514194	CVAOCSMYEQTDCC-QKJBWNOYSA-N	520.586	2.804	30	40	KFEB	
COCCN1C(=O)C(=O)/C(=C(/O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)[C@H]1c1ccc(OC)cc1	102870047	GAVYMOIDGOGGCC-ZHHPLPSFSA-N	514.600	2.938	30	40	KFEB	
CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(OCC#N)c(OC)c4)c(=O)n32)cc1OCC	408933096	HKVWZMOLJGUHSU-RVEICJNFSA-N	549.605	2.726	30	40	KFEB	
CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(OCC(=O)N2CCOCC2)c(OC)c1	409289414	GJFDJKUINJEUDF-UHFFFAOYSA-N	559.417	2.858	30	40	KFEB	
C#C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@@H]5C(=O)O)C(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C	118918993	CISVREYUELBLRR-HKMUUGEPSA-N	597.753	2.873	30	40	KFEB	
C=CCn1c(Cl)c(/C=N\NC(=S)NC[C@@H]2CCCO2)s/c1=N/S(=O)(=O)c1cccs1	33557073	BWGVGQARHAXYCQ-JSIVYXDWSA-N	506.100	2.717	30	40	KFEB	
CC(C)C[C@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)C(=O)O	70692072	ZVHQVQOJWRLBNC-FEUKDRPYSA-N	575.699	2.728	30	40	KFEB	biogenic
COc1cc(-c2ccc(N/N=C3/C=Cc4c(S(=O)(=O)O)cc(S(=O)(=O)O)c(N)c4C3=O)c(OC)c2)ccc1N/N=C1/C=Cc2c(S(=O)(=O)O)cc(S(=O)(=O)O)c(N)c2C1=O	195793908	BGULJNMSWJQIEK-AYALNUJPSA-N	904.892	2.877	30	40	KFEB	
COC1=CC(=O)c2c(O)c3c(c(C)c2C1=O)C[C@@]1(O)[C@H](O[C@H]2CC[C@H](O[C@H]4C[C@@](C)(O)[C@H](OC(=O)c5c(C)ccc(C)c5O)[C@H](C)O4)[C@@H](C)O2)C(=O)/C(=C(/C)O)C(=O)[C@@]1(O)C3=O	255256949	OWRCRVABZYJUES-FLJLGRLJSA-N	864.850	2.524	30	40	KFEB	in-vitro
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1cc(Cl)c(OC)c(OC)c1	408955008	PXHRHCHGFWMRJA-QPXJVWDBSA-N	563.007	2.878	30	40	KFEB	
COc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc(Br)c1OCC(N)=O	409282764	QKCPMGLUXHXNST-UHFFFAOYSA-N	524.169	2.985	30	40	KFEB	
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@@H]1c1ccc(C)cc1	38152184	SCOQLAFUFFNONL-VWLOTQADSA-N	541.670	2.936	30	40	KFEB	
C[C@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	150405313	DFRXHIAUDQUDMM-XEQKCISYSA-N	719.832	2.911	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1cc(Cl)ccc1O	408946003	HZPVJUMOPDSDMR-ROKKHWFHSA-N	518.954	2.566	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C\c1cc(Br)c(OCC#N)c([N+](=O)[O-])c1	408958117	VHKLPHHPMXVSHX-QVZULWIFSA-N	647.439	2.780	30	40	KFEB	
CCN1C(=O)[C@]2(C(C(=O)c3ccc(C)c(F)c3)=C(O)C(=O)N2CCCN2CCOCC2)c2ccccc21	16741239	DOTJSSCZNSJYTP-MUUNZHRXSA-N	507.562	2.955	30	40	KFEB	
C=C1C(=O)[C@]23[C@@H]([C@@H](OC(C)=O)C[C@@H]1[C@H]2OC(C)=O)[C@@]12CCC[C@@](C)(CO[C@H]1OC)[C@H]2C[C@H]3OC(C)=O	100359418	NBQICXNAIRPEHX-WEIFTIMQSA-N	504.576	2.742	30	40	KFEB	
C[C@@H]1O[C@H](CC(=O)O)Cc2c(O)c3c(c(O)c21)C(=O)C=C(C1=CC(=O)c2c(O)c4c(c(O)c2C1=O)C[C@H](CC(=O)O)O[C@@H]4C)C3=O	8585927	FBNNGLOOTUKVRQ-BKUVIOGVSA-N	634.546	2.774	30	40	KFEB	in-vitro
COc1cccc([C@@H]2/C(=C(\O)c3c(C)nc4ccccn34)C(=O)C(=O)N2CCCN2CCOCC2)c1OC	102508583	OCTLVRGHRPHAAO-ZZIWUOEGSA-N	520.586	2.804	30	40	KFEB	
O=[N+]([O-])c1cc(-c2ccc(/C=N/Nc3nc(N4CCOCC4)nc(N4CCOCC4)n3)o2)ccc1Cl	8445684	LUWMCZVCUYNAHC-ZVHZXABRSA-N	514.930	2.812	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1cc(I)c(O)c(OC)c1	408940382	BZAIZEHMELYSQP-MKMNMNSVSA-N	640.431	2.526	30	40	KFEB	
C#CCOc1ccc(Cl)cc1/C=N\N[C@@H](O)COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OCC	408944864	GYOPFINHVDXCCC-DTKWVCNXSA-N	557.003	2.873	30	40	KFEB	
COc1ccc([C@@H]2C(C(=O)c3c(C)nc4ccccn34)=C(O)C(=O)N2CCCN2CCOCC2)cc1OC	8827098	QGDLEBICGRHQFX-RUZDIDTESA-N	520.586	2.961	30	40	KFEB	
C=CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(C)=O)c(OC)c3)c(=O)n2[C@@H]1c1ccccc1	27017419	IERFYHPUFOJJOG-WLGHQHAYSA-N	504.564	2.898	30	40	KFEB	
CC(=O)O[C@]1(C(=O)COC(=O)CCC(=O)N[C@@H](CC(=O)O)C(=O)O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C	70692251	RBWQCFLZMDHLPU-SIPPXFDCSA-N	603.665	2.757	30	40	KFEB	biogenic
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(OC)cc2OC)c1C	98046630	DNNMEXAZZPBIKM-DEOSSOPVSA-N	541.601	2.736	30	40	KFEB	
COc1ccc(/C=N/N=C2\NC(=O)[C@@H](CC(=O)Nc3ccc(S(=O)(=O)Nc4nc(C)cc(C)n4)cc3)S2)cc1OC	101619726	KIYWKYXLLVPONW-QESWDSMOSA-N	597.679	2.862	30	40	KFEB	
C=C1[C@H](O)[C@H]2/C=C/C[C@@H](C)C(=O)[C@@](C)(O)/C=C\[C@@H](OC(C)=O)[C@@]23C(=O)N[C@@H](Cc2ccccc2)[C@@H]3[C@H]1C	584567011	SDZRWUKZFQQKKV-VPEOLBTESA-N	507.627	2.917	30	40	KFEB	
CN1C[C@H](OCCOCCOCCOCCN2C(=O)c3ccccc3C2=O)C[C@H]1COc1nc2c(c(N3CCN(C(=O)OCc4ccccc4)[C@@H](CC#N)C3)n1)CCNC2	1848349804	RLYCTEGJKCAPGP-DHWXLLNHSA-N	826.952	2.677	30	40	KFEB	
COc1cc([C@H]2C3=C(C[C@@H](C)[C@]4(Oc5c(Cl)c(OC)cc(OC)c5C4=O)C3=O)Nc3c2c(=O)n(C)c(=O)n3C)cc(OC)c1O	524731045	IICCYUKUTLVGQC-XOQCWRCGSA-N	640.045	2.912	30	40	KFEB	biogenic
CCC[C@H]1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)COS(C)(=O)=O)O1	12875818	UNRWYSJKJKUNPJ-MVBDEECLSA-N	508.633	2.701	30	40	KFEB	biogenic
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1cc(Br)c(OCC#N)c(OC)c1	408944847	GXXDFCZXFUNHKA-ADODYWCFSA-N	632.468	2.881	30	40	KFEB	
CCOc1cc(C=Nn2c(O)nc3ccccc3c2=O)cc(I)c1O[C@H](C)C(=O)O	409359168	NHILNWFCMIZJNP-LLVKDONJSA-N	523.283	2.840	30	40	KFEB	
COc1ccc(/C=N/N=C2\NC(=O)[C@H](CC(=O)Nc3ccc(S(=O)(=O)Nc4nc(C)cc(C)n4)cc3)S2)cc1OC	101619735	KIYWKYXLLVPONW-VATWTLTGSA-N	597.679	2.862	30	40	KFEB	
C=C1C(=O)[C@]23[C@@H]([C@@H](OC(C)=O)C[C@@H]1[C@H]2OC(C)=O)[C@@]12CCC[C@@](C)(CO[C@H]1OC(C)=O)[C@H]2C[C@H]3OC(C)=O	100359440	PKAQCABUOJRSOE-ZUGLYHEYSA-N	532.586	2.659	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C\c1c(C)n(CC#N)c2ccccc12	408946917	IXPMQUOWXFNDJA-DJWYDINGSA-N	560.611	2.994	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1cc(Br)c(OCC(=O)OC)c(OCC)c1	408959111	YHTBPUDLXSAFGV-CAVNYTLZSA-N	679.521	2.920	30	40	KFEB	
CCOC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CO/N=C1/C=C2CC[C@H]3[C@@H]4CC[C@](O)(C(=O)CO)[C@@]4(C)C[C@H](O)[C@@H]3[C@@]2(C)CC1	70700972	KTYRLEPPWJJZSP-JRRLDFHFSA-N	626.747	2.581	30	40	KFEB	
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=C/C(=N/OCC(=O)NCc5ccc(C(=O)O)cc5)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO	85907015	QMBVEJCUARVHHU-FXSMBNECSA-N	568.667	2.600	30	40	KFEB	
CCS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCCCN2)cc1	13146528	QUJPLHQJSDQTII-JOCHJYFZSA-N	518.661	2.653	30	40	KFEB	
CO[C@@H]1C[C@H](O[C@@H]2CC[C@]3(/C=N/CCCO)[C@H]4CC[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)O[C@@H](C)[C@H]1O	70708188	WTQHODYWVQKVNY-HJIRBWMQSA-N	605.769	2.688	30	40	KFEB	biogenic
COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN2CCCC2)cc2c1OCO2	96335832	WTSLNOAMJWHGDJ-QHCPKHFHSA-N	508.527	2.869	30	40	KFEB	
CCCN1C(=O)[C@@]2(/C(=C(\O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCCN(C)C)c2ccccc21	102580216	NARIUWSAIXKOCF-PWBNPAGMSA-N	505.571	2.742	30	40	KFEB	
CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=NOCC(=O)N5C[C@@H](O)C[C@@H]5C(=O)O)CC[C@]4(C)[C@H]3CC[C@@]21C	253534057	XQSIZZYMZMLQIG-FWSACKGFSA-N	516.635	2.688	30	40	KFEB	biogenic
C#CCOc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1OC	408807251	GPGSUTQREFHXTN-OQLLNIDSSA-N	518.263	2.684	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1c(C)[nH]c2ccccc12	408955610	QRJWTILDFLTVAA-NKKZKYQCSA-N	521.574	2.997	30	40	KFEB	
CCOc1c(OC)cccc1[C@@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3cccc(OCC#N)c3)c(=O)n21	408963610	HPEUFBIZEKZNSH-LBKCIFGTSA-N	563.632	2.734	30	40	KFEB	
COC[C@@H](C)OC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCN(Cc2ccc3c(c2)OCO3)CC1	57063751	GEKQBGNRBCZKSD-UYAOXDASSA-N	503.559	2.866	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1cc(I)c(OCC(=O)O)c(I)c1	408959357	ZKIFGGGMNQJLPV-PYAVKXPSSA-N	794.337	2.880	30	40	KFEB	
CCOc1cc(/C=N/Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)ccc1OC(=O)c1ccc(C)cc1	6600507	CGJIDBOIEOJJGZ-VUTHCHCSSA-N	547.616	2.917	30	40	KFEB	
C=CCn1c(SCc2nc(N)c3c(C)c(C(=O)OCC)sc3n2)nnc1[C@@H]1CCS(=O)(=O)C1	23936524	SINXAPKNPOZSSI-GFCCVEGCSA-N	508.651	2.731	30	40	KFEB	
C=CCn1c(SCC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(CC(=O)OC)c2=O)nnc1-c1cccc(C)c1	103072479	QTLBHIWEISIVCV-UHFFFAOYSA-N	560.636	2.541	30	40	KFEB	
C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OCC)c(OCC)c2)C(C(=O)OC)=CN=3)cc1OC	408938870	SLKZEDUPUCFXGX-MJRUJHQZSA-N	548.617	2.836	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1cc(I)c(OCC#N)c(OC)c1	408939828	BREPRLZAURBNDD-OZORCGAZSA-N	679.468	2.723	30	40	KFEB	
CCOC(=O)COc1c(I)cc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1OCC	409405155	MSKQGFZBZGIOPW-KODHJQJWSA-N	538.338	2.773	30	40	KFEB	
C=CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)nnc1[C@H](CO)NC(=O)c1ccc(OC)cc1	110477098	QJVSZHDQVSANML-FQEVSTJZSA-N	526.575	2.884	30	40	KFEB	
CCOC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)CO/N=C1/C=C2CC[C@H]3[C@@H]4CC[C@](O)(C(=O)CO)[C@@]4(C)C[C@@H](O)[C@@H]3[C@@]2(C)CC1	118920869	KTYRLEPPWJJZSP-GNWOSKSFSA-N	626.747	2.581	30	40	KFEB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3OCC#N)c(=O)n2[C@@H]1c1ccc(F)cc1	408808159	DXGGDLDROFXJPO-FBHQFGEZSA-N	507.543	2.848	30	40	KFEB	
COc1cc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)Nc2ccccc2C#N)ccc1OC(C)=O	409383184	UYXJUNPKNAKLMX-SVBPBHIXSA-N	634.550	2.900	30	40	KFEB	
COc1cc(OC)c2c(c1Cl)O[C@@]1(C(=O)C=C(N3CC(C(=O)NCc4nc(C(C)C)no4)C3)C[C@H]1C)C2=O	1547139058	JHELAQHKMFTQPY-SRGMZFCMSA-N	544.992	2.919	30	40	KFEB	biogenic
COCCN1C(=O)C(O)=C(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)[C@@H]1c1ccc(O)cc1	9328733	VUQYVEBIAQMDQG-QFIPXVFZSA-N	500.573	2.792	30	40	KFEB	
CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCCCN3)cc2)C1=O	12882611	KXXAMCBAYNHVFA-RUZDIDTESA-N	511.604	2.733	30	40	KFEB	
CC(=O)O[C@@H]1C(=O)[C@]2(C)[C@@H](CC[C@@]3(C)[C@H](c4ccoc4)OC(=O)[C@H]4O[C@]432)[C@@]23COC(=O)C[C@@H]2OC(C)(C)[C@@H]13	67902626	IHOHGVDNDQTZGL-BCMALJPISA-N	528.554	2.679	30	40	KFEB	biogenic,in-vitro
COC(=O)[C@H](O)[C@H]1C(C)(C)[C@H](OC(=O)C(C)C)[C@@]2(O)C(=O)[C@]1(C)[C@@H]1CC[C@]3(C)[C@H](CC(=O)O[C@H]3c3ccoc3)[C@]13O[C@H]23	67911534	ADDLXGZBTXNVDS-KBGYDJIKSA-N	588.650	2.516	30	40	KFEB	biogenic,in-vitro
O=[N+]([O-])c1ccc(N/N=C2\C=C(S(=O)(=O)O)c3ccccc3\C2=N/Nc2ccc([N+](=O)[O-])cn2)nc1	104364373	DSWXTZOKTQVAPL-JKKXZILISA-N	510.448	2.820	30	40	KFEB	
C=CCOC(=O)CCCN1C(=O)/C(=C2\SC(=S)N(CCCC(=O)OCC=C)C2=O)SC1=S	6142522	PAOCSQBWXIUQIK-FOCLMDBBSA-N	514.672	2.937	30	40	KFEB	
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(OC)c(OC)c2)c1C	97953939	HQWGNAUJFXRFMB-XMMPIXPASA-N	541.601	2.736	30	40	KFEB	
COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC#N)c(OC)c3)c(=O)n2[C@H]1c1cc(Cl)ccc1OC	408956715	ZMMKHFDSGPRPQI-JUTHHCEFSA-N	539.997	2.981	30	40	KFEB	
CO[C@H]1[C@@H](O[C@@H]2O[C@H](C)[C@H](O[C@@H]3C[C@](C)(O)[C@H](O)[C@H](C)O3)[C@@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)[C@@H](O[C@@H]2CC[C@H](N(C)C)[C@H](C)O2)/C=C/C=C\C[C@@H](C)OC(=O)C[C@H]1OC(C)=O	504209443	ZPCCSZFPOXBNDL-GNCQRALFSA-N	885.102	2.896	30	40	KFEB	
Cc1ccc([C@@H]2C(C(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)=C(O)C(=O)N2CCCN(C)C)cc1	16742422	AKROSUHNUYNUIX-XMMPIXPASA-N	527.643	2.546	30	40	KFEB	
COc1cc(/C=C2\SC(=S)N(/N=C/c3ccc(OCC(=O)O)c(OC)c3)C2=O)ccc1OCC(=O)O	104579030	BMQUSIVATNOHOH-PQQHKIEUSA-N	532.552	2.866	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1cc(Cl)c(OCC(=O)O)c(OCC)c1	408955954	RBNAGVBBDGGMJB-NQVRMTPQSA-N	621.043	2.723	30	40	KFEB	
C=CCN1C(=O)/C(=c2/sc3n(c2=O)[C@H](c2cccc(OC)c2)C(C(=O)OCC)=C(C)N=3)c2ccccc21	409386739	FZCPIQDKMFYZHK-ZHHPLPSFSA-N	515.591	2.710	30	40	KFEB	
Cc1nc2c(C)cccn2c1/C(O)=C1\C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1cccc([N+](=O)[O-])c1	102931160	RESUZFBYMDNZCC-HFEWCJDKSA-N	505.531	2.613	30	40	KFEB	
C#CCOc1c(I)cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc1I	214671732	PLRMQWILDUMAPU-XNTDXEJSSA-N	638.221	2.803	30	40	KFEB	
CCOc1c(OC)cccc1[C@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3cccc(OCC#N)c3)c(=O)n21	408963613	HPEUFBIZEKZNSH-QXHVWWCLSA-N	563.632	2.734	30	40	KFEB	
COC(=O)C1=C(N)N(c2ccc(S(N)(=O)=O)cc2)C2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OC)cc1	2188659	OCSPBCDSEDMPTF-NRFANRHFSA-N	511.600	2.933	30	40	KFEB	
C=CCc1cc(/C=N/N[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc(OC)c1OC	408943520	FVOORYHADQKJBV-PHGNHSODSA-N	568.627	2.953	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1cc(Br)c(OC)cc1OC	408954985	PWNYWZYVOGJWQB-STCKJLINSA-N	607.458	2.987	30	40	KFEB	
COC(=O)c1ccc([C@@H]2/C(=C(\O)c3cnn(-c4ccccc4)c3C)C(=O)C(=O)N2CCN2CCOCC2)cc1	102501158	PPJPHPIUJWVWLK-NPJIAGGLSA-N	530.581	2.721	30	40	KFEB	
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cc(OC)c(OC)c(OC)c2)c(O)c1	20309801	LEOQHLPRPXUVKZ-QFIPXVFZSA-N	500.548	2.957	30	40	KFEB	
CCOC(=O)COc1c(I)cc(C=Nn2c(O)nc3ccccc3c2=O)cc1OCC	409360277	ZQGDPQKUINOBKS-UHFFFAOYSA-N	537.310	2.930	30	40	KFEB	
C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)cc3OC)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1	1783528	UPMZLJDGBIHEGY-PNZYDNNZSA-N	536.606	2.999	30	40	KFEB	
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cc(OC)c(OC)c(OC)c2)c1C	8816737	NVZFOXLSEQILDJ-JOCHJYFZSA-N	529.590	2.974	30	40	KFEB	
C=C1[C@@H](OC(C)=O)[C@@H]2[C@H](OC(C)=O)[C@H](C)C[C@@]2(OC(C)=O)[C@@]2(O)O[C@H](C(=O)[C@@H]2C)C(C)(C)[C@@H](OC(C)=O)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(C)=O	1077997764	VKHCUWUNVKZFBM-QUBSFPBZSA-N	730.760	2.785	30	40	KFEB	biogenic
C=CCN1C(=O)/C(=c2\sc3n(c2=O)[C@@H](c2ccc(F)cc2)C(C(=O)OCC)=C(C)N=3)c2ccccc21	2341894	FGYRLBJUZJNBEN-VFJWVMJUSA-N	503.555	2.840	30	40	KFEB	
C#C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@@H](C(=O)N[C@@H](C(=O)O)[C@@H](C)O)C(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C	118919087	KADOLKXSZIQGGJ-SMNSFBELSA-N	585.742	2.777	30	40	KFEB	
CC(=O)O[C@H]1CO[C@H](n2c(N)c(C#N)c(-c3ccccc3)c(C#N)c2=S)[C@H](OC(C)=O)[C@@H]1OC(C)=O	5540574	MGXBCCDROORAHJ-NQAVQENRSA-N	510.528	2.534	30	40	KFEB	
CCOC(=O)[C@@H]1/C(=N/NS(=O)(=O)c2ccc(C)cc2)C[C@](C)(O)[C@H](C(=O)OCC)[C@@H]1c1ccccc1	15105870	XCHGLPYETUMHLR-JQCRZWANSA-N	516.616	2.926	30	40	KFEB	
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NCc1ccccn1	70692009	UPZGIFPOHKVUEQ-QBRHEHFTSA-N	552.668	2.824	30	40	KFEB	biogenic
CCOC(=O)[C@@H]1/C(=N/NS(=O)(=O)c2ccc(C)cc2)C[C@](C)(O)[C@@H](C(=O)OCC)[C@H]1c1ccc(N(C)C)cc1	100239196	LLYBBIGZKVTSAO-QAVOPGSBSA-N	559.685	2.992	30	40	KFEB	
O=C1NC(=O)c2cc(-c3ccc(/C=N\Nc4nncn4/N=C\c4ccc(-c5ccc6c(c5)C(=O)NC6=O)o4)o3)ccc21	100437977	TXGNFFOFXVNDSH-UWVGOQAPSA-N	560.486	2.894	30	40	KFEB	
C=CCn1c(Cl)c(/C=N\NC(=S)NC[C@H]2CCCO2)s/c1=N/S(=O)(=O)c1cccs1	136742909	BWGVGQARHAXYCQ-UOXKSEBGSA-N	506.100	2.717	30	40	KFEB	
CO[C@H]1C[C@H](O[C@@H]2CC[C@]3(C#N)[C@H]4CC[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@@]3(O)C2)O[C@H](C)[C@H]1O	257199029	PQYWNPQSYWMPGQ-NTJBSNISSA-N	545.673	2.758	30	40	KFEB	
C#CCOc1c(I)cc(/C=N/NC(=S)NCC)cc1I	409374099	YPYCJQFUKYXPGZ-CAOOACKPSA-N	513.142	2.726	30	40	KFEB	
C[C@H](C(=O)Oc1ccc([C@@H]2C3=C(Nc4c2c(=O)n(C)c(=O)n4C)c2ccccc2C3=O)cc1)N1C(=O)c2ccccc2C1=O	103748119	DSGYFQFOIMTABC-WAIKUNEKSA-N	588.576	2.839	30	40	KFEB	
C=CCN1C(=O)/C(=c2/sc3n(c2=O)[C@@H](c2cc(OC)ccc2OC)C(C(=O)OCC)=C(C)N=3)c2ccccc21	409388562	MLWAHVZRNNPHDP-NXLSWJSLSA-N	545.617	2.718	30	40	KFEB	
COc1cc(-c2ccc(NN=C3C=Cc4c(S(=O)(=O)O)cc(S(=O)(=O)O)c(N)c4C3=O)c(OC)c2)ccc1NN=C1C=Cc2c(S(=O)(=O)O)cc(S(=O)(=O)O)c(N)c2C1=O	575732343	BGULJNMSWJQIEK-UHFFFAOYSA-N	904.892	2.877	30	40	KFEB	
COc1cc(OC)c2c(c1Cl)O[C@]1(C(=O)/C(=C\N[C@H](CCS(C)(=O)=O)c3nc(-c4ccccn4)no3)C(=O)C[C@@H]1C)C2=O	1547203743	QXCGXFQFSDSUCG-NEEZDERUSA-N	631.063	2.944	30	40	KFEB	
CCC[C@@H]1O[C@H]2C[C@@H]3[C@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@H]4[C@@H](O)C[C@]3(C)[C@@]2(C(=O)COS(C)(=O)=O)O1	253501044	UNRWYSJKJKUNPJ-UUVFFERBSA-N	508.633	2.701	30	40	KFEB	
C#CCOc1c(I)cc(/C=C2/SC(=O)N([C@@H](C)C(=O)OC)C2=O)cc1OC	409112669	FXSISOIEYVADSY-RSYJBZMQSA-N	501.298	2.910	30	40	KFEB	
COc1ccc(-c2c(C(C)=O)c(-c3ccccc3)n([C@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)c(=S)c2C#N)cc1	5956228	QVTGJGCRDSYEJT-WFDCOESZSA-N	522.579	2.607	30	40	KFEB	
COC(=O)c1ccc([C@@H]2C(C(=O)c3c(C)[nH]c(C(=O)OC)c3C)=C(O)C(=O)N2CCCN2CCOCC2)cc1	97953147	QTXJXBQRHITFRA-HSZRJFAPSA-N	539.585	2.505	30	40	KFEB	
COc1ccc([C@@H]2C(C(=O)c3cccc(S(=O)(=O)N4CCCCC4)c3)=C(O)C(=O)N2CCN2CCOCC2)cc1	98047949	QXYXBVKWWXUIFP-AREMUKBSSA-N	569.680	2.780	30	40	KFEB	
CC(C)[C@@H](NS(=O)(=O)c1cccc2c1N=S=N2)C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1C#N	102933786	VZEZTIHYWABBAO-GOSISDBHSA-N	518.533	2.678	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C\c1cc([N+](=O)[O-])cc(Br)c1O	408949589	LQLXWNDAVACXHF-CYOJCWABSA-N	608.402	2.583	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1cccc(I)c1	408958960	XOWWCWYZCHURAV-JXTZEJCMSA-N	594.406	2.812	30	40	KFEB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OC)c3OCC#N)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409042767	XQLUJHXDRAWRDA-WWFXOLRUSA-N	621.668	2.660	30	40	KFEB	
CCN1C(=O)[C@]2(C(C(=O)c3ccc(S(=O)(=O)N4CCCCCC4)cc3)=C(O)C(=O)N2CCN(C)C)c2ccccc21	98046926	AZXSXKVRBWXXRZ-SSEXGKCCSA-N	580.707	2.912	30	40	KFEB	
CN(C)c1ccc(/C=N\NC(=S)NCCCN2CCN(CCCNC(=S)N/N=C\c3ccc(N(C)C)cc3)CC2)cc1	104064421	RCHWVVXJEGAMLH-DQWRGTGXSA-N	610.902	2.513	30	40	KFEB	
CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN2CCOCC2)cc1OC	15880039	JCZPHVMMSRJVSL-RUZDIDTESA-N	524.570	2.776	30	40	KFEB	
CCC[C@H]1O[C@H]2C[C@@H]3[C@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@H]4[C@@H](O)C[C@]3(C)[C@@]2(C(=O)COS(C)(=O)=O)O1	253501043	UNRWYSJKJKUNPJ-ISRLTAILSA-N	508.633	2.701	30	40	KFEB	
COC(=O)CN1C(=O)N/C(=C/c2cc(I)c(OCc3ccccc3C#N)c(OC)c2)C1=O	408547807	AAUAOSLWSICWCK-CAOOACKPSA-N	547.305	2.816	30	40	KFEB	
COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1C	9086327	ODMMETWAKFMBSP-DEOSSOPVSA-N	526.586	2.940	30	40	KFEB	
C=CCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N(CCOC)CCOC)cc2)sc2cccc(OC)c21	100909808	VJYPYJUMCTWQML-IZHYLOQSSA-N	519.645	2.922	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1ccc(SC)cc1	408959205	YSOZKPQYCXGRRZ-LUHBCCLNSA-N	514.604	2.929	30	40	KFEB	
CC[C@H](C)[C@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C)C(=O)O	70692134	YXDXMCGMVVZDHT-CQWUICHUSA-N	573.683	2.936	30	40	KFEB	biogenic
O=C(C1=C(O)C(=O)N([C@@H]2CCS(=O)(=O)C2)[C@@H]1c1ccc(Cl)cc1)c1ccc(S(=O)(=O)N2CCCC2)cc1	98048202	SZLRCAOLEKDEPJ-DENIHFKCSA-N	565.069	2.890	30	40	KFEB	
C=CCOc1ccc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)[C@@H]2C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1	102618842	RBZFHZPRCFJKRC-CNNODRBYSA-N	527.521	2.606	30	40	KFEB	
COc1ccc(OC)c([C@H]2/C(=C(\O)c3sc(C)nc3C)C(=O)C(=O)N2CCCN2CCOCC2)c1	102865275	DLRHUVIKHARJPU-MRJHHRETSA-N	501.605	2.921	30	40	KFEB	
C#C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)O)C(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C	118918961	KNRYIIYGPWGEQP-KUGRQNNUSA-N	612.768	2.662	30	40	KFEB	
CC(=O)O[C@H]1[C@H](C)O[C@@H](O[C@@H]2CC[C@]3(C=O)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@@]5(O)[C@@H]4CC[C@]3(O)C2)C[C@H]1OC(C)=O	118921713	PHSBHTPVOGIRQM-UXZIPXTFSA-N	618.720	2.921	30	40	KFEB	
C=CC(=O)N[C@H]1CCOC/C1=N/[C]1N=c2ccc(-c3c(Cl)c(OC)cc(OC)c3Cl)cc2=CN1	1560406064	IQESUWUBINEVIW-INIZCTEOSA-N	502.378	2.617	30	40	KFEB	
CCOC(=O)c1c(-c2ccc(OC)cc2)c(C#N)c(=S)n([C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c1-c1ccccc1	5956368	XRJYQXMYBFBTJQ-OEPYWHFISA-N	552.605	2.581	30	40	KFEB	
C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)Nc3ccc(S(=O)(=O)/N=C4\CCCCCN4)cc3)c2)C[C@H](C)O1	38152348	UKKNJOWJLXUIOS-OALUTQOASA-N	548.687	2.988	30	40	KFEB	
CC[C@@H](C)[C@@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)C(=O)O	70692345	MMWQEYZXQLVYHN-BNZKSWRBSA-N	575.699	2.728	30	40	KFEB	biogenic
C=CCOc1ccc(/C=C/C(=O)OCC(=O)NCCNC(=O)COC(=O)/C=C/c2ccc(OCC=C)cc2)cc1	97979250	WZEVPUMPDRCMIB-KAVGSWPWSA-N	548.592	2.862	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C\c1cc(Br)cc([N+](=O)[O-])c1O	408956992	RYSXJLSNALXMGO-CYOJCWABSA-N	608.402	2.583	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1c[nH]c2ccccc12	408958138	VIDICEFHDXQWSS-RLWCNIOGSA-N	507.547	2.688	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1cc(Cl)c(OCC#N)c(OC)c1	408958722	WMYVUWFGLAQWLE-ADODYWCFSA-N	588.017	2.771	30	40	KFEB	
CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@H](C)C[C@@H](C)C(=O)C=C[C@]1(C)O	585660668	UZQBOFAUUTZOQE-SZZOHAIPSA-N	525.683	2.513	30	40	KFEB	biogenic,in-vitro
C=CCn1c(CNC(=O)c2ccc(OC)c(OC)c2)nnc1SCC(=O)Nc1ccc(C(=O)OC)cc1	10041615	BVUOGXBLRXCPSN-UHFFFAOYSA-N	525.587	2.929	30	40	KFEB	
C#C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N\OCC(=O)N5C[C@@H](O)C[C@@H]5C(=O)OC)CC[C@]4(C)[C@H]3CC[C@@]21C	118918911	KWFXBLQFMPZAOR-ARFNVMRQSA-N	512.647	2.821	30	40	KFEB	
CCCCCCCCCCCCCCCCCCSCCO[C@@H]1O[C@H](CO)[C@H](O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O	150352193	XUKCZBPRMWBCAV-RBOHGFKESA-N	654.904	2.622	30	40	KFEB	
COc1ccc(-c2nnn(CCO)n2)cc1NC1=CC(=O)[C@@]2(Oc3c(Cl)c(OC)cc(OC)c3C2=O)[C@H](C)C1	604403910	DGISYBYCWNOISI-SRGMZFCMSA-N	555.975	2.930	30	40	KFEB	biogenic
COCCCN1C(=O)C(O)=C(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@H]1c1cccc(Cl)c1	38140086	JYUYUGRPCTZXOB-JOCHJYFZSA-N	535.018	2.976	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1cc(Cl)c(OC)c(OC)c1	408955005	PXHRHCHGFWMRJA-PCGMTTANSA-N	563.007	2.878	30	40	KFEB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC#N)c(OC)c3)c(=O)n2[C@@H]1c1cc(OC)c(OC)c(OC)c1	408986392	QEZQYCLHTVGYHT-VVNKCDPRSA-N	579.631	2.735	30	40	KFEB	
CCOC(=O)[C@H](C#N)[C@H](c1ccc2c(c1)OCO2)N1CCN([C@H](c2ccc3c(c2)OCO3)[C@H](C#N)C(=O)OCC)CC1	22584164	GHLPQSPCTMIIBF-OPQYHKBDSA-N	576.606	2.950	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1cc([N+](=O)[O-])ccc1Cl	408958056	UWRRYOPNSNHRRL-SJLPXIOISA-N	547.952	2.769	30	40	KFEB	
C=CCc1cc(/C=N/N[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc(OC)c1O	408957621	TZULHENDROUXGE-LAEJIHLVSA-N	554.600	2.650	30	40	KFEB	
O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1N=Cc1cc(I)c(O)c(I)c1	409402888	GMUGQGOEJVVFTK-WTTBSCSTSA-N	534.091	2.742	30	40	KFEB	
CC/C(C)=N\Oc1nc(NC(=O)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)nc(N(C)C)n1	8397742	CVGVAFSMQJKFJI-MWYAZZEHSA-N	520.450	2.540	30	40	KFEB	
C=CCn1c(=O)c2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2n(CC(=O)Nc2ccc(F)cc2F)c1=O	97999313	ZPNRZRCXXNGISE-UHFFFAOYSA-N	548.502	2.925	30	40	KFEB	
CCOc1cc(/C=N/NC(N)=S)cc(I)c1OS(=O)(=O)c1ccccc1	408887089	LYKHRCHASCGXBL-VXLYETTFSA-N	505.359	2.625	30	40	KFEB	
CCOC(=O)COc1c(/C=N\N[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc(I)cc1OC	408958790	WTFBSAZSVZKJJF-OFWLHAAJSA-N	726.521	2.762	30	40	KFEB	
C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)cc3)c(=O)n2[C@H]1c1ccc(OC(C)=O)cc1	1882466	DOHQNLYSYIRMOV-GJFKPFFXSA-N	532.574	2.815	30	40	KFEB	
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=C/C(=N\OCC(=O)NC[C@@H](CC(=O)O)c5ccccc5)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO	118936128	SUEVDGAUQVQWFG-KEOZXSOZSA-N	596.721	2.960	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1cc(OC)c(OC)cc1Br	408951416	NEZVGYUQIRHZNY-STCKJLINSA-N	607.458	2.987	30	40	KFEB	
COc1cc([C@H]2c3cc4c(cc3[C@@H](OC(=O)C[n+]3ccccc3)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OC	5731927	KXUOHLZMIKUHDO-HNDFRXHXSA-N	534.541	2.948	30	40	KFEB	
CO[C@@H]1C[C@H](O[C@@H]2CC[C@]3(/C=N/CCCO)[C@H]4CC[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)O[C@@H](C)[C@@H]1O	70708180	WTQHODYWVQKVNY-PHFHZPEPSA-N	605.769	2.688	30	40	KFEB	biogenic
COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1OC	100255243	SGLFZCAXJBMUKK-DEOSSOPVSA-N	542.585	2.640	30	40	KFEB	
COC(=O)CN1C(=O)N/C(=C/c2cc(OC)c(OCc3ccccc3C#N)cc2Br)C1=O	108221842	XHLJMOOZEYNDDU-REZTVBANSA-N	500.305	2.974	30	40	KFEB	
COc1ccc(Cl)cc1N1/C(=N\C(=O)CCNC(=O)OC(C)(C)C)S[C@H]2CS(=O)(=O)C[C@H]21	32634529	IDVBPYJSFCEMOB-ODRGZRGXSA-N	504.030	2.865	30	40	KFEB	
C=CCOc1ccc([C@H]2/C(=C(\O)c3ccc(S(=O)(=O)N(C)C)cc3)C(=O)C(=O)N2CCCOC)cc1	102889943	VJMDGDBGZJJTED-AYWGPLOBSA-N	514.600	2.960	30	40	KFEB	
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccccc2OC)c1C	8897347	UQYXSUBDPMQHQP-HSZRJFAPSA-N	511.575	2.727	30	40	KFEB	
CCOc1cc(Br)c(N2/C(=N\C(=O)CC#N)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1OCC	101311227	XJIXEAODQIKGOG-CWKTXGTLSA-N	502.412	2.762	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1cc(OC)c(OC)cc1Br	408951402	NEZVGYUQIRHZNY-DXMAAPQNSA-N	607.458	2.987	30	40	KFEB	
COC1=C2C[C@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@H](OC(=N)O)[C@H](OC)/C=C/C=C(\C)C(=O)NC(=CC1=O)C2=O	584566832	QTQAWLPCGQOSGP-TXHHGVNUSA-N	560.644	2.822	30	40	KFEB	
C[C@@H](C(=O)Oc1ccc([C@@H]2C3=C(Nc4[nH]c(=O)n(C)c(=O)c42)c2ccccc2C3=O)cc1)N1C(=O)c2ccccc2C1=O	1107371	NAYPOEAYVHOLME-OYHNWAKOSA-N	574.549	2.829	30	40	KFEB	
CC(=O)OC[C@@H]1O[C@@H](n2c(-c3ccccc3)cc(-c3ccco3)c(C#N)c2=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	5808675	XURBLYBQYWNXSZ-LOLMJFKOSA-N	592.557	2.903	30	40	KFEB	
CCOC(=O)COc1c(Br)cc(/C=N\N[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1[N+](=O)[O-]	408954333	PKROGVICCRQBNA-MDKKWACSSA-N	694.492	2.820	30	40	KFEB	
O=C1C(=O)N(CCCN2CCOCC2)[C@@H](c2ccc([N+](=O)[O-])cc2)/C1=C(\O)c1ccc2c(c1)OCCO2	8915056	AFNOCHBMPKNGKJ-AYWGPLOBSA-N	509.515	2.510	30	40	KFEB	
CC(C)(C)OC(=O)NCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1cccc(Br)c1	32634591	ITSLHUVABOHINT-GTBJWYNWSA-N	504.428	2.575	30	40	KFEB	
C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NCc1ccco1	118920340	KUOIOLIROJEQAC-BONFRUADSA-N	539.625	2.798	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1cc(OC)c(OCC#N)cc1Br	408950155	MDBVDLTYSGEBNN-AUPNAIJXSA-N	632.468	2.881	30	40	KFEB	
CCN1CCN(C2=C(NS(=O)(=O)c3ccc(Br)cc3)C(=O)c3ccccc3C2=O)CC1	19891189	AWRKOVBQJOYUJX-UHFFFAOYSA-N	504.406	2.656	30	40	KFEB	
COC(=O)[C@H]1C[C@@H](O)CN1C(=O)CCC(=O)OCC(=O)[C@@]1(OC(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C	70697097	WSRHHQCMLAXXNM-YOLDSWPWSA-N	615.720	2.848	30	40	KFEB	biogenic
COc1ccc(O)c(/C=N\N=C(N/N=C\c2cc(OC)ccc2O)N/N=C\c2cc(OC)ccc2O)c1	100930579	NEWALAHUBXETOF-BBROENKCSA-N	506.519	2.767	30	40	KFEB	
COCCN1C(=O)C(=O)/C(=C(/O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@@H]1c1ccc(C(C)C)cc1	102871447	AEXRJOTZZUKOAD-NXLSWJSLSA-N	528.627	2.899	30	40	KFEB	
COc1cc(/C=c2\s/c(=C(/C#N)C(=O)N3CCCC3)n(-c3ccc(C)cc3)c2=O)ccc1OC(F)F	97993612	VROTZFQCMBZLRK-XJVUNPDISA-N	511.550	2.943	30	40	KFEB	
C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC)cc2OC)C(C(=O)OCC)=C(C)N=3)cc1	408927816	RNAZNYSTNKWMQS-GJFKPFFXSA-N	518.591	2.828	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C\c1cc(Br)cc(OC)c1OC	408948656	KWKBUKCFRXNNAP-HNCLAJARSA-N	607.458	2.987	30	40	KFEB	
O=C1Nc2ccccc2/C1=N/Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(c2ccccc2)CC1	59489827	XZRYALJOBAGNEK-UHFFFAOYSA-N	506.544	2.874	30	40	KFEB	
CCN(CC)S(=O)(=O)c1ccc(/C(O)=C2\C(=O)C(=O)N(CCCOC)[C@H]2c2ccc(O)cc2)cc1	102557472	GHXVADICSBHRLC-MOBKVPTQSA-N	502.589	2.881	30	40	KFEB	
CCOc1ccc([C@@H]2/C(=C(\O)c3ccc(S(=O)(=O)N(C)C)cc3)C(=O)C(=O)N2CCCN(C)C)cc1OC	102696064	DLLYELYWQAWMDP-SBXHHDGASA-N	545.658	2.718	30	40	KFEB	
COc1ccc(/C(O)=C2\C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1OC	102874695	KWRMWEKOIICDBH-AYWGPLOBSA-N	511.531	2.756	30	40	KFEB	
CCC[C@H]1O[C@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@H](O)C[C@]3(C)[C@]2(C(=O)COS(C)(=O)=O)O1	118917421	UNRWYSJKJKUNPJ-JMJYVZSNSA-N	508.633	2.701	30	40	KFEB	
CC(=O)OC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)C(/C=N/Nc1ccccc1)=N\Nc1ccccc1	104253480	MLNCNATWGIZADS-IPPCCTMASA-N	598.609	2.842	30	40	KFEB	
Cc1ccc(S(=O)(=O)OC[C@@H](O)COc2ccc(OC[C@@H](O)COS(=O)(=O)c3ccc(C)cc3)cc2)cc1	104828671	HZMDDMZDCNZESH-SZPZYZBQSA-N	566.650	2.594	30	40	KFEB	
C#C[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=NOCC(=O)N[C@@H](CCC(N)=O)C(=O)O)CC[C@]4(C)[C@H]3CC[C@@]21C	253533773	RKAXLDHTTPHZOB-NQDAINLHSA-N	513.635	2.521	30	40	KFEB	biogenic
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C\c1cc(Br)c(OC)c(OC)c1	408941208	CNCQCFLLODNOFO-BNFQWOKNSA-N	607.458	2.987	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1cc(I)c(OC)c(OC)c1	408959031	YAWJXEWJJJHKFK-PCGMTTANSA-N	654.458	2.829	30	40	KFEB	
C#CCOc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2cccc(OC)c2OCC)C(C(=O)OCCOC)=C(C)N=3)cc1	408971819	QOOBLTBDBGJSLW-INZJWMLVSA-N	562.644	2.844	30	40	KFEB	
COc1cccc2c1C(=O)[C@H]1[C@H](C2=O)[C@@H](O)[C@H]2C[C@@](O)(/C(C)=N/N=C/C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C[C@@H](O[C@H]3C[C@H](N)[C@H](O)[C@H](C)O3)[C@H]2[C@H]1O	257198962	NMRQTRXDJXMXSO-INXBRFHMSA-N	777.634	2.923	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1cc(Br)c(O)c([N+](=O)[O-])c1	408943422	FQJTYKLINISDNP-WPABUHHYSA-N	608.402	2.583	30	40	KFEB	
CCOC(=O)c1ccc(NC(=O)COc2c(I)cc(/C=N/NC(N)=S)cc2OC)cc1	2754241	BYOMQJGKDYSEEG-AUEPDCJTSA-N	556.382	2.661	30	40	KFEB	
C=CCOc1cccc([C@H]2/C(=C(\O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN2CCOCC2)c1	9244034	FDCXLLONSVAFCP-IUKMQXEJSA-N	506.555	2.777	30	40	KFEB	
C=CCN1C(=O)N/C(=C\c2cc(I)c(OC)c(I)c2)C1=O	14009403	GICKMHFLIUGBRX-XFFZJAGNSA-N	510.069	2.983	30	40	KFEB	
CC(=O)O[C@@H]1C(=O)[C@]2(C)[C@@H](CC[C@@]3(C)[C@H](c4ccoc4)OC(=O)[C@H]4O[C@]432)[C@@]23COC(=O)C[C@@H]2OC(C)(C)[C@H]13	67902623	IHOHGVDNDQTZGL-DQFBPVNGSA-N	528.554	2.679	30	40	KFEB	biogenic,in-vitro
COC(=O)/C=C/[C@]12COC(C)(C)[C@H]1[C@H](O)[C@H](OC(C)=O)[C@]1(C)[C@@H]2CC[C@@]2(C)[C@@H](c3ccoc3)OC(=O)[C@@H]3O[C@@]321	72320473	XWOZTQQJYJMHSX-DBMSLYASSA-N	544.597	2.885	30	40	KFEB	biogenic,in-vitro
CO[C@@H]1C=CO[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C(=O)C(CO)=C(NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@@H]1C)C4=O	263597783	HDZZOQGHCQOHLC-QOUNLNLTSA-N	725.788	2.993	30	40	KFEB	
COc1cc(/C=N/N2C(=O)[C@@H](CC(=O)O)S/C2=N\c2c(C)n(C)n(-c3ccccc3)c2=O)ccc1O	13658853	DHVJKVYZGUXKPG-WUMCZRAHSA-N	509.544	2.639	30	40	KFEB	
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@]23C(=O)N(C)c2ccccc23)cc1C	24192891	FYOWFJUVRARYSY-SSEXGKCCSA-N	531.609	2.991	30	40	KFEB	
Cn1c(=O)[nH]c(=O)c2c1nc(N/N=C/C=C/c1ccc([N+](=O)[O-])o1)n2C[C@H](O)COc1ccc(Cl)cc1Cl	3062374	SCKCFARYSOBWBL-XFYMDACLSA-N	564.342	2.782	30	40	KFEB	
COc1cc(OC)c2c(c1Cl)O[C@@]1(C(=O)C3=C(C[C@H]1C)Nc1c(c(=O)n(C)c(=O)n1C)[C@@H]3c1cc(OC)c3c(c1)OCO3)C2=O	604404588	FDJGBISLLSGWIE-SEOBPYHUSA-N	638.029	2.926	30	40	KFEB	biogenic
CCOc1cc(/C=N\Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)ccc1OCc1ccc([N+](=O)[O-])cc1	103429349	VGGDWRIAWXXQAS-VEILYXNESA-N	564.603	2.877	30	40	KFEB	
CCCOc1ccc(/C(O)=C2\C(=O)C(=O)N(CCCN3CCOCC3)[C@]23C(=O)N(C)c2ccccc23)cc1	9328646	VXXWNMHHBQTPPC-YCRBRLKKSA-N	519.598	2.750	30	40	KFEB	
C=CCN1C(=O)[C@]2(C(C(=O)OCCCC)=C(N)OC(CC(=O)OCC)=C2C(=O)OCC)c2ccccc21	9695169	QQJVVTWNQSECOY-HHHXNRCGSA-N	512.559	2.771	30	40	KFEB	
CCN(CC)CCN1C(=O)C(=O)/C(=C(/O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@H]1c1ccc(C)cc1	102717869	IUDOBAPZKKBPMT-NPJIAGGLSA-N	541.670	2.779	30	40	KFEB	
FC(F)(F)C(F)(F)C(F)(F)c1nnnn1CC1(Cn2nnnc2C(F)(F)C(F)(F)C(F)(F)F)COC1	104195930	SVKNCCOHJMAGIM-UHFFFAOYSA-N	558.234	2.955	30	40	KFEB	
Cc1ccc(S(=O)(=O)N/N=C(/c2nc3ccc([N+](=O)[O-])cc3nc2O)[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1	104291354	CTUJTVKFFGNKOR-YHECHFPNSA-N	538.498	2.876	30	40	KFEB	
COc1cc(C(=O)Oc2c(C=NN3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cccc2[N+](=O)[O-])cc(OC)c1OC	409410232	UDUGXYKBAVSBMX-MFRYECHYSA-N	521.482	2.981	30	40	KFEB	
O=C(NS(=O)(=O)c1ccc(OC(F)(F)F)cc1)N1CCN(c2c(F)c(F)nc(F)c2F)CC1	3770994	FWDQGHJNJNBSDB-UHFFFAOYSA-N	502.368	2.757	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1ccc(OCC#N)c(Br)c1	408958297	VMFFYRQEADRSQL-JPWUEOFHSA-N	602.442	2.872	30	40	KFEB	
COc1cc([C@H](CC(=O)NCc2nc(N)n[nH]2)C2=C(O)[C@]3(Oc4c(Cl)c(OC)cc(OC)c4C3=O)[C@@H](C)CC2=O)ccc1O	1547208793	OWAQPGUAJTXSDL-OYKZEXQMSA-N	628.038	2.997	30	40	KFEB	biogenic
CCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(C)c2N2CCN(C(=O)OCC)CC2)SC1=S	2257115	FSOPPOGYJSGDOO-AQTBWJFISA-N	503.650	2.845	30	40	KFEB	
CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCC(=O)N2CCOCC2)c([N+](=O)[O-])c1	409294918	CIYMJLMDVWEWJF-UHFFFAOYSA-N	544.362	2.749	30	40	KFEB	
CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@@H]2O)[C@@H](CC=O)C[C@@H](C)C(=O)C=C[C@]2(C)O[C@H]2[C@@H]1C	1534514533	IUPCWCLVECYZRV-GLPOSSJISA-N	581.747	2.670	30	40	KFEB	biogenic
O=C(C[S@@](=O)c1ccc(SC(F)(F)C(F)(F)C(F)(F)F)cc1[N+](=O)[O-])N[C@@H]1CCS(=O)(=O)C1	3315487	LKUDWCXIBFHHEG-JWAPLOJLSA-N	546.464	2.888	30	40	KFEB	
O=C(Oc1ccc(/C=N/Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1)c1cccc(I)c1	8434805	JWMUEPIAPBPOMF-WPWMEQJKSA-N	615.432	2.815	30	40	KFEB	
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cc(OC)c(OC)c(OC)c2)c1C	9273759	ZLHFLCMFHFHARE-JOCHJYFZSA-N	529.590	2.974	30	40	KFEB	
COc1cc(/C=N/Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)ccc1OCC(=O)N1CCOCC1	33358622	NHGOOCHDIYWRAQ-TURZUDJPSA-N	538.653	2.544	30	40	KFEB	
COc1cccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)c1	34935031	IWYGHNJCHLBWAG-HSZRJFAPSA-N	512.559	2.632	30	40	KFEB	
CCC[C@@H]1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@H](O)C[C@]3(C)[C@]2(C(=O)COS(C)(=O)=O)O1	118917418	UNRWYSJKJKUNPJ-ADZXJHOZSA-N	508.633	2.701	30	40	KFEB	
CCOc1cc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc(I)c1O[C@@H](C)C(=O)O	409408819	ZMSBWZDADDTGCP-KMNSEVKQSA-N	524.311	2.683	30	40	KFEB	
COc1ccc([C@@H]2C(C(=O)c3c(C)nc4c(C)cccn34)=C(O)C(=O)N2CCN2CCOCC2)cc1OC	8904335	MFRHUFSRGRYSIX-XMMPIXPASA-N	520.586	2.879	30	40	KFEB	
COc1c(/C=N/Nc2nc(Nc3ccc([N+](=O)[O-])cc3)nc(N3CCN(C)CC3)n2)cccc1[N+](=O)[O-]	14921271	STZJNLISKVMHRU-OEAKJJBVSA-N	508.499	2.638	30	40	KFEB	
CCOC(=O)C/C(=N\Nc1cc(N/N=C(\CC(=O)OCC)OCC)c([N+](=O)[O-])cc1[N+](=O)[O-])OCC	16681938	IFYQEOWAKKMDAQ-GJHDBBOXSA-N	512.476	2.933	30	40	KFEB	
CCCC(=O)O[C@H]1[C@H](C)O[C@@H](O[C@@H]2[C@@H](C)O[C@@H](O[C@@H]3[C@@H](OC)[C@H](OC(C)=O)CC(=O)O[C@H](C)CC=CC=C[C@H](O)[C@H](C)C[C@@H]3CC=O)[C@H](O)[C@H]2N(C)C)C[C@@]1(C)O	936069924	XVTMRUKLMXPAKO-JXTZZHKKSA-N	813.979	2.767	30	40	KFEB	biogenic,in-vitro
COc1ccc(OC)c([C@@H]2C(C(=O)c3c(C)nc4c(C)cccn34)=C(O)C(=O)N2CCN2CCOCC2)c1	8827194	DOPXUAFWZFMPRH-XMMPIXPASA-N	520.586	2.879	30	40	KFEB	
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@]23C(=O)N(CC)c2ccccc23)cc1C	24193144	TVRJPXSTPLRUIF-PMERELPUSA-N	531.609	2.991	30	40	KFEB	
C=C1C(=O)[C@]23[C@@H]([C@@H](OC(C)=O)C[C@@H]1[C@H]2OC(C)=O)[C@@]12CCC[C@@](C)(CO[C@@H]1OC)[C@H]2C[C@H]3OC(C)=O	100359412	NBQICXNAIRPEHX-JRARKATNSA-N	504.576	2.742	30	40	KFEB	
COC(=O)[C@H](C)Oc1c(I)cc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1I	409403279	HQIUNRALYGYWIT-UKXMPADASA-N	620.181	2.977	30	40	KFEB	
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NCc1cccnc1	70692362	OSYJQPDGJSDHNJ-QBRHEHFTSA-N	552.668	2.824	30	40	KFEB	biogenic
CC(=O)O[C@H]1[C@H](CO[C@@H]2O[C@@H](C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]2OC(C)=O)O[C@@H](O[C@@H]2CC[C@]3(C=O)[C@@H]4CC[C@]5(C)[C@H](c6ccoc(=O)c6)CC[C@]5(O)[C@H]4CC[C@@]3(O)C2)[C@H](OC(C)=O)[C@H]1OC(C)=O	257347137	VEYKKASUDGUTGW-DMDJGHDVSA-N	977.019	2.637	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C\c1cc(Br)c(OCC#N)c([N+](=O)[O-])c1	408958116	VHKLPHHPMXVSHX-MRNXNEAZSA-N	647.439	2.780	30	40	KFEB	
COc1cc(OC)c2c(c1Cl)O[C@@]1(C(=O)C3=C(C[C@H]1C)NC(=O)C[C@H]3c1cccc(OCC(N)=O)c1)C2=O	524731270	QYAPOJCTPNSDKZ-MZTWVUCYSA-N	540.956	2.702	30	40	KFEB	biogenic
COC(=O)[C@H](Cc1ccc(O)c([N+](=O)[O-])c1)NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@@]21C	150402883	JYOBYKXWDWDTOD-FWMMNRQESA-N	684.739	2.627	30	40	KFEB	
C=CCn1c(SCC(=O)Nc2cccc(C(=O)OCC)c2)nnc1[C@@H](CO)NC(=O)c1ccc(OC)cc1	408594982	DWSUCKRYNIOVLK-OAQYLSRUSA-N	539.614	2.844	30	40	KFEB	
COc1c(OC(C)=O)ccc(/C=N/Nc2nc(=Nc3cc(C)ccc3C)nc(N3CCOCC3)[nH]2)c1[N+](=O)[O-]	408718523	VEGJJKIETURGAA-VULFUBBASA-N	536.549	2.779	30	40	KFEB	
N#C/C(C(=O)N1CCOCC1)=c1\s/c(=C\c2ccc(OC(F)F)cc2)c(=O)n1-c1ccccc1C(F)(F)F	97981865	AACQDMAXZNICPN-MPIAYHDCSA-N	551.493	2.881	30	40	KFEB	
COc1ccc([C@H]2/C(=C(\O)c3c(C)nc4ccccn34)C(=O)C(=O)N2CCCN2CCOCC2)cc1OC	102539871	WQRUZVJLBRWEDL-QKJBWNOYSA-N	520.586	2.804	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1cc([N+](=O)[O-])ccc1N(CC)CC	408938463	ALKWCLVLIRVVOW-IGSAFADJSA-N	584.630	2.962	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1cc(Br)c(OC)cc1OC	408954981	PWNYWZYVOGJWQB-FBPNJDHYSA-N	607.458	2.987	30	40	KFEB	
CCOCCCn1/c(=N\C(=O)c2cc(OC)c(OC)c(OC)c2)c(C#N)cc2c(=O)n3ccccc3nc21	102920624	PKRKCCOAEDFFGT-KRUMMXJUSA-N	517.542	2.714	30	40	KFEB	
CSCC[C@H](NC(=O)[C@@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@@]21C)C(C)C)C(=O)O	217345868	NFFAFKACCGSCKL-XAXSKERQSA-N	692.872	2.576	30	40	KFEB	
CO[C@@H]1[C@H](O)[C@H](C)O[C@H](O[C@H]2CC[C@@]3(C=O)[C@@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@@H](c5ccc(=O)oc5)CC[C@]43O)C2)[C@@H]1O	253498727	NYOVJCZRJINYSI-SAJSVZOHSA-N	560.684	2.927	30	40	KFEB	biogenic
C=CCN1C(=O)/C(=c2/sc3n(c2=O)[C@@H](c2ccc(OC)cc2OC)C(C(=O)OCC)=C(C)N=3)c2ccccc21	409389342	PSRSDTZRKFTHOQ-NXLSWJSLSA-N	545.617	2.718	30	40	KFEB	
COc1ccc(S(=O)(=O)N[C@@H](CCSC)C(=O)OCC(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCCCN3)c2)cc1	97979584	KAAJUVAFGQWFQH-QHCPKHFHSA-N	626.779	2.528	30	40	KFEB	
CC(=O)OC[C@@H]1O[C@@H](n2c3c(cc(C#N)c2=S)CCCCC3)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	5537064	HXMIHEPUGIHUHJ-VHJOFQCFSA-N	534.587	2.614	30	40	KFEB	
CO[C@@]1(C)O[C@@H](COS(=O)(=O)c2ccc(C)cc2)[C@@H](COS(=O)(=O)c2ccc(C)cc2)O[C@@]1(C)OC	97952930	CIZLVXBAALAMNQ-WAPCQROESA-N	544.644	2.923	30	40	KFEB	
CCOc1ccccc1NC(=O)C[C@H]1S/C(=N\c2cccc(S(=O)(=O)N3CCOCC3)c2)N(C)C1=O	102929245	CKMXMIMUVIXAIC-AGHKFTSRSA-N	532.644	2.696	30	40	KFEB	
CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(OCC#N)c(OC)c4)c(=O)n32)cc1OCC	408933095	HKVWZMOLJGUHSU-KXERKJKRSA-N	549.605	2.726	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1cc(Cl)c(OC)c(OC)c1	408955003	PXHRHCHGFWMRJA-LZUCMQGPSA-N	563.007	2.878	30	40	KFEB	
C#CCOc1cc(Br)c(/C=N/N[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OC	408946828	IQILGKFZADSHPF-IRFUYVAMSA-N	631.480	2.990	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1cc([N+](=O)[O-])ccc1Cl	408958052	UWRRYOPNSNHRRL-FJLGLVMOSA-N	547.952	2.769	30	40	KFEB	
CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@H](C)C[C@@H](C)C(=O)C=C[C@]1(C)O	585660667	UZQBOFAUUTZOQE-IIJUXZPJSA-N	525.683	2.513	30	40	KFEB	biogenic,in-vitro
C=CCn1c(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)nnc1-c1cc(Br)ccc1O	408544784	XSVHFCIVHWTXHU-UHFFFAOYSA-N	524.422	2.977	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1cccc(Cl)c1	408944990	HCSSJJTWBSGGHM-JXTZEJCMSA-N	502.955	2.861	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C\c1cc(I)cc(OC)c1OC	408956711	RRFGCOBXUJILRC-IRPDQSHZSA-N	654.458	2.829	30	40	KFEB	
C#CCOc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2cccc(OC)c2OCC)C(C(=O)OCCOC)=C(C)N=3)cc1OC	408970590	IVVVEMRVKYREPZ-XKGHIZKOSA-N	592.670	2.853	30	40	KFEB	
O=C(C[S@](=O)c1ccc(SC(F)(F)C(F)(F)C(F)(F)F)cc1[N+](=O)[O-])N[C@@H]1CCS(=O)(=O)C1	4498150	LKUDWCXIBFHHEG-RIEPYHHBSA-N	546.464	2.888	30	40	KFEB	
COc1cc(/C=N/Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)ccc1OC(=O)c1ccccc1I	8386615	MTSVRQFRTFSBGT-OGLMXYFKSA-N	645.458	2.823	30	40	KFEB	
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(Cl)cc2)c1C	8897364	QJPQJZKBSOGSKA-OAQYLSRUSA-N	501.967	2.982	30	40	KFEB	
Cc1nc2c(C)cccn2c1C(=O)C1=C(O)C(=O)N(CCN2CCOCC2)[C@H]1c1cccc([N+](=O)[O-])c1	9174128	XATVHIAEULIHOK-QFIPXVFZSA-N	505.531	2.770	30	40	KFEB	
CCCCN1C(=O)[C@@]2(C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN2CCOCC2)c2ccccc21	98046829	ZHICSFUQXRYXDB-PMERELPUSA-N	547.608	2.669	30	40	KFEB	
CC(=O)O[C@H]1[C@@H](C)C2=CC(=O)C3=C(O[C@@]4(C)CC[C@H]5O[C@@H](C(C)(C)O)C[C@@H](OC(C)=O)[C@]5(C)[C@@H]4[C@H]3O)[C@@]23O[C@@H](C)[C@@]13C	252515683	MPCIDUFOTGXABA-BROOLXCCSA-N	588.694	2.921	30	40	KFEB	biogenic,in-vitro
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccc(OC)c2)c1C	8895919	UDUKXIBIYZJSTC-HSZRJFAPSA-N	511.575	2.727	30	40	KFEB	
CCOC(=O)COc1c(I)cc(/C=N/N[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OC	408958927	XJNSOULKUDBYLD-HKTILGSXSA-N	726.521	2.762	30	40	KFEB	
C=C1[C@@H](C)[C@H]2[C@@H](Cc3ccccc3)NC(=O)[C@]23[C@H](OC(C)=O)/C=C\[C@@](C)(O)C(=O)[C@@H](C)C/C=C\[C@H]3[C@H]1O	76945172	SDZRWUKZFQQKKV-QCEDOVNGSA-N	507.627	2.917	30	40	KFEB	in-vitro
C=CCN(CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)S(=O)(=O)c1ccccc1C(F)(F)F	103063137	NZJURQAZXJLKCZ-UHFFFAOYSA-N	547.577	2.542	30	40	KFEB	
CC(C)(CC(=O)O)CC(=O)OCC(=O)[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C	118929964	RLELKNVPYJNKPC-XCYIWTPUSA-N	502.604	3.000	30	40	KFEB	
COc1cc([C@H]2/C(=C(\O)c3c(C)nc4c(C)cccn34)C(=O)C(=O)N2CCN2CCOCC2)cc(OC)c1OC	102502786	PMYPYKLEOZBFEH-UVDRRRQGSA-N	550.612	2.731	30	40	KFEB	
O=C(C[C@@H]1S/C(=N\c2ccc(S(=O)(=O)N3CCOCC3)cc2)N(C[C@@H]2CCCO2)C1=O)Nc1ccccc1	97982126	XAZJTXALIDBVNA-QVWSDTHPSA-N	558.682	2.847	30	40	KFEB	
CCOc1cc(/C=N/N[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)ccc1OC	408940663	CFXPUVGJHHVMQT-DDFSSGQVSA-N	542.589	2.614	30	40	KFEB	
CCOC(=O)COc1c(I)cc(/C=N/N[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OC	408958924	XJNSOULKUDBYLD-ANXAOISFSA-N	726.521	2.762	30	40	KFEB	
COc1cc([C@@H]2C3=C(Nc4[nH]c(=O)[nH]c(=O)c42)c2ccccc2C3=O)cc(Br)c1OC(C)=O	18201150	JFNIGEPJRJEDKV-OAHLLOKOSA-N	510.300	2.925	30	40	KFEB	
C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cccc(C(=O)OCC(=O)N[C@H]2CCS(=O)(=O)C2)c1	103102718	ZARZJHKPCWZPLC-SFHVURJKSA-N	560.572	2.547	30	40	KFEB	
O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1/N=C/c1cc(I)cc(I)c1O	408725069	IRYWWIXGKHFFGB-AIRXUICTSA-N	534.091	2.742	30	40	KFEB	
CCOC(=O)COc1ccc(Br)cc1/C=N\N[C@H](O)COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OCC	408959131	YLBHVGBQOWYFQR-HPJJTQMGSA-N	649.495	2.912	30	40	KFEB	
C/C=C(\C)C(=O)O[C@H]1[C@H](C)[C@]2(O)[C@@H](C=C(CO)C[C@@]3(O)C(=O)C(C)=C[C@@H]32)[C@H]2C(C)(C)[C@]12OC(=O)C(C)C	100070135	MVWXLRYZCZSBKW-XBVVRKFNSA-N	516.631	2.654	30	40	KFEB	biogenic,in-vitro
C#C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N\OCC(=O)N[C@@H](CCC(N)=O)C(=O)O)CC[C@]4(C)[C@H]3CC[C@@]21C	118917683	RKAXLDHTTPHZOB-PROIYERTSA-N	513.635	2.521	30	40	KFEB	
C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NCc1cccc2c1OCO2	118918988	BLVQLEYJEAAYBR-XGJURFFASA-N	593.673	2.934	30	40	KFEB	
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=C/C(=N/OCC(=O)N[C@H](Cc5c[nH]c6ccccc56)C(=O)O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO	118919014	KLXRCIONDXDWCO-YJEBMSQTSA-N	621.731	2.879	30	40	KFEB	
CCC(=O)O[C@H]1CC(=O)O[C@@H](C)C/C=C/C=C/[C@@H](O)[C@@H](C)C[C@@H](CC=O)[C@@H](O[C@H]2O[C@H](C)[C@H](O[C@H]3C[C@](C)(O)[C@H](OC(=O)CC)[C@H](C)O3)[C@@H](N(C)C)[C@H]2O)[C@@H]1OC	584577484	DMUAPQTXSSNEDD-POJBDOLXSA-N	813.979	2.767	30	40	KFEB	
COc1cc(Br)cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)c1OCC(N)=O	409292962	WAUWXIYWXPHSEO-UHFFFAOYSA-N	524.169	2.985	30	40	KFEB	
CC(=O)OC[C@@H]1O[C@H](OC2=C(CC=C(C)C)C(=O)c3ccccc3C2=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	5430621	FMNSNVSJQBSOAM-UKWJTHFESA-N	572.563	2.776	30	40	KFEB	
COc1ccc(OC)c(N2/C(=N\C(=O)Cc3ccc(OC)c(OC)c3)S[C@H]3CS(=O)(=O)C[C@H]32)c1	101304683	MFEVAZAYWCRNSA-LQYVUYEFSA-N	506.602	2.565	30	40	KFEB	
CC(C)(C)OC(=O)NCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(I)c1	101317908	WPFUNCZJGUDDGQ-NUQINZOXSA-N	565.455	2.807	30	40	KFEB	
C#C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N\OCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@@H]5C(=O)O)C(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C	118918992	CISVREYUELBLRR-OTQNZZBQSA-N	597.753	2.873	30	40	KFEB	
C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N[C@@H](C(=O)O)[C@H](O)c1ccccc1	118919100	ATBUFJDZMRCVPQ-HSWSLWABSA-N	623.699	2.624	30	40	KFEB	
C=CCSc1nnc(NC(=O)CN(c2ccc(I)cc2)S(C)(=O)=O)s1	225878686	AYORHZGIWIKLFV-UHFFFAOYSA-N	510.404	2.826	30	40	KFEB	
Cc1ccc(S(=O)(=O)N/N=C(\C(=O)Nc2cccc([N+](=O)[O-])c2)c2nc3ccc([N+](=O)[O-])cc3nc2O)cc1	5723573	LHGNMEIQHNGABT-MEFGMAGPSA-N	551.497	2.782	30	40	KFEB	
O=[N+]([O-])c1ccc(Oc2ccccc2/C=N/Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)c([N+](=O)[O-])c1	105669367	STPHBJYHHSEXHF-PCLIKHOPSA-N	551.520	2.600	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1ccc(OC)c(C)c1	408955540	QPAYQROOHAVEBY-ZOLLBZJMSA-N	512.563	2.524	30	40	KFEB	
CCOC(=O)COc1c(Cl)cc(/C=N/N[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OC	408958294	VLUNQVFALXWPKA-CAVNYTLZSA-N	635.070	2.811	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1ccc(OCC#N)c(I)c1	408958554	WGFUFTVZTOADGC-ZSQGPWTJSA-N	649.442	2.714	30	40	KFEB	
CCOC(=O)[C@H](C)Oc1c(Br)cc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1[N+](=O)[O-]	409404636	FATMCSQYDVIFPV-KMNSEVKQSA-N	506.309	2.829	30	40	KFEB	
C[C@H](C(=O)Oc1ccc([C@H]2C3=C(Nc4c2c(=O)n(C)c(=O)n4C)c2ccccc2C3=O)cc1)N1C(=O)c2ccccc2C1=O	103748112	DSGYFQFOIMTABC-MWTRTKDXSA-N	588.576	2.839	30	40	KFEB	
CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cccc(OCC#N)c4)c(=O)n32)cc1OCC	408945951	OIPYDDXCBOZXSD-PQBKBUHISA-N	519.579	2.718	30	40	KFEB	
COc1cc(OC)c2c(c1Cl)O[C@@]1(C(=O)C=C(Nc3ccc(S(N)(=O)=O)cc3O)C[C@H]1C)C2=O	604404941	MKHHXRNUOLLKEU-STFLBKPXSA-N	508.936	2.629	30	40	KFEB	biogenic
CC(C)OC(=O)CCc1nnc(S)n(/N=C/c2cc(Br)cc(Br)c2O)c1=O	101095215	VQZJBAFILOAXCZ-FBCYGCLPSA-N	520.203	2.924	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C\c1cc(Br)ccc1OC	408952363	OANURRKTZFDMTD-LHAPWRFNSA-N	577.432	2.978	30	40	KFEB	
CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc(OC)c1OCC(=O)N1CCOCC1	409286693	ZKQKRWZVBXURCO-UHFFFAOYSA-N	529.391	2.850	30	40	KFEB	
CC[C@@H](C)[C@@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)C(=O)O	118917721	GUZLDXZWVDPPFB-BNZKSWRBSA-N	573.683	2.504	30	40	KFEB	
C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=C/C(=N\OCC(=O)NCc5ccc(C(=O)O)cc5)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO	118932244	QMBVEJCUARVHHU-LFAUPHGHSA-N	568.667	2.600	30	40	KFEB	
Cc1ccc(S(=O)(=O)Oc2cccc(/C=N/Nc3cc(N4CCOCC4)nc(N4CCOCC4)n3)c2)cc1	408971711	PNFSVECQWINUJQ-ZXVVBBHZSA-N	538.630	2.672	30	40	KFEB	
CCN(CC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N/N=C/c1cc([N+](=O)[O-])ccc1N1CCN(C)CC1	8809744	CUPFPWAYSMTMSQ-XQNSMLJCSA-N	519.584	2.731	30	40	KFEB	
O=C(Cc1ccccc1Cl)/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1NC(=O)Cc1ccccc1Cl	13624469	BYFYVPWSQILYRF-LOLMUTCCSA-N	512.440	2.907	30	40	KFEB	
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N[C@H](Cc1c[nH]c2ccc(O)cc12)C(=O)O	150344921	OIFUSWZLCJYPAZ-UALFEFSASA-N	662.736	2.888	30	40	KFEB	
C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4ccc(O)c([N+](=O)[O-])c4)c(=O)n32)cc1	408847415	MMCFHVJYRLANFG-CVGPFBNFSA-N	521.551	2.977	30	40	KFEB	
CCOC(=O)COc1cc(Br)c(/C=N/N[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OC	408940890	CMNCMJKAGITLMV-KUVDVEBHSA-N	679.521	2.920	30	40	KFEB	
CO[C@@H]1[C@@H](O[C@@H]2O[C@H](C)[C@H](O[C@@H]3C[C@](C)(O)[C@H](O)[C@H](C)O3)[C@H](N(C)C)[C@@H]2O)[C@@H](CC=O)C[C@@H](C)[C@@H](O[C@@H]2CC[C@H](N(C)C)[C@H](C)O2)/C=C/C=C/C[C@@H](C)OC(=O)C[C@H]1OC(C)=O	575133004	ZPCCSZFPOXBNDL-UTQJPLRKSA-N	885.102	2.896	30	40	KFEB	
CCOc1ccc(CCNC(=O)c2ccc(/N=C3\N[C@H]4CS(=O)(=O)C[C@@H]4S3)cc2)cc1OCC	9529982	VPHRVYADHLHMOF-UGKGYDQZSA-N	503.646	2.946	30	40	KFEB	
Cc1ccc(S(=O)(=O)NC(=O)C(=NNc2ccccc2Cl)C(=O)NS(=O)(=O)c2ccc(C)cc2)cc1	101390595	QOAHKASKQZBPFC-UHFFFAOYSA-N	549.030	2.735	30	40	KFEB	
COc1cccc([C@@H]2/C(=C(\O)c3cnn(-c4ccccc4)c3C)C(=O)C(=O)N2CCN2CCOCC2)c1OC	102859049	NHWUUBKOZXSMDD-NPJIAGGLSA-N	532.597	2.952	30	40	KFEB	
O=C(C[C@@H]1S/C(=N/c2ccc(S(=O)(=O)N3CCOCC3)cc2)N(C[C@@H]2CCCO2)C1=O)Nc1ccccc1	102961216	XAZJTXALIDBVNA-VFRCPJOSSA-N	558.682	2.847	30	40	KFEB	
C#CCOc1c(Br)cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc1OCC	214688977	RTYNDZOOCKSSTB-SFQUDFHCSA-N	509.378	2.755	30	40	KFEB	
CC[C@@H](C)[C@@H](NC(=O)[C@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@@]21C)C(C)C)C(=O)O	217344377	SVMLVPRFQSDMBZ-VFFVXMJOSA-N	674.832	2.869	30	40	KFEB	
C=CCOc1c(I)cc(/C=C2\C(=O)NC(=S)N(C)C2=O)cc1I	408917341	RKIHLFZVCIRHSN-WEVVVXLNSA-N	554.147	2.717	30	40	KFEB	
C=CCc1cc(/C=N/N[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc(OC)c1OC	408943516	FVOORYHADQKJBV-JDHIBWLUSA-N	568.627	2.953	30	40	KFEB	
CC(=O)N[C@@H](/C=N/O)[C@@H](OC(=O)c1ccccc1)[C@H](OC(=O)c1ccccc1)[C@H](O)COC(=O)c1ccccc1	258840305	ZUCDZDBXQFFLCZ-PFJNSTMBSA-N	548.548	2.620	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C\c1c(C)n(CC#N)c2ccccc12	408946920	IXPMQUOWXFNDJA-QGSRPVLBSA-N	560.611	2.994	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C\c1cc(Br)cc(OC)c1OCC#N	408951305	NAVJBHNMXOFXLQ-AJGOVQJNSA-N	632.468	2.881	30	40	KFEB	
C=CCOc1cccc(/C=N\N[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)c1	408959308	ZDRHTBKGAOHHPF-AHFUYDSTSA-N	524.574	2.772	30	40	KFEB	
COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCN2CCOCC2)cc1OC	15952857	DHSQVGWIUXECKE-SSOJOUAXSA-N	508.571	2.938	30	40	KFEB	
CO[C@@H]1C[C@H](O[C@H]2CC[C@]3(/C=N/CC#N)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)O[C@H](C)[C@@H]1O	70673691	LWKAZUCECAEDKN-SCTMSXDFSA-N	586.726	2.829	30	40	KFEB	biogenic
Cn1c(=O)[nH]c(=O)c2c1nc(N/N=C/C=C\c1ccc([N+](=O)[O-])o1)n2C[C@@H](O)COc1ccc(Cl)cc1Cl	100267601	SCKCFARYSOBWBL-BBJXMIBOSA-N	564.342	2.782	30	40	KFEB	
Cn1c(=O)[nH]c(=O)c2c1nc(N/N=C\C=C/c1ccccc1)n2C[C@H](O)COc1ccc(Br)cc1	100678286	LGINKHGRIPQZAX-SPFDFUFQSA-N	539.390	2.737	30	40	KFEB	
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=C/C(=N\OCC(=O)NCC5CCC(C(=O)O)CC5)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO	118918921	FUZPADALZLFZAV-FHQRIAINSA-N	574.715	2.592	30	40	KFEB	
C=CCc1cc(/C=N/N[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc(OC)c1OC	408943518	FVOORYHADQKJBV-LDTLGUNKSA-N	568.627	2.953	30	40	KFEB	
COC(=O)C[C@@H](c1c(O)ccc2c1O/C(=C\N1CCOCC1)C2=O)c1coc2ccc(OC)cc2c1=O	604405276	QGASXIAVYTZGEM-VYZAVGSRSA-N	507.495	2.951	30	40	KFEB	biogenic
O=[N+]([O-])c1ccc(/C(Br)=C2/OS(=O)(=O)c3cc([N+](=O)[O-])ccc32)c(S(=O)(=O)O)c1	100353606	PJVKJXLMEORLTF-YPKPFQOOSA-N	507.252	2.689	30	40	KFEB	
CC1(C)[C@@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)CC[C@@]2(C=O)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2C3=C[C@@](C)(C(=O)O)CC[C@]3(C)CC[C@]21C	255253110	OHGFKHHCPIGSKE-QRHAXURNSA-N	778.933	2.792	30	40	KFEB	biogenic,in-vitro
COc1cc(/C=N/n2c(N)c(C(=O)NC[C@H]3CCCO3)c3nc4ccccc4nc32)cc(OC)c1OC	8836234	BXNNHMHEINCEQG-BAXYXGPBSA-N	504.547	2.984	30	40	KFEB	
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCN2CCOCC2)cc1	15837209	GEDKEPRDBXBTQE-MZNJEOGPSA-N	506.555	2.707	30	40	KFEB	
COc1ccc([C@H]2/C(=C(\O)c3cnn(-c4ccccc4)c3C)C(=O)C(=O)N2CCN2CCOCC2)cc1OC	102932948	IZHYBQVRBMNUCI-CZNAVJSXSA-N	532.597	2.952	30	40	KFEB	
COc1ccc(OC)c(NC(=O)C[C@@H]2S/C(=N\c3cccc(S(=O)(=O)N(C)C)c3)N(CCCN3CCOCC3)C2=O)c1	102962509	MGDVHUGGSKJRIE-WEBDSESRSA-N	619.766	2.637	30	40	KFEB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCC#N)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409036120	KRNXAVZWJRQKHZ-QFDNUGPTSA-N	591.642	2.651	30	40	KFEB	
COC(=O)CC[C@H](O)[C@]1(C(=O)OC)CC(=O)c2c(cc3c(c2O)[C@H]2C=C[C@@]4(C3)C(=O)c3cc(C)cc(O)c3C(O)=C4C2=O)O1	514288165	SICSUAZJUCXREK-JAQAKLJFSA-N	604.564	2.528	30	40	KFEB	biogenic,in-vitro
COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCN2CCCC2)c(OC)c2c1OCO2	85413532	TZBDNLABQJHSLT-NRFANRHFSA-N	524.526	2.835	30	40	KFEB	
C#CCOc1cccc(/C=c2/sc3n(c2=O)[C@H](c2ccc(OCC)c(OCC)c2)C(C(=O)OC)=CN=3)c1	408952764	VTLDEORXWWEEMI-JIOFHBDDSA-N	518.591	2.828	30	40	KFEB	
C=CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC)c(OC)c2)C(C(=O)OC)=C(C)N=3)cc1	1788902	JLWNGFBKLDCPJK-YMSBRDKKSA-N	506.580	2.990	30	40	KFEB	
C=CCn1c(=O)c2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2n(CC(=O)Nc2ccc(OC)cc2)c1=O	97999301	DJVCYLDSJACEBM-UHFFFAOYSA-N	542.548	2.655	30	40	KFEB	
C=CCN1C(=O)NC(=O)/C(=C\c2cc(I)cc(I)c2OC)C1=O	100359920	IRDDFRDTAGGAMZ-UXBLZVDNSA-N	538.079	2.552	30	40	KFEB	
COc1cc(/C=N\N=c2[nH]c3nonc3[nH]c2=Nc2ccc(Br)cc2)cc(OC)c1OC	408720628	APKDVEUFPYHCSX-YVNNLAQVSA-N	500.313	2.835	30	40	KFEB	
CCC[C@@H]1O[C@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@H](O)C[C@]3(C)[C@]2(C(=O)COS(C)(=O)=O)O1	118917420	UNRWYSJKJKUNPJ-ROSDCDIHSA-N	508.633	2.701	30	40	KFEB	
C=CCc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc4c(c2)OCO4)C(C(=O)OCC)=C(C)N=3)ccc1O	408995006	KMTMUEOGQCWPMR-XOBACGFXSA-N	504.564	2.961	30	40	KFEB	
COc1cc(/C=N\Nc2nc(=Nc3ccccc3)[nH]c(=Nc3ccccc3)[nH]2)ccc1OCC(=O)N1CCOCC1	409198138	XZWMPLKWQWPRQB-FSGOGVSDSA-N	554.611	2.895	30	40	KFEB	
CC(C)(C)OC(=O)NCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Br)cc1F	101311678	NNYBUQUGRRPFTI-OBVRQNTFSA-N	522.418	2.714	30	40	KFEB	
COc1cc([C@@H]2/C(=C(\O)c3sc(C)nc3C)C(=O)C(=O)N2CCCN2CCOCC2)cc(OC)c1OC	102861179	DRDMKQHKKXUPJB-JBCNATCCSA-N	531.631	2.930	30	40	KFEB	
CCOc1cc(/C=N/N[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)ccc1OCC#N	408946223	IGTJLZVNWMIXNP-ZSCWCSKLSA-N	567.599	2.508	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1c(C)[nH]c2ccccc12	408955604	QRJWTILDFLTVAA-JYUWGMNDSA-N	521.574	2.997	30	40	KFEB	
CCN1C(=O)[C@]2(C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCN2CCOCC2)c2ccccc21	24192895	UALWDMANWYWMPD-HZAQMHFWSA-N	531.609	2.831	30	40	KFEB	
C#CCOc1ccc(Cl)cc1/C=N\N[C@@H](O)COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OCC	408944862	GYOPFINHVDXCCC-CBLWXDATSA-N	557.003	2.873	30	40	KFEB	
CCOC(=O)COc1c(Cl)cc(/C=N/N[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OC	408958293	VLUNQVFALXWPKA-ANXAOISFSA-N	635.070	2.811	30	40	KFEB	
COc1ccc([C@H]2C(C(=O)c3c(C)nc4ccccn34)=C(O)C(=O)N2CCN2CCOCC2)cc1OC	8826929	BBEDQAZQHDQZPU-DEOSSOPVSA-N	506.559	2.570	30	40	KFEB	
CC(C)(C)OC(=O)CCOCCOCCOCCOCCOCCOCCNC(=O)OCC1[C@H]2CCC#CCC[C@H]12	230497333	GEJQWPAOPDUTFO-UIOOFZCWSA-N	585.735	2.984	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C\c1ccccc1OC(C)C	408940713	CHPWJFZGGFORJP-PLZYNDFDSA-N	526.590	2.994	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1cc(Cl)c(OCC(=O)OC)c(OCC)c1	408944497	GQBGCUQOBNUMDO-HKTILGSXSA-N	635.070	2.811	30	40	KFEB	
C=CCc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc4c(c2)OCO4)C(C(=O)OCC)=C(C)N=3)cc(OC)c1O	409001142	USHUFYPUGJIMJM-XOBACGFXSA-N	534.590	2.970	30	40	KFEB	
C=CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OC)c(OC)c3)c(=O)n2[C@H]1c1ccccc1	11614312	QCUNQJHYEYMVQG-QFVBLGFASA-N	506.580	2.990	30	40	KFEB	
COc1cc([C@@H]2C(C(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)=C(O)C(=O)N2C[C@@H]2CCCO2)ccc1O	1099084	CDYVWDBHKCWKSF-YADARESESA-N	542.610	2.943	30	40	KFEB	
CC(C)(C)OC(=O)NCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Br)cc1	32635167	OBFDVIHITAPEHO-GTBJWYNWSA-N	504.428	2.575	30	40	KFEB	
C=CC(C)(C)OC[C@H]1O[C@H](O[C@@H]2C3=C([C@@H](C)COC(C)=O)C[C@H](O)[C@]3(C)C=C3[C@@H](COC)CC[C@H]3[C@@H](C)[C@H]2O)[C@H](O)[C@@H](OC(C)=O)[C@@H]1O	299888479	KXTYBXCEQOANSX-GHHHSXTCSA-N	680.832	2.608	30	40	KFEB	
COc1ccc(/C=N/Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	100545386	ZDGSBRCZEVEFHO-WGOQTCKBSA-N	581.546	2.608	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1	408950598	MJCFGJSJEOBLAU-SJLPXIOISA-N	547.952	2.769	30	40	KFEB	
COC1=C2C[C@H](C)C[C@H](OC)[C@H](O)[C@H](C)/C=C(\C)[C@@H](OC(=N)O)[C@@H](OC)/C=C/C=C(\C)C(=O)NC(=C(O)C1=O)C2=O	514287999	JBGGGJXLNZQZKM-MWHKMRJGSA-N	576.643	2.708	30	40	KFEB	biogenic,in-vitro
COC(=O)c1[nH]c(C)c(/C(O)=C2\C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccccc2OC)c1C	102860636	ACIJGAAUQROBDK-BUANBSPESA-N	511.575	2.571	30	40	KFEB	
O=C(C[C@H]1S/C(=N/c2ccc(S(=O)(=O)N3CCOCC3)cc2)N(C[C@@H]2CCCO2)C1=O)Nc1ccccc1	102961212	XAZJTXALIDBVNA-QYAMTXDDSA-N	558.682	2.847	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1cc(Br)c(OCC#N)c(OC)c1	408944856	GXXDFCZXFUNHKA-OZORCGAZSA-N	632.468	2.881	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1cc(OC)c(OCC(=O)OC)cc1Br	408948982	LFAFSQRIZGSNIQ-CGEQCMOISA-N	665.494	2.530	30	40	KFEB	
CCc1c(C)c(C#N)c(=S)n([C@@H]2O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)c1C	5956169	GINFPTWSKPUPFL-BVAFDOMYSA-N	522.576	2.524	30	40	KFEB	
C(=N/Nc1nc(N2CCOCC2)nc(N2CCOCC2)n1)\c1ccc(Sc2nc3ccccc3[nH]2)o1	9310227	NMZDOWADSACEGH-BUVRLJJBSA-N	507.580	2.611	30	40	KFEB	
O=C(Oc1ccc(/C=N\Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1)c1ccc(Cl)cc1	33908176	CEANXMYZHUXAEW-PKAZHMFMSA-N	523.981	2.863	30	40	KFEB	
COc1cccc([C@@H]2/C(=C(\O)c3sc(C)nc3C)C(=O)C(=O)N2CCCN2CCOCC2)c1OC	102880400	JNNSNMFNWPOWAY-YDJIHCHBSA-N	501.605	2.921	30	40	KFEB	
C#C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N\OCC(=O)N[C@@H](C(=O)N[C@H](CC(=O)O)C(=O)O)C(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C	217338033	WYUHHNBNAWYJMG-SBVGWQLOSA-N	599.725	2.871	30	40	KFEB	
COc1ccc([C@@H]2/C(=C(\O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCCN2CCOCC2)cc1OC	9375193	SIQIIUCHWMPUNP-NPJIAGGLSA-N	524.570	2.619	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C\c1cc(I)cc(OC)c1O	408944077	GHAYEVSVYKQFSS-FZDRLKPYSA-N	640.431	2.526	30	40	KFEB	
C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC(C)=O)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1	2704429	IZVWEBZHKMVWBE-DLBLZJNESA-N	504.564	2.898	30	40	KFEB	
CC(=O)OC[C@H]1O[C@@H](n2c(-c3ccccc3)cc(-c3ccco3)c(C#N)c2=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	5808674	XURBLYBQYWNXSZ-FEWUNMPKSA-N	592.557	2.903	30	40	KFEB	
C#CCn1/c(=N/C(=O)c2cc(OCC)c(OCC)c(OCC)c2)sc2cc(S(N)(=O)=O)ccc21	100875760	JULFJRRLDOQZNE-BZZOAKBMSA-N	503.602	2.921	30	40	KFEB	
CO[C@]1(C)O[C@@H](COS(=O)(=O)c2ccc(C)cc2)[C@@H](COS(=O)(=O)c2ccc(C)cc2)O[C@@]1(C)OC	102726030	CIZLVXBAALAMNQ-UEQSERJNSA-N	544.644	2.923	30	40	KFEB	
CCC(=O)O[C@H]1CC(=O)O[C@H](C)CC=CC=C[C@H](O)[C@H](C)C[C@@H](CC=O)[C@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](OC(=O)CC)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@H]1OC	299888302	DMUAPQTXSSNEDD-XBQGWIHCSA-N	813.979	2.767	30	40	KFEB	
CCCCCCCC(=O)OCC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@H](O[C@@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C1)C(=O)c1c(OC)cccc1C3=O	95740170	MFUJRSZQSMPGLX-AHWHJIRKSA-N	669.724	2.913	30	40	KFEB	
COc1ccc(OC)c(NC(=O)C[C@H]2S/C(=N/c3cccc(S(=O)(=O)N(C)C)c3)N(CCCN3CCOCC3)C2=O)c1	97981972	MGDVHUGGSKJRIE-QZBXLYOJSA-N	619.766	2.637	30	40	KFEB	
CC(=O)N[C@@H]1[C@H](Oc2ccc(C(=O)/C=C/c3ccccc3)cc2)O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	195528677	JSSYUFYKKJGNOD-IIMWGKBGSA-N	553.564	2.618	30	40	KFEB	
CO[C@H]1C[C@H](O[C@@H]2CC[C@]3(/C=N/CCCO)[C@H]4CC[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@@]3(O)C2)O[C@H](C)[C@H]1O	257199220	WTQHODYWVQKVNY-YEMYDPTNSA-N	605.769	2.688	30	40	KFEB	
CCOc1ccc(/C=N/N[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OC	408958111	VFYZTGIBGNJXDF-DDFSSGQVSA-N	542.589	2.614	30	40	KFEB	
COc1cc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCN2CCOCC2)cc(OC)c1OC	20057699	LYGXXLIRPCRIMX-JOCHJYFZSA-N	500.523	2.762	30	40	KFEB	
C#C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N\OCC(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)O)C(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C	118918803	WYUHHNBNAWYJMG-AZPZYJHESA-N	599.725	2.871	30	40	KFEB	
C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@@]2(O)C(=O)COC(=O)CCC(=O)NCc1cccnc1	118920338	RPCYENFQQJKDTO-BGYASFNKSA-N	550.652	2.600	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1cc(Cl)c(OCC(=O)O)c(Cl)c1	408944069	GGBNDPWQBGHXPK-PYAVKXPSSA-N	611.435	2.977	30	40	KFEB	
COC1=C2C[C@H](C)C[C@H](OC)[C@H](O)[C@H](C)C=C(C)[C@@H](OC(=N)O)[C@H](OC)C=CC=C(C)C(=O)NC(=C(O)C1=O)C2=O	958322913	JBGGGJXLNZQZKM-DIPPVDBQSA-N	576.643	2.708	30	40	KFEB	biogenic,in-vitro
Oc1c(I)cc(C=NNc2ncc(F)c(N3CCOCC3)n2)cc1I	254566214	GPSGWQQXKQQUMC-UHFFFAOYSA-N	569.116	2.813	30	40	KFEB	
C#CCOc1ccc(Br)cc1/C=N\N[C@H](O)COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OCC	408957465	TUEQTMHVPHASIY-MCRYNVSCSA-N	601.454	2.982	30	40	KFEB	
CCCCCCCCC[C@H]1CC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](C)C(=O)N[C@H](C(C)C)C(=O)O1	73293003	KIJLRIARMCGDJZ-MNJDWDTBSA-N	637.863	2.876	30	40	KFEB	
COC(=O)[C@@H]1[C@H](O)[C@H](C)[C@H](O)[C@](C)(O)C=CC=C(C)C(=O)Nc2c(C)c(OC(C)=O)c3c(c2O)C(=O)C(C)=C2OCOC(=C23)C(C)=C[C@](C)(O)[C@H](O)[C@H](C)[C@H]1OC(C)=O	263594987	DAQTVVQVNADAHI-MIWMQEPTSA-N	827.877	2.790	30	40	KFEB	
O=C(Oc1ccc(/C=N/Nc2nc(N3CCCC3)nc(N3CCOCC3)n2)cc1)c1ccc([N+](=O)[O-])cc1	408724064	DMDWMSRNPKVQIN-YZSQISJMSA-N	518.534	2.882	30	40	KFEB	
CC(=O)OC[C@H]1O[C@@H](n2c(-c3ccccc3)cc(-c3ccco3)c(C#N)c2=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	5808676	XURBLYBQYWNXSZ-NQPVIYSZSA-N	592.557	2.903	30	40	KFEB	
CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](CC[C@@]3(C)[C@H](c4ccoc4)OC(=O)[C@H]4O[C@]432)[C@@]23COC(=O)C[C@@H]2OC(C)(C)[C@H]13	67902622	IHOHGVDNDQTZGL-KZIYRTBLSA-N	528.554	2.679	30	40	KFEB	biogenic,in-vitro
CCOC(=O)[C@@H]1NC(=C2C(=O)c3ccccc3C2=O)[C@H]2C(=O)N(N(C)c3ncc(C(F)(F)F)cc3Cl)C(=O)[C@@H]21	100910838	AHJCNTNLMQYJJX-RLFYNMQTSA-N	562.888	2.574	30	40	KFEB	
CCCC(=O)O[C@H]1[C@H](C)[C@]2(O)[C@H](C=C(CO)C[C@@]3(O)C(=O)C(C)=C[C@@H]32)[C@@H]2C(C)(C)[C@@]12OC(=O)CCC	2061000786	BQJRUJTZSGYBEZ-ZEPWORBGSA-N	504.620	2.632	30	40	KFEB	
CC(C)(C)OC(=O)NCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Br)cc1	32635168	OMEJGSGNONIYFC-NUQINZOXSA-N	518.455	2.965	30	40	KFEB	
Cc1ccc(S(=O)(=O)OC([C@H]2OCOC[C@H]2OS(=O)(=O)c2ccc(C)cc2)[C@@H]2OCOC[C@H]2OS(=O)(=O)c2ccc(C)cc2)cc1	150364086	WUKQZTARHPBQAQ-IYQIWVJGSA-N	698.790	2.980	30	40	KFEB	
C#CCOc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1OC	408810859	QEUUMSLYMCNSEP-OVCLIPMQSA-N	547.261	2.886	30	40	KFEB	
CCOc1cc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c(Br)c(Br)c1OCC(N)=O	409408395	QHQFRMWKUGUVBW-FCIDVOKBSA-N	541.196	2.615	30	40	KFEB	
COc1cccc2c1C(=O)[C@H]1[C@H](C2=O)[C@H](O)[C@H]2C[C@@](O)(/C(C)=N/N=C/C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C[C@@H](O[C@H]3C[C@H](N)[C@H](O)[C@H](C)O3)[C@H]2[C@H]1O	257198961	NMRQTRXDJXMXSO-AQTPXSFSSA-N	777.634	2.923	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1ccc(OC)c(C)c1	408955533	QPAYQROOHAVEBY-GSJUJJHQSA-N	512.563	2.524	30	40	KFEB	
CCOC(=O)[C@H]1[C@H](c2ccc(N(C)C)cc2)[C@@H](C(=O)OCC)/C(=N/NS(=O)(=O)c2ccc(C)cc2)C[C@]1(C)O	100239200	LLYBBIGZKVTSAO-GZIJQEGASA-N	559.685	2.992	30	40	KFEB	
C=CCOc1c(/C=N\N[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cccc1OC	408955630	QSSHBXHSECSKIK-LBFCWPBRSA-N	554.600	2.781	30	40	KFEB	
CC(C)(C)OC(=O)NCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Br)cc1	32635171	OMEJGSGNONIYFC-YRUMVWCYSA-N	518.455	2.965	30	40	KFEB	
COc1cc(OC)c2c(c1Cl)O[C@@]1(C(=O)C3=C(C[C@H]1C)Nc1c(c(=O)n(C)c(=O)n1C)[C@H]3c1ccc3c(c1)OCO3)C2=O	524729128	FCHQWKBMFNYAAD-ZXSLXWSKSA-N	608.003	2.918	30	40	KFEB	biogenic
C#C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@@H](C(=O)N[C@H](CCC(N)=O)C(=O)O)C(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C	118918964	KNRYIIYGPWGEQP-AYDNEGRYSA-N	612.768	2.662	30	40	KFEB	
COC(=O)[C@]12C(=O)[C@@](C)(O)C(=O)[C@@]1(C)C(C)=C[C@@H]1[C@]2(C)CC[C@H]2C(C)(C)[C@@H](OC(C)=O)CC[C@@]21C=O	253501056	VNBOCIKTDWMWMX-SFIMLOFPSA-N	502.604	2.984	30	40	KFEB	biogenic,in-vitro
C#C[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=NOCC(=O)N[C@H](CCC(N)=O)C(=O)O)CC[C@]4(C)[C@H]3CC[C@@]21C	253533782	RKAXLDHTTPHZOB-WMBGMUJQSA-N	513.635	2.521	30	40	KFEB	biogenic
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1cc(OC)c(OC(C)=O)cc1Br	408954959	PVPZVCNZIXCBLQ-GFJNLDLDSA-N	635.468	2.904	30	40	KFEB	
C=CCOc1c(/C=N\N[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cccc1OC	408955628	QSSHBXHSECSKIK-IBKQCDLOSA-N	554.600	2.781	30	40	KFEB	
COc1cc(/C=N/N=C2\NC(=O)[C@@H](CC(=O)O)S2)cc(Br)c1OS(=O)(=O)c1ccc(NC(C)=O)cc1	97958842	FBOXMKMPTRSLRH-OLGPUJBVSA-N	599.441	2.580	30	40	KFEB	
CCOC(=O)c1[nH]c(C)c(/C(O)=C2\C(=O)C(=O)N(CCN(C)C)[C@@H]2c2cc(OC)c(OC)c(OC)c2)c1C	102533432	KZBKVFHJASDNOR-IAMBOQNYSA-N	529.590	2.817	30	40	KFEB	
C#C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@@H](C(=O)N[C@@H](C(=O)O)[C@H](C)O)C(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C	217346067	KADOLKXSZIQGGJ-UUAWWXECSA-N	585.742	2.777	30	40	KFEB	
CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)Nc1ccc([N+](=O)[O-])cc1	29393046	WIANJQKJPHTSBO-AWCRTANDSA-N	674.759	2.750	30	40	KFEB	
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NCC1CCC(C(=O)O)CC1	70692402	DFQDPPOTXINHQE-LBRUXDOYSA-N	599.721	2.896	30	40	KFEB	biogenic
C=CCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)sc2cc(S(N)(=O)=O)ccc21	100874786	GIOQIUGSADLOFX-BZZOAKBMSA-N	534.685	2.698	30	40	KFEB	
COC(=O)c1[nH]c(C)c(/C(O)=C2\C(=O)C(=O)N(CCCN(C)C)[C@H]2c2cc(OC)c(OC)c(OC)c2)c1C	102482849	BFKGNASGYGDMSZ-HFEWCJDKSA-N	529.590	2.817	30	40	KFEB	
CCOC(=O)COc1ccc(Cl)cc1/C=N\N[C@H](O)COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OCC	408951427	NGLSWZCHAQTBFV-HPJJTQMGSA-N	605.044	2.802	30	40	KFEB	
CCCC[C@@H](C)/C=C(C)/C=C(\C)C(=O)NC1=C[C@@](O)(/C=C/C=C/C=C/C(=O)NC2C(=O)CCC2=O)[C@@H]2O[C@@H]2C1=O	3930615	XIZGHTZLVCHYJN-MVTGTTCWSA-N	550.652	2.872	30	40	KFEB	
CS(=O)(=O)O[C@@H]1[C@@H](OC(=O)c2ccccc2)[C@H](COC(=O)c2ccccc2)O[C@@H]1OC(=O)c1ccccc1	5341345	VZIXNTWOWQCRAQ-OJXRJRMYSA-N	540.546	2.996	30	40	KFEB	
COC(=O)c1ccc([C@@H]2C(C(=O)c3c(C)nc4c(C)cccn34)=C(O)C(=O)N2CCN2CCOCC2)cc1	8826992	PZEFEBURIOUSFE-HSZRJFAPSA-N	518.570	2.648	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1cc(I)c(OCC(=O)OC)c(OCC)c1	408955994	RCAJATMQMOYOEO-CAVNYTLZSA-N	726.521	2.762	30	40	KFEB	
COc1ccc([C@H]2/C(=C(\O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCCN2CCOCC2)cc1OC	9375196	SIQIIUCHWMPUNP-IUKMQXEJSA-N	524.570	2.619	30	40	KFEB	
CCCN1C(=O)[C@@]2(C(C(=O)c3ccc(C)c(F)c3)=C(O)C(=O)N2CCN2CCOCC2)c2ccccc21	24147315	AZFXVYWNDCNXAM-NDEPHWFRSA-N	507.562	2.955	30	40	KFEB	
CCN1C(=O)[C@]2(C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2CCCN2CCOCC2)c2ccccc21	24147550	BFXHFCBAWZFZSG-MUUNZHRXSA-N	505.571	2.517	30	40	KFEB	
CO[C@@H]1C[C@H](O[C@@H]2CC[C@]3(C#N)[C@H]4CC[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)O[C@@H](C)[C@@H]1O	70708159	PQYWNPQSYWMPGQ-KLMOFONMSA-N	545.673	2.758	30	40	KFEB	biogenic
Cc1ccc(S(=O)(=O)OC[C@H](O)COc2ccc(OC[C@@H](O)COS(=O)(=O)c3ccc(C)cc3)cc2)cc1	104828679	HZMDDMZDCNZESH-FGZHOGPDSA-N	566.650	2.594	30	40	KFEB	
C=CCNC1=C2C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)C=C(C)[C@@H](OC(=N)O)[C@H](OC)C=CC=C(C)C(=O)NC(=CC1=O)C2=O	1082170736	AYUNIORJHRXIBJ-FCWQUAGOSA-N	585.698	2.952	30	40	KFEB	
COc1ccc(Br)cc1/C=N/NC(=S)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	3253415	ICBPRMHCOAGHLH-FYJGNVAPSA-N	513.439	2.799	30	40	KFEB	
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@H]1c1ccccc1	15880057	KIOWSYZNXOXWSD-XMMPIXPASA-N	527.643	2.628	30	40	KFEB	
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@H]1c1ccc(C)cc1	38152183	SCOQLAFUFFNONL-RUZDIDTESA-N	541.670	2.936	30	40	KFEB	
C=CCn1c(=O)/c(=C2/Sc3ccc(OC)cc3N2C)s/c1=C1/C(=O)N(c2ccccc2)N=C1CC(=O)OCC	97963999	PNPFJBSYIXWYIJ-YFMKTMAWSA-N	562.673	2.919	30	40	KFEB	
CS(=O)(=O)O[C@H]1[C@@H](OC(=O)c2ccccc2)OC[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1	101136704	MBBLDWQNHWZAHE-DVAKJLRASA-N	540.546	2.996	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1ccc(OC)c(Br)c1	408942681	DXWZRQNNPOXEDT-UXGPZQCPSA-N	577.432	2.978	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C\c1cc(Cl)ccc1OCC#N	408945442	HOHBJUNXQLCKIT-ALUZHPLXSA-N	557.991	2.763	30	40	KFEB	
C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)cc1	1771023	BKUJWFUQYHTOQE-LWUPDDLQSA-N	534.590	2.907	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C\c1ccc(C)c(OC)c1	408940359	BXDOLCJKWXLXBB-YAIIYLDSSA-N	512.563	2.524	30	40	KFEB	
COc1cc([C@@H]2C3=C(C[C@@H](C)[C@]4(Oc5c(Cl)c(OC)cc(OC)c5C4=O)C3=O)Nc3c2c(=O)n(C)c(=O)n3C)ccc1O	524732059	VRIVRPHVJICXEY-XCRXPNQSSA-N	610.019	2.903	30	40	KFEB	biogenic
CCOC(=O)c1c(-c2ccc(OC)cc2)c(C#N)c(=S)n([C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c1-c1ccccc1	5956371	XRJYQXMYBFBTJQ-WFDCOESZSA-N	552.605	2.581	30	40	KFEB	
CCN(CC)C(=O)[C@@H]1CCCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2N/N=C2\C(=O)Nc3ccccc32)C1	103766113	VIMBFNGQBJYTAX-MRXNPFEDSA-N	528.591	2.632	30	40	KFEB	
CCCCCCC[C@@H](Oc1cc(O)c2c(=O)c(-c3ccc(O[C@H]4O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]4O)cc3)coc2c1)C(=O)OC	254744058	MPYCQJDTFYUOKP-HOYHJLGFSA-N	602.633	2.625	30	40	KFEB	
C#CCOc1ccc(/C=N/N[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OCC	408944146	GLSAGGNVUINHFQ-PSTCCKRPSA-N	566.611	2.618	30	40	KFEB	
C=CCN1C(=O)[C@@]2(C(C(=O)c3ccc(OCC)cc3)=C(O)C(=O)N2CCN2CCOCC2)c2ccccc21	24147507	URNGNGJHGVHJDY-LJAQVGFWSA-N	517.582	2.683	30	40	KFEB	
CC(=O)O[C@@H]1C[C@H](O[C@H]2CC[C@]3(C=O)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)O[C@@H](C)[C@H]1OC(C)=O	70680458	PHSBHTPVOGIRQM-SBKOSKJMSA-N	618.720	2.921	30	40	KFEB	biogenic
COC(=O)COc1c(OC)cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc1[N+](=O)[O-]	409282577	OXTHQZHCDKRLDJ-UHFFFAOYSA-N	505.281	2.818	30	40	KFEB	
O=C(Oc1ccc(/C=N\Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1)c1ccccc1Cl	34704132	FHXLQRCXGZLYBI-PKAZHMFMSA-N	523.981	2.863	30	40	KFEB	
CCCOc1ccc(/C=N/Nc2nc3c(c(=O)[nH]c(=O)n3C)n2C[C@H](O)COc2ccc(CC)cc2)cc1	6162436	WLWPZDZWDICHBI-LDWYRGJHSA-N	520.590	2.660	30	40	KFEB	
O=C(C1=C(O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCCO2	8897029	HXENEXZWLWMURC-HSZRJFAPSA-N	509.515	2.667	30	40	KFEB	
CCN1C(=O)[C@@]2(C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCN2CCOCC2)c2ccccc21	24192894	UALWDMANWYWMPD-ADSBAMQRSA-N	531.609	2.831	30	40	KFEB	
C[C@H](CCCCCCCCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)C(=O)C1=C(O)N(C)[C@H](C)C1=O	58522595	NHTZEZZBJRROIH-VDKGJPPBSA-N	557.725	2.752	30	40	KFEB	biogenic
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cc(OC)ccc2OC)c1C	97952989	OKLUCESKFJNVHM-XMMPIXPASA-N	541.601	2.736	30	40	KFEB	
COc1c(OC(C)=O)ccc(/C=N\N=c2[nH]c3nonc3[nH]c2=Nc2ccc(Br)cc2)c1[N+](=O)[O-]	408721332	OYTRRMWVJVMRKI-AFPJDJCSSA-N	543.294	2.651	30	40	KFEB	
CCOC(=O)COc1ccc(Cl)cc1/C=N\N[C@@H](O)COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OCC	408951419	NGLSWZCHAQTBFV-CFGCOTJXSA-N	605.044	2.802	30	40	KFEB	
C=C1[C@H](OC(C)=O)[C@@H](OC(=O)C(C)C)C(=O)C(C)(C)C=C[C@@H](C)C(=O)[C@@]2(OC(C)=O)C[C@@](C)(OC(C)=O)[C@H](OC(C)=O)[C@@H]2[C@H]1OC(C)=O	958317924	OSDVNRJELRKKGM-JRAYWFDBSA-N	678.728	2.919	30	40	KFEB	
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(Cl)cc2)c1C	8897371	QJPQJZKBSOGSKA-NRFANRHFSA-N	501.967	2.982	30	40	KFEB	
Cc1nc2c(C)cccn2c1C(=O)C1=C(O)C(=O)N(CCN2CCOCC2)[C@@H]1c1cccc([N+](=O)[O-])c1	9174168	XATVHIAEULIHOK-JOCHJYFZSA-N	505.531	2.770	30	40	KFEB	
C#C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@H](C(=O)N[C@@H](C(=O)O)[C@H](C)O)C(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C	217346147	KADOLKXSZIQGGJ-VMCWFZINSA-N	585.742	2.777	30	40	KFEB	
O=C(c1ccc(Cl)c(/N=C2/N[C@@H]3CS(=O)(=O)C[C@@H]3S2)c1)N1CCN(c2ccc(F)cc2)CC1	2959304	ZARBLTIZGFBGTG-UXHICEINSA-N	509.028	2.931	30	40	KFEB	
C[C@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(=O)O	12880177	HVVPPUPTQIHEMV-YQUJFFJYSA-N	517.619	2.731	30	40	KFEB	biogenic
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C\c1ccc(OC(C)=O)c(OCC)c1	408956417	RLEXHPSQLNQMGC-JFCQRZRWSA-N	570.599	2.531	30	40	KFEB	
Cc1c(/C=N/N=c2\[nH][nH]/c(=N/N=C/c3c(C)n(C)n(-c4ccccc4)c3=O)c3ccccc23)c(=O)n(-c2ccccc2)n1C	1680511	KLYRMTOMIBUROV-ZXHXELASSA-N	586.660	2.961	30	40	KFEB	
CC(=O)O[C@@H]1C(=O)[C@]2(C)[C@H](CC[C@@]3(C)[C@H](c4ccoc4)OC(=O)[C@H]4O[C@]432)[C@@]23COC(=O)C[C@@H]2OC(C)(C)[C@H]13	106716034	IHOHGVDNDQTZGL-PYZPSMFESA-N	528.554	2.679	30	40	KFEB	biogenic,in-vitro
C#CCOc1cc(Br)c(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc1OCC	409138721	HBEYIEPPCNDKNC-WOJGMQOQSA-N	509.378	2.755	30	40	KFEB	
CCOc1cc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc(I)c1O[C@H](C)C(=O)OC	409402695	FUUDARHGCSBNON-RUUSSUOPSA-N	538.338	2.771	30	40	KFEB	
C=C1[C@H](C)[C@@H]2[C@@H](Cc3ccccc3)NC(=O)[C@@]23[C@@H](OC(C)=O)C=C[C@](C)(O)C(=O)[C@H](C)CC=C[C@@H]3[C@H]1O	2060993631	SDZRWUKZFQQKKV-XUJPOKMESA-N	507.627	2.917	30	40	KFEB	
CCOC(=O)[C@@H]1/C(=N/NS(=O)(=O)c2ccc(C)cc2)C[C@](C)(O)[C@@H](C(=O)OCC)[C@@H]1c1ccc(OC)c(O)c1	100239168	HQHWFPSAJVRMRN-DUOIEYBVSA-N	562.641	2.641	30	40	KFEB	
O=C(O)CCCCCNC1=C(n2nnc3ccccc32)C(=O)C(NCCCCCC(=O)O)=C(n2nnc3ccccc32)C1=O	102451875	IKVKBEQCABSARM-UHFFFAOYSA-N	600.636	2.834	30	40	KFEB	
COC(=O)[C@H]1C[C@H](O)CN1C(=O)CO/N=C1/C=C[C@@]2(C)C(=C1)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O	85893539	RSSJAWQURRUEQB-CGZIZZTASA-N	500.636	2.984	30	40	KFEB	
C#CCn1cc(/C=N\N[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)c2ccccc21	408941961	DEJDPOGKCOOQGS-LUVJPBDYSA-N	545.596	2.795	30	40	KFEB	
CO[C@H]1[C@@H](O[C@@H]2O[C@H](C)[C@H](O[C@@H]3C[C@](C)(O)[C@H](O)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)[C@@H](O[C@@H]2CC[C@H](N(C)C)[C@H](C)O2)/C=C/C=C\C[C@@H](C)OC(=O)C[C@H]1OC(C)=O	504209444	ZPCCSZFPOXBNDL-KNUPJIJTSA-N	885.102	2.896	30	40	KFEB	
CCN1C(=O)[C@@]2(C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCN2CCOCC2)c2ccccc21	20440829	VUFIAMQLUFGVPH-NDEPHWFRSA-N	501.539	2.864	30	40	KFEB	
CC(C)(C)OC(=O)NCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(I)c1	101317903	WPFUNCZJGUDDGQ-SQMCUVOGSA-N	565.455	2.807	30	40	KFEB	
Cn1c(=O)[nH]c(=O)c2c1nc(N/N=C/C=C/c1ccccc1)n2C[C@@H](O)COc1ccc(Br)cc1	102469186	LGINKHGRIPQZAX-NWECEJEVSA-N	539.390	2.737	30	40	KFEB	
C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=C/C(=N\OCC(=O)NCCc5ccc(O)cc5)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO	118931880	RJEHFICEWKFKNX-CROFDJNOSA-N	554.684	2.650	30	40	KFEB	
CC(C)(C)OC(=O)NCC(=O)NCCCOCCOCCOCCCNC(=O)OC[C@@H]1[C@H]2CCC#CCC[C@H]21	725239503	SPXNLNQWLORDDS-UBRQYEGLSA-N	553.697	2.623	30	40	KFEB	
CC(=O)O[C@H]1CO[C@@H](n2c(N)c(C#N)c(-c3ccccc3)c(C#N)c2=S)[C@H](OC(C)=O)[C@@H]1OC(C)=O	5540586	MGXBCCDROORAHJ-BWKHYTDRSA-N	510.528	2.534	30	40	KFEB	
C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)cc3OC)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1	53305724	UPMZLJDGBIHEGY-CBYYHRJHSA-N	536.606	2.999	30	40	KFEB	
COCCN1C(=O)C(=O)/C(=C(/O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)[C@@H]1c1ccc(O)c(OC)c1	102552933	KBEBQWKYUJQNGD-AYWGPLOBSA-N	530.599	2.644	30	40	KFEB	
C[C@@H](Oc1c(I)cc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1I)C(=O)O	409405578	OOAYIKJVKMCOHM-ZJRUXDJCSA-N	606.154	2.889	30	40	KFEB	
COC(=O)/C=C/[C@]12COC(C)(C)[C@H]1[C@@H](O)[C@@H](OC(C)=O)[C@]1(C)[C@@H]2CC[C@@]2(C)[C@@H](c3ccoc3)OC(=O)[C@@H]3O[C@@]321	72320470	XWOZTQQJYJMHSX-GFTSCGEXSA-N	544.597	2.885	30	40	KFEB	biogenic,in-vitro
Cc1nc2ccccn2c1/C(O)=C1\C(=O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1cccc([N+](=O)[O-])c1	102499757	AAHFQEFVAXVDAV-COUQNMRISA-N	505.531	2.695	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1cc(Br)c(O)c(OC)c1	408952872	OEXYOUJXQRNMER-VZHUXCPHSA-N	593.431	2.684	30	40	KFEB	
CCN1C(=O)[C@]2(/C(=C(\O)c3cc4ccccc4o3)C(=O)C(=O)N2CCN2CCOCC2)c2ccccc21	102604895	DLLJWVPXJSEYJF-LYJWTBIJSA-N	501.539	2.707	30	40	KFEB	
COc1ccc(-c2c(C#N)c(O)n([C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3OC(C)=O)c(=S)c2C#N)cc1	5540764	VQNSHERTLWENMD-FSZFSWJXSA-N	613.601	2.598	30	40	KFEB	
Cn1c(=O)[nH]c(=O)c2c1nc(N/N=C/C=C\c1ccc([N+](=O)[O-])o1)n2C[C@H](O)COc1ccc(Cl)cc1Cl	100267609	SCKCFARYSOBWBL-PKSYTNGNSA-N	564.342	2.782	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1cc([N+](=O)[O-])ccc1Cl	408958054	UWRRYOPNSNHRRL-ROKKHWFHSA-N	547.952	2.769	30	40	KFEB	
COc1cccc(/C(O)=C2\C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cc(OC)c(OC)c(OC)c2)c1	102925313	HCGWBYMUMSJQCU-NXLSWJSLSA-N	526.586	2.865	30	40	KFEB	
COc1cc(OC)c2c(c1Cl)O[C@@]1(C(=O)C3=C(C[C@H]1C)Nc1c(c(=O)n(C)c(=O)n1C)[C@H]3c1ccc3c(c1)OCCO3)C2=O	604405596	ROFWQNMKABGVIJ-NSHQFOKRSA-N	622.030	2.960	30	40	KFEB	biogenic
N#Cc1cc(C#N)c(SCC(=O)Nc2ccccc2NC(=O)CSc2nc(N)c(C#N)cc2C#N)nc1N	53277362	BUPKYQANNXWXGX-UHFFFAOYSA-N	540.594	2.589	30	40	KFEB	
CCCCCCCCCCCCCCCCCCSCCO[C@@H]1O[C@H](CO)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O	150372005	XUKCZBPRMWBCAV-SFVAKSNCSA-N	654.904	2.622	30	40	KFEB	
C=CCN1C(=O)/C(=C/c2cc(Br)c(OC)c(I)c2)C(=O)NC1=S	408903610	UKVSQQLRMHHPBT-WEVVVXLNSA-N	507.147	2.875	30	40	KFEB	
C=CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)nnc1[C@@H](CO)NC(=O)c1ccc(OC)cc1	106626034	QFMOVCUMBIHUSG-HXUWFJFHSA-N	526.575	2.884	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1ccccc1Cl	408952359	OAIVXRRDETVNRP-JXTZEJCMSA-N	502.955	2.861	30	40	KFEB	
C#CCOc1c(I)cc(/C=N/N[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OC	408959322	ZFXALUHAJGEKFX-BWABIVLKSA-N	678.480	2.832	30	40	KFEB	
C=C1[C@@H](O)[C@H]2/C=C/C[C@@H](C)C(=O)[C@](C)(O)/C=C/[C@@H](OC(C)=O)[C@]23C(=O)N[C@H](Cc2ccccc2)[C@@H]3[C@H]1C	101195028	SDZRWUKZFQQKKV-ANZJQRAXSA-N	507.627	2.917	30	40	KFEB	
COC(=O)c1[nH]c(C)c(/C(O)=C2\C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cc(OC)ccc2OC)c1C	102882144	BDUVGIAOYSUKEN-ZZIWUOEGSA-N	541.601	2.579	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C\c1cc(I)cc(OC)c1OCC#N	408956586	RNLZGNLRSGDLQN-PAMIDSDESA-N	679.468	2.723	30	40	KFEB	
CCN(CC)S(=O)(=O)c1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccco2)cc1	26779479	PUOSVIJKNDZBPF-HSZRJFAPSA-N	531.631	2.611	30	40	KFEB	
CCOC(=O)c1ccc(NC(=O)C[C@@H]2S/C(=N\N=C\c3ccc(OC)c(OC)c3C(=O)O)NC2=O)cc1	97968121	QADRJBXRBBLTFW-BIXBROTJSA-N	528.543	2.529	30	40	KFEB	
N#Cc1ccnc(N2CCN(C(=O)c3cc(I)cc(I)c3O)CC2)c1	102822842	GDOAHBUAZLUSGA-UHFFFAOYSA-N	560.133	2.830	30	40	KFEB	
COc1ccc2[nH]c3c(=O)n(/N=C/c4ccc(OC)c(CN5C(=O)c6ccccc6C5=O)c4)c(=O)[nH]c3c2c1	2212967	CFCHTQKSKAHVNF-VFLNYLIXSA-N	523.505	2.867	30	40	KFEB	
CCN1C(=O)[C@@]2(C(C(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)=C(O)C(=O)N2CCCN(C)C)c2ccccc21	98046919	HYBKUDDUBZEFCD-LJAQVGFWSA-N	566.680	2.522	30	40	KFEB	
CCCN1C(=O)[C@@]2(/C(=C(\O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2C[C@@H]2CCCO2)c2ccccc21	102892347	WDRGODIXEQAUIA-FDTLFURCSA-N	504.539	2.969	30	40	KFEB	
COCCN1C(=O)C(O)=C(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@@H]1c1ccc(Cl)cc1	9308533	IAWMUVLYXNSTDV-NRFANRHFSA-N	520.991	2.586	30	40	KFEB	
COC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCC#N)c3)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC	408941736	KEQSWSMYJAXRBE-ZRELAVNMSA-N	509.971	2.973	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C\c1cc(Br)cc(OC)c1OCC#N	408951308	NAVJBHNMXOFXLQ-PAMIDSDESA-N	632.468	2.881	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1cc(I)c(OCC(=O)OC)c(OCC)c1	408955980	RCAJATMQMOYOEO-ANXAOISFSA-N	726.521	2.762	30	40	KFEB	
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1OC	8858449	GFEVUCPXXRNLGX-HSZRJFAPSA-N	511.531	2.913	30	40	KFEB	
CN/N=C(/C(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H](c1cnc2ccc([N+](=O)[O-])cc2n1)[N+](=O)[O-]	103844584	KKNHFQQLPYQEGG-AKBIMGJMSA-N	522.356	2.997	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1ccc(SC)cc1	408959207	YSOZKPQYCXGRRZ-UKQVIMOZSA-N	514.604	2.929	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1cc(Cl)c(O)c(OC)c1	408959456	ZSLBYJBBBWZGMX-UWHXHJIVSA-N	548.980	2.575	30	40	KFEB	
COC(=O)C[C@H](c1c(O)ccc2c1O/C(=C/N1CCOCC1)C2=O)c1coc2ccc(OC)cc2c1=O	1081803917	QGASXIAVYTZGEM-KOWBDXASSA-N	507.495	2.951	30	40	KFEB	
C=CCN1C(=O)[C@]2(C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2CCCN2CCOCC2)c2ccccc21	24147256	CSGXULONNRXZTH-SSEXGKCCSA-N	531.609	2.991	30	40	KFEB	
C#CCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)sc2cc(S(N)(=O)=O)ccc21	100875771	TWRBQCAPNKIQQL-RFBIWTDZSA-N	554.675	2.545	30	40	KFEB	
O=C(COc1ccccc1)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1cccc(I)c1	101317744	LRDXONWAOABDIN-GFGLJSBJSA-N	528.393	2.972	30	40	KFEB	
CCOc1cccc(/C=N\N[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)c1	408943700	GAGCXIUFXCOVGK-HNXJIWDESA-N	512.563	2.606	30	40	KFEB	
O=C(COc1c(Cl)cc(C=Nn2c(O)nc3ccccc3c2=O)cc1Br)N1CCOCC1	409343995	IKXTZDXAURXIIX-UHFFFAOYSA-N	521.755	2.638	30	40	KFEB	
CCOc1cc(/C=N/NC(N)=S)cc(Br)c1OS(=O)(=O)c1cccc([N+](=O)[O-])c1	408755795	NBCBRGYTPRFATM-DJKKODMXSA-N	503.356	2.691	30	40	KFEB	
CCOC(=O)Cn1cc(/C=N\N[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)c2ccccc21	408939344	BERIPWOIIPVTOZ-QSQIAPDXSA-N	593.637	2.725	30	40	KFEB	
C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1	1816996	MRDLEHZVMNYDFB-DLBLZJNESA-N	506.580	2.990	30	40	KFEB	
O=C(C1=C(O)C(=O)N([C@@H]2CCS(=O)(=O)C2)[C@H]1c1ccc(Cl)cc1)c1ccc(S(=O)(=O)N2CCCC2)cc1	98048203	SZLRCAOLEKDEPJ-KNQAVFIVSA-N	565.069	2.890	30	40	KFEB	
C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)cc1	1748979	OWTWUTYIWKPQLV-GJFKPFFXSA-N	534.590	2.907	30	40	KFEB	
CCOC(=O)[C@@H]1/C(=N/NS(=O)(=O)c2ccc(C)cc2)C[C@](C)(O)[C@@H](C(=O)OCC)[C@@H]1c1ccc(N(C)C)cc1	100239201	LLYBBIGZKVTSAO-ZSMDELOCSA-N	559.685	2.992	30	40	KFEB	
COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1OC	100255238	SGLFZCAXJBMUKK-XMMPIXPASA-N	542.585	2.640	30	40	KFEB	
COc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCN2CCOCC2)c1OC	8827755	YAEGXPLQVPJNJK-XMMPIXPASA-N	524.570	2.776	30	40	KFEB	
COc1ccc(OC)c(N2/C(=N\C(=O)Cc3ccc(OC)c(OC)c3)S[C@H]3CS(=O)(=O)C[C@@H]32)c1	101304686	MFEVAZAYWCRNSA-YQUDVVSFSA-N	506.602	2.565	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C\c1c(C)n(CC#N)c2ccccc12	408946915	IXPMQUOWXFNDJA-AYUSUKFDSA-N	560.611	2.994	30	40	KFEB	
COc1cc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c(Br)c(Br)c1OCC(=O)O	409409516	VYSBZMWYBCFGLO-LBLXLQPISA-N	528.153	2.825	30	40	KFEB	
COc1cc(OC)c2c(c1Cl)O[C@]1(C2=O)C(O)=C([C@H](CC(=O)N[C@@H](C)C(N)=O)c2ccc3c(c2)OCO3)C(=O)C[C@H]1C	1547208817	XYWFFYNOPTZWFM-SKJNLEQESA-N	601.008	2.985	30	40	KFEB	biogenic
CC(C)(O)/C=C/C(=O)[C@](C)(O)[C@@H]1[C@H](O)C[C@]2(C)[C@@H]3CC=C4[C@H](C[C@@H](O)C(=O)C4(C)C)[C@@]3(C)C(=O)C[C@]12C	1569983389	SRPHMISUTWFFKJ-SVBZIVHESA-N	516.675	2.929	30	40	KFEB	
C=CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC)c(OC)c2)C(C(=O)OC)=C(C)N=3)cc1	1788900	JLWNGFBKLDCPJK-IGSWSUAKSA-N	506.580	2.990	30	40	KFEB	
C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3OC)c(=O)n2[C@@H]1c1ccc(OC(C)=O)cc1	1794623	COYJLIKTQABEEY-DLBLZJNESA-N	534.590	2.907	30	40	KFEB	
CCOc1cc(Br)c(N2/C(=N\C(=O)CCC(=O)O)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1OCC	101311172	UEHXFUMOLHVBEV-ZLEHLFEZSA-N	535.438	2.713	30	40	KFEB	
CC(=O)N[C@H]1[C@H](Oc2ccccc2/C=C/C(=O)c2ccccc2)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	102325685	ILINQWHEYARYON-LILZYHJWSA-N	553.564	2.618	30	40	KFEB	
C=CCOc1ccc([C@H]2NC(=O)N[C@](O)(C(F)(F)F)[C@H]2C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1	102618853	RBZFHZPRCFJKRC-WOIUINJBSA-N	527.521	2.606	30	40	KFEB	
C#C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N\OCC(=O)N5C[C@H](O)C[C@H]5C(=O)OC)CC[C@]4(C)[C@H]3CC[C@@]21C	118918912	KWFXBLQFMPZAOR-FSQKVHFCSA-N	512.647	2.821	30	40	KFEB	
CC(C)(CC(=O)O)CC(=O)OCC(=O)[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@H](O)C[C@@]21C	118929965	RLELKNVPYJNKPC-IITBGHJMSA-N	502.604	3.000	30	40	KFEB	
C=CCc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccc4c(c2)OCO4)C(C(=O)OCC)=C(C)N=3)ccc1O	408995005	KMTMUEOGQCWPMR-SEXPAEGTSA-N	504.564	2.961	30	40	KFEB	
COc1cccc([C@@H]2/C(=C(\O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCCN2CCOCC2)c1OC	102696908	LRSRVHWDTQFOMU-SBXHHDGASA-N	524.570	2.619	30	40	KFEB	
O=C(Oc1cccc(/C=N/Nc2nc(N3CCCC3)nc(N3CCOCC3)n2)c1)c1ccc([N+](=O)[O-])cc1	408724562	LZEIHOOPLSESAJ-YZSQISJMSA-N	518.534	2.882	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1cccc(I)c1	408958958	XOWWCWYZCHURAV-GKIICUKPSA-N	594.406	2.812	30	40	KFEB	
C=CCn1c(CNC(=O)c2ccc(OC)c(OC)c2)nnc1SCC(=O)Nc1ccccc1C(=O)OC	10041269	ANCFYWZOKUSDSQ-UHFFFAOYSA-N	525.587	2.929	30	40	KFEB	
Cc1c(/C=C2\SC(=S)N(Cc3ccccc3Cl)C2=O)c(N2CCN(CCO)CC2)n(C)c(=O)c1C#N	100912961	CJUABISZNAOPOD-BKUYFWCQSA-N	544.102	2.735	30	40	KFEB	
C=CCOc1ccc(/C=N/N[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1	408946104	IFCIILXLZHPXLN-BXLJIYODSA-N	524.574	2.772	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1cc(Cl)c(OCC(=O)O)c(Cl)c1	408944066	GGBNDPWQBGHXPK-JYBPRLPFSA-N	611.435	2.977	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1c(C)[nH]c2ccccc12	408955599	QRJWTILDFLTVAA-GPSDBIQVSA-N	521.574	2.997	30	40	KFEB	
CCOc1cc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc(I)c1O[C@@H](C)C(=O)OC	409402697	FUUDARHGCSBNON-TUEPYVCHSA-N	538.338	2.771	30	40	KFEB	
C=C1C(=O)[C@@]23[C@@H]([C@@H](OC(C)=O)C[C@@H]1[C@H]2OC(C)=O)[C@@]12CCC[C@@](C)(CO[C@H]1OC(C)=O)[C@H]2C[C@H]3OC(C)=O	4268213	PKAQCABUOJRSOE-MRHIPFTMSA-N	532.586	2.659	30	40	KFEB	
CC(C)(C)OC(=O)NCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Br)cc1	32635166	OBFDVIHITAPEHO-NWCBFNCISA-N	504.428	2.575	30	40	KFEB	
COCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@H]1c1cccc(Cl)c1	102890489	IDWCQAWEANFPEX-HOGKFDNTSA-N	535.018	2.819	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1ccccc1Br	408938524	AOLXUPNXPKHFGN-GKIICUKPSA-N	547.406	2.970	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1cc(I)c(OCC(=O)O)c(OCC)c1	408950758	MOKQGCGYTGYZPL-NQVRMTPQSA-N	712.494	2.674	30	40	KFEB	
C#CCOc1ccccc1/C=c1\sc2n(c1=O)[C@@H](c1cc(OC)c(OC)c(OC)c1)C(C(=O)OCC)=C(C)N=2	103788030	HQFHMADHKSLPLG-ZDQFFALBSA-N	548.617	2.836	30	40	KFEB	
C#CCOc1c(I)cc(/C=C2\C(=O)NC(=S)N(CC=C)C2=O)cc1I	408902265	GPAHMSGFGUTOJE-YRNVUSSQSA-N	578.169	2.721	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C\c1cn(C)c2ccccc12	408951874	NMVIMOYIZKVVPR-ZIYLOLFDSA-N	521.574	2.699	30	40	KFEB	
C#CCOc1c(I)cc(/C=C2/NC(=O)N(CC)C2=O)cc1I	409172749	HZQQSMIUCGLMOH-XYOKQWHBSA-N	522.080	2.820	30	40	KFEB	
C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@@]2(O)C(=O)COC(=O)CCC(=O)NCc1ccncc1	118920345	XDXIGUCJSZNBRG-BGYASFNKSA-N	550.652	2.600	30	40	KFEB	
C=CCOc1c(I)cc(/C=C2/NC(=O)N(CC(=O)OC)C2=O)cc1I	408548283	FSKQFTMYDJUBCX-KPKJPENVSA-N	568.105	2.526	30	40	KFEB	
C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4cccc(OCC(=O)O)c4)c(=O)n32)cc1	408854263	BCOHCOSBEWDNDJ-GMPUOFRTSA-N	534.590	2.827	30	40	KFEB	
COC(=O)c1ccc([C@@H]2C3=C(C[C@@H](C)[C@]4(Oc5c(Cl)c(OC)cc(OC)c5C4=O)C3=O)Nc3c2c(=O)n(C)c(=O)n3C)cc1	524731714	IKZMMCYCITTXSB-HPUDTIQQSA-N	622.030	2.976	30	40	KFEB	biogenic
O=S(=O)(c1cc(S(=O)(=O)C(F)(F)F)c(S)c(S(=O)(=O)C(F)(F)F)c1)C(F)(F)F	627280113	MMEPRGYIOIMUJO-UHFFFAOYSA-N	506.367	2.856	30	40	KFEB	
C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(C)C)cc3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)cc1	1818426	PJHKJCPQBXWHFC-QKSFETHESA-N	517.607	2.956	30	40	KFEB	
COc1cc(Br)c(Br)c(/C=N/Nc2nc(N3CCCC3)nc(N3CCOCC3)n2)c1O	8386314	CFDGMKBFBBWECN-SSDVNMTOSA-N	557.247	2.994	30	40	KFEB	
CCOc1cc(Br)c(N2/C(=N\C(=O)CCC(=O)O)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1OCC	101311171	UEHXFUMOLHVBEV-OMJPZRMPSA-N	535.438	2.713	30	40	KFEB	
COC(Cn1c(SCC(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCCCN3)c2)nnc1-c1cccc(S(=O)(=O)N(C)C)c1)OC	97979341	YPRQUABHLFGVPI-UHFFFAOYSA-N	679.847	2.796	30	40	KFEB	
C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)OCC(=O)N[C@@H]2CCS(=O)(=O)C2)ccc1Cl	103078293	HBWSVBFIVUAMBL-QGZVFWFLSA-N	561.465	2.835	30	40	KFEB	
CCCCCCC[C@H](Oc1cc(O)c2c(=O)c(-c3ccc(O[C@@H]4O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]4O)cc3)coc2c1)C(=O)OC	104823948	MPYCQJDTFYUOKP-XVBAGWDUSA-N	602.633	2.625	30	40	KFEB	
COC(=O)[C@@H]1C[C@H](O)CN1C(=O)CO/N=C1/C=C2CC[C@H]3[C@@H]4CC[C@](O)(C(C)=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1	118918469	CJKRIXOGACCXAJ-WPFCNWONSA-N	530.662	2.777	30	40	KFEB	
CO[C@H]1C[C@H](O[C@@H]2CC[C@]3(C#N)[C@H]4CC[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@]5(O)[C@H]4CC[C@]3(O)C2)O[C@H](C)[C@H]1O	257199027	PQYWNPQSYWMPGQ-KADXQMRGSA-N	545.673	2.758	30	40	KFEB	
C#CCOc1c(I)cc(/C=C2/NC(=O)N(CC=C)C2=O)cc1I	409125805	ACQZDCGUBNYYLM-UKTHLTGXSA-N	534.091	2.987	30	40	KFEB	
COC(=O)[C@@H]1C[C@H](O)CN1C(=O)CO/N=C1\C=C[C@@]2(C)C(=C1)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O	12296270	RSSJAWQURRUEQB-QMPONCCHSA-N	500.636	2.984	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1ccc(O)c(Br)c1	408949393	LLGPXQAJBQTXOB-SKALTOFESA-N	563.405	2.675	30	40	KFEB	
CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)N(OC(C)=O)c4ccccc43)c(=O)n2[C@@H]1/C=C/c1ccccc1	6544995	YYESEHPWKDQTGT-JKZHCRLBSA-N	529.574	2.658	30	40	KFEB	
COc1c(/C=N/Nc2nc(Nc3ccc(F)cc3)nc(N3CCOCC3)n2)cc([N+](=O)[O-])cc1[N+](=O)[O-]	408720870	GOWKOBLYACXRFT-FSJBWODESA-N	513.446	2.862	30	40	KFEB	
CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cccc(OCC#N)c4)c(=O)n32)cc1OCC	408945948	OIPYDDXCBOZXSD-AKKXDVJXSA-N	519.579	2.718	30	40	KFEB	
COc1cc(OC)c2c(c1Cl)O[C@@]1(C(=O)/C(=C/NCCC(=O)N3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)C(=O)C[C@H]1C)C2=O	1547138475	BAGTVCNJJAIJMS-IYBNGJMISA-N	610.063	2.520	30	40	KFEB	
COCCN1C(=O)C(O)=C(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)[C@H]1c1ccc(O)cc1	9328731	VUQYVEBIAQMDQG-JOCHJYFZSA-N	500.573	2.792	30	40	KFEB	
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cc(OC)c(OC)c(OC)c2)c(O)c1	20309797	LEOQHLPRPXUVKZ-JOCHJYFZSA-N	500.548	2.957	30	40	KFEB	
C#C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@@H](C(=O)N[C@H](C(=O)O)[C@H](C)O)C(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C	217346229	KADOLKXSZIQGGJ-ZSZWRCJUSA-N	585.742	2.777	30	40	KFEB	
C=CCN(CC=C)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3cc(S(N)(=O)=O)ccc3n2CC=C)cc1	100874757	OZLKGHPLMUZCOP-BZZOAKBMSA-N	532.669	2.640	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C\c1cc(Cl)ccc1OCC#N	408945449	HOHBJUNXQLCKIT-RLWAIIQZSA-N	557.991	2.763	30	40	KFEB	
O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1cc(I)cc(I)c1O)[C@H]1C=C[C@H]2C1	408725070	IRYWWIXGKHFFGB-BQBDHOIASA-N	534.091	2.742	30	40	KFEB	
C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)c(OC)c3)c(=O)n2[C@H]1c1ccccc1	2208872	IERFYHPUFOJJOG-FCKOQQNDSA-N	504.564	2.898	30	40	KFEB	
C[C@@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O	150405307	DFRXHIAUDQUDMM-BAXVHHAFSA-N	719.832	2.911	30	40	KFEB	
CCC(=O)O[C@]1(C(=O)COS(C)(=O)=O)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@H](O)C[C@@]21C	140393521	LJIXIWVFIFXMTE-RNFDFXKYSA-N	526.623	2.841	30	40	KFEB	
CC(C)C[C@@H](NC(=O)[C@@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@@]21C)C(C)C)C(=O)O	217347025	NHWZGIMDIXDYFH-FBUHLWNYSA-N	674.832	2.869	30	40	KFEB	
CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)CN1CCOCC1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[C@]1(C)CO1	255964762	BLMPQMFVWMYDKT-HVJIHPKFSA-N	719.924	2.584	30	40	KFEB	
CCOc1ccc(CNC(=S)N/N=C/c2ccc(O[C@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)c(OC)c2)cc1	97956253	LMEYGSGIHMKOPL-OTLWRKMPSA-N	689.740	2.554	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C\c1cc(Br)c(OC)c(OC)c1	408941211	CNCQCFLLODNOFO-IRPDQSHZSA-N	607.458	2.987	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C\c1ccc(OC(C)=O)c(Br)c1	408957057	SAWCCZWBUXEBRR-RQIQZXEBSA-N	605.442	2.895	30	40	KFEB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OCC#N)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1	409346487	OLWDVKIOHRWQFH-YJADQXIJSA-N	518.551	2.917	30	40	KFEB	
O=C(COc1c(Br)cc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1Br)N1CCOCC1	409408259	XCYCQYZXUXSFEQ-KODHJQJWSA-N	567.234	2.590	30	40	KFEB	
COc1ccc(CCN2/C(=N\C(=O)Cc3ccc(OC)c(OC)c3)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1	101302900	KQANKBAJZFRKMG-XZVAGURUSA-N	504.630	2.595	30	40	KFEB	
COc1cc(/C=N\Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)ccc1OC(=O)c1cccc(Br)c1	103429483	JYJZHHNMCLMXQF-QRQIAZFYSA-N	598.458	2.981	30	40	KFEB	
CCOC(=O)[C@@H]1/C(=N/NS(=O)(=O)c2ccc(C)cc2)C[C@](C)(O)[C@@H](C(=O)OCC)[C@H]1c1ccc(OC)c(O)c1	100239161	HQHWFPSAJVRMRN-VTMKDEOYSA-N	562.641	2.641	30	40	KFEB	
COc1cc(OC)c2c(c1Cl)O[C@@]1(C(=O)C3=C(C[C@H]1C)Nc1c(c(=O)n(C)c(=O)n1C)[C@@H]3c1cccc(O)c1)C2=O	524731016	GUYRXCNMHMZTSS-YXUSKKHYSA-N	579.993	2.895	30	40	KFEB	biogenic
C=CCOc1ccc(/C=C/C(=O)N(C)CC(=O)N(CC(C)C)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)cc1	32971957	RZOCWVXEMHCGFA-JLHYYAGUSA-N	511.623	2.500	30	40	KFEB	
CC[C@H]1OC(=O)C[C@@H](O)[C@@H](C)[C@@H](O[C@H]2O[C@@H](C)C[C@@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)C(=O)/C=C\[C@]2(C)O[C@@H]2[C@H]1C	101056546	IUPCWCLVECYZRV-FFNADFBKSA-N	581.747	2.670	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1ccc(SC)cc1	408959206	YSOZKPQYCXGRRZ-SRAHDCGTSA-N	514.604	2.929	30	40	KFEB	
N#CCCN(Cc1cccnc1)Cn1nc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)oc1=S	14360533	FCNAEHAXPVADDQ-UHFFFAOYSA-N	500.606	2.662	30	40	KFEB	
O=C(C[C@@H]1S/C(=N/c2ccc(S(=O)(=O)N3CCOCC3)cc2)N(C[C@H]2CCCO2)C1=O)Nc1ccccc1	195557997	XAZJTXALIDBVNA-HITYTCERSA-N	558.682	2.847	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C\c1cn(CC#N)c2ccccc12	408946331	IOEATBINOGCJGU-ROVNBSOASA-N	546.584	2.685	30	40	KFEB	
C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@@]2(O)C(=O)COC(=O)CCC(=O)NCCc1ccc(O)c(O)c1	118920851	NLCKTSCVJVRAIX-XTPJQGDPSA-N	595.689	2.659	30	40	KFEB	
C=C(CCCCCCCCC)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@@H](O)[C@H]1OP(=O)(O)O	263606643	RCLFDFMKMOJNRC-GPKGDWGFSA-N	961.859	2.752	30	40	KFEB	
C#CCOc1c(I)cc(/C=N/N[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OC	408959323	ZFXALUHAJGEKFX-NUQBMMRGSA-N	678.480	2.832	30	40	KFEB	
C=CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)nnc1[C@@H](CO)NC(=O)c1ccc(OC)cc1	110477096	QJVSZHDQVSANML-HXUWFJFHSA-N	526.575	2.884	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1cc(Br)cc(OC)c1O	408957222	SKVODJIPBBHPCK-UWHXHJIVSA-N	593.431	2.684	30	40	KFEB	
C[C@@H](O)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OCC(=O)/C=C1/N(C)c2ccccc2C1(C)C	14359742	ZHTRCDTVRSTHJY-WBXJLNMSSA-N	507.008	2.792	30	40	KFEB	
CCCN1C(=O)[C@]2(C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCN2CCOCC2)c2ccccc21	98046828	FSCOEFXFNPAZDZ-SSEXGKCCSA-N	547.608	2.669	30	40	KFEB	
COc1ccc(/C(O)=C2\C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1C	102864894	FEOUJKKFDGCYQG-NXLSWJSLSA-N	526.586	2.783	30	40	KFEB	
CCOC(=O)COc1c(Br)cc(/C=N\N[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1[N+](=O)[O-]	408954343	PKROGVICCRQBNA-RLHUFVPHSA-N	694.492	2.820	30	40	KFEB	
C=C1[C@H](O)[C@@]2(O)OC[C@]34[C@@H]2[C@@]2(C)[C@H](O)C(=O)C=C(C)[C@@H]2C[C@H]3OC(=O)[C@H](OC(=O)C/C=C(/C)CCCCC)[C@H]14	104236829	JNBOCJQZCHEASA-UKOKEFFASA-N	544.641	2.525	30	40	KFEB	
CCOc1ccc(/C=N/N[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1	408945319	HJDCMYDOPSSTKC-BSEHWYNJSA-N	512.563	2.606	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C\c1cc(Br)cc(OC)c1OC	408948660	KWKBUKCFRXNNAP-IRPDQSHZSA-N	607.458	2.987	30	40	KFEB	
C=CCN(CC=C)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCN(C(=O)OCC)C3)cc1	4177831	SCPMQNBWKKHMFG-UHFFFAOYSA-N	532.644	2.977	30	40	KFEB	
CCN1C(=O)[C@@]2(/C(=C(\O)c3cc4ccccc4o3)C(=O)C(=O)N2CCN2CCOCC2)c2ccccc21	102604890	DLLJWVPXJSEYJF-PWBNPAGMSA-N	501.539	2.707	30	40	KFEB	
Nc1cc(S(=O)(=O)O)cc2c1C(=O)/C(=N/Nc1ccc(-c3ccc(N/N=C4\C(=O)c5c(N)cc(S(=O)(=O)O)cc5C=C4S(=O)(=O)O)cc3)cc1)C(S(=O)(=O)O)=C2	195802908	CAYKRNRJWGOQFB-UBRDZIHCSA-N	844.840	2.798	30	40	KFEB	
CCOC(=O)N1CCN(c2nc3ccccc3nc2[C@@H](C#N)C(=O)NCCc2ccc(OC)cc2)CC1	9191744	WSWCSSOKNSFYMI-OAQYLSRUSA-N	502.575	2.883	30	40	KFEB	
C=CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OC)c(=O)n2[C@@H]1c1ccc(OC(C)=O)cc1	16676634	DCKQMKAJDJFGDE-WLGHQHAYSA-N	504.564	2.898	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1ccc(SC)cc1	408959204	YSOZKPQYCXGRRZ-ASVXZCSJSA-N	514.604	2.929	30	40	KFEB	
CS(=O)(=O)O[C@H]1[C@@H](OC(=O)c2ccccc2)[C@H](COC(=O)c2ccccc2)O[C@@H]1OC(=O)c1ccccc1	5341349	VZIXNTWOWQCRAQ-RNLGNXJRSA-N	540.546	2.996	30	40	KFEB	
CC(=O)OC[C@@H]1O[C@@H](n2c(O)c(C#N)c(-c3ccccc3)c(C#N)c2=S)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	5540761	WAQNEQMHDHKLFT-ZNCFFGBLSA-N	583.575	2.589	30	40	KFEB	
CN(C)c1ccc(/C=N/NC(=S)NCCCN2CCN(CCCNC(=S)N/N=C/c3ccc(N(C)C)cc3)CC2)cc1	22037295	RCHWVVXJEGAMLH-IENBMRAWSA-N	610.902	2.513	30	40	KFEB	
COc1ccc(N2/C(=N\C(=O)Cc3ccc(OC)c(OC)c3)S[C@@H]3CS(=O)(=O)C[C@@H]32)c(OC)c1	101312796	QRIAUSZYOSFMHH-BHIIIBOVSA-N	506.602	2.565	30	40	KFEB	
C=CCN(/C=C1/C(=O)O[C@H](COC)[C@]2(C)C3=C(C(=O)C(=O)[C@H]12)[C@@H]1CCC(=O)[C@@]1(C)C[C@H]3OC(C)=O)CC=C	169685806	FXLQTCWYUQYUQR-ZXVRCLOXSA-N	525.598	2.508	30	40	KFEB	in-vitro
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1ccc(OC(C)C)cc1	408956655	RQFFCHFOYAEBAH-FZEVWGAESA-N	526.590	2.994	30	40	KFEB	
COc1ccc(NS(=O)(=O)c2ccc(Cl)c(N/N=C(/C(C)=O)C(N)=O)c2)cc1Br	13145936	LEIJJMHYQSQJRI-JWGURIENSA-N	503.762	2.754	30	40	KFEB	
C=CCN(c1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)cc1)S(C)(=O)=O	22509965	FDISEUSHLVMTBG-UHFFFAOYSA-N	501.590	2.790	30	40	KFEB	
C[C@@H]1CO[C@H](NC(=O)C(F)(F)C(F)(F)C(F)(F)F)[C@H](NC(=O)C(F)(F)C(F)(F)C(F)(F)F)O1	100035299	WUKGAAKKFUAUEK-MROZADKFSA-N	524.205	2.972	30	40	KFEB	
O=C(O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCCC(=O)N1Cc2ccccc2C#Cc2ccccc21	575408832	XFJHXMXTEHCPAB-UHFFFAOYSA-N	949.101	2.520	30	40	KFEB	
CO[C@@H]1O[C@@H](COS(=O)(=O)c2ccc(C)cc2)[C@H]2OC(C)(C)O[C@@H]2[C@@H]1OS(=O)(=O)c1ccc(C)cc1	104148706	SILDFMCCOWIZCF-MFKCLSPESA-N	542.628	2.674	30	40	KFEB	
CCOc1ccc([C@H]2C(C(=O)c3c(C)[nH]c(C(=O)OC)c3C)=C(O)C(=O)N2CCN2CCOCC2)cc1	20280769	ZSRBTBSMCCFCJI-QHCPKHFHSA-N	511.575	2.727	30	40	KFEB	
C#CCOc1c(I)cc(/C=N/N[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OC	408959325	ZFXALUHAJGEKFX-VLBYHXBISA-N	678.480	2.832	30	40	KFEB	
CS(=O)(=O)N(CCC#N)Cc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)o1	2177516	KOHMYUCPOUCWOB-GZTJUZNOSA-N	537.417	2.549	30	40	KFEB	
COc1ccc2[nH]cc(CCN/C(=N\C(=O)CSc3nnc(N)s3)Nc3nc(C)cc(C)n3)c2c1	18063619	OIOBUFILZAMUCQ-UHFFFAOYSA-N	511.637	2.936	30	40	KFEB	
Cc1c(/C(O)=C2\C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cnn1-c1ccccc1	102932908	YUQSCMWVIAWIAI-SBXHHDGASA-N	517.542	2.843	30	40	KFEB	
C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)S/C1=N/c1ccc(S(=O)(=O)N2CCOCC2)cc1	102961177	XWTBRGXMMWSWFQ-RTGZZVAKSA-N	532.619	2.993	30	40	KFEB	
C=CCN(c1ccccc1OC)S(=O)(=O)c1cccc(C(=O)O[C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)c1	103080150	PGZOPUIMMYHHJS-GOSISDBHSA-N	573.649	2.908	30	40	KFEB	
CCOC(=O)[C@H](C)Oc1c(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc(Br)cc1[N+](=O)[O-]	409405579	HYEGSHYOZGVFDT-UKTVDESPSA-N	506.309	2.829	30	40	KFEB	
COCCOC(=O)C1=C(N)OC2=C(C(=O)Cc3ccccc32)[C@]12C(=O)Nc1ccc(Br)cc12	12656634	PWCYNPORRMUHAH-DEOSSOPVSA-N	511.328	2.566	30	40	KFEB	biogenic
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NCc1ccncc1	70698278	ROQCYJKALZMEFU-QBRHEHFTSA-N	552.668	2.824	30	40	KFEB	biogenic
COC(=O)c1[nH]c(C)c(/C(O)=C2\C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(Br)cc2)c1C	102925289	NOHRUHLJEMINNX-PGVNHDJNSA-N	546.418	2.935	30	40	KFEB	
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@]23C(=O)N(C)c2ccccc23)cc1	20443882	XGPGOMNGHLFJSE-LJAQVGFWSA-N	519.598	2.907	30	40	KFEB	
C=CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(C)=O)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC(C)=O)cc1	97968865	ITVVMTAZXZRDQR-GVMLUORFSA-N	562.600	2.824	30	40	KFEB	
CCCCCN(C(=O)CCC(=O)O[C@H](C)C(=O)Nc1cccc(C#N)c1)c1c(N)n(CCCC)c(=O)[nH]c1=O	38140797	AXYCQGOVEVHMJM-GOSISDBHSA-N	540.621	2.664	30	40	KFEB	
C=CCOc1ccc([C@H]2/C(=C(\O)c3ccc(S(=O)(=O)N(C)C)cc3)C(=O)C(=O)N2CCOC)cc1	102895020	ZPTOIEJIYJLQSL-MOBKVPTQSA-N	500.573	2.570	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C\c1cc(Br)cc(OC)c1OC	408948653	KWKBUKCFRXNNAP-BNFQWOKNSA-N	607.458	2.987	30	40	KFEB	
CCOC(=O)COc1ccc(/C=N/N[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1I	408937968	AGSOUKKDIWKNNR-DSLIHSBLSA-N	696.495	2.754	30	40	KFEB	
O=C1[C@H]2[C@H]3C=C[C@H]([C@H]2C(=O)N1/N=C/c1cc(I)c(O)c(I)c1)[C@@H]1C[C@@H]31	409035114	PGJDCZNQKCKXIM-FKEGGHQTSA-N	560.129	2.988	30	40	KFEB	
CCOc1cc(C=Nn2c(CC)nc3ccc(Br)cc3c2=O)cc([N+](=O)[O-])c1OCC(N)=O	409279839	KBOULCZOHNBPEI-UHFFFAOYSA-N	518.324	2.775	30	40	KFEB	
CO[C@H]1[C@H](O)[C@@H](O[C@H]2CC[C@@]3(C=O)[C@@H](CC[C@@H]4[C@H]3CC[C@]3(C)[C@@H](c5ccc(=O)oc5)CC[C@]43O)C2)O[C@@H](C)[C@H]1O	253498725	NYOVJCZRJINYSI-FKNNQSPMSA-N	560.684	2.927	30	40	KFEB	biogenic
COc1cc(/C=N/NS(=O)(=O)c2ccc(C)cc2)ccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1	408760890	ARUUEQXFCVHLER-HYARGMPZSA-N	505.530	2.992	30	40	KFEB	
COc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H]1CC(=O)N=C(N/N=C/c2cc(OC)c(OC)c(OC)c2)S1	8984007	BHHXSWNSMIBSEX-RIDKEVFESA-N	517.520	2.580	30	40	KFEB	
CN1/C(=C\C(=O)COC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)C(C)(C)c2ccccc21	12617680	FVMJCDGXOPCHKK-UCQKPKSFSA-N	502.564	2.884	30	40	KFEB	
C#C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N\OCC(=O)N[C@H](CCC(N)=O)C(=O)O)CC[C@]4(C)[C@H]3CC[C@@]21C	118917685	RKAXLDHTTPHZOB-KRYJRVESSA-N	513.635	2.521	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C\c1cn(C)c2ccccc12	408951868	NMVIMOYIZKVVPR-VDODVPKASA-N	521.574	2.699	30	40	KFEB	
COC1=C2C[C@H](C)C[C@H](OC)[C@H](O)[C@H](C)/C=C(\C)[C@H](OC(=N)O)[C@@H](OC)/C=C/C=C(\C)C(=O)NC(=C(O)C1=O)C2=O	514287996	JBGGGJXLNZQZKM-HGADLEAYSA-N	576.643	2.708	30	40	KFEB	biogenic,in-vitro
CCN(Cc1ccccc1)c1ccc(/C=c2/s/c(=C(/C#N)C(=O)NCCN3CCOCC3)n(-c3ccccc3)c2=O)cc1	105752862	OPIKYSGWOJHQEZ-ILXVGVIOSA-N	593.753	2.877	30	40	KFEB	
CCOC(=O)Cn1cc(/C=N\N[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)c2ccccc21	408939342	BERIPWOIIPVTOZ-AZYZPNGUSA-N	593.637	2.725	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1ccc(Br)cc1	408943429	FQSMJPPLZGRZOU-JXTZEJCMSA-N	547.406	2.970	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1ccc(N2CCCCC2)o1	408946896	IXIKZIMIMIEPTI-HYISASTESA-N	541.605	2.790	30	40	KFEB	
C#CCOc1ccc(/C=N/N[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1I	408951848	NMIRHTKWOUBOJA-GCKFMUFSSA-N	648.454	2.824	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1ccc(OC)c(I)c1	408957628	UAXNVGINIXDANS-YBCQCJFKSA-N	624.432	2.820	30	40	KFEB	
C#CCOc1c(Br)cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc1[N+](=O)[O-]	409399008	GXSJYPRMMWJPCL-ZSOIEALJSA-N	504.249	2.842	30	40	KFEB	
COc1cc([C@H]2C(C(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)=C(O)C(=O)N2C[C@H]2CCCO2)ccc1O	1099081	CDYVWDBHKCWKSF-DVECYGJZSA-N	542.610	2.943	30	40	KFEB	
CCC1=C(O[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)C(=O)c2c(O)c(Cl)c(Cl)c(O)c2C1=O	79183223	CZUNPHDKOQTAAB-ZELDCSPKSA-N	633.386	2.547	30	40	KFEB	biogenic
C=CCOc1ccc(/C=N/N[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OC	408957424	SXUDEOMNJGEXRJ-WOEPFXTOSA-N	554.600	2.781	30	40	KFEB	
C#CCOc1c(I)cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1OC	409372517	LLEHEKXIWXAKCR-RIYZIHGNSA-N	506.252	2.567	30	40	KFEB	
CC(=O)O[C@@H]1CO[C@H](n2c(N)c(C#N)c(-c3ccccc3)c(C#N)c2=S)[C@H](OC(C)=O)[C@@H]1OC(C)=O	5540569	MGXBCCDROORAHJ-LPOZWGFCSA-N	510.528	2.534	30	40	KFEB	
CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N\OCC(=O)N[C@H](C(=O)O)[C@H](C)O)CC[C@]4(C)[C@H]3CC[C@@]21C	85902473	AIIRGQACJUSJNF-WRBXGPNGSA-N	504.624	2.592	30	40	KFEB	
N#Cc1cc2c(N)c(C(=O)Nc3ncc(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)s3)sc2nc1N	18227562	OVIVUMMWZRBTLO-UHFFFAOYSA-N	501.531	2.782	30	40	KFEB	
C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=C/C(=N/OCC(=O)N[C@@H](Cc5c[nH]c6ccccc56)C(=O)O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO	118919011	KLXRCIONDXDWCO-WYMQHHKJSA-N	621.731	2.879	30	40	KFEB	
COC(=O)[C@@]12Oc3cc(C)c(-c4ccc(O)c5c4O[C@]4(C(=O)OC)C(=C(O)C[C@H](C)[C@@H]4O)C5=O)c(O)c3C(=O)C1=C(O)CC[C@@H]2OC(C)=O	1772591695	LKWAXUZTSZEBDK-NCMNGAEISA-N	680.615	2.797	30	40	KFEB	
C#CCOc1c(Br)cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc1I	103856380	BEHONDQULSEAKE-UHFFFAOYSA-N	519.158	2.664	30	40	KFEB	
C#CCOc1c(I)cc(/C=C2/SC(=O)N(CC(=O)OCC)C2=O)cc1OC	205694568	QGKLQOIFSZROKT-NTEUORMPSA-N	501.298	2.911	30	40	KFEB	
C=C1[C@H]([C@]2(C)C=CC(=O)O[C@]3(C)COC(=O)C[C@@H]32)[C@H](OC=O)[C@H](OC(=O)[C@H](O)[C@H](C)CC)[C@]2(C)[C@H](c3ccoc3)C[C@H](OC(C)=O)[C@@]12O	254194565	ZZPUDABJUQWRTM-QKGBPSSMSA-N	672.724	2.924	30	40	KFEB	
CCOc1cccc(/C=N\N[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)c1	408943698	GAGCXIUFXCOVGK-DFHQVAGFSA-N	512.563	2.606	30	40	KFEB	
COC1=C2C[C@H](C)C[C@@H](OC)[C@@H](O)[C@H](C)C=C(C)[C@@H](OC(=N)O)[C@H](OC)C=CC=C(C)C(=O)NC(=CC1=O)C2=O	1085212493	QTQAWLPCGQOSGP-ASFOOSBQSA-N	560.644	2.822	30	40	KFEB	
C#CCOc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc1OC	408814249	OPKFSQZFXNAMQT-MHWRWJLKSA-N	532.290	2.987	30	40	KFEB	
C#CCOc1c(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc(Br)cc1[N+](=O)[O-]	409399674	KQSLFNUVXVEAHZ-ZSOIEALJSA-N	504.249	2.842	30	40	KFEB	
O=[N+]([O-])c1ccc(N/N=C/c2ccc(I)cc2)c(S(=O)(=O)N2CCOCC2)c1	9056337	RFGRQWHFKDPKKJ-XDHOZWIPSA-N	516.317	2.666	30	40	KFEB	
CCN1C(=O)[C@]2(C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2CCCN2CCOCC2)c2ccccc21	24192899	IHYIARNHFRIBFD-GDLZYMKVSA-N	519.598	2.825	30	40	KFEB	
COc1cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)cc(I)c1OCc1ccccc1C#N	408595031	VJSAERMOHWRAFT-FRKPEAEDSA-N	533.278	2.728	30	40	KFEB	
CCOC(=O)c1[nH]c(C)c(/C(O)=C2\C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cc(OC)ccc2OC)c1C	102926059	HHPRRXSHAJTGON-KQAPWQHSSA-N	555.628	2.969	30	40	KFEB	
CO[C@H]1C[C@H](O[C@H]2CC[C@]3(/C=N/CC#N)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)O[C@H](C)[C@H]1O	257198929	LWKAZUCECAEDKN-MRIGLLQZSA-N	586.726	2.829	30	40	KFEB	
CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cccc(OC)c4OCC#N)c(=O)n32)cc1OCC	408942785	LGBGTRTZNMZYOM-CRYHJCRISA-N	549.605	2.726	30	40	KFEB	
C#CCOc1c(/C=N\N[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc(Br)cc1OC	408945322	HJIPRDJDQPTTCN-AWQTYOERSA-N	631.480	2.990	30	40	KFEB	
CC1=C([S+]=C2C[C@@H](C(=O)N(C)C)N(C(=O)OCc3ccc([N+](=O)[O-])cc3)C2)/C(=C(/O)OCc2ccc([N+](=O)[O-])cc2)N2C(=O)[C@H]([C@@H](C)O)[C@@H]12	1560408766	GMHHFFDDVGNNSY-INLQKTOSSA-O	696.715	2.996	30	40	KFEB	
CCOCCCNC(=O)/C(C#N)=c1/s/c(=C\c2ccc(C(=O)OC)cc2)c(=O)n1-c1ccccc1C(F)(F)F	102963024	WIUMLMZHGHGIFS-YJNSOFIASA-N	559.566	2.750	30	40	KFEB	
C[C@@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	150405314	DFRXHIAUDQUDMM-MIAOLLSESA-N	719.832	2.911	30	40	KFEB	
CCOc1c(I)cc(/C=N/Nc2ncc(F)c(N3CCOCC3)n2)cc1OC	408735457	QEGSPGKSINTYSF-LSHDLFTRSA-N	501.300	2.910	30	40	KFEB	
C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1	1874792	BEISOXARTJIQLN-QARYAGPDSA-N	564.616	2.916	30	40	KFEB	
Cc1ccc(S(=O)(=O)/N=C(\CN2CCCCC2)N2CCN(S(=O)(=O)c3ccc(C)cc3)C2)cc1	12867416	HIWYAHVIFFHTMY-OCOZRVBESA-N	504.678	2.841	30	40	KFEB	
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@]23C(=O)N(CC)c2ccccc23)cc1C	24193143	TVRJPXSTPLRUIF-SSEXGKCCSA-N	531.609	2.991	30	40	KFEB	
CC(=O)N[C@H]1[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](COC(C)=O)O[C@@H]1Oc1ccc(C(=O)/C=C/c2ccccc2)cc1	100849128	JSSYUFYKKJGNOD-NJBWQXRJSA-N	553.564	2.618	30	40	KFEB	
CC(C)OC(=O)COc1c(C=Nn2c(O)nc3ccccc3c2=O)cc(Br)cc1[N+](=O)[O-]	409344912	JYKHNMFRYCHVBT-UHFFFAOYSA-N	505.281	2.985	30	40	KFEB	
CCCCCC(=O)O[C@H]1[C@H](C)O[C@@H](O[C@@H]2[C@@H](C)O[C@@H](O[C@@H]3[C@@H](OC)[C@H](O)CC(=O)O[C@H](C)CC=CC=C[C@H](O)[C@H](C)C[C@@H]3CC=O)[C@H](O)[C@H]2N(C)C)C[C@@]1(C)O	936069918	CUDHGRIZNLIHBG-OUBHLYQSSA-N	799.996	2.977	30	40	KFEB	biogenic,in-vitro
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCN2CCOCC2)cc1	8827753	ZNXFOYBXPULUJD-XMMPIXPASA-N	522.554	2.545	30	40	KFEB	
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc([N+](=O)[O-])cc2)c1C	8895892	FEQASOQJSWKEKV-JOCHJYFZSA-N	526.546	2.627	30	40	KFEB	
COc1cc(/C=N/N(CCC(=O)NC(C)(C)C)C2=NS(=O)(=O)c3ccccc32)cc(OC)c1OC	22825761	XEGXGWWKFJVUEI-MFKUBSTISA-N	502.593	2.802	30	40	KFEB	
COc1ccc(OC)c([C@H]2/C(=C(\O)c3cnn(-c4ccccc4)c3C)C(=O)C(=O)N2CCN2CCOCC2)c1	102858509	FAAHUKKLFCPOMQ-CZNAVJSXSA-N	532.597	2.952	30	40	KFEB	
CC[C@@H](C)[C@@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C)C(=O)O	70692135	YXDXMCGMVVZDHT-KMSSYPNNSA-N	573.683	2.936	30	40	KFEB	biogenic
CCN1C(=O)[C@@]2(C(C(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)=C(O)C(=O)N2CCN(C)C)c2ccccc21	98046878	VDUUDBMHXFRCRB-LJAQVGFWSA-N	566.680	2.522	30	40	KFEB	
C=CCN(/C=C1/C(=O)O[C@H](COC)[C@]2(C)C3=C(C(=O)C(=O)[C@@H]12)[C@@H]1CCC(=O)[C@@]1(C)C[C@H]3OC(C)=O)CC=C	169685805	FXLQTCWYUQYUQR-JFTADSDISA-N	525.598	2.508	30	40	KFEB	in-vitro
CCOc1ccc([C@H]2C(C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)=C(O)C(=O)N2CCCOC)cc1OC	6079914	IUAKHQQMZMOTER-QHCPKHFHSA-N	532.615	2.959	30	40	KFEB	
CC[C@H]1OC(=O)C[C@@H](O)[C@@H](C)[C@@H](O[C@H]2O[C@@H](C)C[C@@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)C(=O)/C=C/[C@]2(C)O[C@@H]2[C@H]1C	101056548	IUPCWCLVECYZRV-OSQYBZOUSA-N	581.747	2.670	30	40	KFEB	
O=C(COc1ccccc1)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(I)c1	101317747	LRDXONWAOABDIN-SFEXGQDGSA-N	528.393	2.972	30	40	KFEB	
COC(=O)c1[nH]c(C)c(/C(O)=C2\C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(Cl)cc2)c1C	102530811	ADSZQWHAHDLDIP-OBVHCKHUSA-N	501.967	2.825	30	40	KFEB	
O=[N+]([O-])c1cc(Br)cc(/C=N/Nc2nc(=NCc3ccccc3)nc(N3CCOCC3)[nH]2)c1O	408718483	QQOGCUQWANBGJC-ZMOGYAJESA-N	529.355	2.565	30	40	KFEB	
C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc4c(c2)OCO4)C(C(=O)OCC)=C(C)N=3)cc1OC	408919771	CFVGMHDOHKDNIC-PLQXQRLBSA-N	532.574	2.548	30	40	KFEB	
Cc1ccc(S(=O)(=O)OC[C@H]2O[C@@H](COC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@H]2O)cc1	104210375	BVDWOAPOABTRBJ-WSOYEBOPSA-N	526.563	2.911	30	40	KFEB	
C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(OCC)c1OCC(=O)O	409075822	UOFRJCWALIDMBD-XDHOZWIPSA-N	508.483	2.730	30	40	KFEB	
CC(=O)OC[C@H]1O[C@@H](n2c(O)c(C#N)c(-c3ccccc3)c(C#N)c2=S)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	5540752	WAQNEQMHDHKLFT-JNJJRJLRSA-N	583.575	2.589	30	40	KFEB	
COc1cc(/C=N/Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)ccc1OC(=O)c1ccc(Cl)cc1	108595202	HYQFOHOPHRDZHF-OGLMXYFKSA-N	554.007	2.872	30	40	KFEB	
CCN(CC)C(=O)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2/C=N/Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCC(C(N)=O)CC2)C1	150401632	ZGUUTUPRYSJBTJ-XRDWFJMKSA-N	658.738	2.920	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1ccc(N(CC)CC)o1	408950218	MEDGYTGJPKWSEI-MZUBRCSQSA-N	529.594	2.646	30	40	KFEB	
COc1cc(OC)c2c(c1Cl)O[C@@]1(C(=O)C3=C(C[C@H]1C)Nc1c(c(=O)n(C)c(=O)n1C)[C@H]3c1cc(OC)c3c(c1)OCCO3)C2=O	524730185	YSUUMJBHUKPFMC-FGUXERLGSA-N	652.056	2.969	30	40	KFEB	biogenic
CSCC[C@H](NC(=O)[C@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@@]21C)C(C)C)C(=O)O	217345716	NFFAFKACCGSCKL-TYDJPWBPSA-N	692.872	2.576	30	40	KFEB	
CCOc1cccc(/C=N\N[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)c1	408943703	GAGCXIUFXCOVGK-HZXBEXEUSA-N	512.563	2.606	30	40	KFEB	
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N[C@H](CCC(=O)O)C(=O)O	70697063	RFYYZFMOXYYAOI-JUQIERFQSA-N	575.655	2.576	30	40	KFEB	biogenic
CN1C(=O)/C(=N\Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c2ccccc21	100260676	HHXSXVLCZVZVIK-PNHLSOANSA-N	565.568	2.807	30	40	KFEB	
CCN(CC)c1ccc(N2/C(=N\C(=O)CNC(=O)OC(C)(C)C)S[C@@H]3CS(=O)(=O)C[C@@H]32)c(C)c1	101319387	KYISBRJYIOPAAS-PTLTXODJSA-N	510.682	2.967	30	40	KFEB	
Cc1cc(C=Nn2c(O)nc3ccccc3c2=O)c(C)n1-c1ccc(OCC(=O)N2CCOCC2)cc1	409353134	HHVNNNFLAWTQRC-UHFFFAOYSA-N	501.543	2.629	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1ccc(C2CCN(C)CC2)c([N+](=O)[O-])c1	408952901	OGWPMJJDFUPNSA-DTGKKMCQSA-N	610.668	2.925	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C\c1cc2c(cc1Cl)OCO2	408954355	PLBKKMFXTDZXCS-QPUQDTJSSA-N	546.964	2.589	30	40	KFEB	
C#CCOc1ccc(/C=N/N[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1Br	408958032	UVRHBLZULCUDBC-ANHJNJTBSA-N	601.454	2.982	30	40	KFEB	
COC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C	70698734	CRPMXODYUHOEFR-LAOVQPNZSA-N	637.726	2.927	30	40	KFEB	biogenic
CCOc1ccc([C@H]2/C(=C(\O)c3ccc(S(=O)(=O)N(C)C)cc3)C(=O)C(=O)N2CCCN(C)C)cc1OC	102696068	DLLYELYWQAWMDP-NXLSWJSLSA-N	545.658	2.718	30	40	KFEB	
CS(=O)(=O)N(CCC#N)Cc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)o1	409129583	GTSAFTOJDMGNTR-WQRHYEAKSA-N	506.537	2.769	30	40	KFEB	
C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OC(C)=O)cc1	1824456	MMVGLWBQVWOAOL-CVGPFBNFSA-N	519.535	2.798	30	40	KFEB	
NC(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2N/N=C/c2cc([N+](=O)[O-])ccc2N2CCCCC2)CC1	100421740	MLMPFXOSJCUQQD-WGOQTCKBSA-N	559.605	2.825	30	40	KFEB	
COc1ccc(CCN2/C(=N\C(=O)Cc3ccc(OC)c(OC)c3)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1	101302903	KQANKBAJZFRKMG-FVEOKJNXSA-N	504.630	2.595	30	40	KFEB	
Cc1nc2c(C)cccn2c1/C(O)=C1\C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1cccc([N+](=O)[O-])c1	102931162	RESUZFBYMDNZCC-IAMBOQNYSA-N	505.531	2.613	30	40	KFEB	
CCOc1cc(C=Nn2c(O)nc3ccccc3c2=O)cc(I)c1OCC(=O)OC	409354723	AMLNZZZYNLZXJZ-UHFFFAOYSA-N	523.283	2.539	30	40	KFEB	
CCOC(=O)c1[nH]c(C)c(/C(O)=C2\C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccc(OC)c2OC)c1C	102875970	QSODEOVUHIDZHK-ZZIWUOEGSA-N	555.628	2.969	30	40	KFEB	
CC(C)C[C@@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@@]21C)C(=O)O	118922088	ZVHQVQOJWRLBNC-LFWYDEFSSA-N	575.699	2.728	30	40	KFEB	
CC(C)C[C@H](NC(=O)[C@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)C(C)C)C(=O)O	150344960	NHWZGIMDIXDYFH-HTSPEEOLSA-N	674.832	2.869	30	40	KFEB	
COc1ccc(/C=N/NC(=S)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)c(OC)c1OC	97980874	KTKNCYKCFDTSES-YDZHTSKRSA-N	529.040	2.707	30	40	KFEB	
CC(C)OC(=O)COc1c(Br)cc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1[N+](=O)[O-]	409404115	CDMVOLARGIZEQU-DSIZOQBWSA-N	506.309	2.829	30	40	KFEB	
C=C1[C@H](O)[C@H]2C=CC[C@@H](C)C(=O)[C@@](C)(O)C=C[C@@H](OC(C)=O)[C@@]23C(=O)N[C@@H](Cc2ccccc2)[C@@H]3[C@H]1C	1529035925	SDZRWUKZFQQKKV-KXNGJWOISA-N	507.627	2.917	30	40	KFEB	
Cc1ccc(N(CCC#N)C(=O)COC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1	24755651	FVIYEDGDRHVFMJ-UHFFFAOYSA-N	527.599	2.657	30	40	KFEB	
CCOC(=O)c1[nH]c(C)c(/C(O)=C2\C(=O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(C(=O)OC)cc2)c1C	102879185	FHCFCAGEZCFUJK-HFEWCJDKSA-N	511.575	2.968	30	40	KFEB	
C#CCOc1c(I)cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc1I	103856514	VUVBIXSVQIHEPT-UHFFFAOYSA-N	566.158	2.507	30	40	KFEB	
CCOC(=O)COc1c(/C=N\N[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc(I)cc1OC	408958788	WTFBSAZSVZKJJF-AFPWNFEBSA-N	726.521	2.762	30	40	KFEB	
COCCN1C(=O)C(=O)/C(=C(/O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)[C@@H]1c1ccc(OC)c(OC)c1	102897454	GFGGDUCHMDSPKE-NXLSWJSLSA-N	544.626	2.947	30	40	KFEB	
CCCOc1ccc(/C=N/N[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1	408946230	IGUVQTDMERTNKH-HOCPYKBASA-N	526.590	2.996	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C\c1cn(CC#N)c2ccccc12	408946330	IOEATBINOGCJGU-MEGFMSEWSA-N	546.584	2.685	30	40	KFEB	
CCOc1cc(C=Nn2c(O)nc3ccccc3c2=O)cc(I)c1O[C@@H](C)C(=O)O	409359170	NHILNWFCMIZJNP-NSHDSACASA-N	523.283	2.840	30	40	KFEB	
COc1ccccc1[C@H]1/C(=C(\O)c2cnn(-c3ccccc3)c2C)C(=O)C(=O)N1CCN1CCOCC1	102879381	NKRJSKAXEXKITA-IUKMQXEJSA-N	502.571	2.943	30	40	KFEB	
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(OC)cc2)c1C	8895909	BAZOKIVVSGVUGY-HSZRJFAPSA-N	511.575	2.727	30	40	KFEB	
COc1ccc([C@@H]2C(C(=O)c3cc(Cl)ccc3O)=C(O)C(=O)N2CCN2CCOCC2)cc1OC	20310392	GBBGUFGILIYESV-JOCHJYFZSA-N	502.951	2.973	30	40	KFEB	
COC(=O)c1ccc([C@@H]2/C(=C(\O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCN2CCOCC2)cc1	102882831	OPFZEINYGNKVGT-YJBPAFNHSA-N	520.582	2.941	30	40	KFEB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCC#N)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1	408818339	ZZDJMVPFTKVDRL-FCKOQQNDSA-N	519.579	2.718	30	40	KFEB	
C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC(C)=O)cc1	2301828	XJDZTQIZFNCFAA-CVGPFBNFSA-N	519.535	2.798	30	40	KFEB	
COc1c(Br)cc(Br)cc1/C=N/Nc1nc(N(C)C)nc(N2CCOCC2)n1	8872814	ISNBBJXWMOCQKJ-KEBDBYFISA-N	515.210	2.754	30	40	KFEB	
CCCC(=O)O[C@@H]1[C@H](C)[C@@]2(O)[C@@H](C=C(CO)C[C@]3(O)C(=O)C(C)=C[C@@H]23)[C@@H]2C(C)(C)[C@@]12OC(=O)CCC	100006893	BQJRUJTZSGYBEZ-FEHDPTBGSA-N	504.620	2.632	30	40	KFEB	in-vitro
C#CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1I	408948199	DZYHRSGBVWTOED-RIYZIHGNSA-N	516.247	2.698	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1cc(Cl)c(OCC(=O)O)c(OCC)c1	408955958	RBNAGVBBDGGMJB-QNNRQLQASA-N	621.043	2.723	30	40	KFEB	
Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCCN2CCOCC2)[C@H]1c1cccc([N+](=O)[O-])c1	8835855	YUOQGOXFNWDTOY-QHCPKHFHSA-N	505.531	2.852	30	40	KFEB	
C=CCN1C(=O)[C@@]2(C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCN(C)C)c2ccccc21	20461440	OWLJUPJHJXTQFN-NDEPHWFRSA-N	503.555	2.675	30	40	KFEB	
C=CCOc1ccc([C@H]2NC(=O)N[C@](O)(C(F)(F)F)[C@@H]2C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1	102618849	RBZFHZPRCFJKRC-NNMXDRDESA-N	527.521	2.606	30	40	KFEB	
CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@@]56[C@@H](O)C(N5CC5)=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1	118930051	NIXMTMDOMRNYIH-OITUIDDOSA-N	511.659	2.996	30	40	KFEB	
C[C@@H]1CO[C@@H](NC(=O)C(F)(F)C(F)(F)C(F)(F)F)[C@@H](NC(=O)C(F)(F)C(F)(F)C(F)(F)F)O1	217360226	WUKGAAKKFUAUEK-WDCZJNDASA-N	524.205	2.972	30	40	KFEB	
CCCN1C(=O)[C@@]2(C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2CCN2CCOCC2)c2ccccc21	24192987	NVPSBVPRAURMFG-NDEPHWFRSA-N	505.571	2.517	30	40	KFEB	
COc1cccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2cc(OC)c(OC)c(OC)c2)c1	34935028	IWYGHNJCHLBWAG-QHCPKHFHSA-N	512.559	2.632	30	40	KFEB	
Cc1ccc(S(=O)(=O)/N=C(/CN2CCOCC2)N2CCN(S(=O)(=O)c3ccc(C)cc3)[C@H]2C(C)C)cc1	100770896	IJFREWFQSUQAAU-PIJNJCDPSA-N	548.731	2.711	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1ccc(N(CC)CC)cc1O	408939728	BNKVHRSIEACXCQ-IGSAFADJSA-N	555.632	2.759	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1ccc(N(CC)CC)o1	408950224	MEDGYTGJPKWSEI-VUFFNQAGSA-N	529.594	2.646	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1cc(Br)c(OCC(=O)OC)c(OC)c1	408957917	UORKIPDKDYTDOF-DHYSAPCYSA-N	665.494	2.530	30	40	KFEB	
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(OC)cc2)c1C	8895913	BAZOKIVVSGVUGY-QHCPKHFHSA-N	511.575	2.727	30	40	KFEB	
Cc1cc(=O)[nH]c(N/N=C/c2cc(C)n(-c3cc(S(=O)(=O)N4CCOCC4)ccc3N3CCCC3)c2C)n1	97980687	GDLOJSYWNPKSAL-WPWMEQJKSA-N	539.662	2.553	30	40	KFEB	
Cc1ccc(S(=O)(=O)Oc2ccccc2/C=N/Nc2cc(N3CCOCC3)nc(N3CCOCC3)n2)cc1	408973227	XQRPDULRUCBTRZ-ZXVVBBHZSA-N	538.630	2.672	30	40	KFEB	
C[C@]1(C(=O)O)C[C@@H](O)[C@H](CC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1	82048360	VQOCGEDVOQRNED-DBTLUIDLSA-N	512.511	2.968	30	40	KFEB	
CC(C)(C)OC(=O)NCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Br)cc1F	101311674	NNYBUQUGRRPFTI-RNEAELQVSA-N	522.418	2.714	30	40	KFEB	
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=C/C(=N\OCC(=O)NC[C@H](CC(=O)O)c5ccccc5)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO	118936129	SUEVDGAUQVQWFG-LSRAIPLDSA-N	596.721	2.960	30	40	KFEB	
O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)[C@@H]1/C=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408740043	CPMLNVLBPQXVNB-OZOTYFBYSA-N	507.282	2.727	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1ccc(O)c(I)c1	408945142	HINCNCXNOZFUCZ-FJLGLVMOSA-N	610.405	2.517	30	40	KFEB	
CCOc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc([N+](=O)[O-])c1OCC(=O)N1CCOCC1	409295852	GIYFQUYBABUUAB-UHFFFAOYSA-N	574.388	2.894	30	40	KFEB	
C=CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OC(C)=O)c(=O)n2[C@@H]1c1ccc(OC(C)=O)cc1	97947632	SKQYQIWYEHQLTJ-XSZPGNIMSA-N	532.574	2.815	30	40	KFEB	
CO[C@@H]1[C@@H](O[C@@H]2O[C@H](C)[C@H](O[C@@H]3C[C@](C)(O)[C@H](O)[C@H](C)O3)[C@H](N(C)C)[C@@H]2O)[C@@H](CC=O)C[C@@H](C)[C@@H](O[C@@H]2CC[C@H](N(C)C)[C@@H](C)O2)/C=C/C=C/C[C@@H](C)OC(=O)C[C@H]1OC(C)=O	575133002	ZPCCSZFPOXBNDL-GTXWNZLSSA-N	885.102	2.896	30	40	KFEB	
COC(=O)[C@@]12C(=O)[C@@](C)(O)C(=O)[C@]1(C)C(C)=C[C@H]1[C@]3(C=O)CC[C@H](OC(C)=O)C(C)(C)[C@H]3CC[C@@]12C	2332241397	VNBOCIKTDWMWMX-BUAIGUDTSA-N	502.604	2.984	30	40	KFEB	
C=CCNC(=O)c1cc(C(=O)N[C@@H](Cc2ccccc2)C(=O)OC)ccc1C(=O)N[C@H](Cc1ccccc1)C(=O)OC	102845402	PMCAWTVKTZRQRR-RRPNLBNLSA-N	571.630	2.631	30	40	KFEB	
C#CCOc1c(Cl)cc(/C=N/N[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OC	408957505	TWBKJOOYTGBBDU-UHSBKBDLSA-N	587.029	2.881	30	40	KFEB	
CCOC(=O)COc1ccc(Br)cc1/C=N\N[C@H](O)COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OCC	408959132	YLBHVGBQOWYFQR-JCUCPVSQSA-N	649.495	2.912	30	40	KFEB	
C=CCN1C(=O)[C@]2(C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2CCCN2CCOCC2)c2ccccc21	24147671	NVSXMUGHHNXCLH-GDLZYMKVSA-N	517.582	2.683	30	40	KFEB	
CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)CN1CCOCC1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](CC(C)C)C(=O)[C@@]1(C)CO1	255964763	BLMPQMFVWMYDKT-LDROZYBQSA-N	719.924	2.584	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1ccc(OCC(=O)OC)c(Br)c1	408958908	XHONYGBCXSAEOZ-QRDZMATFSA-N	635.468	2.521	30	40	KFEB	
CCOC(=O)C1=C(C)N(NC(=O)Nc2ccccc2)C2(N)N(NC(=O)Nc3ccccc3)C(C)=C(C(=O)OCC)C12C#N	73310043	OCUZISDJIJRAFD-UHFFFAOYSA-N	588.625	2.888	30	40	KFEB	
Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(O)c1/C=N/CCN1CCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1	102646823	YJPGSVQOKDDICD-LCJMQTIFSA-N	533.545	2.979	30	40	KFEB	
C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC)cc2OC)C(C(=O)OCC)=C(C)N=3)cc1	408927817	RNAZNYSTNKWMQS-LWUPDDLQSA-N	518.591	2.828	30	40	KFEB	
CCCCCCCN(C)C(=O)[C@@H]1CC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCCOc2ccccc2C(=O)N1	643575438	SABNAYHCSVZHOI-CHQNGUEUSA-N	687.842	2.681	30	40	KFEB	
COc1ccc(OC[C@H](O)Cn2c(N/N=C/C(Br)=C/c3ccccc3)nc3c2c(=O)[nH]c(=O)n3C)cc1	1256112	ARUIFABENFOYJO-PLSKPTCNSA-N	569.416	2.706	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1cc(Br)c(OC)c([N+](=O)[O-])c1	408949411	LMLBFOHMJBOJRY-VZHUXCPHSA-N	622.429	2.886	30	40	KFEB	
O=C(CN1C(=O)CCC1=O)NC1=C(C(=O)c2ccccc2)N(Cc2ccccc2)S(=O)(=O)c2ccccc21	2343523	QMQLYEZNZHCWHJ-UHFFFAOYSA-N	529.574	2.708	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C\c1ccc(OC(C)=O)c(OCC)c1	408956420	RLEXHPSQLNQMGC-WAQZCJMBSA-N	570.599	2.531	30	40	KFEB	
CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(OCC(N)=O)c([N+](=O)[O-])c1	1531303293	LBZUPPJYFPEQSQ-YSURURNPSA-N	518.324	2.775	30	40	KFEB	
COC(=O)[C@H]1C[C@H](O)CN1C(=O)CO/N=C1\C=C[C@@]2(C)C(=C1)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O	12296271	RSSJAWQURRUEQB-ROEWKJICSA-N	500.636	2.984	30	40	KFEB	
C#CCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)sc2cc(S(N)(=O)=O)ccc21	10709051	DBVMRKZFACBHDR-LCUIJRPUSA-N	546.696	2.678	30	40	KFEB	
CCOc1cc(Br)c(N2/C(=N\C(=O)CCC(=O)O)S[C@H]3CS(=O)(=O)C[C@H]32)cc1OCC	101311168	UEHXFUMOLHVBEV-ATRMXRNASA-N	535.438	2.713	30	40	KFEB	
C#CCOc1c(/C=c2/sc3n(c2=O)[C@@H](c2cccc(OC)c2OCC)C(C(=O)OCCOC)=C(C)N=3)cccc1OC	408971560	IYBRDCWUEQMLCH-INZJWMLVSA-N	592.670	2.853	30	40	KFEB	
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1OC	8858450	GFEVUCPXXRNLGX-QHCPKHFHSA-N	511.531	2.913	30	40	KFEB	
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)[C@]12C(=O)N(C)c1ccccc12	98046776	OJMSMJCAWISJBV-GDLZYMKVSA-N	566.680	2.522	30	40	KFEB	
CCN(CC)S(=O)(=O)c1ccc(C(=O)C2=C(O)C(=O)N([C@H]3CCS(=O)(=O)C3)[C@@H]2c2ccccc2F)cc1	98048218	DCPOZSFQZFQFDF-HTAPYJJXSA-N	550.630	2.622	30	40	KFEB	
COC(=O)c1[nH]c(C)c(/C(O)=C2\C(=O)C(=O)N(CCCN(C)C)[C@@H]2c2cc(OC)c(OC)c(OC)c2)c1C	102482858	BFKGNASGYGDMSZ-IAMBOQNYSA-N	529.590	2.817	30	40	KFEB	
COc1ccc([C@@H]2C(C(=O)c3c(C)nc4ccccn34)=C(O)C(=O)N2CCN2CCOCC2)cc1OC	8826928	BBEDQAZQHDQZPU-XMMPIXPASA-N	506.559	2.570	30	40	KFEB	
CC[C@H](C)[C@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)C(=O)O	70692344	MMWQEYZXQLVYHN-NHGWDTHGSA-N	575.699	2.728	30	40	KFEB	biogenic
CC(C)(C)c1ccc([C@H]2C(C(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)=C(O)C(=O)N2CCN2CCOCC2)cc1	98045735	FHWXUAYMMRIMJF-MHZLTWQESA-N	597.734	2.916	30	40	KFEB	
C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N[C@H](C(=O)O)[C@H](O)c1cccc([N+](=O)[O-])c1	150344800	LOYTWJIBXQKVSE-POAPTXNKSA-N	668.696	2.532	30	40	KFEB	
CCc1nnc(S)n1/N=C/c1cc(I)c(O)c(I)c1	408861346	QQNCSQVCYPATQH-LHHJGKSTSA-N	500.103	2.926	30	40	KFEB	
COC(=O)COc1c(I)cc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1I	409403104	GXOMSHNQGYXBSK-KUDNYVPYSA-N	606.154	2.589	30	40	KFEB	
C=CCN1C(=O)/C(=c2/sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C(C(=O)OC)=C(C)N=3)c2ccccc21	638136	NCWBQYZIGHTWAS-JBCNATCCSA-N	505.983	2.964	30	40	KFEB	
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cc(OC)ccc2OC)c(O)c1	20309472	HIXPRDORZFFXSW-DEOSSOPVSA-N	512.559	2.719	30	40	KFEB	
CC[C@H](Sc1nc(-c2ccc(N(C)C)cc2)c(C#N)c(=O)[nH]1)C(=O)Nc1ccc(S(N)(=O)=O)cc1	20573035	SVTFCYVKSRSFSO-IBGZPJMESA-N	512.617	2.531	30	40	KFEB	
C/N=C1/S/C(=C\c2cc(I)c(OCC(=O)OC)c(I)c2)C(=O)N1C	408858911	UJURVIHKPAMDBV-SMOZIMNHSA-N	572.162	2.980	30	40	KFEB	
CC(C)OC(=O)COc1ccc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1I	409402210	DPNVGHZPTKBDRC-KODHJQJWSA-N	508.312	2.763	30	40	KFEB	
C#CCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N(CC)CCCC)cc2)sc2cc(S(N)(=O)=O)ccc21	100875766	OGUWOOZFJSNIJQ-BZZOAKBMSA-N	534.685	2.535	30	40	KFEB	
CCN(CC)C(=O)[C@H]1CCCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2N/N=C2\C(=O)Nc3ccccc32)C1	103766116	VIMBFNGQBJYTAX-INIZCTEOSA-N	528.591	2.632	30	40	KFEB	
C#C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@@H](C(=O)N5C[C@H](O)C[C@@H]5C(=O)O)C(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C	118918995	CISVREYUELBLRR-GENFJHACSA-N	597.753	2.873	30	40	KFEB	
CC(=O)OC[C@H]1O[C@@H](O[C@H]2[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](Oc3ccc(/C=C/C(=O)c4ccccc4)cc3)O[C@@H]2COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	169797630	LDQQGGABWYHFKK-GQKWLHNBSA-N	842.800	2.581	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C\c1cc(Cl)ccc1OCC#N	408945446	HOHBJUNXQLCKIT-HMWBBYHBSA-N	557.991	2.763	30	40	KFEB	
C=CC/N=C/[C@]12CC[C@@H](O[C@H]3C[C@@H](O)[C@H](O)[C@H](C)O3)C[C@@]1(O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@@]12O	118921200	OCOPISHUWCHCIR-LXSLFYIESA-N	573.727	2.837	30	40	KFEB	
C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)cc3OC)c(=O)n2[C@H]1c1ccc(OC(C)=O)cc1	1782542	SHHVEIZECJFCTM-PNZYDNNZSA-N	534.590	2.907	30	40	KFEB	
COc1ccc(OC)c([C@@H]2C(C(=O)c3c(C)nc4ccccn34)=C(O)C(=O)N2CCN2CCOCC2)c1	9007822	BOMUCOOZBKMRDB-XMMPIXPASA-N	506.559	2.570	30	40	KFEB	
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NCCc1ccc(O)cc1	38140854	LZCJFDGCDDYNIX-AAXFWFPKSA-N	579.690	2.953	30	40	KFEB	biogenic
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1cc(Br)c(O)c(OC)c1	408952869	OEXYOUJXQRNMER-MKMNMNSVSA-N	593.431	2.684	30	40	KFEB	
COC(=O)c1ccc([C@H]2/C(=C(\O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCN2CCOCC2)cc1	102540068	AFTDNBKGIQVZAS-WZLGSTDNSA-N	506.555	2.551	30	40	KFEB	
Cc1ccccc1OC[C@@H](O)Cn1c(N/N=C/C(Cl)=C/c2ccc([N+](=O)[O-])cc2)nc2c1c(=O)n(C)c(=O)n2C	11852886	GOVSYEBOZNZWPA-BYRUHUISSA-N	567.990	2.768	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C\c1cccc(OC(C)C)c1	408937886	ACXUCHWCFHZHQR-ZCZJNENGSA-N	526.590	2.994	30	40	KFEB	
COC(=O)c1ccc([C@H]2C3=C(C[C@@H](C)[C@]4(Oc5c(Cl)c(OC)cc(OC)c5C4=O)C3=O)Nc3c2c(=O)n(C)c(=O)n3C)cc1	524731715	IKZMMCYCITTXSB-PPPMQJFDSA-N	622.030	2.976	30	40	KFEB	biogenic
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C\c1cc(Br)cc(OC)c1OCC#N	408951310	NAVJBHNMXOFXLQ-RXKYXHDOSA-N	632.468	2.881	30	40	KFEB	
C#CCOc1c(/C=c2/sc3n(c2=O)[C@H](c2cccc(OC)c2OCC)C(C(=O)OCCOC)=C(C)N=3)cc([N+](=O)[O-])cc1OC	408970452	ICAMKDYOZINTHT-OCEWKHMESA-N	637.667	2.761	30	40	KFEB	
COc1cc(C=Nn2c(C(C)C)nc3ccc(Br)cc3c2=O)cc([N+](=O)[O-])c1OCC(N)=O	409288089	CODAMAYZTHDONN-UHFFFAOYSA-N	518.324	2.946	30	40	KFEB	
C/C=C/C=C/C=C/C1=CC2=C(Cl)C(=O)[C@](C)(OC(=O)C[C@H](O)C[C@@H](C)O)C(=O)C2=CN1[C@H](C)C(=O)O	1772591221	MBUFZXOVAKJHCX-CPSRUTITSA-N	519.978	2.700	30	40	KFEB	
COC(=O)[C@H](O)[C@H]1C(C)(C)[C@H](OC(=O)C(C)C)[C@@]2(O)C(=O)[C@]1(C)[C@H]1CC[C@]3(C)[C@H](CC(=O)O[C@H]3c3ccoc3)[C@]13O[C@H]23	67911537	ADDLXGZBTXNVDS-ZNJOZOMMSA-N	588.650	2.516	30	40	KFEB	biogenic,in-vitro
CC(=O)O[C@H]1[C@@H](C)O[C@@H](O[C@H]2CC[C@]3(C=O)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)C[C@H]1OC(C)=O	70680450	PHSBHTPVOGIRQM-KVVZJMQISA-N	618.720	2.921	30	40	KFEB	biogenic
C#CCOc1ccccc1/C=c1/sc2n(c1=O)[C@H](c1ccc(OCC(=O)OC)c(OCC)c1)C(C(=O)OCC)=C(C)N=2	409036640	RZVRJGVZPOJBQS-GKKFRVOYSA-N	590.654	2.761	30	40	KFEB	
C#CCOc1c(I)cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc1OC	409212617	RLSPSVHHNLJVJW-LICLKQGHSA-N	549.296	2.982	30	40	KFEB	
COc1ccc(OC)c([C@@H]2/C(=C(\O)c3cnn(-c4ccccc4)c3C)C(=O)C(=O)N2CCN2CCOCC2)c1	102858513	FAAHUKKLFCPOMQ-CJJGVWJISA-N	532.597	2.952	30	40	KFEB	
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@@]2(O)C(=O)COC(=O)CCC(=O)NCc1ccccn1	118920332	ZRRGVFNBIQCWFU-OHQSNFDZSA-N	550.652	2.600	30	40	KFEB	
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN2CCOCC2)cc(Br)c1O	53308064	QWZXMMAFZAGPJZ-JOCHJYFZSA-N	575.412	2.845	30	40	KFEB	
CCOc1ccc(N2C(=O)c3ccc(C(=O)N4CCN(S(=O)(=O)c5ccccc5C#N)CC4)cc3C2=O)cc1	103041306	YCKZZCMUDCHSTI-UHFFFAOYSA-N	544.589	2.904	30	40	KFEB	
C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)cc3)c(=O)n2[C@H]1c1ccc(OC)cc1	2281934	DVVBXGLXGGTJQR-FCKOQQNDSA-N	504.564	2.898	30	40	KFEB	
Cc1[nH]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1/C=N/CCN1CCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1	100104977	JTKIHPSWWQMBIS-LCJMQTIFSA-N	533.545	2.567	30	40	KFEB	
C#C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N\OCC(=O)N[C@H](C(=O)N[C@H](CC(=O)O)C(=O)O)C(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C	217338123	WYUHHNBNAWYJMG-CJEGCIHYSA-N	599.725	2.871	30	40	KFEB	
C#CCOc1c(Br)cc(C(c2c(O)n(C)c(=S)n(C)c2=O)c2c(O)n(C)c(=S)n(C)c2=O)cc1OCC	409074641	UIMREKUPVDWLDO-UHFFFAOYSA-N	609.524	2.985	30	40	KFEB	
CC(C)(CC(=O)O)CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C	4416286	RLELKNVPYJNKPC-DUPSWXAMSA-N	502.604	3.000	30	40	KFEB	
C=CCN1C(=O)[C@]2(C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCN2CCOCC2)c2ccccc21	98047162	XQNCETRQFQQIMP-PLTNMMHCSA-N	543.620	2.997	30	40	KFEB	
O=C1C(=O)N(CCCN2CCOCC2)[C@H](c2ccc([N+](=O)[O-])cc2)/C1=C(\O)c1ccc2c(c1)OCCO2	102708729	AFNOCHBMPKNGKJ-ZHHPLPSFSA-N	509.515	2.510	30	40	KFEB	
C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=C/C(=N\OCC(=O)NCC5CCC(C(=O)O)CC5)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO	118918920	FUZPADALZLFZAV-PZOBRIMMSA-N	574.715	2.592	30	40	KFEB	
C#CCOc1ccc(/C=N/N[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1Br	408958038	UVRHBLZULCUDBC-SIJOXOPISA-N	601.454	2.982	30	40	KFEB	
CCN(CC)S(=O)(=O)c1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCS(=O)(=O)C3)[C@H]2c2ccccc2F)cc1	98048217	DCPOZSFQZFQFDF-VGSWGCGISA-N	550.630	2.622	30	40	KFEB	
COc1cc(/C=c2/s/c(=C(\C#N)C(=O)N3CCCC3)n(-c3ccc(C)cc3)c2=O)ccc1OC(F)F	102963526	VROTZFQCMBZLRK-WAFZPUJNSA-N	511.550	2.943	30	40	KFEB	
COc1cc(OC)c2c(c1Cl)O[C@@]1(C(=O)C3=C(C[C@H]1C)Nc1c(c(=O)n(C)c(=O)n1C)[C@H]3c1cccc(O)c1)C2=O	524731015	GUYRXCNMHMZTSS-IPAQCRBRSA-N	579.993	2.895	30	40	KFEB	biogenic
C=CCN1C(=O)/C(=C/c2cc(I)c(OCC(=O)OCC)c(I)c2)C(=O)NC1=S	408903344	RFVVBHJNTRYZCS-IZZDOVSWSA-N	626.210	2.650	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1cc(I)c(OCC#N)c(OC)c1	408939830	BREPRLZAURBNDD-SREUWLBMSA-N	679.468	2.723	30	40	KFEB	
C=CCOc1cccc(/C=N\N[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)c1	408959309	ZDRHTBKGAOHHPF-CLTIBCLCSA-N	524.574	2.772	30	40	KFEB	
N#CCOc1c(I)cc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1I	409407992	WJUVDGCLHMRPJV-LWWSYDQCSA-N	573.128	2.939	30	40	KFEB	
Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)N(CCC#N)CCC#N)cc3)cc2)n1	2709326	YUJLVIJJAPJFFW-UHFFFAOYSA-N	553.626	2.656	30	40	KFEB	
COC(=O)[C@H]1C[C@@H](O)CN1C(=O)CO/N=C1\C=C[C@@]2(C)C(=C1)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O	12296269	RSSJAWQURRUEQB-BMFORGPVSA-N	500.636	2.984	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1ccc(OCC#N)c(I)c1	408958552	WGFUFTVZTOADGC-RXVUIVJYSA-N	649.442	2.714	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1cc(Cl)c(O)c(OC)c1	408959457	ZSLBYJBBBWZGMX-VZHUXCPHSA-N	548.980	2.575	30	40	KFEB	
CCOc1cc([C@@H]2C(C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)=C(O)C(=O)N2CCCOC)ccc1O	9014782	PHUBEFHSXKFXSB-JOCHJYFZSA-N	518.588	2.656	30	40	KFEB	
Cc1c(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)c(N2CCC(C(N)=O)CC2)n(C)c(=O)c1C#N	16750095	JGWQWPZMZWRVKF-STZFKDTASA-N	521.668	2.711	30	40	KFEB	
COc1cc(/C=N\Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)ccc1OC(=O)c1ccccc1Cl	103860513	ZJROBHXMMKSSGN-QRQIAZFYSA-N	554.007	2.872	30	40	KFEB	
COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)CON=C1C=C[C@@]2(C)C(=C1)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O	253533812	RSSJAWQURRUEQB-PPFNNCELSA-N	500.636	2.984	30	40	KFEB	biogenic
COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC#N)cc3)c(=O)n2[C@H]1c1cc(Cl)ccc1OC	408944490	MRCFFKLNUCBUKO-AFHVAHMMSA-N	509.971	2.973	30	40	KFEB	
O=S(=O)(c1ccc(NC(=S)N/N=C/c2sc(N3CCOCC3)nc2-c2ccccc2)cc1)N1CCOCC1	97980886	VDIXZKQAOLVLDJ-NLRVBDNBSA-N	572.738	2.988	30	40	KFEB	
O=[N+]([O-])c1ccc(Oc2ccc(/C=N/Nc3nc(N4CCOCC4)nc(N4CCOCC4)n3)cc2)c([N+](=O)[O-])c1	105622060	HSAILYVGKCGCGK-PCLIKHOPSA-N	551.520	2.600	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C\c1cc(Br)c(OC(C)=O)c(OC)c1	408948488	KKJXGTMBSNKZAY-OSTBNYECSA-N	635.468	2.904	30	40	KFEB	
CCN1C(=O)[C@]2(C(C(=O)c3cccc(S(=O)(=O)N4CCCCC4)c3)=C(O)C(=O)N2CCN(C)C)c2ccccc21	98046784	WBDFINREQQXHHO-GDLZYMKVSA-N	566.680	2.522	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1ccc(I)cc1	408947446	JITGSTULACMTDS-GSKHPKCTSA-N	594.406	2.812	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1cc(I)c(OCC(=O)O)c(OCC)c1	408950762	MOKQGCGYTGYZPL-QNNRQLQASA-N	712.494	2.674	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C\c1cc(Br)cc([N+](=O)[O-])c1O	408956998	RYSXJLSNALXMGO-OVIGYQOSSA-N	608.402	2.583	30	40	KFEB	
C=CCOc1c(I)cc(/C=C2/NC(=O)N(C)C2=O)cc1I	409189059	CFKUNWRDNIIGJG-YRNVUSSQSA-N	510.069	2.983	30	40	KFEB	
CCOC(=O)N1CCN(c2nc3ccccc3nc2[C@@H](C#N)C(=O)NCCc2ccc(OC)c(OC)c2)CC1	97954967	RFYIFVXOFBJPIX-HXUWFJFHSA-N	532.601	2.892	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1ccc(OC(C)C)cc1	408956660	RQFFCHFOYAEBAH-ZIAGWNQCSA-N	526.590	2.994	30	40	KFEB	
C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1	1748972	OWTWUTYIWKPQLV-LWUPDDLQSA-N	534.590	2.907	30	40	KFEB	
C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)cc1	1816998	MRDLEHZVMNYDFB-FCKOQQNDSA-N	506.580	2.990	30	40	KFEB	
CC(C)(C)OC(=O)NCC(=O)NCCCOCCOCCOCCCNC(=O)OCC1[C@@H]2CCC#CCC[C@@H]12	725239501	SPXNLNQWLORDDS-DHIUTWEWSA-N	553.697	2.623	30	40	KFEB	
CCOc1ccc(CNC(=S)N/N=C/c2ccc(O[C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)c(OC)c2)cc1	97956254	LMEYGSGIHMKOPL-GZVFLTQMSA-N	689.740	2.554	30	40	KFEB	
C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4ccc(N5CCOCC5)o4)c(=O)n32)cc1	408850850	SFFWTJNGCUGKPT-YPKVGQCMSA-N	535.622	2.793	30	40	KFEB	
CCCOc1ccc(/C=N/N[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1	408946228	IGUVQTDMERTNKH-BXLJIYODSA-N	526.590	2.996	30	40	KFEB	
CCOC(=O)c1c(-c2ccc(OC)cc2)c(C#N)c(=S)n([C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c1-c1ccccc1	5956370	XRJYQXMYBFBTJQ-WWCQIOBWSA-N	552.605	2.581	30	40	KFEB	
C=CCN1C(=O)N/C(=C/c2cc(I)c(OC)c(I)c2)C1=O	8430199	GICKMHFLIUGBRX-YRNVUSSQSA-N	510.069	2.983	30	40	KFEB	
COc1cc([C@H]2/C(=C(\O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCCN2CCOCC2)cc(OC)c1OC	102883680	VSFJXMQNDUQXOD-IUKMQXEJSA-N	554.596	2.628	30	40	KFEB	
COCCN1C(=O)C(=O)/C(=C(/O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)[C@H]1c1ccc(OC)c(OC)c1	102897450	GFGGDUCHMDSPKE-SBXHHDGASA-N	544.626	2.947	30	40	KFEB	
C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OCC)c(OCC)c2)C(C(=O)OC)=CN=3)cc1OC	408938873	SLKZEDUPUCFXGX-MLGNGQMDSA-N	548.617	2.836	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1cc(Cl)ccc1O	408946008	HZPVJUMOPDSDMR-SKALTOFESA-N	518.954	2.566	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1ccc(OCC#N)c(Br)c1	408958299	VMFFYRQEADRSQL-RXVUIVJYSA-N	602.442	2.872	30	40	KFEB	
COCCN1C(=O)C(=O)/C(=C(/O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@@H]1c1cccc(Br)c1	102866784	UORNTBAUOBRXIQ-WOOAAIBNSA-N	523.405	2.768	30	40	KFEB	
C=C1C(=O)[C@]23[C@@H]4C[C@@H]5C(C)(C)CC[C@@H](OC(C)=O)[C@@]5([C@H](OC(C)=O)O4)[C@@H]2[C@@H](OC(C)=O)C[C@@H]1[C@H]3OC(C)=O	100359532	OHNDVAVRHSWTKG-QDMCHXAWSA-N	532.586	2.657	30	40	KFEB	
CCOC(=O)COc1ccc(/C=N/N[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1Br	408937856	AAPDNLHFTXJMAR-RMGBIMRUSA-N	649.495	2.912	30	40	KFEB	
CC(=O)OC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)C(/C=N\Nc1ccccc1)=N/Nc1ccccc1	104253476	MLNCNATWGIZADS-CVBAJSRXSA-N	598.609	2.842	30	40	KFEB	
C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N[C@H](Cc1ccccc1)C(=O)O	118920413	QSQUMTHHMINFDZ-DTTZQBQYSA-N	609.716	2.925	30	40	KFEB	
CC(=O)OC[C@H]1O[C@@H](n2c(O)c(C#N)c(-c3ccccc3)c(C#N)c2=S)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	5540758	WAQNEQMHDHKLFT-OYYBEKNXSA-N	583.575	2.589	30	40	KFEB	
CCCCCCCCOc1ccc([C@H](c2n(CCO)c(C)c(C)[n+]2[O-])C2C(=O)NC(=O)NC2=O)cc1	524734188	GPZBKNGITHJLEI-NRFANRHFSA-N	500.596	2.584	30	40	KFEB	
COc1cc([C@H]2/C(=C(\O)c3ccc(F)cc3)C(=O)C(=O)N2CCN2CCOCC2)cc(OC)c1OC	9178690	RCDIUFKAHONCAL-MOBKVPTQSA-N	500.523	2.605	30	40	KFEB	
CC(=O)OC[C@]12O[C@H]1[C@@H](OC(=O)c1ccc(OC(C)=O)cc1)[C@@H]1CCO[C@@H](O[C@H]3O[C@@H](COC(C)C)[C@H](OC(C)C)[C@@H](OC(C)=O)[C@@H]3OC(C)=O)[C@@H]12	95100336	DLERDUKLDUHAHQ-VNLMPMSFSA-N	736.764	2.654	30	40	KFEB	
O=C(C1=C(O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccccc1F)c1ccc(S(=O)(=O)N2CCCC2)cc1	101337318	FNQYAIDQMZFGJC-RUZDIDTESA-N	557.644	2.911	30	40	KFEB	
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)N(CCC#N)CCC#N)cc3)cc2)n1	1769940	SYEMQLIMRHFNDB-UHFFFAOYSA-N	567.653	2.965	30	40	KFEB	
C/C(=N\NC(=S)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1)c1ccc(Cl)c([N+](=O)[O-])c1	102934200	QZSSLBDDUZWZBT-WGOQTCKBSA-N	583.092	2.816	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C\c1ccccc1OC(C)C	408940706	CHPWJFZGGFORJP-CDAZSXJKSA-N	526.590	2.994	30	40	KFEB	
CCN1C(=O)[C@@]2(C(C(=O)c3ccc(C)c(F)c3)=C(O)C(=O)N2CCCN2CCOCC2)c2ccccc21	16741240	DOTJSSCZNSJYTP-NDEPHWFRSA-N	507.562	2.955	30	40	KFEB	
C#CCOc1c(Br)cc(/C=N/N[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OC	408945867	HVRMPCQKFIVPOY-NUQBMMRGSA-N	631.480	2.990	30	40	KFEB	
CCN1C(C(=O)c2ccccc2)=C(NC(=O)CN2C(=O)c3ccccc3C2=O)c2ccccc2S1(=O)=O	36612555	FJSIGPILTQANHT-UHFFFAOYSA-N	515.547	2.675	30	40	KFEB	
C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4O)c(=O)n32)cc1	408858510	POLVASXWUCBWCI-AFHVAHMMSA-N	566.548	2.885	30	40	KFEB	
CCOCCCn1/c(=N/C(=O)c2cc(OC)c(OC)c(OC)c2)c(C#N)cc2c(=O)n3ccccc3nc21	9192152	PKRKCCOAEDFFGT-BGABXYSRSA-N	517.542	2.714	30	40	KFEB	
CO[C@@H]1C[C@H](O[C@@H]2CC[C@]3(C#N)[C@H]4CC[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)O[C@H](C)[C@@H]1O	70708155	PQYWNPQSYWMPGQ-ACLXTEGSSA-N	545.673	2.758	30	40	KFEB	biogenic
CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@H]1c1ccc(Cl)cc1	97951343	CVAHKLOFDQTQOL-JOCHJYFZSA-N	534.034	2.501	30	40	KFEB	
COc1cc(OC)c2c(c1Cl)O[C@@]1(C(=O)C3=C(C[C@H]1C)NC(=O)C[C@@H]3c1cccc(OCC(N)=O)c1)C2=O	524731271	QYAPOJCTPNSDKZ-YDWCZGDXSA-N	540.956	2.702	30	40	KFEB	biogenic
CC(=O)O[C@H]1C[C@]23C[C@@]24CC[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)[C@@H]4CC=C3[C@]2(C)C[C@@H]3O[C@]4(C[C@@H](C)[C@@H]3[C@@]12C)O[C@H](O)[C@]1(C)O[C@H]41	2060993527	XUJMHSCMPCZWOV-SNLAKZIISA-N	674.828	2.949	30	40	KFEB	
O=[N+]([O-])c1ccc(N2CCCC2)c(/C=N/c2ccc(N3CCOCC3)c(S(=O)(=O)N3CCOCC3)c2)c1	100475862	YSXLXPCKWYFVQB-LGUFXXKBSA-N	529.619	2.803	30	40	KFEB	
C#CCOc1cc(Br)c(/C=N/N[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OC	408946827	IQILGKFZADSHPF-BFLMKNSRSA-N	631.480	2.990	30	40	KFEB	
CCOC(=O)COc1c(Br)cc(/C=N/N[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OC	408947749	JOVAQRCWRJQCBA-HKTILGSXSA-N	679.521	2.920	30	40	KFEB	
COc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc(OC)c1OCC(=O)N1CCOCC1	409277893	BPMZZIOJHIJBSA-UHFFFAOYSA-N	545.390	2.604	30	40	KFEB	
NC(=S)N1N=C(c2ccc([N+](=O)[O-])cc2)/C(=N\Nc2ccccc2C(=O)NCc2ccccc2)C1=O	9299711	DIWGWWHBBSFAHX-SGWCAAJKSA-N	501.528	2.783	30	40	KFEB	
CO[C@@H]1C[C@H](O[C@H]2CC[C@]3(/C=N/CC#N)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)O[C@@H](C)[C@H]1O	70673703	LWKAZUCECAEDKN-YBCPDMLGSA-N	586.726	2.829	30	40	KFEB	biogenic
COc1ccc(CN/N=C/c2cc(I)c(OCC(=O)O)c(OC)c2)cc1OC	20196469	CJMKXASQRRBJQA-LSHDLFTRSA-N	500.289	2.904	30	40	KFEB	
C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NCc1ccncc1	118920346	ROQCYJKALZMEFU-UWTRAULOSA-N	552.668	2.824	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C\c1cc(Br)ccc1OC	408952367	OANURRKTZFDMTD-SCHWWVHOSA-N	577.432	2.978	30	40	KFEB	
CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(OCC(=O)N2CCOCC2)c([N+](=O)[O-])c1	409303145	GFSMVQBASPCDEG-UHFFFAOYSA-N	574.388	2.758	30	40	KFEB	
C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OC)c(=O)n2[C@@H]1c1ccc(OC(C)=O)cc1	1887982	DCKQMKAJDJFGDE-DLBLZJNESA-N	504.564	2.898	30	40	KFEB	
O=C(O)COCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(N2CCC(Cc3ccccc3)CC2)cc1	59664848	YDZPMEWCPNRZLR-SHFPUHIPSA-N	557.694	2.848	30	40	KFEB	
O=C(COC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2)c1	97979479	VEZIJGPDDGRJHS-UHFFFAOYSA-N	582.726	2.582	30	40	KFEB	
C=CCN1C(=O)/C(=C/c2cc(Br)c(OCC(=O)OCC)c(I)c2)C(=O)NC1=S	408902333	HMYOOOZLGURZCN-IZZDOVSWSA-N	579.210	2.808	30	40	KFEB	
C=CCc1cc(/C=N/N[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)ccc1O	408943462	FTHWVNPXRGIPSK-FZEVWGAESA-N	524.574	2.641	30	40	KFEB	
COc1cc(C=Nn2c(O)nc3ccccc3c2=O)c(Br)c(Br)c1OCC(=O)N1CCOCC1	409350183	UKVQLLYGWWVDQR-UHFFFAOYSA-N	596.232	2.756	30	40	KFEB	
CO[C@@H]1C[C@H](O[C@H]2CC[C@]3(/C=N/CC#N)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)O[C@H](C)[C@H]1O	70673699	LWKAZUCECAEDKN-NVSMNMNOSA-N	586.726	2.829	30	40	KFEB	biogenic
C[C@@H]1CCc2c(sc(NC(=O)CN3CCN(S(=O)(=O)c4ccccc4[N+](=O)[O-])CC3)c2C#N)C1	34853950	IURNHRMTGYQXDH-OAHLLOKOSA-N	503.606	2.598	30	40	KFEB	
C=C(CC[C@]12O[C@H](C(=O)O)[C@](O)(C(=O)O)[C@](C(=O)O)(O1)[C@H](OC(=O)/C=C/[C@@H](C)C[C@@H](C)CC)[C@H]2O)[C@@H](OC(C)=O)[C@H](C)Cc1ccccc1	49772300	DFKDOZMCHOGOBR-DEWSPSTKSA-N	690.739	2.884	30	40	KFEB	biogenic
CC[C@H](C)[C@@H](NC(=O)[C@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)C(C)C)C(=O)O	150344845	SVMLVPRFQSDMBZ-XRGVMMQMSA-N	674.832	2.869	30	40	KFEB	
COc1cc(OC)c2c(c1Cl)O[C@@]1(C(=O)C3=C(C[C@H]1C)Nc1c(c(=O)n(C)c(=O)n1C)[C@@H]3c1ccc(O)cc1)C2=O	524732166	ZZCKZGQBKUWXLP-YXUSKKHYSA-N	579.993	2.895	30	40	KFEB	biogenic
O=C(O)COCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(N2CCC(Cc3ccccc3)CC2)cc1	59664854	YDZPMEWCPNRZLR-BKDRZCABSA-N	557.694	2.848	30	40	KFEB	
C=CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1[C@@H](CO)NC(=O)c1ccc(OC)cc1	108239029	VPBASRGZMIPMRV-LJQANCHMSA-N	512.548	2.575	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1ccc(N2CCCCC2)o1	408946897	IXIKZIMIMIEPTI-UIAHHWCESA-N	541.605	2.790	30	40	KFEB	
COC(=O)[C@H](C)Oc1c(I)cc(C=Nn2c(O)nc3ccccc3c2=O)cc1OC	409354578	IGEFFBSIKMNXCS-NSHDSACASA-N	523.283	2.538	30	40	KFEB	
O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)N=C1C=CC(=[S@](=O)(O)N2CCCCC2)C=C1	409416092	IXNZILXXHQNRCR-UHFFFAOYSA-N	638.834	2.875	30	40	KFEB	
COc1cc(OC)c2c(c1Cl)O[C@@]1(C(=O)C3=C(C[C@H]1C)Nc1c(c(=O)n(C)c(=O)n1C)[C@@H]3c1ccc3c(c1)OCO3)C2=O	524729127	FCHQWKBMFNYAAD-XCRXPNQSSA-N	608.003	2.918	30	40	KFEB	biogenic
CC(=O)O[C@]1(C(=O)COC(=O)CCC(=O)N2C[C@@H](O)C[C@H]2C(=O)O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C	70698340	ZQLUAONXKBONOF-PRNKXUSNSA-N	601.693	2.759	30	40	KFEB	biogenic
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)O	79221545	OIFUSWZLCJYPAZ-QYUNWPKBSA-N	662.736	2.888	30	40	KFEB	
CCOC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)CO/N=C1\C=C2CC[C@H]3[C@@H]4CC[C@](O)(C(=O)CO)[C@@]4(C)C[C@H](O)[C@@H]3[C@@]2(C)CC1	85907454	KTYRLEPPWJJZSP-XYWUUVLDSA-N	626.747	2.581	30	40	KFEB	
COc1cc(C(=O)/N=c2\c(C#N)cc3c(=O)n4cccc(C)c4nc3n2C[C@H]2CCCO2)cc(OC)c1OC	101240862	MEQHVFVMLJPELV-QGVFYGKKSA-N	529.553	2.775	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1cc(OC)c(OCC#N)cc1Br	408950158	MDBVDLTYSGEBNN-FTJUKMFUSA-N	632.468	2.881	30	40	KFEB	
COc1cc(C(=O)O[C@H](C(=O)O)[C@@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)Nc2ccc(C#N)cc2)ccc1OC(C)=O	409385846	KIJNFQGQLGPFHK-SXOMAYOGSA-N	634.550	2.900	30	40	KFEB	
C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@@]2(O)C(=O)COC(=O)CCC(=O)NCc1ccccn1	118920333	ZRRGVFNBIQCWFU-BGYASFNKSA-N	550.652	2.600	30	40	KFEB	
CS(=O)(=O)O[C@H]1[C@@H](OC(=O)c2ccccc2)O[C@@H](COC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1	5341341	VZIXNTWOWQCRAQ-IILZIBOQSA-N	540.546	2.996	30	40	KFEB	
COCCN1C(=O)C(O)=C(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)[C@@H]1c1ccc(O)c(OC)c1	38139750	KKQAOLNLGYUHGF-QHCPKHFHSA-N	530.599	2.800	30	40	KFEB	
O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)C(F)(F)[C@@]1(F)OC(F)(F)C(F)(F)C1(F)F	96022261	WDMDQNGQMFVQNT-OAHLLOKOSA-N	516.338	2.841	30	40	KFEB	
O=C(C1=C(O)C(=O)N(CCCN2CCOCC2)[C@H]1c1ccccc1F)c1ccc(S(=O)(=O)N2CCCC2)cc1	101337321	FNQYAIDQMZFGJC-VWLOTQADSA-N	557.644	2.911	30	40	KFEB	
COC(=O)c1ccc([C@@H]2/C(=C(\O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCN2CCOCC2)cc1	102650052	AFTDNBKGIQVZAS-GOBYDPEUSA-N	506.555	2.551	30	40	KFEB	
COC(=O)c1[nH]c(C)c(/C(O)=C2\C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccccc2OC)c1C	102860639	ACIJGAAUQROBDK-COUQNMRISA-N	511.575	2.571	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1cc(Cl)ccc1O	408946005	HZPVJUMOPDSDMR-SJLPXIOISA-N	518.954	2.566	30	40	KFEB	
O=C(O)CCOCCOCCN(CCOCCOCCC(=O)O)C(=O)CCC(=O)N1Cc2ccccc2C#Cc2ccccc21	725325704	SQZXTKBMAFTQDM-UHFFFAOYSA-N	624.687	2.558	30	40	KFEB	
C[C@@H](C(=O)Oc1ccc([C@H]2C3=C(Nc4[nH]c(=O)n(C)c(=O)c42)c2ccccc2C3=O)cc1)N1C(=O)c2ccccc2C1=O	1107373	NAYPOEAYVHOLME-NYHFZMIOSA-N	574.549	2.829	30	40	KFEB	
CC(=O)N[C@@H]1[C@@H](Oc2ccc(C(=O)/C=C/c3ccccc3)cc2)O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	100849131	JSSYUFYKKJGNOD-ZHDXTMENSA-N	553.564	2.618	30	40	KFEB	
C#CCOc1ccc(/C=N/N[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1I	408951844	NMIRHTKWOUBOJA-ANHJNJTBSA-N	648.454	2.824	30	40	KFEB	
COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCN2CCOCC2)cc1OC	15952856	DHSQVGWIUXECKE-GKVSMKOHSA-N	508.571	2.938	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1ccc(OC)c(Br)c1	408942679	DXWZRQNNPOXEDT-NSCYZXDASA-N	577.432	2.978	30	40	KFEB	
C=CCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2)sc2cc(S(N)(=O)=O)ccc21	100874739	IHLSWYMQFALXIS-OONGNWCQSA-N	548.712	2.944	30	40	KFEB	
CCOc1cc(Br)c(N2/C(=N\C(=O)CC#N)S[C@H]3CS(=O)(=O)C[C@H]32)cc1OCC	101311222	XJIXEAODQIKGOG-DCBQDTKDSA-N	502.412	2.762	30	40	KFEB	
CCOC(=O)/C(=N\Nc1ccc(NC(=O)c2ccc(N/N=C(\C(C)=O)C(=O)OCC)cc2)cc1)C(C)=O	8398484	GJRRVCHRTVBWEE-CMQILWEHSA-N	509.519	2.779	30	40	KFEB	
CO[C@H]1C[C@H](O[C@@H]2CC[C@]3(/C=N/CCCO)[C@H]4CC[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@]5(O)[C@H]4CC[C@]3(O)C2)O[C@H](C)[C@H]1O	257199219	WTQHODYWVQKVNY-LSHVAKGTSA-N	605.769	2.688	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C\c1cccc(OC)c1OCC	408937861	AASDRUCQUBDBTD-QUANKURASA-N	542.589	2.614	30	40	KFEB	
CCOc1ccccc1/C=N\N[C@@H](O)COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OCC	408944531	GSYQIJVZFLSYGW-YUAMXHCBSA-N	512.563	2.606	30	40	KFEB	
C=CCN(c1ccccc1OC)S(=O)(=O)c1cccc(C(=O)OCC(=O)N2C[C@H](C)O[C@@H](C)C2)c1	15978976	YXMBEZZQPDRHPG-OALUTQOASA-N	502.589	2.869	30	40	KFEB	
CN1C(=O)[C@@]2(C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCCN2CCOCC2)c2ccccc21	20358885	UCTIJCMZCAQRQK-NDEPHWFRSA-N	501.539	2.864	30	40	KFEB	
O=C(Cc1ccc(/N=C2\N[C@H]3CS(=O)(=O)C[C@@H]3S2)cc1)NCCOc1cccc(C(F)(F)F)c1	20618107	PWKULTYCPIYFAM-OALUTQOASA-N	513.563	2.933	30	40	KFEB	
N#C/C(C(=O)N1CCCC1)=c1/s/c(=C/c2ccc(Sc3ncccn3)c([N+](=O)[O-])c2)c(=O)n1-c1ccccc1	102963840	BDXRAGOCRVQYML-JKESBKQOSA-N	556.629	2.874	30	40	KFEB	
CCOC(=O)[C@@H]1NC(=C2C(=O)c3ccccc3C2=O)[C@@H]2C(=O)N(N(C)c3ncc(C(F)(F)F)cc3Cl)C(=O)[C@H]12	106336489	AHJCNTNLMQYJJX-RVKKMQEKSA-N	562.888	2.574	30	40	KFEB	
CC(C)[C@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C)C(=O)O	70692378	DVUSJQMNNVHDRK-RGUQVWHRSA-N	559.656	2.546	30	40	KFEB	biogenic
C=CCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N(CCC#N)CCC#N)cc2)sc2cc(S(C)(=O)=O)ccc21	100874496	MPXQLHOWWDWBMJ-PNHLSOANSA-N	557.679	2.851	30	40	KFEB	
C=CCc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccc4c(c2)OCO4)C(C(=O)OCC)=C(C)N=3)cc(OC)c1O	409001139	USHUFYPUGJIMJM-SEXPAEGTSA-N	534.590	2.970	30	40	KFEB	
Cn1c(=O)[nH]c(=O)c2c1nc(N/N=C/c1ccc([N+](=O)[O-])cc1)n2C[C@@H](O)COc1ccc(Cl)cc1Cl	6444791	BREMUKJOVQQXNO-MPRHSDCASA-N	548.343	2.524	30	40	KFEB	
Nn1c(Cc2ccccc2F)nnc1SCC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2)c1	17546266	LDUINRXGQZXMPV-UHFFFAOYSA-N	531.639	2.703	30	40	KFEB	
CC1(C)CC(=O)C(=CNCCN2CCN([C@H]3CC(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)CC2)C(=O)C1	100541813	VCYYVKXTYFHQIY-FQEVSTJZSA-N	521.445	2.675	30	40	KFEB	
C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NCc1ccccn1	118920334	UPZGIFPOHKVUEQ-UWTRAULOSA-N	552.668	2.824	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C\c1ccccc1OC(C)C	408940717	CHPWJFZGGFORJP-ZCZJNENGSA-N	526.590	2.994	30	40	KFEB	
COc1cc([C@H](CC(=O)NC2CCN(c3ncccc3C#N)CC2)c2oc(C)cc(=O)c2O)ccc1O	524731947	QEJGFEKXRHYHQB-FQEVSTJZSA-N	504.543	2.942	30	40	KFEB	biogenic
O=C(COC(=O)c1ccccc1N/C=C/C(=O)C(F)(F)F)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	97979327	IRNRGGIEDUWICJ-MDZDMXLPSA-N	541.504	2.560	30	40	KFEB	
COC1=C(NCCc2ccc(OC)c(OC)c2)C(=O)C(OC)=C(NCCc2ccc(OC)c(OC)c2)C1=O	100396298	ZVJUSJVRIKBAAR-UHFFFAOYSA-N	526.586	2.553	30	40	KFEB	
CCOC(=O)[C@@](NC(=O)C(F)(F)C(F)(F)C(F)(F)F)(NS(=O)(=O)c1ccccc1)C(F)(F)F	102056080	YMHLCCDNHPJULT-GFCCVEGCSA-N	522.317	2.736	30	40	KFEB	
CCOc1ccc(CCNC(=O)Cc2ccc(/N=C3\N[C@H]4CS(=O)(=O)C[C@@H]4S3)cc2)cc1OCC	9530037	VZQLQGDRWSSHDF-REWPJTCUSA-N	517.673	2.875	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C\c1cc(Br)c(OC)c(OC)c1	408941213	CNCQCFLLODNOFO-XFCWRSKXSA-N	607.458	2.987	30	40	KFEB	
C=CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)ccc3OC)c(=O)n2[C@H]1c1ccc(OC(C)=O)cc1	100841633	PLECVCQHPRJNJO-XXMKCSCWSA-N	534.590	2.907	30	40	KFEB	
NC(=O)C1CCN(C2=C(O)c3ccccc3C(=O)/C2=N\S(=O)(=O)c2ccc(Br)cc2)CC1	101081026	FTHTZOZSGWRILX-BWAHOGKJSA-N	518.389	2.899	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1cc(I)c(OCC(=O)OC)c(I)c1	408944834	GXLFULDNDAGAND-CJDZJEGHSA-N	808.364	2.968	30	40	KFEB	
O=C1CC(c2ccccc2)CC(=O)C1=CNCCN1CCN(C(=S)NCc2ccc3c(c2)OCO3)CC1	100425164	KTXQUPZXHHGYDV-UHFFFAOYSA-N	520.655	2.597	30	40	KFEB	
C=CCNC(=O)c1cc(C(=O)N[C@H](Cc2ccccc2)C(=O)OC)ccc1C(=O)N[C@H](Cc1ccccc1)C(=O)OC	102845401	PMCAWTVKTZRQRR-KAYWLYCHSA-N	571.630	2.631	30	40	KFEB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC#N)c(OC)c3)c(=O)n2[C@H]1c1ccc(F)cc1	408817127	VHYTVRBQDFKWRE-CVGPFBNFSA-N	507.543	2.848	30	40	KFEB	
COc1ccc(NC(=O)C[C@@H]2S/C(=N\c3ccccc3)N(CCN3CCOCC3)C2=O)c([N+](=O)[O-])c1	15910772	ZQARBZNSRLOOJW-VHAJSEAWSA-N	513.576	2.896	30	40	KFEB	
CCN(CC)C(=O)[C@H]1CCCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2N/N=C/c2cc([N+](=O)[O-])ccc2N2CCN(C)CC2)C1	103764058	BAATXVLIRIRYKG-JCJHSNGYSA-N	630.728	2.970	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1cc(OC)c(OC(C)=O)cc1Br	408954958	PVPZVCNZIXCBLQ-FJHDUFGASA-N	635.468	2.904	30	40	KFEB	
CCCOc1ccc(/C=N\Nc2nc3c(c(=O)[nH]c(=O)n3C)n2C[C@@H](O)COc2ccc(CC)cc2)cc1	33921353	WLWPZDZWDICHBI-SSQQOGHWSA-N	520.590	2.660	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1cc(I)c(O)c(OC)c1	408940391	BZAIZEHMELYSQP-OKFFUVHGSA-N	640.431	2.526	30	40	KFEB	
C[C@@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(=O)O	12880173	HVVPPUPTQIHEMV-CWYHCJQNSA-N	517.619	2.731	30	40	KFEB	biogenic
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1cc(I)c(OCC(=O)O)c(OCC)c1	408950754	MOKQGCGYTGYZPL-DHYSAPCYSA-N	712.494	2.674	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C\c1cc2c(cc1Cl)OCO2	408954362	PLBKKMFXTDZXCS-VJBBNLEKSA-N	546.964	2.589	30	40	KFEB	
COc1cc([C@@H]2CC(=O)N=C3N=CNN32)cc(I)c1OCc1ccccc1C#N	409382039	KVRDQQWKLTZPRC-INIZCTEOSA-N	501.284	2.926	30	40	KFEB	
CC(=O)OC[C@@H]1O[C@@H](OC2=C(CC=C(C)C)C(=O)c3ccccc3C2=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	5430625	FMNSNVSJQBSOAM-MEGPWYFRSA-N	572.563	2.776	30	40	KFEB	
C=CCOc1ccc(/C=N/N[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OC	408957419	SXUDEOMNJGEXRJ-IGSAFADJSA-N	554.600	2.781	30	40	KFEB	
C=CCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc2)sc2cc(S(N)(=O)=O)ccc21	100874736	IHLSWYMQFALXIS-JSOFMQCWSA-N	548.712	2.944	30	40	KFEB	
O=S(=O)(c1ccc(N2CCOCC2)c(/N=C/c2c(F)c(F)c(F)c(F)c2F)c1)N1CCOCC1	102933967	GUMKMTDYSWSSBN-KKMKTNMSSA-N	505.465	2.990	30	40	KFEB	
CCOC(=O)[C@@H]1/C(=N/NS(=O)(=O)c2ccc(C)cc2)C[C@](C)(O)[C@H](C(=O)OCC)[C@@H]1c1ccc(N(C)C)cc1	105540707	LLYBBIGZKVTSAO-UIGXNSKLSA-N	559.685	2.992	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1cc(Cl)c(OCC(=O)O)c(OCC)c1	408955950	RBNAGVBBDGGMJB-DHYSAPCYSA-N	621.043	2.723	30	40	KFEB	
C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OCC(=O)OC)c(OCC)c2)C(C(=O)OCC)=C(C)N=3)cc1OC	409050586	XIULBPZVJASNEE-SFKHYTNKSA-N	620.680	2.769	30	40	KFEB	
C=C(CC[C@H](O)[C@]1(C)CC[C@H](C(C)(C)O[C@@H]2O[C@H](COC)[C@H](O)[C@H](O)[C@@H]2NC(C)=O)O1)[C@@H]1CC[C@@H]2[C@]3(C)CC[C@H](C(C)(C)O[C@@H]4O[C@H](COC)[C@H](O)[C@H](O)[C@@H]4NC(C)=O)O[C@H]3CC[C@]12C	1772591101	GCZBXFCUKBFLTN-UDUATAKBSA-N	927.183	2.788	30	40	KFEB	
C#CCOc1c(/C=c2/sc3n(c2=O)[C@H](c2ccc(OCC)c(OCC)c2)C(C(=O)OC)=CN=3)cccc1OC	408938411	HSVGTLYOBUDRPH-NPWCAHBGSA-N	548.617	2.836	30	40	KFEB	
CCCCN1C(=O)[C@@]2(C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN(C)C)c2ccccc21	20357470	DUSNIMYCYQGQLC-NDEPHWFRSA-N	505.571	2.899	30	40	KFEB	
CCOC(=O)N1CCN(C2=C(NS(=O)(=O)c3ccc(Br)cc3)C(=O)c3ccccc3C2=O)CC1	72138143	OBAZVCYDFSOHQZ-UHFFFAOYSA-N	548.415	2.792	30	40	KFEB	
C/C(=N/NC(=S)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)c1ccc(N2CCOCC2)cc1	73418407	OJOIAEQPKPGQIW-ONUIUJJFSA-N	538.095	2.908	30	40	KFEB	
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN2CCCC2)cc2c1OCO2	96335831	WTSLNOAMJWHGDJ-HSZRJFAPSA-N	508.527	2.869	30	40	KFEB	
CC(C)(O)/C=C/C(=O)[C@](C)(O)[C@@H]1[C@H](O)C[C@]2(C)[C@@H]3CC=C4[C@H](C[C@@H](O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C	1569983388	SRPHMISUTWFFKJ-MWEOAJEXSA-N	516.675	2.929	30	40	KFEB	
CCCN1C(=O)[C@@]2(C(C(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)=C(O)C(=O)N2CCN(C)C)c2ccccc21	98046882	DTAYOQMWEKEDTC-PMERELPUSA-N	580.707	2.912	30	40	KFEB	
CO[C@H]1[C@@H](O[C@@H]2O[C@H](C)[C@H](O[C@@H]3C[C@](C)(O)[C@H](O)[C@H](C)O3)[C@@H](N(C)C)[C@@H]2O)[C@@H](CC=O)C[C@@H](C)[C@@H](O[C@@H]2CC[C@H](N(C)C)[C@H](C)O2)/C=C/C=C\C[C@@H](C)OC(=O)C[C@H]1OC(C)=O	504209446	ZPCCSZFPOXBNDL-PSLAIUSNSA-N	885.102	2.896	30	40	KFEB	
COc1ccc(-c2c(C#N)c(O)n([C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3OC(C)=O)c(=S)c2C#N)cc1	5540772	VQNSHERTLWENMD-WHEQMZTLSA-N	613.601	2.598	30	40	KFEB	
O=[N+]([O-])c1cc2c(cc1/C=N\Nc1nc(=Nc3cccc(C(F)(F)F)c3)nc(N3CCOCC3)[nH]1)OCO2	408720589	WBBDFMWAZWFSRB-RAWMCFOBSA-N	532.439	2.975	30	40	KFEB	
C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4cc(OC)c(O)c([N+](=O)[O-])c4)c(=O)n32)cc1	408853059	KYXUSUWIALVFNT-LJJBLSSYSA-N	551.577	2.986	30	40	KFEB	
CCCCCN(C(=O)CCC(=O)O[C@@H](C)C(=O)Nc1cccc(C#N)c1)c1c(N)n(CCCC)c(=O)[nH]c1=O	38140796	AXYCQGOVEVHMJM-SFHVURJKSA-N	540.621	2.664	30	40	KFEB	
COC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCC#N)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC	408955613	YOSHHBQLUNLRPB-ZRELAVNMSA-N	509.971	2.973	30	40	KFEB	
C=CCn1c(SCc2nc(N)c3c(C)c(C(=O)OCC)sc3n2)nnc1[C@H]1CCS(=O)(=O)C1	23936526	SINXAPKNPOZSSI-LBPRGKRZSA-N	508.651	2.731	30	40	KFEB	
COCCN1C(=O)C(=O)/C(=C(/O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@H]1c1cccc(Br)c1	102866786	UORNTBAUOBRXIQ-LFVOPCPISA-N	523.405	2.768	30	40	KFEB	
COC(=O)c1cc(C(=O)OC)c(C/C(=N\NC(N)=S)C(=O)Nc2c(C)cccc2C)nc1C/C(=N\c1c(C)cccc1C)NNC(N)=S	150441223	ZMTMAUUNSNEEDT-RQXXSLPSSA-N	691.840	2.869	30	40	KFEB	
C=CCN1C(=O)/C(=c2/sc3n(c2=O)[C@@H](c2ccc(OC)cc2)C(C(=O)OCC)=C(C)N=3)c2ccccc21	631704	KUXRRQROVZQUQQ-AYWGPLOBSA-N	515.591	2.710	30	40	KFEB	
C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)Nc3ccc(S(=O)(=O)/N=C4\CCCCCN4)cc3)c2)C[C@@H](C)O1	38152347	UKKNJOWJLXUIOS-KDURUIRLSA-N	548.687	2.988	30	40	KFEB	
CCOc1cc(Br)c(N2/C(=N\C(=O)CCC(=O)O)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1OCC	101311173	UEHXFUMOLHVBEV-XDZPDYPGSA-N	535.438	2.713	30	40	KFEB	
CCOc1cc(/C=N/NC(N)=S)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408755228	MZTBNAPYPDUSQU-KEBDBYFISA-N	519.386	2.933	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1cc(Br)c(OC)c([N+](=O)[O-])c1	408949405	LMLBFOHMJBOJRY-OKFFUVHGSA-N	622.429	2.886	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1ccc(O)c(Br)c1	408949388	LLGPXQAJBQTXOB-ROKKHWFHSA-N	563.405	2.675	30	40	KFEB	
COc1c([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN2CCCC2)cc2c(c1OC)OCO2	100255727	BQGNPVQGFRIZMG-JOCHJYFZSA-N	538.553	2.878	30	40	KFEB	
COc1cc(/C=N/Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)ccc1OC(=O)c1cccc(C)c1	8856897	KCSJNOGMBDUYQE-MTDXEUNCSA-N	533.589	2.527	30	40	KFEB	
Cc1ccc(S(=O)(=O)NC(=O)C(=NNc2ccc(Cl)cc2)C(=O)NS(=O)(=O)c2ccc(C)cc2)cc1	101390597	OYCMGVJAQSXBAH-UHFFFAOYSA-N	549.030	2.735	30	40	KFEB	
C=CCn1c(SCC(=O)Nc2cccc(S(N)(=O)=O)c2)nnc1-c1cccc(S(=O)(=O)N(CC)CC)c1	103064427	RJMMZFXESPUBEL-UHFFFAOYSA-N	564.715	2.540	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1ccc(OC)cc1C	408940829	CKPLBFZBQXEINJ-GSJUJJHQSA-N	512.563	2.524	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C\c1cc(I)cc(OC)c1O	408944079	GHAYEVSVYKQFSS-GFSBBMITSA-N	640.431	2.526	30	40	KFEB	
C=CCOc1c(I)cc(I)cc1C=C1C(=O)N(C)C(=O)N(C)C1=O	408981059	YOGQDUDHTVUPGO-UHFFFAOYSA-N	552.106	2.894	30	40	KFEB	
COCCN1C(=O)C(O)=C(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@H]1c1ccc(Cl)cc1	9308532	IAWMUVLYXNSTDV-OAQYLSRUSA-N	520.991	2.586	30	40	KFEB	
CC(=O)N[C@H]1[C@@H](Oc2ccc(C(=O)/C=C/c3ccccc3)cc2)O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	100849130	JSSYUFYKKJGNOD-ULQSHPHZSA-N	553.564	2.618	30	40	KFEB	
COC(=O)c1ccc([C@@H]2/C(=C(\O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCCn2ccnc2)cc1	102551123	ZASUBYWYPQBWAZ-ZHHPLPSFSA-N	503.511	2.953	30	40	KFEB	
CN(C)c1ccc(/C=N\NC(=S)NCCCN2CCN(CCCNC(=S)N/N=C/c3ccc(N(C)C)cc3)CC2)cc1	104064426	RCHWVVXJEGAMLH-HUMGCQOQSA-N	610.902	2.513	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1ccc(OC)c(C)c1	408955536	QPAYQROOHAVEBY-YNMPAXSUSA-N	512.563	2.524	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1cc(I)c(OC)c([N+](=O)[O-])c1	408959472	ZUULQXUWZQLPNU-UWHXHJIVSA-N	669.429	2.729	30	40	KFEB	
C=CCN1C(=O)[C@]2(/C(=C(\O)c3cc4ccccc4o3)C(=O)C(=O)N2CCN2CCOCC2)c2ccccc21	101254363	WAKUREMAELUUPG-QAMYEIQESA-N	513.550	2.874	30	40	KFEB	
C=CCN1C(=O)/C(=c2/sc3n(c2=O)[C@H](c2cc(OC)c(OC)c(OC)c2)C(C(=O)OCC)=C(C)N=3)c2ccccc21	108074542	SBKRQITXJMRSAV-PNNQIPOWSA-N	575.643	2.727	30	40	KFEB	
Cc1ccc(S(=O)(=O)OC([C@H]2OCOC[C@@H]2OS(=O)(=O)c2ccc(C)cc2)[C@H]2OCOC[C@H]2OS(=O)(=O)c2ccc(C)cc2)cc1	150364083	WUKQZTARHPBQAQ-YEABMWPPSA-N	698.790	2.980	30	40	KFEB	
C#CCOc1c(Br)cc(/C=N/N[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OC	408945874	HVRMPCQKFIVPOY-VLBYHXBISA-N	631.480	2.990	30	40	KFEB	
Cc1ccc(S(=O)(=O)N/N=C(/C(=O)Nc2cccc([N+](=O)[O-])c2)c2nc3ccc([N+](=O)[O-])cc3nc2O)cc1	104291191	LHGNMEIQHNGABT-SZXQPVLSSA-N	551.497	2.782	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1cc(Cl)c(OCC(=O)OC)c(OCC)c1	408944495	GQBGCUQOBNUMDO-CPVPUQAFSA-N	635.070	2.811	30	40	KFEB	
O=C1[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C(=O)N1/N=C/c1cc(I)cc(I)c1O	409059741	XIZVPALZHPHAJJ-UTNAARHRSA-N	560.129	2.988	30	40	KFEB	
COc1cc([C@H]2CC(=O)N=C3N=CNN32)cc(I)c1OCc1ccccc1C#N	409382051	KVRDQQWKLTZPRC-MRXNPFEDSA-N	501.284	2.926	30	40	KFEB	
COc1ccc(Cl)cc1C(=O)NCCc1ccc(S(=O)(=O)/N=C(\O)N[C@H]2CCC[C@H](O)C2)cc1	33902934	VFBAJFAMXTVSQA-ROUUACIJSA-N	510.012	2.817	30	40	KFEB	in-vitro
CN1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2N/N=C/c2ccc(N3CCN(Cc4ccc5c(c4)OCO5)CC3)c([N+](=O)[O-])c2)CC1	150452542	WHHQRIPQJURUGQ-ZCTHSVRISA-N	666.717	2.936	30	40	KFEB	
CO[C@@H]1C=CO[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C(=O)C(CO)=C(NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H]1C)C4=O	263597780	HDZZOQGHCQOHLC-CFMKEFOMSA-N	725.788	2.993	30	40	KFEB	
CO[C@H]1[C@@H](O[C@@H]2O[C@H](C)[C@H](O[C@@H]3C[C@](C)(O)[C@H](O)[C@H](C)O3)[C@H](N(C)C)[C@@H]2O)[C@@H](CC=O)C[C@@H](C)[C@@H](O[C@@H]2CC[C@H](N(C)C)[C@H](C)O2)/C=C/C=C\C[C@@H](C)OC(=O)C[C@H]1OC(C)=O	504209445	ZPCCSZFPOXBNDL-LIBYCPHPSA-N	885.102	2.896	30	40	KFEB	
Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1cccc([N+](=O)[O-])c1	8835854	YUOQGOXFNWDTOY-HSZRJFAPSA-N	505.531	2.852	30	40	KFEB	
C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)N(C)[C@H]2CCS(=O)(=O)C2)c1	17466178	KZEXODSPXRRDKR-SFHVURJKSA-N	541.047	2.524	30	40	KFEB	
O=C(Cc1ccc(/N=C2\N[C@H]3CS(=O)(=O)C[C@H]3S2)cc1)NCCOc1cccc(C(F)(F)F)c1	20618109	PWKULTYCPIYFAM-RBUKOAKNSA-N	513.563	2.933	30	40	KFEB	
CC[C@@H](C)[C@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C)C(=O)O	70692133	YXDXMCGMVVZDHT-GPZTXMKNSA-N	573.683	2.936	30	40	KFEB	biogenic
COc1cc([C@@H]2C(C(=O)c3c(C)nc4ccccn34)=C(O)C(=O)N2CCN2CCOCC2)cc(OC)c1OC	97954726	GOEIZIGQBDUCIZ-XMMPIXPASA-N	536.585	2.579	30	40	KFEB	
O=C(c1ccc(/N=C2/N[C@@H]3CS(=O)(=O)C[C@@H]3S2)cc1)N1CCN(CCOc2ccc(Cl)cc2)CC1	97986822	SJPVXORKBCIOKW-YADHBBJMSA-N	535.091	2.666	30	40	KFEB	
CCOc1ccc(CCNC(=O)c2ccc(/N=C3\N[C@H]4CS(=O)(=O)C[C@H]4S3)cc2)cc1OCC	9529983	VPHRVYADHLHMOF-SIKLNZKXSA-N	503.646	2.946	30	40	KFEB	
Cc1c(/N=C2\S[C@H](CC(=O)O)C(=O)N2/N=C/c2ccc(N(C)C)cc2)c(=O)n(-c2ccccc2)n1C	16711937	YDDMDOORCSHGMR-MSFPCBJPSA-N	506.588	2.991	30	40	KFEB	
C=C(CCC=C(C)C)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)C[C@]12C	253387974	ZVTVWDXRNMHGNY-JOGTXEPTSA-N	767.010	2.953	30	40	KFEB	biogenic,in-vitro
COC(=O)[C@]12OC[C@@]34[C@H]1C(OC(=O)CC(C)C)=C([O])O[C@@H]3C[C@H]1C(C)=C(O)C(=O)C[C@]1(C)[C@H]4C(O)=C2O	1560408715	BDFJEJLMQQEEBR-XKOKWGSCSA-N	519.523	2.907	30	40	KFEB	
COc1cccc([C@@H]2/C(=C(\O)c3cnn(-c4ccccc4)c3C)C(=O)C(=O)N2CCN2CCOCC2)c1	102507518	ICULGDYKABEGRY-NPJIAGGLSA-N	502.571	2.943	30	40	KFEB	
CSCC[C@@H](NC(=O)[C@@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@@]21C)C(C)C)C(=O)O	217345946	NFFAFKACCGSCKL-OEQFSFANSA-N	692.872	2.576	30	40	KFEB	
C=C(CCCCCCCCC)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O	263606644	RCLFDFMKMOJNRC-INYLBBIRSA-N	961.859	2.752	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1cccc(Cl)c1	408944993	HCSSJJTWBSGGHM-XIABNSLWSA-N	502.955	2.861	30	40	KFEB	
CCc1ccc([C@H]2C(C(=O)c3cccc(S(=O)(=O)N(C)C)c3)=C(O)C(=O)N2CCCN2CCOCC2)cc1	98047930	JOYZVCNTTBZIKJ-VWLOTQADSA-N	541.670	2.800	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1cc(Br)ccc1OCC#N	408959154	YNJQEPOLYKGQAH-RXVUIVJYSA-N	602.442	2.872	30	40	KFEB	
CCOc1cc(/C=N/Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)ccc1OC(=O)c1ccccc1	8872380	RSVUXRKVGSBJFJ-TURZUDJPSA-N	533.589	2.609	30	40	KFEB	
CCCCN1C(=O)[C@]2(/C(=C(\O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN(C)C)c2ccccc21	102598474	WNEKVDXVBROIAH-LYJWTBIJSA-N	505.571	2.742	30	40	KFEB	
O=S(=O)(c1ccc(N2CCOCC2)c(NC(=S)N/N=C(/c2ccccc2)c2ccccn2)c1)N1CCOCC1	102930083	XPZDJGAQKJCZAQ-BXVZCJGGSA-N	566.709	2.678	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C\c1cc(Cl)ccc1OC	408956050	RCMBRNMICKTBCN-YNQPSPPSSA-N	532.981	2.869	30	40	KFEB	
C#CCOc1c(/C=c2/sc3n(c2=O)[C@H](c2cccc(OC)c2OCC)C(C(=O)OCCOC)=C(C)N=3)cccc1OC	408971561	IYBRDCWUEQMLCH-NQCZSQBNSA-N	592.670	2.853	30	40	KFEB	
C=C1[C@H]2C[C@H]2[C@@]2(C)[C@H]1[C@@H](OC(C)=O)C1=C(C)C(=O)O[C@@]13C1=C4[C@](O)(C[C@H]32)[C@H]2C[C@H]2[C@]4(C)[C@@H](O)C(=O)/C1=C(/C)C(=O)OC	653837612	FUWHPWXSVUDXDS-XMJAEXKHSA-N	576.642	2.509	30	40	KFEB	biogenic
NC(=S)NN=C1c2cc(S(=O)(=O)N3CCCCC3)ccc2-c2ccc(S(=O)(=O)N3CCCCC3)cc21	2330173	KDLRZUGYZGWBLK-UHFFFAOYSA-N	547.728	2.602	30	40	KFEB	
COc1ccc(Br)cc1/C=N/Nc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccccc1F	96306600	SWFJGNRQKRJCAJ-YSURURNPSA-N	501.316	2.828	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1cc(I)c(OCC(=O)O)c(OCC)c1	408950750	MOKQGCGYTGYZPL-CRNNCATQSA-N	712.494	2.674	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1ccccc1Cl	408952356	OAIVXRRDETVNRP-GKIICUKPSA-N	502.955	2.861	30	40	KFEB	
CCOC(=O)c1[nH]c(C)c(/C(O)=C2\C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccc(OC)c2)c1C	102519935	MAXNRGIRISNCPM-UVDRRRQGSA-N	525.602	2.961	30	40	KFEB	
C#CCOc1ccccc1/C=c1/sc2n(c1=O)[C@@H](c1ccc(OCC)c(OCC)c1)C(C(=O)OC)=CN=2	408943777	MAWURCWHWFPTMR-WWNGRIQCSA-N	518.591	2.828	30	40	KFEB	
COc1ccc(OC)c(NC(=O)CCC/C(CC(=O)c2ccc(O)c(OC)c2)=N\Nc2nnc(C)n2N)c1	5889191	IUICYQSRFRJRIK-STBIYBPSSA-N	525.566	2.882	30	40	KFEB	
CCOc1ccc([C@@H]2/C(=C(\O)c3c(C)[nH]c(C(=O)OC)c3C)C(=O)C(=O)N2CCN2CCOCC2)cc1	9045804	IQIZFNZEUCEMHR-COUQNMRISA-N	511.575	2.571	30	40	KFEB	
COc1ccc(C(=O)OCC(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCCCN3)c2)cc1[N+](=O)[O-]	13148641	SNBGEHHZNZTBBV-UHFFFAOYSA-N	504.521	2.650	30	40	KFEB	
O=C(NC1=NCCS1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)NC1=NCCS1	102056979	QCEKMIPETYPYFS-UHFFFAOYSA-N	508.363	2.601	30	40	KFEB	
COC(=O)c1[nH]c(C)c(/C(O)=C2\C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(Cl)cc2)c1C	102530802	ADSZQWHAHDLDIP-PGVNHDJNSA-N	501.967	2.825	30	40	KFEB	
CN(CCOc1ccc(Br)cc1)CC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2)c1	13135825	MGWZWVKLRCDJKG-UHFFFAOYSA-N	509.426	2.869	30	40	KFEB	
CNC(=O)c1ncc(C#Cc2cc(C(=O)Nc3ccc(CN4CCN(CCO)CC4)c(C(F)(F)F)c3)ccc2C)n1C	71294545	SUXYGJZMCWKJJI-UHFFFAOYSA-N	582.627	2.869	30	40	KFEB	in-vitro
CCOc1ccc(/C=N/N[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1	408945320	HJDCMYDOPSSTKC-UCYCTBOASA-N	512.563	2.606	30	40	KFEB	
C=CCOc1c(I)cc([C@@H]2CC(=O)N=C3N=CNN32)cc1I	409387843	SBQUMCMWTQYJGR-NSHDSACASA-N	522.084	2.637	30	40	KFEB	
CCOC(=O)[C@@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)[C@H](O)c1ccccc1	79216677	DGZOAZONTZPAPL-ZFRJVUOWSA-N	653.769	2.894	30	40	KFEB	biogenic
COc1cc(/C=N/Nc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])cc(Br)c1O	12580227	RZGXHNHBHMOLEQ-RGVLZGJSSA-N	515.342	2.538	30	40	KFEB	
O=C(NCCCCCCO)C(F)(F)C(F)(F)O[C@](F)(C(=O)NCCCCCCO)C(F)(F)F	102055261	NJCXFRNRSUAAJQ-MRXNPFEDSA-N	504.415	2.797	30	40	KFEB	
C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)cc3OC)c(=O)n2[C@@H]1c1ccc(OC)cc1	2704395	SMCBZZZYGTYRNA-IGSWSUAKSA-N	506.580	2.990	30	40	KFEB	
COc1ccc(OC)c(NC(=O)C[C@@H]2S/C(=N/c3cccc(S(=O)(=O)N(C)C)c3)N(CCCN3CCOCC3)C2=O)c1	97981971	MGDVHUGGSKJRIE-JICWPOMZSA-N	619.766	2.637	30	40	KFEB	
COC(=O)c1[nH]c(C)c(/C(O)=C2\C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccc(Br)c2)c1C	102540640	RVPZLTINXYTTCV-PGVNHDJNSA-N	546.418	2.935	30	40	KFEB	
Cc1ccc(S(=O)(=O)N/N=C(/CC(=O)c2c(C)[n+]([O-])c3ccccc3[n+]2[O-])C(=O)Nc2ccc(C)c(C)c2)cc1	102944832	UVNNTGSWYKTIGN-WMMMYUQOSA-N	561.620	2.886	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1ccc(I)cc1	408947445	JITGSTULACMTDS-GKIICUKPSA-N	594.406	2.812	30	40	KFEB	
C=C1C(=O)[C@@]23[C@@H]4C[C@@H]5C(C)(C)CC[C@@H](OC(C)=O)[C@@]5([C@H](OC(C)=O)O4)[C@@H]2[C@@H](OC(C)=O)C[C@@H]1[C@H]3OC(C)=O	100359536	OHNDVAVRHSWTKG-VVPNOPHXSA-N	532.586	2.657	30	40	KFEB	
COC(=O)c1[nH]c(C)c(/C(O)=C2\C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccc(Br)c2)c1C	102540647	RVPZLTINXYTTCV-OBVHCKHUSA-N	546.418	2.935	30	40	KFEB	
CN1CCc2c(sc(NC(=O)CSCC(=O)Nc3sc4c(c3C#N)CCN(C)C4)c2C#N)C1	408586669	POMUKIJNOHJMGB-UHFFFAOYSA-N	500.675	2.839	30	40	KFEB	
CCCN1C(=O)[C@]2(C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCN2CCOCC2)c2ccccc21	24193189	YDCJSVYLQWEIGX-WWOZWPLTSA-N	531.609	2.831	30	40	KFEB	
COc1cc(C=Nn2c(O)nc3ccccc3c2=O)c(Br)c(Br)c1OCC(=O)O	409355970	FSWZDZHYZHJBOQ-UHFFFAOYSA-N	527.125	2.981	30	40	KFEB	
CCN1CCN(C(=O)/C(C#N)=c2/s/c(=C\c3cc(Br)c(O)c(OC)c3)c(=O)n2-c2cccc(C)c2C)CC1	97981715	YKGKGZDAFABOAD-JRCQEGJOSA-N	597.535	2.660	30	40	KFEB	
Cc1ccccc1OC[C@H](O)Cn1c(N/N=C/C(Cl)=C/c2ccc([N+](=O)[O-])cc2)nc2c1c(=O)n(C)c(=O)n2C	11852887	GOVSYEBOZNZWPA-JVVJIUFKSA-N	567.990	2.768	30	40	KFEB	
COc1cc([C@@H]2/C(=C(\O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCCN2CCOCC2)cc(OC)c1OC	102883678	VSFJXMQNDUQXOD-NPJIAGGLSA-N	554.596	2.628	30	40	KFEB	
CCOc1ccc(/C=N/N[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OC	408958114	VFYZTGIBGNJXDF-ZIAGWNQCSA-N	542.589	2.614	30	40	KFEB	
COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCC(=O)N1Cc2ccccc2C#Cc2ccccc21	1857791830	XOSOJWKHYZQWGG-UHFFFAOYSA-N	847.012	2.658	30	40	KFEB	
COc1cccc([C@H]2C(C(=O)c3c(C)nc4c(C)cccn34)=C(O)C(=O)N2CCN2CCOCC2)c1OC	8817119	TVWQGHSSMKBKPX-QHCPKHFHSA-N	520.586	2.879	30	40	KFEB	
COC(=O)c1ccc([C@H]2C(C(=O)c3c(C)nc4c(C)cccn34)=C(O)C(=O)N2CCN2CCOCC2)cc1	8826993	PZEFEBURIOUSFE-QHCPKHFHSA-N	518.570	2.648	30	40	KFEB	
C=CCn1c(=O)/c(=C2/Sc3ccc(OC)cc3N2C)s/c1=C1/C(=O)N(c2ccccc2)C(=S)N1C	53225853	DZHFBZFJQLHHQI-SRPFLQSCSA-N	522.677	2.784	30	40	KFEB	
CCOc1cc(Br)c(N2/C(=N\C(=O)CC#N)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1OCC	101311228	XJIXEAODQIKGOG-GYIZPYICSA-N	502.412	2.762	30	40	KFEB	
COCCCn1c(=O)/c(=C/c2ccc(Br)cc2)s/c1=C(\C#N)C(=O)NCc1ccccc1	102963269	WJNUMXRFAUTVCM-MYQHPHAUSA-N	512.429	2.528	30	40	KFEB	
C=C1[C@@H](O)[C@H]2/C=C\C[C@@H](C)C(=O)[C@](C)(O)/C=C\[C@@H](OC(C)=O)[C@]23C(=O)N[C@H](Cc2ccccc2)[C@@H]3[C@H]1C	103857259	SDZRWUKZFQQKKV-ABHBABPVSA-N	507.627	2.917	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1ccc(C2CCN(C)CC2)c([N+](=O)[O-])c1	408952898	OGWPMJJDFUPNSA-CXEJKDRBSA-N	610.668	2.925	30	40	KFEB	
C=C(CCC=C(C)C)[C@@H]1CC[C@@]2(C)[C@H]1[C@@H](O)C[C@H]1[C@]3(C)CC[C@@H](O)C(C)(C)[C@H]3[C@H](O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O[C@H]3O[C@H](C)[C@@H](O)[C@H](O)[C@@H]3O)C[C@@]12C	669679257	ZVTVWDXRNMHGNY-WSWJXIIASA-N	767.010	2.953	30	40	KFEB	
O=C(C1=C(O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2	8896946	NNXSTXXJWINBID-HSZRJFAPSA-N	509.515	2.667	30	40	KFEB	
CS(=O)(=O)OCCN(CCOS(C)(=O)=O)c1ccc(/C=N\c2ccc(C(=O)O)cc2)c(Cl)c1	104145027	QEIRUMGTVQLDTM-HMAPJEAMSA-N	518.997	2.548	30	40	KFEB	
COc1ccc(C(=O)N[C@H](CO)c2nnc(SCC(=O)Nc3sc4c(c3C#N)CCCC4)n2C)cc1	109026946	WILWNVHYZDNFPS-GOSISDBHSA-N	526.644	2.830	30	40	KFEB	
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@@]2(O)C(=O)COC(=O)CCC(=O)NCc1ccc(C(=O)O)cc1	118920328	YJMJOHNBMDLHMO-JSNPULCISA-N	593.673	2.903	30	40	KFEB	
COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1C	9086326	ODMMETWAKFMBSP-XMMPIXPASA-N	526.586	2.940	30	40	KFEB	
COc1c([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCN2CCCC2)cc2c(c1OC)OCO2	85413522	PXOYGRPGSIFURW-OAQYLSRUSA-N	524.526	2.835	30	40	KFEB	
COc1ccc(S(=O)(=O)N/N=C/c2cc(I)cc(I)c2O)cc1	104228367	MJMNDURQLFZRLH-CAOOACKPSA-N	558.135	2.922	30	40	KFEB	
CCCCCCCCCCNC(=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)OC(C)=O	104329955	LXDXDHMHJIMYDW-ZKGSSEMHSA-N	545.626	2.533	30	40	KFEB	
CCCN1C(=O)[C@]2(C(C(=O)c3ccc(C)c(F)c3)=C(O)C(=O)N2CCN2CCOCC2)c2ccccc21	24147311	AZFXVYWNDCNXAM-MUUNZHRXSA-N	507.562	2.955	30	40	KFEB	
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)ON1C(=O)CCC1=O	70696873	CBFHDXFEGKQLNJ-YDJYJGKJSA-N	543.613	2.749	30	40	KFEB	biogenic
CC(=O)O[C@@H](C)[C@H]1C2=C(C(=O)C[C@@]1(C)O)C(=O)c1c(ccc(-c3ccc4c(c3O)C(=O)C3=C(C4=O)[C@H]([C@@H](C)OC(C)=O)[C@@](C)(O)CC3=O)c1O)C2=O	72127756	JGYMCVKOAWXEOB-YVQZPRAVSA-N	714.676	2.699	30	40	KFEB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCC#N)c3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	408922405	DVEOHJKFMNPOQC-FOOJEKODSA-N	502.596	2.767	30	40	KFEB	
COc1cc(C(=O)O[C@H](C(=O)Nc2ccccc2C#N)[C@@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)O)ccc1OC(C)=O	409383183	UYXJUNPKNAKLMX-RRPNLBNLSA-N	634.550	2.900	30	40	KFEB	
O=C(C1=C(O)C(=O)N([C@H]2CCS(=O)(=O)C2)[C@H]1c1ccc(Cl)cc1)c1ccc(S(=O)(=O)N2CCCC2)cc1	98048205	SZLRCAOLEKDEPJ-UGKGYDQZSA-N	565.069	2.890	30	40	KFEB	
COC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCC#N)c3)c(=O)n2[C@H]1c1cc(Cl)ccc1OC	408941732	KEQSWSMYJAXRBE-AFHVAHMMSA-N	509.971	2.973	30	40	KFEB	
Cc1cc(Br)c(N2/C(=N/C(=O)CCC(=O)O)S[C@@H]3CS(=O)(=O)C[C@@H]32)c(Br)c1	101240036	SFXGQULDYWYMND-TZRHOOKKSA-N	540.255	2.986	30	40	KFEB	
COc1cc(C(=O)/N=c2\c(C#N)cc3c(=O)n4cccc(C)c4nc3n2C[C@@H]2CCCO2)cc(OC)c1OC	101240859	MEQHVFVMLJPELV-ARKCQFNISA-N	529.553	2.775	30	40	KFEB	
C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(N(C)C)cc2)C(C(=O)OCC)=C(C)N=3)cc1	408919832	DCPQWBHNRLGMJF-PBMMVTTKSA-N	501.608	2.876	30	40	KFEB	
CCOC(=O)[C@H](C)Oc1c(I)cc(C=Nn2c(O)nc3ccccc3c2=O)cc1OC	409354444	FLRYGYPVVGQHEY-LBPRGKRZSA-N	537.310	2.928	30	40	KFEB	
C[C@H](C(=O)NCCN1CCOCC1)[C@@H]1CC[C@@]2(C)CC[C@H](NC(=O)c3ccc(C#N)cc3)[C@@H](C)[C@@H]2[C@H]1O	67898891	JEPLQQSQRWVWGH-DQZWIMGWSA-N	510.679	2.564	30	40	KFEB	biogenic,in-vitro
CC(C)(C)OC(=O)NCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(OC(F)(F)F)cc1	32507591	INCKMMVLCNIIFE-BXXOHGBZSA-N	509.528	2.711	30	40	KFEB	
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCN2CCOCC2)cc(OC)c1OC	38140407	AVPLZNYCZADGQH-SSOJOUAXSA-N	538.597	2.946	30	40	KFEB	
COC(=O)[C@H]1C[C@H](O)CN1C(=O)CCC(=O)OCC(=O)[C@@]1(OC(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C	70697101	WSRHHQCMLAXXNM-YFZHPASFSA-N	615.720	2.848	30	40	KFEB	biogenic
CCCCCCCCC(=O)Nc1nc(O)c2ncn([C@@H]3O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]3OC(C)=O)c2n1	104126081	PXUPTAOZYHRXCC-IYZVWZADSA-N	549.581	2.545	30	40	KFEB	
CC(C)C[C@@H](NC(=O)[C@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)C(C)C)C(=O)O	150344961	NHWZGIMDIXDYFH-MRYVNNFTSA-N	674.832	2.869	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1ccc(OC)c(Br)c1	408942975	DXWZRQNNPOXEDT-YBCQCJFKSA-N	577.432	2.978	30	40	KFEB	
NC1=C(c2nc3ccccc3s2)C(=O)CN1c1cccc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)c1	13148967	PRBIJMMQVAYAFT-UHFFFAOYSA-N	519.608	2.590	30	40	KFEB	
O=[N+]([O-])c1cc(Cc2ccccc2)cc(/C=N/Nc2nc(N3CCCC3)nc(N3CCOCC3)n2)c1O	59417912	HFTQCYZWYNJCEQ-YZSQISJMSA-N	504.551	2.959	30	40	KFEB	
C=C1C(=O)[C@@]23[C@@H](OC)C[C@H]4[C@@]5(CCC[C@@]4(C)[C@H](OC(C)=O)OC5)[C@@H]2[C@@H](OC(C)=O)C[C@@H]1[C@H]3OC(C)=O	4268234	XOXTWFJKCXPOAK-FRFRRHDRSA-N	504.576	2.742	30	40	KFEB	
C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1	13775054	SYMRJBLVBUSFJQ-QCHPHUCNSA-N	521.551	2.890	30	40	KFEB	
Cc1ccc(S(=O)(=O)N/N=C(\CC(=O)c2c(C)[n+]([O-])c3ccccc3[n+]2[O-])C(=O)Nc2ccc(C)c(C)c2)cc1	18268515	UVNNTGSWYKTIGN-JJKYIXSRSA-N	561.620	2.886	30	40	KFEB	
CC(=O)O[C@H]1C[C@H]2[C@@H](C)C(=O)[C@]3([C@H](OC(C)=O)C[C@@H]4C(C)(C)CC[C@@H](OC(C)=O)[C@@]4(C=O)[C@@H]13)[C@@H]2OC(C)=O	68602199	UHPAGHWLBRYKCY-WUHGQKMFSA-N	534.602	2.580	30	40	KFEB	
COC(=O)[C@H]1C[C@@H](O)CN1C(=O)CO/N=C1/C=C[C@@]2(C)C(=C1)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O	85893534	RSSJAWQURRUEQB-ARKHJJSZSA-N	500.636	2.984	30	40	KFEB	
CCN1C(=O)[C@]2(C(C(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)=C(O)C(=O)N2CCN(C)C)c2ccccc21	98046879	VDUUDBMHXFRCRB-GDLZYMKVSA-N	566.680	2.522	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1cc(OC)c(OC)cc1Br	408951411	NEZVGYUQIRHZNY-FYCKPONMSA-N	607.458	2.987	30	40	KFEB	
CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@H](C(=O)OCC(=O)Nc2sccc2C#N)C(C)C)c1	14359100	XRGFYYLFARDKBT-FQEVSTJZSA-N	520.633	2.587	30	40	KFEB	
COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)CCC(=O)OCC(=O)[C@@]1(OC(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C	70697109	WSRHHQCMLAXXNM-XIACMKBSSA-N	615.720	2.848	30	40	KFEB	biogenic
C[C@@H]1O[C@@H](CC(=O)O)Cc2c(O)c3c(c(O)c21)C(=O)C=C(C1=CC(=O)c2c(O)c4c(c(O)c2C1=O)C[C@@H](CC(=O)O)O[C@@H]4C)C3=O	8585930	FBNNGLOOTUKVRQ-IWDIQUIJSA-N	634.546	2.774	30	40	KFEB	in-vitro
O=C(COc1c(Br)cc(C=Nn2c(O)nc3ccccc3c2=O)cc1Br)N1CCOCC1	409353216	IEXOUVIRRWGBKV-UHFFFAOYSA-N	566.206	2.747	30	40	KFEB	
Cc1c(Cl)ccc2c1NC(=O)[C@@]21N[C@@H](CCC(N)=O)[C@H]2C(=O)N(c3sc4c(c3C#N)CCCC4)C(=O)[C@H]21	2221475	LFVZVNRHLHUCRK-RCUCPDRNSA-N	538.029	2.651	30	40	KFEB	
COc1cc(/C=N/Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)ccc1OC(=O)c1ccc(C)cc1	113831452	AWYNBZGSJVTZLM-MTDXEUNCSA-N	533.589	2.527	30	40	KFEB	
CC(C)C[C@@H](NC(=O)[C@@H](CCc1ccccc1)NC(=O)CN1CCOCC1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](CC(C)C)C(=O)[C@]1(C)CO1	208058118	BLMPQMFVWMYDKT-BYNPFXMISA-N	719.924	2.584	30	40	KFEB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCC#N)c(=O)n2[C@H]1c1cc(OC)c(OC)c(OC)c1	408818873	QVRTVPDRDSEASH-FCKOQQNDSA-N	549.605	2.726	30	40	KFEB	
C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3OC)c(=O)n2[C@H]1c1ccc(OC)cc1	2279914	GXEGFCDDLBVSOD-RNHBDSLOSA-N	506.580	2.990	30	40	KFEB	
CN1C(=O)/C(=N\Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c2ccccc21	103766148	XFCVJIITBAYMPG-FVDSYPCUSA-N	534.598	2.894	30	40	KFEB	
C=CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)nnc1[C@H](CO)NC(=O)c1ccc(OC)cc1	106626037	QFMOVCUMBIHUSG-FQEVSTJZSA-N	526.575	2.884	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1ccc(OCC#N)c(Br)c1	408958300	VMFFYRQEADRSQL-ZSQGPWTJSA-N	602.442	2.872	30	40	KFEB	
O=C(COc1c(Br)cc(Cl)cc1C=Nn1c(O)nc2ccccc2c1=O)N1CCOCC1	409342666	GZJDPDPLTSRNRM-UHFFFAOYSA-N	521.755	2.638	30	40	KFEB	
CCCN1C(=O)[C@@]2(C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2CCCN2CCOCC2)c2ccccc21	24147522	PRDFFGTWDYRZGJ-LJAQVGFWSA-N	519.598	2.907	30	40	KFEB	
COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN2CCOCC2)cc(Br)c1O	53308061	QWZXMMAFZAGPJZ-QFIPXVFZSA-N	575.412	2.845	30	40	KFEB	
COC1=C(C2=C(OC)C(=O)c3cc4c(c(O)c3C2=O)C(=O)O[C@@H](C)C4)C(=O)c2c(cc3c(c2O)C(=O)O[C@@H](C)C3)C1=O	86004241	WICHONPZVIYWIJ-UWVGGRQHSA-N	574.494	2.560	30	40	KFEB	
Cc1nc2c(C)cccn2c1/C(O)=C1\C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccc([N+](=O)[O-])cc1	102538368	QJXIWYAMRQGMFF-IAMBOQNYSA-N	505.531	2.613	30	40	KFEB	
C=CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1[C@H](CO)NC(=O)c1ccc(OC)cc1	108239025	VPBASRGZMIPMRV-IBGZPJMESA-N	512.548	2.575	30	40	KFEB	
N#Cc1ccccc1COc1ccc(/C=C2/NC(=O)N(CC(=O)O)C2=O)cc1I	408593662	QVHJQUSHZLPPGN-LZYBPNLTSA-N	503.252	2.719	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1c[nH]c2ccccc12	408958136	VIDICEFHDXQWSS-IYYUSKDXSA-N	507.547	2.688	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C\c1cc(I)c(O)c(OCC)c1	408959420	ZPAKULQQDGWHLN-BNFQWOKNSA-N	654.458	2.916	30	40	KFEB	
C=CCN1C(=O)/C(=c2/sc3n(c2=O)[C@H](c2ccc(OC)cc2)C(C(=O)OCC)=C(C)N=3)c2ccccc21	631706	KUXRRQROVZQUQQ-ZHHPLPSFSA-N	515.591	2.710	30	40	KFEB	
COc1ccc(/N=C2\S[C@H]3[C@H]([C@@H](O)[C@H](O)C[C@@H]3C(N)=O)N2Cc2ccc(-c3ccccn3)cc2)cc1	8253771	UMIWERQIKAOUMB-JEGHHXPDSA-N	504.612	2.958	30	40	KFEB	biogenic,in-vitro
COc1ccc(N2/C(=N\C(=O)CCNC(=O)OC(C)(C)C)S[C@H]3CS(=O)(=O)C[C@H]32)cc1Cl	32639356	OUYRYZWYMKAHHZ-ODRGZRGXSA-N	504.030	2.865	30	40	KFEB	
Cn1c(N/N=C2/C(=O)Nc3ccc(Br)cc32)nc2c1c(=O)n(Cc1ccc(Cl)cc1)c(=O)n2C	1873594	GYKGVENWVDGGIK-UHFFFAOYSA-N	542.781	2.666	30	40	KFEB	
CCCN1C(=O)[C@@]2(C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCN(C)C)c2ccccc21	20461114	IWPAURNKAOALEZ-NDEPHWFRSA-N	505.571	2.899	30	40	KFEB	
C=CCn1c(=O)/c(=C2/Sc3ccccc3N2C)s/c1=C1/C(=O)N(c2cccc([N+](=O)[O-])c2)N=C1C	33907828	HGLBNEZCLXQMNQ-CBAIGBLSSA-N	505.581	2.885	30	40	KFEB	
C#C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@H](CC(=O)O)C(=O)O)CC[C@]4(C)[C@H]3CC[C@@]21C	118918840	ZNPMAJFFZNNVII-XMRLFLLTSA-N	500.592	2.730	30	40	KFEB	
C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NCc1ccccn1	118920331	ZRRGVFNBIQCWFU-UWTRAULOSA-N	550.652	2.600	30	40	KFEB	
CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)N(CCC#N)CCC#N)cc3)cc2)s1	6142698	NQMBAAAXLHZJMQ-UHFFFAOYSA-N	573.682	2.972	30	40	KFEB	
O=[N+]([O-])c1ccc(Cl)c(-c2ccc(/C=N/Nc3nc(N4CCOCC4)nc(N4CCOCC4)n3)o2)c1	8872359	WYRMMVMVJHDTDZ-ZVHZXABRSA-N	514.930	2.812	30	40	KFEB	
COCCCn1/c(=N/C(=O)c2cc(OC)c(OC)c(OC)c2)c(C#N)cc2c(=O)n3cccc(C)c3nc21	9191365	AKDMZOCMVOINBR-BGABXYSRSA-N	517.542	2.633	30	40	KFEB	
COc1ccc([C@H]2C(C(=O)c3cc(Cl)ccc3O)=C(O)C(=O)N2CCN2CCOCC2)cc1OC	20310388	GBBGUFGILIYESV-QFIPXVFZSA-N	502.951	2.973	30	40	KFEB	
CC(C)(C)OC(=O)NCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(Br)c1	32634592	OJQDALHAPCPZFL-NUQINZOXSA-N	518.455	2.965	30	40	KFEB	
CCCCCCCCC[C@@H]1CC(=O)NCC(=O)N[C@H](C(C)C)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](C)C(=O)N[C@H](C(C)C)C(=O)O1	73292995	KIJLRIARMCGDJZ-JWGSBEAQSA-N	637.863	2.876	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C\c1cc2c(cc1Br)OCO2	408957230	SMDKTADVMDLHNV-UIPVBVNDSA-N	591.415	2.698	30	40	KFEB	
CCOC(=O)[C@@H](C)Oc1c(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc(Br)cc1[N+](=O)[O-]	409405581	HYEGSHYOZGVFDT-XJSUSFSXSA-N	506.309	2.829	30	40	KFEB	
CCOc1cc(/C=N/N[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)ccc1OC	408940667	CFXPUVGJHHVMQT-FZEVWGAESA-N	542.589	2.614	30	40	KFEB	
C=CCn1c(CNC(=O)c2ccccc2)nnc1SCC(=O)Nc1cccc(C(=O)N2CCOCC2)c1	409341162	DBVSXVZROIDNHC-UHFFFAOYSA-N	520.615	2.597	30	40	KFEB	
CCOC(=O)[C@H](C#N)[C@H](c1ccc2c(c1)OCO2)N1CCN([C@@H](c2ccc3c(c2)OCO3)[C@@H](C#N)C(=O)OCC)CC1	22584177	GHLPQSPCTMIIBF-BIQRORRISA-N	576.606	2.950	30	40	KFEB	
C#CCOc1ccccc1/C=c1/sc2n(c1=O)[C@@H](c1ccc(OCC(=O)OC)c(OCC)c1)C(C(=O)OCC)=C(C)N=2	409036637	RZVRJGVZPOJBQS-DBLMTGOPSA-N	590.654	2.761	30	40	KFEB	
C=CCN1C(=O)N/C(=C/c2cc(I)cc(Br)c2OCC(=O)O)C1=O	409138543	DMMWBZZXBDYWMU-VZUCSPMQSA-N	507.078	2.596	30	40	KFEB	
COC[C@H](C)N1C(=O)[C@@H](CC(=O)Nc2ccccc2)S/C1=N\c1cccc(S(=O)(=O)N(C)C)c1	12661089	IIDAGCAMQLDBKX-ACDYFQRRSA-N	504.634	2.932	30	40	KFEB	
C=CCOC(=O)[C@H]1[C@@H](c2ccc(C(C)(C)C)cc2)[C@@H](C(=O)OCC=C)[C@]2(C[C@]1(C)O)NNC(=S)N2	33821850	USHMZOYLGMPHSA-IAWGUMCBSA-N	501.649	2.592	30	40	KFEB	
CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N\OCC(=O)N5C[C@@H](O)C[C@@H]5C(=O)O)CC[C@]4(C)[C@H]3CC[C@@]21C	85902456	XQSIZZYMZMLQIG-CGZIZZTASA-N	516.635	2.688	30	40	KFEB	
COc1ccccc1[C@@H]1/C(=C(\O)c2cnn(-c3ccccc3)c2C)C(=O)C(=O)N1CCN1CCOCC1	102879384	NKRJSKAXEXKITA-NPJIAGGLSA-N	502.571	2.943	30	40	KFEB	
C=C1[C@@H](C)[C@H]2[C@@H](Cc3ccccc3)NC(=O)[C@@]23[C@H](/C=C\C[C@H](C)C(=O)[C@](C)(O)/C=C\[C@H]3OC(C)=O)[C@H]1O	100006444	SDZRWUKZFQQKKV-YFQGFLRWSA-N	507.627	2.917	30	40	KFEB	in-vitro
C#C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N\OCC(=O)N5C[C@@H](O)C[C@H]5C(=O)OC)CC[C@]4(C)[C@H]3CC[C@@]21C	118918913	KWFXBLQFMPZAOR-BTURRCOCSA-N	512.647	2.821	30	40	KFEB	
COc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)c(Br)cc1OCC(N)=O	409292969	JAAPYYPNNGOAKY-UHFFFAOYSA-N	524.169	2.985	30	40	KFEB	
C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2cc(OC)ccc2OC)C(C(=O)OCC)=C(C)N=3)cc1	408927562	QGYKONOHBSNAQF-GJFKPFFXSA-N	518.591	2.828	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C\c1cc(I)c(OC(C)=O)c(OC)c1	408939237	BAPUSOMTKMWKTC-OSTBNYECSA-N	682.468	2.746	30	40	KFEB	
COC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCC#N)c(=O)n2[C@H]1c1cc(Cl)ccc1OC	408955611	YOSHHBQLUNLRPB-AFHVAHMMSA-N	509.971	2.973	30	40	KFEB	
COc1cc(OC)c2c(c1Cl)O[C@]1(C(=O)/C(=C/NCc3nc(CS(=O)(=O)c4ccccc4)no3)C(=O)C[C@@H]1C)C2=O	1547211102	NSWFILUDZQEVHG-KKKHGMOCSA-N	602.021	2.880	30	40	KFEB	
CCOc1cc([C@H]2C(C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)=C(O)C(=O)N2CCCOC)ccc1O	9013470	PHUBEFHSXKFXSB-QFIPXVFZSA-N	518.588	2.656	30	40	KFEB	
CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@]23C(=O)N(CC)c2ccccc23)cc1	24147468	LNJURIMUROJGAJ-NDEPHWFRSA-N	505.571	2.517	30	40	KFEB	
C=CCc1cc(/C=N/N[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)ccc1O	408943464	FTHWVNPXRGIPSK-JEDKUOLWSA-N	524.574	2.641	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C\c1cc(Cl)ccc1OC	408956045	RCMBRNMICKTBCN-MYGYPVSFSA-N	532.981	2.869	30	40	KFEB	
COc1cc([C@@H]2C3=C(C[C@@H](C)[C@]4(Oc5c(Cl)c(OC)cc(OC)c5C4=O)C3=O)Nc3c2c(=O)n(C)c(=O)n3C)ccc1OCC(=O)O	604404869	HKOVRDPKRBNJOV-XERWKDHVSA-N	668.055	2.661	30	40	KFEB	biogenic
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccc(Cl)c2)c1C	9177523	GULYNDYDKOGSPW-NRFANRHFSA-N	501.967	2.982	30	40	KFEB	
CO[C@@H]1C[C@H](O[C@@H]2CC[C@]3(/C=N/CCCO)[C@H]4CC[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)O[C@H](C)[C@H]1O	70708185	WTQHODYWVQKVNY-DPZIMOFUSA-N	605.769	2.688	30	40	KFEB	biogenic
CCOC(=O)[C@H]1NC(=C2C(=O)c3ccccc3C2=O)[C@H]2C(=O)N(N(C)c3ncc(C(F)(F)F)cc3Cl)C(=O)[C@H]12	100910837	AHJCNTNLMQYJJX-MPGHIAIKSA-N	562.888	2.574	30	40	KFEB	
CC(C)C[C@@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)C(=O)O	118917718	VJAKAZCKYRUDIB-RUOMQGBRSA-N	573.683	2.504	30	40	KFEB	
CCOC(=O)COc1ccc(/C=N/N[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1I	408937974	AGSOUKKDIWKNNR-PEHSIZJOSA-N	696.495	2.754	30	40	KFEB	
NC(=S)N/N=C1\C[C@H](n2nc(-n3nc(-c4ccccc4)cc3-c3ccccc3)n(N)c2=S)[C@@H]2CO[C@@H]1O2	101624254	PVVAXQAEUKPXFZ-FYWVUNMWSA-N	533.643	2.523	30	40	KFEB	
CCOC(=O)COc1ccc(/C=N/N[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OCC	408952438	OBSQQEKKHNQJOV-FAVAOHFXSA-N	614.652	2.548	30	40	KFEB	
CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCCCN3)cc2)C1=O	12882604	KXXAMCBAYNHVFA-VWLOTQADSA-N	511.604	2.733	30	40	KFEB	
CCOC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CO/N=C1\C=C2CC[C@H]3[C@@H]4CC[C@](O)(C(=O)CO)[C@@]4(C)C[C@H](O)[C@@H]3[C@@]2(C)CC1	85907457	KTYRLEPPWJJZSP-VGYFENQXSA-N	626.747	2.581	30	40	KFEB	
CC(C)(CC(=O)O)CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@H](O)C[C@@]21C	118929962	RLELKNVPYJNKPC-MZMAHJFPSA-N	502.604	3.000	30	40	KFEB	
C=C1[C@H]([C@]2(C)C=CC(=O)O[C@]3(C)COC(=O)C[C@@H]32)[C@H](OC=O)[C@H](OC(=O)[C@H](O)[C@H](C)CC)[C@]2(C)[C@H](c3ccoc3)C[C@@H](OC(C)=O)[C@@]12O	254194558	ZZPUDABJUQWRTM-GJEOCICKSA-N	672.724	2.924	30	40	KFEB	
CCc1nnc(S)n1/N=C/c1cc(I)cc(I)c1O	408849558	WPPHPKLWKKOOKJ-LHHJGKSTSA-N	500.103	2.926	30	40	KFEB	
CCOC(=O)COc1ccc(/C=N/N[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1I	408937977	AGSOUKKDIWKNNR-RMGBIMRUSA-N	696.495	2.754	30	40	KFEB	
N/C(=N/C(=O)/C(=C\c1ccc(Br)cc1)NC(=O)c1ccccc1)Nc1ccc(S(N)(=O)=O)cc1	6190208	LUSKOQIBCXKPBN-XSFVSMFZSA-N	542.415	2.821	30	40	KFEB	
CC(C)(C)OC(=O)NCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1cccc(Br)c1	32634595	OJQDALHAPCPZFL-YRUMVWCYSA-N	518.455	2.965	30	40	KFEB	
CC1=C(CO)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@@]56[C@@H](O)C(N5CC5)=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1	118930050	NIXMTMDOMRNYIH-SBPUBTLKSA-N	511.659	2.996	30	40	KFEB	
C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c4)c(=O)n32)cc1	408857598	VHBRPURONPMWNW-VLOXRPPESA-N	566.548	2.885	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C\c1cc(I)c(O)c(OCC)c1	408959421	ZPAKULQQDGWHLN-HNCLAJARSA-N	654.458	2.916	30	40	KFEB	
c1nc(N2CCOCC2)sc1[C+](c1cnc(N2CCOCC2)s1)c1cnc(N2CCOCC2)s1	16383532	UDCNZUJUEFGHKS-UHFFFAOYSA-N	519.698	2.585	30	40	KFEB	
CCOC(=O)[C@@H]1/C(=N/NS(=O)(=O)c2ccc(C)cc2)C[C@](C)(O)[C@@H](C(=O)OCC)[C@@H]1c1ccccc1	36556730	XCHGLPYETUMHLR-HQPWBYKYSA-N	516.616	2.926	30	40	KFEB	
Cn1c(=O)[nH]c(=O)c2c1nc(N/N=C/c1ccc([N+](=O)[O-])cc1)n2C[C@H](O)COc1ccc(Cl)cc1Cl	6444790	BREMUKJOVQQXNO-MEOIJSEFSA-N	548.343	2.524	30	40	KFEB	
CCC(=O)O[C@H]1CC(=O)O[C@@H](C)C/C=C/C=C/[C@@H](O)[C@@H](C)C[C@@H](CC=O)[C@@H](O[C@H]2O[C@H](C)[C@H](O[C@H]3C[C@](C)(O)[C@H](OC(=O)CC)[C@H](C)O3)[C@@H](N(C)C)[C@@H]2O)[C@@H]1OC	584577482	DMUAPQTXSSNEDD-LQPIEDRNSA-N	813.979	2.767	30	40	KFEB	
COc1cc(/C=N/Nc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2cccc(Cl)c2)cc(OC)c1OC	9470847	BCKQHVXUSNIMIK-RPPGKUMJSA-N	512.954	2.607	30	40	KFEB	
C[C@@H](C(=O)Oc1ccc([C@H]2C3=C(Nc4c2c(=O)n(C)c(=O)n4C)c2ccccc2C3=O)cc1)N1C(=O)c2ccccc2C1=O	103748106	DSGYFQFOIMTABC-HJPURHCSSA-N	588.576	2.839	30	40	KFEB	
Cc1ccc(S(=O)(=O)/N=C(/CN2CCOCC2)N2CCN(S(=O)(=O)c3ccc(C)cc3)[C@@H]2C(C)C)cc1	100770894	IJFREWFQSUQAAU-ORDRXGECSA-N	548.731	2.711	30	40	KFEB	
C#C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)O)C(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C	118918804	WYUHHNBNAWYJMG-WOWFUVDKSA-N	599.725	2.871	30	40	KFEB	
CCCCCN1C(C(=O)c2ccccc2)=C(NC(=O)CN2C(=O)CCC2=O)c2ccccc2S1(=O)=O	2233604	LPCAYUMOPXQPHC-UHFFFAOYSA-N	509.584	2.698	30	40	KFEB	
C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NCc1cccnc1	118920339	OSYJQPDGJSDHNJ-UWTRAULOSA-N	552.668	2.824	30	40	KFEB	
Cn1c(=O)[nH]c(=O)c2c1nc(N/N=C/c1cccc([N+](=O)[O-])c1)n2C[C@@H](O)COc1ccc(Cl)cc1Cl	6444798	WOKNFBHZMMIPPV-MPRHSDCASA-N	548.343	2.524	30	40	KFEB	
O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1/N=C/c1cc(I)c(O)c(I)c1	408724151	GMUGQGOEJVVFTK-VSWZPPHTSA-N	534.091	2.742	30	40	KFEB	
CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccccc4OCC#N)c(=O)n32)cc1OCC	408946112	OXPRGPATUCMYOM-GBQPJDALSA-N	519.579	2.718	30	40	KFEB	
C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)ccc3OC)c(=O)n2[C@@H]1c1ccc(OC)cc1	2708993	MRUCFGVQHOBARO-DLBLZJNESA-N	506.580	2.990	30	40	KFEB	
COc1ccc(N2/C(=N\C(=O)Cc3ccc(OC)c(OC)c3)S[C@H]3CS(=O)(=O)C[C@@H]32)c(OC)c1	101312792	QRIAUSZYOSFMHH-YQUDVVSFSA-N	506.602	2.565	30	40	KFEB	
COc1cccc(/C(O)=C2\C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)c1	102925315	HCGWBYMUMSJQCU-SBXHHDGASA-N	526.586	2.865	30	40	KFEB	
C=CCn1c(CNC(=O)/C=C/c2ccc(OC)c(OC)c2)nnc1SCC(=O)Nc1nccs1	107986094	OOFFHWKMKVDPLX-SOFGYWHQSA-N	500.606	2.998	30	40	KFEB	
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2	118921085	GQCRLEVUEASHLP-CDDFJOFRSA-N	526.626	2.855	30	40	KFEB	
CC(=O)O[C@H]1[C@H](CO[C@H]2O[C@H](C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]2OC(C)=O)O[C@@H](O[C@@H]2CC[C@]3(C=O)[C@@H]4CC[C@]5(C)[C@H](c6ccoc(=O)c6)CC[C@]5(O)[C@H]4CC[C@@]3(O)C2)[C@H](OC(C)=O)[C@H]1OC(C)=O	257347138	VEYKKASUDGUTGW-QPJCXPIDSA-N	977.019	2.637	30	40	KFEB	
C=CCN1C(=O)/C(=c2/sc3n(c2=O)[C@@H](c2ccc(Cl)cc2)C(C(=O)OC)=C(C)N=3)c2ccccc21	638139	NCWBQYZIGHTWAS-MRJHHRETSA-N	505.983	2.964	30	40	KFEB	
COC(=O)CN1C(=O)N/C(=C/c2cc(Br)c(OCc3ccccc3C#N)c(OC)c2)C1=O	9259563	VQOHTZGQQDULML-CAOOACKPSA-N	500.305	2.974	30	40	KFEB	
CCOC(=O)COc1ccc(/C=N/N[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OCC	408952849	OBSQQEKKHNQJOV-JPLVKNIASA-N	614.652	2.548	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1ccc(Br)o1	408955581	QREDMLXKDXDOAU-NANPPUGASA-N	537.367	2.563	30	40	KFEB	
C#CCOc1ccc(Br)cc1/C=N\N[C@@H](O)COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OCC	408957460	TUEQTMHVPHASIY-DTKWVCNXSA-N	601.454	2.982	30	40	KFEB	
COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(OC)c(OC)c2)cc1OC	20171511	BFLRJLARRXSQFY-XMMPIXPASA-N	512.559	2.632	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C\c1cc(Br)c(OC(C)=O)c(OC)c1	408948492	KKJXGTMBSNKZAY-QOZUPEJLSA-N	635.468	2.904	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1	408950594	MJCFGJSJEOBLAU-FJLGLVMOSA-N	547.952	2.769	30	40	KFEB	
C[C@@H](O)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OCC(=O)/C=C1/N(C)c2ccccc2C1(C)C	14359747	ZHTRCDTVRSTHJY-QCIFPNHASA-N	507.008	2.792	30	40	KFEB	
C=C1[C@H](O)[C@@]2(O)OC[C@]34[C@@H]2[C@@]2(C)[C@H](O)C(=O)C=C(C)[C@@H]2C[C@H]3OC(=O)[C@H](OC(=O)C/C=C(\C)CCCCC)[C@H]14	102948513	JNBOCJQZCHEASA-TVZXUYBUSA-N	544.641	2.525	30	40	KFEB	
CCOc1ccc([C@H]2C(C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)=C(O)C(=O)N2CCOC)cc1OC	9359614	BNDDZAOJSNSIRT-QFIPXVFZSA-N	518.588	2.569	30	40	KFEB	
C=CC/N=C/[C@]12CC[C@@H](O[C@H]3C[C@@H](O)[C@H](O)[C@@H](C)O3)C[C@@]1(O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@@]12O	118921198	OCOPISHUWCHCIR-JYGJXJTASA-N	573.727	2.837	30	40	KFEB	
CCOC(=O)COc1c(I)cc(/C=N/Nc2ncccc2[N+](=O)[O-])cc1OC	409103990	XVVDWXPNYMKDON-AWQFTUOYSA-N	500.249	2.991	30	40	KFEB	
COc1cc(OC)c2c(c1Cl)O[C@@]1(C(=O)C3=C(C[C@H]1C)Nc1c(c(=O)n(C)c(=O)n1C)[C@H]3c1cc(OC)c3c(c1)OCO3)C2=O	604404589	FDJGBISLLSGWIE-XOQCWRCGSA-N	638.029	2.926	30	40	KFEB	biogenic
Cc1c(Cl)ccc2c1NC(=O)[C@@]21N[C@H](CCC(N)=O)[C@H]2C(=O)N(c3sc4c(c3C#N)CCCC4)C(=O)[C@H]21	2221472	LFVZVNRHLHUCRK-ZFUOYSMOSA-N	538.029	2.651	30	40	KFEB	
COc1cc([C@@H]2c3cc4c(cc3[C@H](OC(=O)C[n+]3ccccc3)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OC	5731923	KXUOHLZMIKUHDO-VIIGGRGYSA-N	534.541	2.948	30	40	KFEB	
CC(=O)O[C@H]1[C@@H](C)C2=CC(=O)C3=C(O[C@@]4(C)CC[C@H]5O[C@@H](C(C)(C)O)C[C@@H](OC(C)=O)[C@]5(C)[C@H]4[C@H]3O)[C@@]23O[C@@H](C)[C@@]13C	252515685	MPCIDUFOTGXABA-UTTFMWLOSA-N	588.694	2.921	30	40	KFEB	biogenic,in-vitro
CCOC(=O)[C@H](C#N)[C@@H](c1ccc2c(c1)OCO2)N1CCN([C@@H](c2ccc3c(c2)OCO3)[C@@H](C#N)C(=O)OCC)CC1	22584168	GHLPQSPCTMIIBF-OOIQZMFUSA-N	576.606	2.950	30	40	KFEB	
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NCCCn1ccnc1	70697573	RYQGATQKZXBYNI-QBRHEHFTSA-N	569.699	2.516	30	40	KFEB	biogenic
CCN(CC)c1ccc(N2/C(=N\C(=O)CNC(=O)OC(C)(C)C)S[C@H]3CS(=O)(=O)C[C@H]32)c(C)c1	101319378	KYISBRJYIOPAAS-JVZWFSMOSA-N	510.682	2.967	30	40	KFEB	
Cc1c(/C(O)=C2\C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc([N+](=O)[O-])cc2)cnn1-c1ccccc1	102932905	YUQSCMWVIAWIAI-NXLSWJSLSA-N	517.542	2.843	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1cc(OC)c(OCC(=O)OC)cc1Br	408948988	LFAFSQRIZGSNIQ-LYDNPOASSA-N	665.494	2.530	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1cc(Cl)c(OCC(=O)O)c(OCC)c1	408955943	RBNAGVBBDGGMJB-CRNNCATQSA-N	621.043	2.723	30	40	KFEB	
C#CCOc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)O)cc3)C2=O)cc1OC	408944813	VLHGTMPHNDHNKP-OQLLNIDSSA-N	546.273	2.676	30	40	KFEB	
COc1cc([C@H](CC(=O)NCc2nc(N)n[nH]2)C2=C(O)[C@]3(Oc4c(Cl)c(OC)cc(OC)c4C3=O)[C@H](C)CC2=O)ccc1O	1547208792	OWAQPGUAJTXSDL-KMVZRZSCSA-N	628.038	2.997	30	40	KFEB	biogenic
NC(=S)N/N=C1\C[C@@H](n2nc(-n3nc(-c4ccccc4)cc3-c3ccccc3)n(N)c2=S)[C@@H]2CO[C@H]1O2	100151849	PVVAXQAEUKPXFZ-SESRZCFFSA-N	533.643	2.523	30	40	KFEB	
COc1ccccc1N/N=C1/C=C/C(=N/C(=O)COC(=O)[C@H](C)NS(=O)(=O)c2ccccc2F)C=C1C	255961520	MGJHCQNLYNJDTP-XIDHNITRSA-N	528.562	2.996	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1cc(Br)c(OCC(=O)O)c(OCC)c1	408957105	SETZZCQTOYBGMF-NQVRMTPQSA-N	665.494	2.832	30	40	KFEB	
COCCN1C(=O)C(O)=C(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)[C@H]1c1cccc(O)c1	27988100	MIFUSTLZFUICFA-JOCHJYFZSA-N	500.573	2.792	30	40	KFEB	
N#C/C(C(=O)N1CCCC1)=c1\s/c(=C/c2ccc(Sc3ncccn3)c([N+](=O)[O-])c2)c(=O)n1-c1ccccc1	97981739	BDXRAGOCRVQYML-JKKXZILISA-N	556.629	2.874	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1cc(Br)c(O)c([N+](=O)[O-])c1	408943411	FQJTYKLINISDNP-IXOKJCISSA-N	608.402	2.583	30	40	KFEB	
CN1C(=O)[C@]2(/C(=C(\O)c3cc4ccccc4o3)C(=O)C(=O)N2CCCN2CCOCC2)c2ccccc21	1868888	ZTKXKIQDGOIIGT-LYJWTBIJSA-N	501.539	2.707	30	40	KFEB	
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCN2CCOCC2)cc1	15837205	GEDKEPRDBXBTQE-BXKMTCNYSA-N	506.555	2.707	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1ccc(OC)c(I)c1	408957625	UAXNVGINIXDANS-NSCYZXDASA-N	624.432	2.820	30	40	KFEB	
COc1ccc([C@@H]2C3=C(C[C@@H](C)[C@]4(Oc5c(Cl)c(OC)cc(OC)c5C4=O)C3=O)Nc3c2c(=O)n(C)c(=O)n3C)cc1O	524731234	PBLKVKXJKCXUNS-XCRXPNQSSA-N	610.019	2.903	30	40	KFEB	biogenic
CCOc1ccc(NS(=O)(=O)c2ccc(Cl)c(NN=C3C(=O)NC(=S)NC3=O)c2)cc1Br	72141287	YQZRXEPQAYAWMK-UHFFFAOYSA-N	560.839	2.601	30	40	KFEB	
CC(C)(O)/C=C/C(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@H]3CC=C4[C@@H](C[C@H](O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C	255267977	SRPHMISUTWFFKJ-VQSQTPSISA-N	516.675	2.929	30	40	KFEB	in-vitro
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1cc(Cl)c(OCC#N)c(OC)c1	408958723	WMYVUWFGLAQWLE-IFFKDRNLSA-N	588.017	2.771	30	40	KFEB	
COc1ccc(-c2cc(-c3ccco3)c(C#N)c(=O)n2[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]2OC(C)=O)cc1	5808689	VMGHZVDHKNGKKJ-JTODZQAJSA-N	622.583	2.911	30	40	KFEB	
Cn1ccnc1Sc1ccc(/C=N/Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCC(C(N)=O)CC2)cc1[N+](=O)[O-]	100269142	XVQJXHKQMFMKIG-VULFUBBASA-N	588.628	2.720	30	40	KFEB	
Cc1ccc(S(=O)(=O)OC([C@H]2OCOC[C@H]2OS(=O)(=O)c2ccc(C)cc2)[C@H]2OCOC[C@H]2OS(=O)(=O)c2ccc(C)cc2)cc1	150364081	WUKQZTARHPBQAQ-GKQHHHCTSA-N	698.790	2.980	30	40	KFEB	
Oc1ccc(Cc2ccccc2Cl)cc1/C=N/Nc1nc(N2CCOCC2)nc(N2CCOCC2)n1	408977778	YDOXIHWOULFDQJ-WPWMEQJKSA-N	509.998	2.941	30	40	KFEB	
COc1ccc(OC)c(NC(=O)CCC/C(CC(=O)c2ccc(O)c(OC)c2)=N/Nc2nnc(C)n2N)c1	17194857	IUICYQSRFRJRIK-RHANQZHGSA-N	525.566	2.882	30	40	KFEB	
C#CCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)cc2)sc2cc(OC)c(OC)cc21	60266460	FHYDNGRBLLVAHO-PZLTZHMVSA-N	529.640	2.892	30	40	KFEB	
CCOC(=O)COc1cc(Br)c(/C=N/N[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OC	408940893	CMNCMJKAGITLMV-MSEONMHHSA-N	679.521	2.920	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1ccc(OCC(=O)OC)c(Br)c1	408958907	XHONYGBCXSAEOZ-CAPGBIOCSA-N	635.468	2.521	30	40	KFEB	
COc1cc([C@H]2C3=C(C[C@@H](C)[C@]4(Oc5c(Cl)c(OC)cc(OC)c5C4=O)C3=O)Nc3c2c(=O)n(C)c(=O)n3C)ccc1OCC(=O)O	604404865	HKOVRDPKRBNJOV-CHWHWVKLSA-N	668.055	2.661	30	40	KFEB	biogenic
COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCN2CCOCC2)cc1OC	15952858	DHSQVGWIUXECKE-NSYGIPOTSA-N	508.571	2.938	30	40	KFEB	
COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2C[C@@H]2CCCO2)c(OC)c2c1OCO2	85412809	JBCKALSKSCWBLU-XOBRGWDASA-N	511.483	2.919	30	40	KFEB	
COc1ccc([C@H]2/C(=C(\O)c3sc(C)nc3C)C(=O)C(=O)N2CCCN2CCOCC2)cc1OC	102539587	XRGABPIROGJINW-MRJHHRETSA-N	501.605	2.921	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1ccc(O)c(Br)c1	408949390	LLGPXQAJBQTXOB-SJLPXIOISA-N	563.405	2.675	30	40	KFEB	
CCOC(=O)[C@@H](C)Oc1c(Br)cc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1[N+](=O)[O-]	409404639	FATMCSQYDVIFPV-ZMPPFODHSA-N	506.309	2.829	30	40	KFEB	
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NCc1cccc2c1OCO2	118918987	BLVQLEYJEAAYBR-YDRJFCTNSA-N	593.673	2.934	30	40	KFEB	
C=CC/N=C/[C@]12CC[C@@H](O[C@H]3C[C@@H](O)[C@@H](O)[C@H](C)O3)C[C@@]1(O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@@]12O	118921196	OCOPISHUWCHCIR-NFBPFNCMSA-N	573.727	2.837	30	40	KFEB	
C#CCOc1c(/C=c2/sc3n(c2=O)[C@H](c2ccc(OCC(=O)OC)c(OCC)c2)C(C(=O)OCC)=C(C)N=3)cccc1OC	409029628	BYYWVTHNLQBIIY-GKKFRVOYSA-N	620.680	2.769	30	40	KFEB	
COc1cc(OC)c2c(c1Cl)O[C@@]1(C(=O)/C(=C/NCC(=O)N3CCc4ccccc4C3)C(=O)C[C@H]1C)C2=O	1547139560	SZSYTALVHYBFAD-CEHGMTJHSA-N	538.984	2.908	30	40	KFEB	
C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC(C)=O)cc1	1896090	ITVVMTAZXZRDQR-RISWYLRJSA-N	562.600	2.824	30	40	KFEB	
C=CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OC(C)=O)c(=O)n2[C@H]1c1ccc(OC)cc1	13766064	ZPORIFUHMZNOJB-NLZIUFDSSA-N	504.564	2.898	30	40	KFEB	
C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4ccc(N5CCOCC5)o4)c(=O)n32)cc1	408850849	SFFWTJNGCUGKPT-BDPRQDHOSA-N	535.622	2.793	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1cc(I)c(OCC(=O)OC)c(OCC)c1	408955997	RCAJATMQMOYOEO-CPVPUQAFSA-N	726.521	2.762	30	40	KFEB	
COc1cc(OC)c2c(c1Cl)O[C@@]1(C(=O)/C(=C\Nc3ccc(S(=O)(=O)NC(C)=O)cc3)C(=O)C[C@H]1C)C2=O	604405197	MUQAOHFMYZVSRW-YTTMKTIJSA-N	562.984	2.670	30	40	KFEB	biogenic
CCCCCCC[C@H](Oc1cc(O)c2c(=O)c(-c3ccc(O[C@H]4O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]4O)cc3)coc2c1)C(=O)OC	104823943	MPYCQJDTFYUOKP-DMWNITKNSA-N	602.633	2.625	30	40	KFEB	
CCOc1ccc(/C=N/N[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OC	408958113	VFYZTGIBGNJXDF-JEDKUOLWSA-N	542.589	2.614	30	40	KFEB	
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@]23C(=O)N(C)c2ccccc23)cc1	24147842	FXUWXUBZCOTCKV-GDLZYMKVSA-N	517.582	2.683	30	40	KFEB	
CCOC(=O)c1c(-c2ccc(OC)cc2)c(C#N)c(=S)n([C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c1-c1ccccc1	5956373	XRJYQXMYBFBTJQ-PEQSZRCQSA-N	552.605	2.581	30	40	KFEB	
CCCN1C(=O)[C@]2(C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCN2CCOCC2)c2ccccc21	24193191	YDCJSVYLQWEIGX-HZAQMHFWSA-N	531.609	2.831	30	40	KFEB	
O=C(C[C@@H]1S/C(=N\c2ccc(S(=O)(=O)N3CCOCC3)cc2)N(C[C@H]2CCCO2)C1=O)Nc1ccccc1	97982128	XAZJTXALIDBVNA-RBWSBELBSA-N	558.682	2.847	30	40	KFEB	
COc1cc([C@@H]2C3=C(c4ccccc4C3=O)N(C(C)=O)c3c2c(=O)n(C)c(=O)n3C)cc(Br)c1OC(C)=O	100415658	RIOJQLFZKADBAK-LJQANCHMSA-N	580.391	2.886	30	40	KFEB	
C=C1[C@H]([C@]2(C)C=CC(=O)O[C@]3(C)COC(=O)C[C@@H]32)[C@H](OC=O)[C@H](OC(=O)[C@H](O)[C@H](C)CC)[C@]2(C)[C@H](c3ccoc3)C[C@@H](OC(C)=O)[C@]12O	254194561	ZZPUDABJUQWRTM-PTYDQVCYSA-N	672.724	2.924	30	40	KFEB	
C=CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)N(CC=C)c4ccccc43)c(=O)n2[C@H]1c1ccc(OC)cc1	2287483	SKMUXEGYEHQXNX-MYXKAAJQSA-N	527.602	2.876	30	40	KFEB	
Cn1c(=O)[nH]c(=O)c2c1nc(N/N=C/C=C/c1ccccc1)n2C[C@H](O)COc1ccc(Br)cc1	2311321	LGINKHGRIPQZAX-KHPRSMCUSA-N	539.390	2.737	30	40	KFEB	
CO[C@@]1(C)O[C@@H](COS(=O)(=O)c2ccc(C)cc2)[C@H](COS(=O)(=O)c2ccc(C)cc2)O[C@@]1(C)OC	97952928	CIZLVXBAALAMNQ-NEWJYFPISA-N	544.644	2.923	30	40	KFEB	
C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N[C@H](C(=O)O)[C@H](O)c1ccccc1	118919099	ATBUFJDZMRCVPQ-POAPTXNKSA-N	623.699	2.624	30	40	KFEB	
CC[C@H](C)[C@H](NC(=O)[C@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@@]21C)C(C)C)C(=O)O	217344152	SVMLVPRFQSDMBZ-YKELOHKRSA-N	674.832	2.869	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C\c1cn(C)c2ccccc12	408951865	NMVIMOYIZKVVPR-IVYSKLEZSA-N	521.574	2.699	30	40	KFEB	
COC(=O)c1ccc([C@@H]2C(C(=O)c3cnn(-c4ccccc4)c3C)=C(O)C(=O)N2CCN2CCOCC2)cc1	1451563	YMYFWAIWFKCQGJ-RUZDIDTESA-N	530.581	2.878	30	40	KFEB	
CCOCn1cc(F)c(=O)n(C(=O)c2cccc(C(=O)Oc3nc(OC(=O)c4ccccc4)ccc3C#N)c2)c1=O	1532934	WTSKMKRYHATLLL-UHFFFAOYSA-N	558.478	2.537	30	40	KFEB	investigational
Cc1c(/C(O)=C2\C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccc([N+](=O)[O-])c2)cnn1-c1ccccc1	102931251	YNFLYEVMEIAIMI-NXLSWJSLSA-N	517.542	2.843	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C\c1cccc(OC(C)C)c1	408937885	ACXUCHWCFHZHQR-PLZYNDFDSA-N	526.590	2.994	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1	408950601	MJCFGJSJEOBLAU-SKALTOFESA-N	547.952	2.769	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1cc(Cl)c(O)c(OCC)c1	408955505	QNVZPFBMEHEVSN-PCGMTTANSA-N	563.007	2.965	30	40	KFEB	
O=C(Oc1ccc(/C=N\Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1)c1cccc(Br)c1	106525142	MZESITZWPWVNPQ-PKAZHMFMSA-N	568.432	2.973	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1ccc(Cl)cc1	408950555	MHVQXVCORNGPLS-GKIICUKPSA-N	502.955	2.861	30	40	KFEB	
C=C(CC[C@H](O)[C@]1(C)CC[C@H](C(C)(C)O[C@@H]2O[C@H](COC)[C@H](O)[C@H](O)[C@@H]2NC(C)=O)O1)[C@@H]1CC[C@H]2[C@@]1(C)CC[C@H]1O[C@@H](C(C)(C)O[C@@H]3O[C@H](COC)[C@H](O)[C@H](O)[C@@H]3NC(C)=O)CC[C@@]21C	1772591099	GCZBXFCUKBFLTN-DQNNLNFUSA-N	927.183	2.788	30	40	KFEB	
C=CCN1C(=O)[C@]2(C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCN2CCOCC2)c2ccccc21	98047163	XQNCETRQFQQIMP-PKHCJMHPSA-N	543.620	2.997	30	40	KFEB	
C=CCNC(=O)c1cc(C(=O)N[C@@H](Cc2ccccc2)C(=O)OC)ccc1C(=O)N[C@@H](Cc1ccccc1)C(=O)OC	102845400	PMCAWTVKTZRQRR-SVBPBHIXSA-N	571.630	2.631	30	40	KFEB	
CCOC(=O)COc1c(Cl)cc(/C=N/N[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OC	408958296	VLUNQVFALXWPKA-HKTILGSXSA-N	635.070	2.811	30	40	KFEB	
COc1cc(OC)c2c(c1Cl)O[C@@]1(C(=O)C3=C(C[C@H]1C)Nc1c(c(=O)n(C)c(=O)n1C)[C@@H]3c1cc(OC)c3c(c1)OCCO3)C2=O	524730186	YSUUMJBHUKPFMC-VOZGCOFFSA-N	652.056	2.969	30	40	KFEB	biogenic
C=CCN1C(=O)/C(=c2\sc3n(c2=O)[C@H](c2ccc(F)cc2)C(C(=O)OCC)=C(C)N=3)c2ccccc21	2341897	FGYRLBJUZJNBEN-RKKARLDVSA-N	503.555	2.840	30	40	KFEB	
O=C(Nc1ccc(S(=O)(=O)/N=C2\CCCCCN2)cc1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1	2638663	XHNGQHFWEBVPPZ-QGZVFWFLSA-N	512.588	2.700	30	40	KFEB	
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@]23C(=O)N(C)c2ccccc23)cc1C	24192927	FSNHYYBOFFEZQG-GDLZYMKVSA-N	517.582	2.601	30	40	KFEB	
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@]2(O)C(=O)COC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2	118926701	GQCRLEVUEASHLP-UHFKQKRJSA-N	526.626	2.855	30	40	KFEB	
C/C=C(\C)C(=O)O[C@@H]1[C@H](C)[C@]2(O)[C@H](C=C(CO)C[C@]3(O)C(=O)C(C)=C[C@@H]32)[C@@H]2C(C)(C)[C@]12OC(=O)C(C)C	252505773	MVWXLRYZCZSBKW-LUAIULODSA-N	516.631	2.654	30	40	KFEB	biogenic,in-vitro
CO[C@@H]1[C@H](O)[C@H](C)O[C@H](O[C@H]2CC[C@@]3(C=O)[C@@H](CC[C@@H]4[C@H]3CC[C@]3(C)[C@@H](c5ccc(=O)oc5)CC[C@]43O)C2)[C@@H]1O	253498726	NYOVJCZRJINYSI-ILAYLRQMSA-N	560.684	2.927	30	40	KFEB	biogenic
C#CCOc1c(/C=N\N[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc(I)cc1OC	408952030	NTHRIWQVGULYNG-QERSVGBZSA-N	678.480	2.832	30	40	KFEB	
CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@H](C)C[C@@H](C)C(=O)/C=C/[C@]1(C)O	8214478	UZQBOFAUUTZOQE-VSLWXVDYSA-N	525.683	2.513	30	40	KFEB	in-vitro
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C\c1cc(I)c(OC(C)=O)c(OC)c1	408939243	BAPUSOMTKMWKTC-QOZUPEJLSA-N	682.468	2.746	30	40	KFEB	
CC(=O)OC[C@@H]1O[C@H](n2c(C)cc(-c3ccco3)c(C#N)c2=S)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	5955309	GFBCPZRUOVRRAL-JTKSJCOOSA-N	546.554	2.913	30	40	KFEB	
COc1cccc([C@@H]2C(C(=O)c3c(C)nc4c(C)cccn34)=C(O)C(=O)N2CCN2CCOCC2)c1OC	8817120	TVWQGHSSMKBKPX-HSZRJFAPSA-N	520.586	2.879	30	40	KFEB	
COc1cc(/C=N/Nc2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccc(C)cc2)cc(Br)c1O	9312336	HMYGFNPENKFDFE-YSURURNPSA-N	513.352	2.703	30	40	KFEB	
COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCN2CCOCC2)cc1OC	20219302	ZAFQWJIVFNDCME-VWLOTQADSA-N	524.570	2.776	30	40	KFEB	
O=C(Cc1ccc(/N=C2\N[C@@H]3CS(=O)(=O)C[C@H]3S2)cc1)NCCOc1cccc(C(F)(F)F)c1	20618108	PWKULTYCPIYFAM-RTBURBONSA-N	513.563	2.933	30	40	KFEB	
COc1ccc(-n2c(=O)/c(=C\c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)s/c2=C(/C#N)C(=O)C(C)(C)C)cc1	97981793	UZWIQZJIICKRQL-DDGIHHEDSA-N	548.621	2.771	30	40	KFEB	
COc1cc([C@H]2/C(=C(\O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCCN(C)C)cc(OC)c1OC	102697863	HLLVGAPJVRWWMQ-AYWGPLOBSA-N	512.559	2.857	30	40	KFEB	
COc1ccc([N+](=O)[O-])cc1N=C[C@H]1C(=O)NC(=O)N(c2ccc(I)cc2)C1=O	408531603	HCACOEODDFGOGX-ZDUSSCGKSA-N	508.228	2.810	30	40	KFEB	
COc1cc(C(=O)O[C@@H](C(=O)O)[C@@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)Nc2ccc(C#N)cc2)ccc1OC(C)=O	409385841	KIJNFQGQLGPFHK-KAYWLYCHSA-N	634.550	2.900	30	40	KFEB	
COC1=C2C[C@H](C)C[C@H](OC)[C@H](O)[C@H](C)C=C(C)[C@H](OC(=N)O)[C@H](OC)C=CC=C(C)C(=O)NC(=C(O)C1=O)C2=O	958322914	JBGGGJXLNZQZKM-HHZHFWGMSA-N	576.643	2.708	30	40	KFEB	biogenic,in-vitro
CCOC(=O)COc1ccc(Br)cc1/C=N\N[C@@H](O)COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OCC	408959133	YLBHVGBQOWYFQR-YVDXJWROSA-N	649.495	2.912	30	40	KFEB	
C/C=C/C=C/C=C/C1=CC2=C(Cl)C(=O)[C@](C)(OC(=O)C[C@H](O)C[C@H](C)O)C(=O)C2=CN1[C@H](C)C(=O)O	1772591222	MBUFZXOVAKJHCX-JIPKCDRISA-N	519.978	2.700	30	40	KFEB	
C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)cc1	1896084	ITVVMTAZXZRDQR-LMSRTUJASA-N	562.600	2.824	30	40	KFEB	
CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@]23C(=O)N(CC)c2ccccc23)cc1	24147546	VJKZXLZJUWZZMJ-LJAQVGFWSA-N	519.598	2.907	30	40	KFEB	
O=C(C[C@H]1S/C(=N\c2ccc(S(=O)(=O)N3CCOCC3)cc2)N(C[C@@H]2CCCO2)C1=O)Nc1ccccc1	97982125	XAZJTXALIDBVNA-NSQQNNOTSA-N	558.682	2.847	30	40	KFEB	
COC(=O)Cn1/c(=N/C(=O)c2ccc(S(=O)(=O)N(CCC#N)CCC#N)cc2)sc2cc(C)ccc21	100876035	ZPJZDHZXBLQNEJ-PNHLSOANSA-N	525.612	2.743	30	40	KFEB	
COc1cc(/C=N/Nc2nc(N3CCCCC3)nc(N3CCOCC3)n2)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-]	100954187	UAPYPZSOEHZQHM-OVVQPSECSA-N	598.642	2.829	30	40	KFEB	
C#C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N\OCC(=O)N[C@@H](C(=O)N5C[C@H](O)C[C@@H]5C(=O)O)C(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C	118918994	CISVREYUELBLRR-ZOHPDCPISA-N	597.753	2.873	30	40	KFEB	
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=C/C(=N/OCC(=O)NCCc5ccc(O)cc5)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO	70692266	RJEHFICEWKFKNX-OMVQXSNNSA-N	554.684	2.650	30	40	KFEB	
COc1ccc(N2/C(=N\C(=O)Cc3ccc(OC)c(OC)c3)S[C@H]3CS(=O)(=O)C[C@H]32)c(OC)c1	101312790	QRIAUSZYOSFMHH-LQYVUYEFSA-N	506.602	2.565	30	40	KFEB	
COc1ccc(C(=O)N2C[C@@H]3C[C@H](C2)c2ccc(NS(=O)(=O)c4ccccc4C#N)c(=O)n2C3)cc1	3841447	ITYDXOCAKCKCNK-FXAWDEMLSA-N	504.568	2.789	30	40	KFEB	biogenic,in-vitro
CCOC(=O)c1[nH]c(C)c(/C(O)=C2\C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccccc2OC)c1C	102881661	REUBWDBSDUTUJR-UVDRRRQGSA-N	525.602	2.961	30	40	KFEB	
COc1cc(/C=N/Nc2nc(N3CCCC3)nc(N3CCOCC3)n2)ccc1OC(=O)c1ccccc1	408724002	BZCVTNAUTJNYRZ-OVVQPSECSA-N	503.563	2.982	30	40	KFEB	
Cn1c(=O)[nH]c(=O)c2c1nc(N/N=C/c1ccc(Br)cc1)n2C[C@H](O)COc1ccc(Br)cc1	97958789	VKIXPDKUHBGWMK-HWYIRHLISA-N	592.248	2.834	30	40	KFEB	
C=CCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)sc2cc(S(N)(=O)=O)ccc21	100874790	UVRZOKIXKFQLOA-IEQXMEILSA-N	534.685	2.698	30	40	KFEB	
CCC[C@H]1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@@]2(C(=O)COS(C)(=O)=O)O1	230209401	UNRWYSJKJKUNPJ-UWJPKQCSSA-N	508.633	2.701	30	40	KFEB	
C#CCOc1c(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OCC)c(OCC)c2)C(C(=O)OC)=CN=3)cccc1OC	408938412	HSVGTLYOBUDRPH-WWNGRIQCSA-N	548.617	2.836	30	40	KFEB	
C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3OC)c(=O)n2[C@@H]1c1ccc(OC)cc1	2279912	GXEGFCDDLBVSOD-FQWPPLDYSA-N	506.580	2.990	30	40	KFEB	
C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N[C@@H](C(=O)O)[C@@H](O)c1cccc([N+](=O)[O-])c1	150344807	LOYTWJIBXQKVSE-VJYKFDJHSA-N	668.696	2.532	30	40	KFEB	
C#CCOc1cccc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OCC)c(OCC)c2)C(C(=O)OC)=CN=3)c1	408952767	VTLDEORXWWEEMI-VVIXHQMUSA-N	518.591	2.828	30	40	KFEB	
COCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(C)c2N2CCN(Cc3ccccc3)CC2)SC1=S	9462955	QRAZSIALXUWFCB-JCMHNJIXSA-N	523.684	2.735	30	40	KFEB	
C/C=C(\C)C(=O)O[C@@H]1[C@H](C)[C@]2(O)[C@H](C=C(CO)C[C@]3(O)C(=O)C(C)=C[C@@H]32)[C@H]2C(C)(C)[C@@]21OC(=O)C(C)C	252505771	MVWXLRYZCZSBKW-GEKFHBNPSA-N	516.631	2.654	30	40	KFEB	biogenic,in-vitro
CCN(CC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N/N=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	8809775	AFTIUFQSSGXXIJ-PXLXIMEGSA-N	506.541	2.816	30	40	KFEB	
C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)Nc3ccc(S(=O)(=O)/N=C4\CCCCCN4)cc3)c2)C[C@@H](C)O1	38152349	UKKNJOWJLXUIOS-RTBURBONSA-N	548.687	2.988	30	40	KFEB	
CN(C)S(=O)(=O)c1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccc(Br)c2)cc1	97969564	BGRQRLGSYJNRSS-JOCHJYFZSA-N	578.485	2.610	30	40	KFEB	
CCOC(=O)Cn1cc(/C=N\N[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)c2ccccc21	408939341	BERIPWOIIPVTOZ-AREFCUKFSA-N	593.637	2.725	30	40	KFEB	
Cc1ccc(N=c2nc(N/N=C/c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3O)[nH]c(N3CCOCC3)n2)c(Br)c1	408721671	WVICJZQUMSBDNQ-FOKLQQMPSA-N	574.352	2.913	30	40	KFEB	
C#CCOc1ccc(/C=N/N[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1I	408951856	NMIRHTKWOUBOJA-SIJOXOPISA-N	648.454	2.824	30	40	KFEB	
COc1ccc(/C=N/N2C(=O)[C@H](CC(=O)O)S/C2=N\c2c(C)n(C)n(-c3ccccc3)c2=O)cc1OC	2201938	VOKSDLZQHMXILB-LTAVEDNYSA-N	523.571	2.942	30	40	KFEB	
CC(=O)OC[C@@H]1O[C@H](OC2=C(CC=C(C)C)C(=O)c3ccccc3C2=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	5430624	FMNSNVSJQBSOAM-DQPHOHOGSA-N	572.563	2.776	30	40	KFEB	
CCCCCCC[C@@H](CC(=O)O[C@H](CCCCCCC)CC(=O)O)O[C@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]1O[C@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]1O	73417906	FCBUKWWQSZQDDI-VAGBJPSBSA-N	650.803	2.549	30	40	KFEB	
COc1ccc([N+](=O)[O-])cc1N=C[C@@H]1C(=O)NC(=O)N(c2ccc(I)cc2)C1=O	408531588	HCACOEODDFGOGX-CYBMUJFWSA-N	508.228	2.810	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1cc(Br)c(OCC(=O)OC)c(OC)c1	408957919	UORKIPDKDYTDOF-QNNRQLQASA-N	665.494	2.530	30	40	KFEB	
Cn1c(=O)[nH]c(=O)c2c1nc(N/N=C/C=C\c1ccccc1)n2C[C@H](O)COc1ccc(Br)cc1	100678289	LGINKHGRIPQZAX-YJJVRCFVSA-N	539.390	2.737	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1ccc(N(CC)CC)cc1O	408939732	BNKVHRSIEACXCQ-MLPXVHMNSA-N	555.632	2.759	30	40	KFEB	
C=CCOc1ccc(/C=N/N[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1	408946102	IFCIILXLZHPXLN-ASZYGDGUSA-N	524.574	2.772	30	40	KFEB	
C=CCn1c(SCC(=O)Nc2nc(C)c(C)s2)nnc1[C@H](CO)NC(=O)c1ccc(OC)cc1	72191980	OPRAKYPUJYFBHH-KRWDZBQOSA-N	502.622	2.740	30	40	KFEB	
COCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@@H]1c1cccc(Cl)c1	102890491	IDWCQAWEANFPEX-MOBKVPTQSA-N	535.018	2.819	30	40	KFEB	
CC(C)C[C@@H](NC(=O)[C@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@@]21C)C(C)C)C(=O)O	217346871	NHWZGIMDIXDYFH-PISMREFCSA-N	674.832	2.869	30	40	KFEB	
CCOC(=O)[C@H](C)Oc1c(C=Nn2c(O)nc3ccccc3c2=O)cc(Br)cc1[N+](=O)[O-]	409351489	WRLJSZCXNYJRJK-NSHDSACASA-N	505.281	2.985	30	40	KFEB	
Cc1nc2c(C)cccn2c1C(=O)C1=C(O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccc([N+](=O)[O-])cc1	8826995	WBENYFHYTJCRJW-QFIPXVFZSA-N	505.531	2.770	30	40	KFEB	
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@@]2(O)C(=O)COC(=O)CCC(=O)NCc1ccco1	118920341	KUOIOLIROJEQAC-UMRKIHEESA-N	539.625	2.798	30	40	KFEB	
COc1cc(/C=N/n2c(N)c(C(=O)NC[C@@H]3CCCO3)c3nc4ccccc4nc32)cc(OC)c1OC	8836232	BXNNHMHEINCEQG-GAKHTCNASA-N	504.547	2.984	30	40	KFEB	
C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN2CCOCC2)c1	20332556	WIMFWUDUIKUWKF-VWLOTQADSA-N	506.555	2.933	30	40	KFEB	
Cc1ccc(S(=O)(=O)OC[C@H]2O[C@@H](COC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@@H]2O)cc1	101132334	BVDWOAPOABTRBJ-ZFFYZDHPSA-N	526.563	2.911	30	40	KFEB	
COc1ccc([C@H]2/C(=C(\O)c3cnn(-c4ccccc4)c3C)C(=O)C(=O)N2CCN2CCOCC2)cc1	102542688	RDLBYTGVDFDLLE-IUKMQXEJSA-N	502.571	2.943	30	40	KFEB	
C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NCCCn1ccnc1	118920419	RYQGATQKZXBYNI-UWTRAULOSA-N	569.699	2.516	30	40	KFEB	
C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC(C)=O)cc1	1771027	BKUJWFUQYHTOQE-GJFKPFFXSA-N	534.590	2.907	30	40	KFEB	
C/C(Cl)=C/Cn1c(N/N=C2/C(=O)N(Cc3ccccc3)c3ccccc32)nc2c1c(=O)[nH]c(=O)n2C	9019929	NNIAHRNRAYACFC-VYAYFANOSA-N	503.950	2.929	30	40	KFEB	
C=CCN1C(=O)[C@@]2(C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2CCCN2CCOCC2)c2ccccc21	24147675	NVSXMUGHHNXCLH-LJAQVGFWSA-N	517.582	2.683	30	40	KFEB	
CSc1ccc([C@@H]2C(C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)=C(O)C(=O)N2CCCN2CCOCC2)cc1	98047190	XHOMTCQMCLWGAE-XMMPIXPASA-N	559.710	2.959	30	40	KFEB	
COCCN1C(=O)C(=O)/C(=C(/O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)[C@H]1c1ccc(O)c(OC)c1	102552926	KBEBQWKYUJQNGD-ZHHPLPSFSA-N	530.599	2.644	30	40	KFEB	
C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=C/C(=N/OCC(=O)N[C@H](Cc5c[nH]c6ccccc56)C(=O)O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO	118919012	KLXRCIONDXDWCO-QYVLMOFQSA-N	621.731	2.879	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1cc(I)c(OCC#N)c(OC)c1	408939820	BREPRLZAURBNDD-ADODYWCFSA-N	679.468	2.723	30	40	KFEB	
C#CCOc1c(Cl)cc(/C=N/N[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OC	408957502	TWBKJOOYTGBBDU-BWABIVLKSA-N	587.029	2.881	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1cc(Br)c(OCC(=O)OC)c(OC)c1	408957918	UORKIPDKDYTDOF-NQVRMTPQSA-N	665.494	2.530	30	40	KFEB	
C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3OC)c(=O)n2[C@H]1c1ccc(OC(C)=O)cc1	1794626	COYJLIKTQABEEY-FCKOQQNDSA-N	534.590	2.907	30	40	KFEB	
N/N=C(/Cc1nc2ccc(C(=O)c3ccccc3)cc2nc1O)C(=O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	8659614	AXOIWUIQJOTEHX-BRPDVVIDSA-N	515.442	2.879	30	40	KFEB	
CC/C=C\[C@H](OC(C)=O)[C@H](OC(C)=O)C1=C(C)C(=O)[C@]2(O1)C(O)=N[C@@](OC)(C(=O)c1ccccc1)[C@@H]2OC(C)=O	44416776	AFWXQNFPAMXIOP-YLEXTUNJSA-N	557.552	2.556	30	40	KFEB	biogenic
CCCN1C(=O)[C@@]2(C(C(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)=C(O)C(=O)N2CCCN(C)C)c2ccccc21	98046921	SCCQWSCBPVPVLS-PMERELPUSA-N	580.707	2.912	30	40	KFEB	
COCCN1C(=O)C(=O)/C(=C(/O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)[C@@H]1c1ccc(O)cc1	102892856	NOQAKHCTENFNGH-MOBKVPTQSA-N	500.573	2.635	30	40	KFEB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCC#N)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1	408919526	AQARAGDHPUJDQH-IGSWSUAKSA-N	519.579	2.718	30	40	KFEB	
CC(=O)OC[C@@H]1O[C@@H](n2c(-c3ccccc3)cc(-c3ccco3)c(C#N)c2=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	5808677	XURBLYBQYWNXSZ-IMXDQWJESA-N	592.557	2.903	30	40	KFEB	
COc1cc([C@H]2C3=C(Nc4[nH]c(=O)[nH]c(=O)c42)c2ccccc2C3=O)cc(Br)c1OC(C)=O	18201149	JFNIGEPJRJEDKV-HNNXBMFYSA-N	510.300	2.925	30	40	KFEB	
COc1cc([C@H](CC(=O)N[C@@H]2CONC2=O)C2=C(O)[C@@]3(Oc4c(Cl)c(OC)cc(OC)c4C3=O)[C@H](C)CC2=O)ccc1O	1547138528	MSAYYYCALAZFDN-SAQCHJSISA-N	617.007	2.526	30	40	KFEB	biogenic
COc1ccc([C@@H]2/C(=C(\O)c3sc(C)nc3C)C(=O)C(=O)N2CCCN2CCOCC2)cc1OC	102539596	XRGABPIROGJINW-JBCNATCCSA-N	501.605	2.921	30	40	KFEB	
CC(=O)O[C@@H]1C[C@@]23C[C@@]24CC[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)[C@@H]4CC=C3[C@]2(C)C[C@@H]3O[C@]4(C[C@@H](C)[C@@H]3[C@@]12C)O[C@H](O)[C@@]1(C)O[C@H]14	253617822	XUJMHSCMPCZWOV-DMMGXQSLSA-N	674.828	2.949	30	40	KFEB	biogenic,in-vitro
C#CCOc1c(Br)cc(/C=N\N[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1[N+](=O)[O-]	408958301	VMUWRIMGOKQJKM-ALUZHPLXSA-N	646.451	2.890	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1cc(I)c(OC)c([N+](=O)[O-])c1	408959470	ZUULQXUWZQLPNU-MKMNMNSVSA-N	669.429	2.729	30	40	KFEB	
C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)cc3OC)c(=O)n2[C@H]1c1ccc(OC)cc1	2704399	SMCBZZZYGTYRNA-YMSBRDKKSA-N	506.580	2.990	30	40	KFEB	
C#CCOc1c(/C=c2/sc3n(c2=O)[C@@H](c2cccc(OC)c2OCC)C(C(=O)OCCOC)=C(C)N=3)cc([N+](=O)[O-])cc1OC	408970451	ICAMKDYOZINTHT-MKWGYRPRSA-N	637.667	2.761	30	40	KFEB	
NN=C1c2cc(S(=O)(=O)NCc3ccco3)ccc2-c2ccc(S(=O)(=O)NCc3ccco3)cc21	8870961	IMIQHQKSFDXVSS-UHFFFAOYSA-N	512.569	2.521	30	40	KFEB	
C=CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)N(CC)c4ccccc43)c(=O)n2[C@H]1c1ccc(OC)cc1	13766297	LDRGYSZLLRWHNZ-FEYWKWKCSA-N	515.591	2.710	30	40	KFEB	
C#CCOc1ccc(Cl)cc1/C=N\N[C@H](O)COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OCC	408944867	GYOPFINHVDXCCC-FSQDEPJESA-N	557.003	2.873	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1cc(OC)c(O)cc1Br	408954380	PLMLXUBEBBMORF-OBFIOROISA-N	593.431	2.684	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1cc([N+](=O)[O-])ccc1Cl	408958058	UWRRYOPNSNHRRL-SKALTOFESA-N	547.952	2.769	30	40	KFEB	
COC(=O)C(=O)/C(=C\N=C(/S)NCCc1ccc(OC)c(OC)c1)C(=O)c1ccc([N+](=O)[O-])cc1	17223230	NSJUSQJBBLHWTD-LGMDPLHJSA-N	501.517	2.539	30	40	KFEB	
C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=C/C(=N\OCC(=O)NC[C@H](CC(=O)O)c5ccccc5)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO	118928215	SUEVDGAUQVQWFG-ASEMMALRSA-N	596.721	2.960	30	40	KFEB	
O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C(=O)N1/N=C/c1cc(I)c(O)c(I)c1	409035119	PGJDCZNQKCKXIM-KSWSXSBNSA-N	560.129	2.988	30	40	KFEB	
COc1ccc(S(=O)(=O)N2C[C@@H]3C[C@H](C2)c2ccc(NC(=O)c4ccc(C#N)cc4)c(=O)n2C3)cc1	5413657	XRNPNXSYPCALSW-AZUAARDMSA-N	504.568	2.789	30	40	KFEB	biogenic,in-vitro
COC(=O)COc1c(I)cc(/C=N/NCc2ccc(OC)c(OC)c2)cc1OC	20196471	BFERQRBJHUJFJH-FOKLQQMPSA-N	514.316	2.993	30	40	KFEB	
CCOC(=O)c1[nH]c(C)c(/C(O)=C2\C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(OC)cc2)c1C	102881840	ZGSTXVHECDQKOQ-ZZIWUOEGSA-N	525.602	2.961	30	40	KFEB	
Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(OCC(N)=O)c([N+](=O)[O-])c1	409295103	DDIIPWQPGWDCHO-UHFFFAOYSA-N	539.140	2.884	30	40	KFEB	
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccc(OC)c2OC)c1C	97953966	IBPFKDNYPCKFIT-HSZRJFAPSA-N	541.601	2.736	30	40	KFEB	
CCCCCCCCC(=O)Nc1nc(O)c2ncn([C@H]3O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]3OC(C)=O)c2n1	104126077	PXUPTAOZYHRXCC-QELHCHSZSA-N	549.581	2.545	30	40	KFEB	
O=C1[C@H]2[C@H]3C=C[C@H]([C@H]2C(=O)N1/N=C/c1cc(I)cc(I)c1O)[C@@H]1C[C@@H]31	409059736	XIZVPALZHPHAJJ-LGJOLVLXSA-N	560.129	2.988	30	40	KFEB	
N#CCCN(C(=O)COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)c1ccc(F)cc1	12825130	DKPGAMATQFTLTB-UHFFFAOYSA-N	509.943	2.604	30	40	KFEB	
CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc([N+](=O)[O-])ccc1OCC(=O)N1CCOCC1	409296398	QXFUDTOLFFESGM-UHFFFAOYSA-N	544.362	2.749	30	40	KFEB	
C=CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OC)c(=O)n2[C@H]1c1ccc(OC(C)=O)cc1	12294021	DCKQMKAJDJFGDE-NLZIUFDSSA-N	504.564	2.898	30	40	KFEB	
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN2CCCC2)c(OC)c2c1OCO2	100255755	KMKCGUULZACSRQ-JOCHJYFZSA-N	538.553	2.878	30	40	KFEB	
CN/N=C(\C(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H](c1cnc2ccc([N+](=O)[O-])cc2n1)[N+](=O)[O-]	102977420	KKNHFQQLPYQEGG-YMOZLIFUSA-N	522.356	2.997	30	40	KFEB	
COC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@@]21C	118921962	LSBAJWCLHNATOA-FDTZFEIHSA-N	639.742	2.719	30	40	KFEB	
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@@]21C)C(C)C)C(=O)O	217346946	NHWZGIMDIXDYFH-GOVZBGHLSA-N	674.832	2.869	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1cc(Br)c(OCC#N)c(OC)c1	408944859	GXXDFCZXFUNHKA-SREUWLBMSA-N	632.468	2.881	30	40	KFEB	
CCOc1cc(C=Nn2c(O)nc3ccccc3c2=O)c(Br)c(Br)c1OCC(N)=O	409357111	IUTMFOTXHYYAEU-UHFFFAOYSA-N	540.168	2.772	30	40	KFEB	
CCOC(=O)[C@H]1[C@@H](c2ccc(N(C)C)cc2)[C@@H](C(=O)OCC)/C(=N/NS(=O)(=O)c2ccc(C)cc2)C[C@]1(C)O	100239194	LLYBBIGZKVTSAO-LBVBSVAXSA-N	559.685	2.992	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C\c1cc(Br)c(OC(C)=O)c(OC)c1	408948486	KKJXGTMBSNKZAY-MIODOHMVSA-N	635.468	2.904	30	40	KFEB	
COc1ccc([C@@H]2/C(=C(\O)c3cnn(-c4ccccc4)c3C)C(=O)C(=O)N2CCN2CCOCC2)cc1	102542697	RDLBYTGVDFDLLE-NPJIAGGLSA-N	502.571	2.943	30	40	KFEB	
CO[C@H]1C[C@H](O[C@@H]2CC[C@]3(C#N)[C@H]4CC[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@]5(O)[C@H]4CC[C@@]3(O)C2)O[C@H](C)[C@H]1O	257199028	PQYWNPQSYWMPGQ-MKGVBQDISA-N	545.673	2.758	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C\c1cn(CC#N)c2ccccc12	408946328	IOEATBINOGCJGU-BTPASDPISA-N	546.584	2.685	30	40	KFEB	
C#C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@H](C(=O)N[C@H](C(=O)O)[C@@H](C)O)C(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C	118919084	KADOLKXSZIQGGJ-XHEWINNQSA-N	585.742	2.777	30	40	KFEB	
O=C(c1ccc(Cl)c(/N=C2\N[C@H]3CS(=O)(=O)C[C@@H]3S2)c1)N1CCN(c2ccc(F)cc2)CC1	9529942	ZARBLTIZGFBGTG-PMACEKPBSA-N	509.028	2.931	30	40	KFEB	
CCCCCCCN1C(=O)NC(=O)/C(=C/c2ccc3c(c2)CC2(C(=O)N(C)C(=O)N(C)C2=O)[C@H]2CCCN32)C1=O	97967837	KYGFGHYQPQFOPA-JXAXNMIRSA-N	549.628	2.681	30	40	KFEB	
CC[C@H](C)[C@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)C(=O)O	118917720	GUZLDXZWVDPPFB-NHGWDTHGSA-N	573.683	2.504	30	40	KFEB	biogenic
C=CCN1C(=O)[C@@]2(/C(=C(\O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCCN(C)C)c2ccccc21	101253731	AOJGNCAVOICNLQ-PWBNPAGMSA-N	503.555	2.518	30	40	KFEB	
CCCCCCC[C@@H](Oc1cc(O)c2c(=O)c(-c3ccc(O[C@@H]4O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]4O)cc3)coc2c1)C(=O)OC	254744059	MPYCQJDTFYUOKP-POOMENRKSA-N	602.633	2.625	30	40	KFEB	
COCCCN1C(=O)C(O)=C(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@H]1c1ccc(Cl)cc1	38139764	DWMVRFYWSXRRFL-JOCHJYFZSA-N	535.018	2.976	30	40	KFEB	
C=CCn1c(=O)c2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2n(CC(=O)Nc2cccc(F)c2)c1=O	101241135	TWYOAJVGIRIKJH-UHFFFAOYSA-N	530.512	2.786	30	40	KFEB	
C#C[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=NOCC(=O)N[C@@H](CCC(N)=O)C(=O)O)CC[C@]4(C)[C@@H]3CC[C@@]21C	253533770	RKAXLDHTTPHZOB-JPSFVIISSA-N	513.635	2.521	30	40	KFEB	biogenic
CC(C)(O)/C=C/C(=O)[C@](C)(O)[C@@H]1[C@H](O)C[C@]2(C)[C@@H]3CC=C4[C@H](C[C@H](O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C	257545112	SRPHMISUTWFFKJ-BQMWLHHRSA-N	516.675	2.929	30	40	KFEB	endogenous,in-man
CN(C)CCCN1C(=O)C(=O)/C(=C(/O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@@H]1c1ccc(Cl)cc1	9008487	XJDDGKMFLNZXMP-MRJHHRETSA-N	506.024	2.964	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1ccc(O)c(I)c1	408945147	HINCNCXNOZFUCZ-ROKKHWFHSA-N	610.405	2.517	30	40	KFEB	
C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)c(OC)c3)c(=O)n2[C@@H]1c1ccccc1	2208869	IERFYHPUFOJJOG-DLBLZJNESA-N	504.564	2.898	30	40	KFEB	
CC(=O)OC[C@H]1O[C@@H](n2c3c(cc(C#N)c2=S)CCCCC3)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	5537048	HXMIHEPUGIHUHJ-LYCSZFELSA-N	534.587	2.614	30	40	KFEB	
COCCN1C(=O)C(O)=C(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@H]1c1cccc(Cl)c1	9359660	DWTQXYKJCYXZHP-OAQYLSRUSA-N	520.991	2.586	30	40	KFEB	
CCOc1ccc(/C=N/N[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1	408945318	HJDCMYDOPSSTKC-BEQIRNJDSA-N	512.563	2.606	30	40	KFEB	
Cc1cc(Br)c(N2/C(=N/C(=O)CCC(=O)O)S[C@@H]3CS(=O)(=O)C[C@H]32)c(Br)c1	101240033	SFXGQULDYWYMND-HTEIRJRZSA-N	540.255	2.986	30	40	KFEB	
C#CCn1cc(/C=N\N[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)c2ccccc21	408941946	DEJDPOGKCOOQGS-FTLAMCAWSA-N	545.596	2.795	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1ccc(N(CC)CC)o1	408950230	MEDGYTGJPKWSEI-ZUDSGTIFSA-N	529.594	2.646	30	40	KFEB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(I)c(OCC#N)c(OC)c3)C2=O)o1	409400564	UBWVRCQIRKKWDJ-ZSOIEALJSA-N	537.266	2.675	30	40	KFEB	
CCOc1ccc(CCNC(=O)Cc2ccc(/N=C3/N[C@@H]4CS(=O)(=O)C[C@@H]4S3)cc2)cc1OCC	9530036	VZQLQGDRWSSHDF-OFNKIYASSA-N	517.673	2.875	30	40	KFEB	
O=C(C1=C(O)C(=O)N([C@H]2CCS(=O)(=O)C2)[C@@H]1c1ccc(Cl)cc1)c1ccc(S(=O)(=O)N2CCCC2)cc1	98048204	SZLRCAOLEKDEPJ-SIKLNZKXSA-N	565.069	2.890	30	40	KFEB	
CC(C)(C)OC(=O)NCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1cccc(I)c1	101317901	WPFUNCZJGUDDGQ-YRUMVWCYSA-N	565.455	2.807	30	40	KFEB	
COC(=O)[C@H]1C[C@H](O)CN1C(=O)CO/N=C1/C=C2CC[C@H]3[C@@H]4CC[C@](O)(C(C)=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1	118918467	CJKRIXOGACCXAJ-ZGDXQEEVSA-N	530.662	2.777	30	40	KFEB	
C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4ccc(O)c([N+](=O)[O-])c4)c(=O)n32)cc1	408847417	MMCFHVJYRLANFG-LJJBLSSYSA-N	521.551	2.977	30	40	KFEB	
COc1c2c(cc3c1[C@@H](c1nnnn1C(c1ccccc1)c1ccccc1)[N+](C)(CC(N)=O)CC3)OCO2	12660682	BQRIAQVUYDYWNH-VOTTXDMFSA-O	513.578	2.626	30	40	KFEB	
C=C(C)CN1CCN(C(=O)CCCN(C)S(=O)(=O)c2ccc3c(c2)C(=O)c2ccccc2C3=O)CC1	20347428	PDKYUHFKXTVKTI-UHFFFAOYSA-N	509.628	2.583	30	40	KFEB	
COc1cc([C@@H]2/C(=C(\O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN2CCOCC2)cc(Br)c1O	102550401	JWHUMJSOOGMNAI-HOGKFDNTSA-N	575.412	2.688	30	40	KFEB	
Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCC(N)=O)c(I)c1	409281296	MFLWDLGEHHROSX-UHFFFAOYSA-N	541.143	2.818	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C\c1cc(Br)cc([N+](=O)[O-])c1O	408956993	RYSXJLSNALXMGO-LNLADJJRSA-N	608.402	2.583	30	40	KFEB	
COc1cc(/C=N\N(C)c2nc(N3CCCCC3)nc(N3CCCCC3)n2)ccc1OCC(=O)N1CCOCC1	409205523	OMWWCIYXJANXFV-BRPDVVIDSA-N	552.680	2.569	30	40	KFEB	
CCOc1cc(C=Nn2c(O)nc3ccccc3c2=O)cc(I)c1O[C@H](C)C(=O)OC	409364202	VXVUOUVKFVCSGA-GFCCVEGCSA-N	537.310	2.928	30	40	KFEB	
COc1cc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc([N+](=O)[O-])c1OCC(=O)Nc1cccc(F)c1	409405558	HVBNJRXWEWACBA-YKTUVVHCSA-N	508.462	2.901	30	40	KFEB	
COC(=O)C[C@H](c1c(O)ccc2c1O/C(=C\N1CCOCC1)C2=O)c1coc2ccc(OC)cc2c1=O	604405270	QGASXIAVYTZGEM-RIWZNOJBSA-N	507.495	2.951	30	40	KFEB	biogenic
CCOc1cc(C=Nn2c(O)nc3ccccc3c2=O)cc(I)c1O[C@@H](C)C(=O)OC	409364204	VXVUOUVKFVCSGA-LBPRGKRZSA-N	537.310	2.928	30	40	KFEB	
CN(CC(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCCCN2)cc1)S(=O)(=O)c1ccc(Cl)cc1	3443554	ABQVSNNWSSELLD-UHFFFAOYSA-N	513.041	2.850	30	40	KFEB	
COc1cc([C@@H]2c3cc4c(cc3[C@@H](OC(=O)C[n+]3ccccc3)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OC	5731926	KXUOHLZMIKUHDO-DWJNZRAMSA-N	534.541	2.948	30	40	KFEB	
C=CCOc1c(I)cc(I)cc1/C=C1\NC(=S)NC1=O	8435281	WEECNESNXKIZLL-YHYXMXQVSA-N	512.110	2.806	30	40	KFEB	
CCOC(=O)COc1c(Br)cc(/C=N\N[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1[N+](=O)[O-]	408954340	PKROGVICCRQBNA-PXBMVEHQSA-N	694.492	2.820	30	40	KFEB	
CC(=O)O[C@]1(C(=O)COC(=O)CCC(=O)NCC(=O)O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C	70692313	ZTNURFNXCRKDQE-XOAARHKISA-N	545.629	2.914	30	40	KFEB	biogenic
C#CCOc1ccccc1/C=c1/sc2n(c1=O)[C@@H](c1cccc(OC)c1OCC)C(C(=O)OCCOC)=C(C)N=2	408963560	FUOOFGFIWKUBAX-INZJWMLVSA-N	562.644	2.844	30	40	KFEB	
C=CCN1C(=O)/C(=c2/sc3n(c2=O)[C@H](c2ccc(OC)cc2OC)C(C(=O)OCC)=C(C)N=3)c2ccccc21	409389350	PSRSDTZRKFTHOQ-SBXHHDGASA-N	545.617	2.718	30	40	KFEB	
COC(=O)CC[C@H](O)[C@@]1(C(=O)OC)CC(=O)c2c(cc3c(c2O)[C@H]2C=C[C@@]4(C3)C(=O)c3cc(C)cc(O)c3C(O)=C4C2=O)O1	514288167	SICSUAZJUCXREK-XJGWRPCBSA-N	604.564	2.528	30	40	KFEB	biogenic,in-vitro
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N[C@@H](CCC(=O)O)C(=O)O	70697059	RFYYZFMOXYYAOI-HAQKLIRRSA-N	575.655	2.576	30	40	KFEB	biogenic
C=CCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)cc2)sc2cc(S(N)(=O)=O)ccc21	100874734	IHLSWYMQFALXIS-PBPKIEIKSA-N	548.712	2.944	30	40	KFEB	
Cc1c(Cl)ccc2c1NC(=O)[C@]21N[C@@H](CCC(N)=O)[C@H]2C(=O)N(c3sc4c(c3C#N)CCCC4)C(=O)[C@H]21	2221476	LFVZVNRHLHUCRK-PXYNUFBESA-N	538.029	2.651	30	40	KFEB	
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(OC)c(OC)c2OC)c(O)c1	20309763	KPWVZSCZAXCEEG-NRFANRHFSA-N	500.548	2.957	30	40	KFEB	
CC[C@@H](Sc1nc(-c2ccc(N(C)C)cc2)c(C#N)c(=O)[nH]1)C(=O)Nc1ccc(S(N)(=O)=O)cc1	20573032	SVTFCYVKSRSFSO-LJQANCHMSA-N	512.617	2.531	30	40	KFEB	
COc1ccc([C@H]2C(C(=O)c3cccc(S(=O)(=O)N4CCCCC4)c3)=C(O)C(=O)N2CCN2CCOCC2)cc1	98047950	QXYXBVKWWXUIFP-SANMLTNESA-N	569.680	2.780	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1cc(Cl)c(O)c(OCC)c1	408955500	QNVZPFBMEHEVSN-LZUCMQGPSA-N	563.007	2.965	30	40	KFEB	
CC(C)C[C@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@@]21C)C(=O)O	118922087	ZVHQVQOJWRLBNC-WNFHJGQBSA-N	575.699	2.728	30	40	KFEB	
Cc1nn(C)cc1Cn1c2c(c(=O)[nH]c1=O)C(C(F)(F)F)(C(F)(F)F)N=C(c1ccc(F)cc1)N2	20602313	SETGQDSMBDHSRR-UHFFFAOYSA-N	504.366	2.958	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C\c1cc(Cl)ccc1OC	408956048	RCMBRNMICKTBCN-SCHWWVHOSA-N	532.981	2.869	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1cccc(I)c1	408958961	XOWWCWYZCHURAV-XIABNSLWSA-N	594.406	2.812	30	40	KFEB	
CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@H](C(=O)O)[C@H](C)O)CC[C@]4(C)[C@H]3CC[C@@]21C	8788935	AIIRGQACJUSJNF-IAPBBCFSSA-N	504.624	2.592	30	40	KFEB	
C[C@]12C[C@H](O)[C@@H]3[C@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NCc1cccc2c1OCO2	70698980	BLVQLEYJEAAYBR-UCCIMSATSA-N	593.673	2.934	30	40	KFEB	biogenic
C=CCN1C(=O)[C@@]2(C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCN2CCOCC2)c2ccccc21	98047161	XQNCETRQFQQIMP-GEFUHLBYSA-N	543.620	2.997	30	40	KFEB	
C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@@]2(O)C(=O)COC(=O)CCC(=O)NCC1CCC(C(=O)O)CC1	118920842	DFQDPPOTXINHQE-GEGRKSPCSA-N	599.721	2.896	30	40	KFEB	
C#C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N\OCC(=O)N[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)O)C(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C	118918805	WYUHHNBNAWYJMG-LFBAATARSA-N	599.725	2.871	30	40	KFEB	
C#CCOc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1OC	408846942	LQYQEFYQTRPCAO-VGOFMYFVSA-N	546.273	2.707	30	40	KFEB	
Cc1ccc(S(=O)(=O)NC(=O)C(=NNc2ccc(Br)cc2)C(=O)NS(=O)(=O)c2ccc(C)cc2)cc1	8694648	GDKSLIDEVMQGDD-UHFFFAOYSA-N	593.481	2.844	30	40	KFEB	
CC(=O)OC[C@@H]1O[C@@H](OC2=C(CC=C(C)C)C(=O)c3ccccc3C2=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	5430622	FMNSNVSJQBSOAM-KIBWQBKSSA-N	572.563	2.776	30	40	KFEB	
CCOC(=O)N1CCN(c2nc3ccccc3nc2[C@H](C#N)C(=O)NCc2ccc3c(c2)OCO3)CC1	8836103	LCHUNNQORKWQPT-SFHVURJKSA-N	502.531	2.561	30	40	KFEB	
CCCCCCC[C@@H](CC(=O)O)OC(=O)C[C@@H](CCCCCCC)O[C@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]1O[C@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]1O	73417903	FCBUKWWQSZQDDI-ZHEZFXKCSA-N	650.803	2.549	30	40	KFEB	
C#CCOc1ccc([N+](=O)[O-])cc1/C=c1/sc2n(c1=O)[C@H](c1ccc(C)c([N+](=O)[O-])c1)C(C(=O)OCC)=C(C)N=2	105362891	BKVTXZWTHXFTJN-MGSPXPDISA-N	562.560	2.935	30	40	KFEB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC#N)c(OC)c3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	408928000	UCMHIHKIOJURCK-QKSFETHESA-N	532.622	2.775	30	40	KFEB	
COc1ccc(OC[C@@H](O)Cn2c(N/N=C/C(Br)=C/c3ccccc3)nc3c2c(=O)[nH]c(=O)n3C)cc1	97967070	ARUIFABENFOYJO-XLNULSCNSA-N	569.416	2.706	30	40	KFEB	
COC[C@@H](C)OC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCN(Cc2ccc3c(c2)OCO3)CC1	57063749	GEKQBGNRBCZKSD-QUCCMNQESA-N	503.559	2.866	30	40	KFEB	
COc1cccc([C@H]2/C(=C(\O)c3c(C)nc4ccccn34)C(=O)C(=O)N2CCCN2CCOCC2)c1OC	102508574	OCTLVRGHRPHAAO-UVDRRRQGSA-N	520.586	2.804	30	40	KFEB	
COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@@]21C	118921960	LSBAJWCLHNATOA-MEQKMJDNSA-N	639.742	2.719	30	40	KFEB	
CCC[C@@H]1O[C@@H]2C[C@@H]3[C@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@H]4[C@@H](O)C[C@]3(C)[C@@]2(C(=O)COS(C)(=O)=O)O1	245230563	UNRWYSJKJKUNPJ-QEAOAXIXSA-N	508.633	2.701	30	40	KFEB	
CC(=O)O[C@]1(C(=O)COC(=O)CCC(=O)N[C@H](CC(=O)O)C(=O)O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C	70692252	RBWQCFLZMDHLPU-BOUVXBLDSA-N	603.665	2.757	30	40	KFEB	biogenic
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1cccc(Br)c1	408942484	DRIXEWZYGPBHLX-GSKHPKCTSA-N	547.406	2.970	30	40	KFEB	
CCOC(=O)CC[C@@H](NC(=O)c1ccc(N(CC[C@@H]2CO2)S(=O)(=O)c2ccc(C)cc2)cc1)C(=O)OCC	4974686	CYNSYJVXNPSCMX-ISKFKSNPSA-N	546.642	2.984	30	40	KFEB	
COc1cc(/C=N/Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	6907003	XKEHWZXGVWXETG-WGOQTCKBSA-N	581.546	2.608	30	40	KFEB	
CC(=O)O[C@H]1C[C@H]2[C@@H](C)C(=O)[C@]3([C@@H]1[C@]1(C=O)[C@H](OC(C)=O)CCC(C)(C)[C@H]1C[C@H]3OC(C)=O)[C@@H]2OC(C)=O	100643830	UHPAGHWLBRYKCY-RSYMIJLBSA-N	534.602	2.580	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1cc(I)c(OC)c([N+](=O)[O-])c1	408959471	ZUULQXUWZQLPNU-OKFFUVHGSA-N	669.429	2.729	30	40	KFEB	
COc1cc(C(=O)O[C@H](C(=O)Nc2ccc(C#N)cc2)[C@@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)O)ccc1OC(C)=O	409385843	KIJNFQGQLGPFHK-RRPNLBNLSA-N	634.550	2.900	30	40	KFEB	
CCCOc1ccc(/C=N/Nc2nc3c(c(=O)[nH]c(=O)n3C)n2C[C@@H](O)COc2ccc(CC)cc2)cc1	6162437	WLWPZDZWDICHBI-ZTAUZCEESA-N	520.590	2.660	30	40	KFEB	
C#CCn1cc(/C=N\N[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)c2ccccc21	408941951	DEJDPOGKCOOQGS-GCFPKEOMSA-N	545.596	2.795	30	40	KFEB	
CSCC[C@H](NC(=O)[C@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)C(C)C)C(=O)O	150344915	NFFAFKACCGSCKL-CEYVQKOVSA-N	692.872	2.576	30	40	KFEB	
CCOC(=O)COc1ccc(/C=N/N[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1Br	408937853	AAPDNLHFTXJMAR-DSLIHSBLSA-N	649.495	2.912	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1ccccc1Cl	408952358	OAIVXRRDETVNRP-GSKHPKCTSA-N	502.955	2.861	30	40	KFEB	
CCCN1C(=O)[C@]2(C(C(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)=C(O)C(=O)N2CCN(C)C)c2ccccc21	98046883	DTAYOQMWEKEDTC-SSEXGKCCSA-N	580.707	2.912	30	40	KFEB	
C#CCOc1ccc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc1I	409209919	JTFQKIPIQNUYTM-GZTJUZNOSA-N	519.270	2.974	30	40	KFEB	
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccc(Cl)c2)c1C	9045893	GULYNDYDKOGSPW-OAQYLSRUSA-N	501.967	2.982	30	40	KFEB	
C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)O	79221549	OIFUSWZLCJYPAZ-PIPMUDGMSA-N	662.736	2.888	30	40	KFEB	
CS(=O)(=O)O[C@@H]1[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)CO[C@@H]1OC(=O)c1ccccc1	101136706	MBBLDWQNHWZAHE-QSGNWFJVSA-N	540.546	2.996	30	40	KFEB	
CCOC(=O)c1[nH]c(C)c(/C(O)=C2\C(=O)C(=O)N(CCN(C)C)[C@H]2c2cc(OC)c(OC)c(OC)c2)c1C	102533425	KZBKVFHJASDNOR-HFEWCJDKSA-N	529.590	2.817	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1ccc(OCC#N)c(I)c1	408958550	WGFUFTVZTOADGC-LXIFSBEASA-N	649.442	2.714	30	40	KFEB	
C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)cc1	1824454	MMVGLWBQVWOAOL-LJJBLSSYSA-N	519.535	2.798	30	40	KFEB	
COc1cccc([C@@H]2/C(=C(\O)c3c(C)nc4c(C)cccn34)C(=O)C(=O)N2CCN2CCOCC2)c1OC	102512151	REMIPRWEYUCJGU-COUQNMRISA-N	520.586	2.722	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C\c1c(C)n(CC#N)c2ccccc12	408946919	IXPMQUOWXFNDJA-NNAQDJHZSA-N	560.611	2.994	30	40	KFEB	
O=C(O)COCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(N2CCC(Cc3ccccc3)CC2)cc1	59664843	YDZPMEWCPNRZLR-IOIPZLBWSA-N	557.694	2.848	30	40	KFEB	
C[C@@H](C(=O)Oc1ccc([C@@H]2C3=C(Nc4c2c(=O)n(C)c(=O)n4C)c2ccccc2C3=O)cc1)N1C(=O)c2ccccc2C1=O	103748116	DSGYFQFOIMTABC-QMHKHESXSA-N	588.576	2.839	30	40	KFEB	
CSCC[C@H](NC(=O)[C@@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)C(C)C)C(=O)O	150344913	NFFAFKACCGSCKL-DWVSQFOSSA-N	692.872	2.576	30	40	KFEB	
CCOC(=O)COc1c(I)cc(/C=N/N[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OC	408958926	XJNSOULKUDBYLD-CPVPUQAFSA-N	726.521	2.762	30	40	KFEB	
COC(=O)CC[C@@H](O)[C@]1(C(=O)OC)CC(=O)c2c(cc3c(c2O)[C@H]2C=C[C@@]4(C3)C(=O)c3cc(C)cc(O)c3C(O)=C4C2=O)O1	514288164	SICSUAZJUCXREK-IXDBXILPSA-N	604.564	2.528	30	40	KFEB	biogenic,in-vitro
CC(=O)O[C@H]1C[C@H]2[C@@H](C)C(=O)[C@@]3([C@@H]1[C@]1(C=O)[C@H](OC(C)=O)CCC(C)(C)[C@H]1C[C@H]3OC(C)=O)[C@@H]2OC(C)=O	68601802	UHPAGHWLBRYKCY-NPWZZZRZSA-N	534.602	2.580	30	40	KFEB	
CCOC(=O)[C@@H]1/C(=N/NS(=O)(=O)c2ccc(C)cc2)C[C@](C)(O)[C@H](C(=O)OCC)[C@H]1c1ccccc1	15105876	XCHGLPYETUMHLR-MMRWLRQTSA-N	516.616	2.926	30	40	KFEB	
Cn1c(=O)[nH]c(=O)c2c1nc(N/N=C/c1ccc(Br)cc1)n2C[C@@H](O)COc1ccc(Br)cc1	97958790	VKIXPDKUHBGWMK-DTKBVBGUSA-N	592.248	2.834	30	40	KFEB	
COc1ccc(CCN2/C(=N\C(=O)Cc3ccc(OC)c(OC)c3)S[C@H]3CS(=O)(=O)C[C@H]32)cc1	101302897	KQANKBAJZFRKMG-UMOGQOQMSA-N	504.630	2.595	30	40	KFEB	
CCCOc1ccc(/C=N/N[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1	408946225	IGUVQTDMERTNKH-ASZYGDGUSA-N	526.590	2.996	30	40	KFEB	
CCOC(=O)C1=C(NC(=O)CC)S/C(=C\c2cc(OC)c(OCC(=O)O)cc2Br)C1=O	409079616	LHBBYNWKUSNTGE-AUWJEWJLSA-N	514.350	2.879	30	40	KFEB	
C=CCN1C(=O)/C(=C\c2cc(I)c(OCC(=O)O)c(OCC)c2)N(C)C1=S	2799588	CXNDNSTYPCEJID-MDWZMJQESA-N	502.330	2.739	30	40	KFEB	
C=CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1	8433214	BKCPKYODJAHOAO-SANMLTNESA-N	563.636	2.917	30	40	KFEB	
O=[N+]([O-])c1ccc(N/N=C/c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c(S(=O)(=O)N2CCOCC2)c1	8809798	NKDKJXWAVBNASD-PXLXIMEGSA-N	504.525	2.570	30	40	KFEB	
C=CCn1c(=O)c2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2n(CC(=O)Nc2cccc(OC)c2)c1=O	101432494	AONRGDSEJCXDRO-UHFFFAOYSA-N	542.548	2.655	30	40	KFEB	
COC(=O)c1ccc([C@H]2/C(=C(\O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCN2CCOCC2)cc1	102882826	OPFZEINYGNKVGT-FYPOKDMHSA-N	520.582	2.941	30	40	KFEB	
C=CCN(c1ccccc1OC)S(=O)(=O)c1cccc(C(=O)OCC(=O)N2C[C@@H](C)O[C@H](C)C2)c1	35535090	YXMBEZZQPDRHPG-RTBURBONSA-N	502.589	2.869	30	40	KFEB	
COCCN1C(=O)C(=O)/C(=C(/O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@H]1c1ccc(C(C)C)cc1	102871440	AEXRJOTZZUKOAD-SBXHHDGASA-N	528.627	2.899	30	40	KFEB	
CC(=O)OC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)C(/C=N/Nc1ccccc1)=N/Nc1ccccc1	4721331	MLNCNATWGIZADS-YYFWRUOFSA-N	598.609	2.842	30	40	KFEB	
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NCCc1ccc(O)c(O)c1	70692403	NLCKTSCVJVRAIX-REFOUDIZSA-N	595.689	2.659	30	40	KFEB	biogenic
CN(C)S(=O)(=O)c1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(Cl)cc2)cc1	97951215	BKJBQDWASQGCBI-HSZRJFAPSA-N	548.061	2.891	30	40	KFEB	
C#C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)O)C(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C	118918806	WYUHHNBNAWYJMG-AHQWMLICSA-N	599.725	2.871	30	40	KFEB	
COc1ccc(/C=N/N=c2[nH]c3nonc3[nH]c2=Nc2ccc(I)cc2)cc1[N+](=O)[O-]	408733539	ZBGWIYFWXKYIQG-AWQFTUOYSA-N	532.258	2.568	30	40	KFEB	
CCOc1cc(/C=N/N[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)ccc1OCC#N	408946221	IGTJLZVNWMIXNP-PHGNHSODSA-N	567.599	2.508	30	40	KFEB	
C=CCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3CCCC[C@@H]3C)cc2)sc2cc(S(N)(=O)=O)ccc21	100874801	RFKGOFBDAQHTRM-LDWQWDCMSA-N	534.685	2.840	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1cc(Cl)c(O)c(OCC)c1	408955514	QNVZPFBMEHEVSN-QPXJVWDBSA-N	563.007	2.965	30	40	KFEB	
CCOC(=O)[C@H]1[C@H](c2ccccc2)[C@@H](C(=O)OCC)/C(=N/NS(=O)(=O)c2ccc(C)cc2)C[C@]1(C)O	36556728	XCHGLPYETUMHLR-OPEBFYKVSA-N	516.616	2.926	30	40	KFEB	
CC[C@@H](C)C(=O)O[C@@H]1[C@@H](O)C[C@@H]2[C@](COC(C)=O)([C@H](OC(C)=O)C[C@H](C)[C@@]2(C)[C@H]2C[C@@H]3CCO[C@@H]3O2)[C@]12CO2	1077996805	XMVULWKEVGKECE-LQSXFPKBSA-N	552.661	2.773	30	40	KFEB	biogenic
COc1c(/C=N/Nc2nc(=Nc3cc(C)ccc3C)nc(N3CCOCC3)[nH]2)cc([N+](=O)[O-])cc1[N+](=O)[O-]	408718512	SZJPIPGJYQXPHF-ZMOGYAJESA-N	523.510	2.762	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1ccc(OC)c(Br)c1	408942976	DXWZRQNNPOXEDT-ZOWGGAOYSA-N	577.432	2.978	30	40	KFEB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC#N)c(OC)c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409038012	OIFOQWKTNDHWJD-FSFYKJEYSA-N	621.668	2.660	30	40	KFEB	
C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)cc3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)cc1	2301451	MECKMYFEBTXVNT-DLBLZJNESA-N	504.564	2.898	30	40	KFEB	
COC[C@H](C)OC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCN(Cc2ccc3c(c2)OCO3)CC1	57063748	GEKQBGNRBCZKSD-ICSRJNTNSA-N	503.559	2.866	30	40	KFEB	
CCc1ccc([C@H]2C(C(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)=C(O)C(=O)N2CCCN2CCOCC2)cc1	98047958	ZRBRROGLNVNEIR-MHZLTWQESA-N	583.707	2.571	30	40	KFEB	
COc1ccc(OC)c(N2/C(=N\C(=O)Cc3ccc(OC)c(OC)c3)S[C@@H]3CS(=O)(=O)C[C@@H]32)c1	101304693	MFEVAZAYWCRNSA-BHIIIBOVSA-N	506.602	2.565	30	40	KFEB	
CCOc1ccc(N2C(=O)/C(=C/c3ccc(CN(CCC#N)S(C)(=O)=O)o3)N(CC(=O)OC)C2=S)cc1	409140774	IOEATZVFQJCXRR-STZFKDTASA-N	546.627	2.501	30	40	KFEB	
CCOc1ccc(S(=O)(=O)NCCC(=O)OCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)cc1	3355766	QTASAEZGQNGZHE-HNNXBMFYSA-N	505.618	2.994	30	40	KFEB	
C#CCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N(CCC)CCC)cc2)sc2cc(S(N)(=O)=O)ccc21	100875593	JIQHRHKARGBFJY-BZZOAKBMSA-N	534.685	2.535	30	40	KFEB	
CO[C@@H]1C=CO[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C(=O)C(CO)=C(NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O	263597782	HDZZOQGHCQOHLC-LEQBDWEKSA-N	725.788	2.993	30	40	KFEB	
COC1=C2C[C@H](C)C[C@H](OC)[C@H](O)[C@H](C)C=C(C)[C@H](OC(=N)O)[C@@H](OC)C=CC=C(C)C(=O)NC(=C(O)C1=O)C2=O	958322915	JBGGGJXLNZQZKM-IONCJPJOSA-N	576.643	2.708	30	40	KFEB	biogenic,in-vitro
COc1cc([C@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CCN2CCOCC2)cc(OC)c1OC	8835358	DEONVZXSCBHKMC-FQEVSTJZSA-N	517.604	2.696	30	40	KFEB	
CO[C@@H]1C[C@H](O[C@@H]2CC[C@]3(C#N)[C@H]4CC[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)O[C@H](C)[C@H]1O	70708161	PQYWNPQSYWMPGQ-OEUIKRKZSA-N	545.673	2.758	30	40	KFEB	biogenic
CC(C)(C)OC(=O)NCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cccc(I)c1	101317906	WPFUNCZJGUDDGQ-MYKXQOSBSA-N	565.455	2.807	30	40	KFEB	
CC(=O)OC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)C(/C=N\Nc1ccccc1)=N\Nc1ccccc1	104253472	MLNCNATWGIZADS-VQKDTRPBSA-N	598.609	2.842	30	40	KFEB	
CC(=O)O[C@@H]1C[C@H](O[C@@H]2CC[C@]3(C=O)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@@]5(O)[C@@H]4CC[C@]3(O)C2)O[C@H](C)[C@H]1OC(C)=O	118921715	PHSBHTPVOGIRQM-DBCQNCBFSA-N	618.720	2.921	30	40	KFEB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC#N)c(OC)c3)c(=O)n2[C@@H]1c1cccc(OC)c1	408927882	SZHKLIWRXKHZCJ-IGSWSUAKSA-N	519.579	2.718	30	40	KFEB	
CCOC(=O)COc1cc(Br)c(/C=N/N[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OC	408940886	CMNCMJKAGITLMV-GVOLPHLBSA-N	679.521	2.920	30	40	KFEB	
CCOC(=O)COc1c(Br)cc(/C=N/N[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OC	408947739	JOVAQRCWRJQCBA-ANXAOISFSA-N	679.521	2.920	30	40	KFEB	
C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)cc3)c(=O)n2[C@H]1c1ccc(OC(C)=O)cc1	2301453	MECKMYFEBTXVNT-FCKOQQNDSA-N	504.564	2.898	30	40	KFEB	
COc1cc(/C=N/Nc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2)ccc1OC(=O)c1ccco1	8683384	WDJKUQQJJGUWDH-RWPZCVJISA-N	528.525	2.749	30	40	KFEB	
CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@]23C(=O)N(CC)c2ccccc23)cc1	24147542	VJKZXLZJUWZZMJ-GDLZYMKVSA-N	519.598	2.907	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C\c1cc(Br)cc(OC)c1OCC#N	408951312	NAVJBHNMXOFXLQ-UALNODDKSA-N	632.468	2.881	30	40	KFEB	
COc1ccc(-c2cc(-c3ccco3)c(C#N)c(=O)n2[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]2OC(C)=O)cc1	5808685	VMGHZVDHKNGKKJ-VLLGUPHNSA-N	622.583	2.911	30	40	KFEB	
COCCN1C(=O)C(O)=C(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@@H]1c1ccc(Br)cc1	6079919	CSJGOAZEHSWMRI-IBGZPJMESA-N	523.405	2.924	30	40	KFEB	
COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCN2CCOCC2)cc1OC	20219303	ZAFQWJIVFNDCME-RUZDIDTESA-N	524.570	2.776	30	40	KFEB	
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2C[C@H]2CCCO2)c(OC)c2c1OCO2	85412812	JBCKALSKSCWBLU-JLTOFOAXSA-N	511.483	2.919	30	40	KFEB	
CC(=O)Oc1c(C)c2c(O)c3c1C1=C(OCOC1=C(C)C3=O)C(C)=C[C@](C)(O)[C@H](O)[C@H](C)[C@H](O)[C@H]1C(=O)O[C@@H]([C@H](C)[C@@H]1O)[C@@](C)(O)C=CC=C(C)C(=O)N2	254093030	LMKBJVKXRKQNGU-HROFAVQOSA-N	753.798	2.611	30	40	KFEB	
C=CCN1C(=O)/C(=c2\sc3n(c2=O)[C@H](c2ccccc2Cl)C(C(=O)OCCOC)=C(C)N=3)c2ccccc21	1813702	FQTVNLKDKUWSET-UGUGFTGJSA-N	550.036	2.981	30	40	KFEB	
Cc1c(/N=C2\S[C@@H](CC(=O)O)C(=O)N2/N=C/c2ccc(N(C)C)cc2)c(=O)n(-c2ccccc2)n1C	2689069	YDDMDOORCSHGMR-NMIVBURNSA-N	506.588	2.991	30	40	KFEB	
COc1ccc(/C=c2/sc3n(c2=O)C(N)=C(S(=O)(=O)c2ccccc2)[C@H](c2ccc(OC)cc2)C=3C#N)cc1	101393941	XGKUSWSNKCBMEW-NPWCAHBGSA-N	557.653	2.786	30	40	KFEB	
CCOC(=O)[C@@H]1/C(=N/NS(=O)(=O)c2ccc(C)cc2)C[C@](C)(O)[C@H](C(=O)OCC)[C@@H]1c1ccc(OC)c(O)c1	105540696	HQHWFPSAJVRMRN-PNNNDWJQSA-N	562.641	2.641	30	40	KFEB	
CO[C@@H]1[C@H](O[C@@H]2CC[C@]3(C=O)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@@]5(O)[C@@H]4CC[C@]3(O)C2)O[C@H](C)[C@@H](OC(C)=O)[C@H]1OC	123347765	CPMCFEFLJDDPET-ODROLLRSSA-N	620.736	2.629	30	40	KFEB	
CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)/C(=C(/C)NCCCC(=O)N3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)C(=O)[C@@]12C	257198715	GZPQCQIMBUUENJ-WJUCYBRZSA-N	601.656	2.746	30	40	KFEB	
COc1cccc([C@H]2/C(=C(\O)c3c(C)nc4c(C)cccn34)C(=O)C(=O)N2CCN2CCOCC2)c1OC	102512144	REMIPRWEYUCJGU-BUANBSPESA-N	520.586	2.722	30	40	KFEB	
C=CCn1c(COc2ccc(CC)cc2)nnc1SCC(=O)N(CCOC)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	103066885	GCPFYXLHTHCHID-UHFFFAOYSA-N	605.721	2.858	30	40	KFEB	
COC(CNC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C)OC	70698716	HILGGRLSUGSIMC-XOAARHKISA-N	533.662	2.877	30	40	KFEB	biogenic
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1c[nH]c2ccccc12	408958135	VIDICEFHDXQWSS-IRWRDOPVSA-N	507.547	2.688	30	40	KFEB	
CCOC(=O)COc1c(/C=N\N[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc(Br)cc1OC	408942652	DXROPMNDJFEHEF-AFPWNFEBSA-N	679.521	2.920	30	40	KFEB	
C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2	118926694	GQCRLEVUEASHLP-HTFWSQSISA-N	526.626	2.855	30	40	KFEB	
C#CCOc1c(I)cc(/C=N/N[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OC	408959324	ZFXALUHAJGEKFX-UHSBKBDLSA-N	678.480	2.832	30	40	KFEB	
CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=NOCC(=O)N5C[C@H](O)C[C@H]5C(=O)O)CC[C@]4(C)[C@H]3CC[C@@]21C	253534061	XQSIZZYMZMLQIG-PPFNNCELSA-N	516.635	2.688	30	40	KFEB	biogenic
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1cc(Cl)c(OC)c(OC)c1	408955006	PXHRHCHGFWMRJA-PZGWMSGBSA-N	563.007	2.878	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C\c1cc(Br)ccc1O	408959144	YMLOFNKBQLBAGM-CZNLDVMXSA-N	563.405	2.675	30	40	KFEB	
COc1cc(OC)c2c(c1Cl)O[C@@]1(C(=O)C=C(Nc3ccc4c(c3)[nH]c(=O)c(=O)n4C)C[C@H]1C)C2=O	524729530	XPNDUGOPYPKRGT-NDHGSNPTSA-N	511.918	2.816	30	40	KFEB	biogenic
COc1ccc(-c2c(C(C)=O)c(-c3ccccc3)n([C@@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]3O)c(=S)c2C#N)cc1	5956224	QVTGJGCRDSYEJT-WWCQIOBWSA-N	522.579	2.607	30	40	KFEB	
CO[C@@H]1C[C@H](O[C@@H]2CC[C@]3(/C=N/CCCO)[C@H]4CC[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)O[C@H](C)[C@@H]1O	70708178	WTQHODYWVQKVNY-KGNAFCFWSA-N	605.769	2.688	30	40	KFEB	biogenic
CCCCCCCCCCNC(=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)OC(C)=O	104329945	LXDXDHMHJIMYDW-ZGFBMJKBSA-N	545.626	2.533	30	40	KFEB	
CC(C)C[C@@H](NC(=O)[C@@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)C(C)C)C(=O)O	150344964	NHWZGIMDIXDYFH-MLCAAJQZSA-N	674.832	2.869	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1	408950596	MJCFGJSJEOBLAU-ROKKHWFHSA-N	547.952	2.769	30	40	KFEB	
CCOC(=O)[C@H](C)Oc1c(I)cc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1OC	409402842	GHDWFVOIBGWCHE-TUEPYVCHSA-N	538.338	2.771	30	40	KFEB	
C=CCn1c(=O)/c(=C2/Sc3ccc(OC)cc3N2C)s/c1=C1/C(=O)N(C)C(=S)N1c1ccccc1	100499484	RDFMSGJKXMTCJJ-SRPFLQSCSA-N	522.677	2.784	30	40	KFEB	
CCN1C(=O)[C@]2(C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCN2CCOCC2)c2ccccc21	24192893	UALWDMANWYWMPD-WWOZWPLTSA-N	531.609	2.831	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1cc(Cl)c(OCC#N)c(OC)c1	408958725	WMYVUWFGLAQWLE-SREUWLBMSA-N	588.017	2.771	30	40	KFEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C\c1cc(I)c(O)c(OCC)c1	408959422	ZPAKULQQDGWHLN-IRPDQSHZSA-N	654.458	2.916	30	40	KFEB	
CC(=O)OC[C@@H]1O[C@H](n2c(C)cc(-c3ccco3)c(C#N)c2=S)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	5955307	GFBCPZRUOVRRAL-LSDVVMKASA-N	546.554	2.913	30	40	KFEB	
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccc(OC)c2)c1C	8895926	UDUKXIBIYZJSTC-QHCPKHFHSA-N	511.575	2.727	30	40	KFEB	
CCCCCCCC(=O)OCC(=O)[C@@]1(O)Cc2c(O)c3c(c(O)c2[C@H](O[C@@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C1)C(=O)c1c(OC)cccc1C3=O	95740172	MFUJRSZQSMPGLX-JRGONAMDSA-N	669.724	2.913	30	40	KFEB	
COC(=O)/C=C/[C@]12COC(C)(C)[C@H]1[C@H](O)[C@@H](OC(C)=O)[C@]1(C)[C@@H]2CC[C@@]2(C)[C@@H](c3ccoc3)OC(=O)[C@@H]3O[C@@]321	72320472	XWOZTQQJYJMHSX-GUIAAWCPSA-N	544.597	2.885	30	40	KFEB	biogenic,in-vitro
COC(=O)c1ccc([C@H]2C(C(=O)c3c(C)[nH]c(C(=O)OC)c3C)=C(O)C(=O)N2CCCN2CCOCC2)cc1	97953148	QTXJXBQRHITFRA-QHCPKHFHSA-N	539.585	2.505	30	40	KFEB	
CCOc1cccc(/C=N\N[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)c1	408943705	GAGCXIUFXCOVGK-YUAMXHCBSA-N	512.563	2.606	30	40	KFEB	
O=C(Nc1ccc(S(=O)(=O)/N=C2\CCCCCN2)cc1)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1	2638661	XHNGQHFWEBVPPZ-KRWDZBQOSA-N	512.588	2.700	30	40	KFEB	
COc1ccc(OC)c([C@H]2C(C(=O)c3c(C)nc4ccccn34)=C(O)C(=O)N2CCCN2CCOCC2)c1	8827101	RKLJLBKZBMKUSE-VWLOTQADSA-N	520.586	2.961	30	40	KFEB	
COc1ccc2c3c1O[C@H]1[C@@]4(OC)C=C[C@@]5([C@@H]6[C@@H]4C(OS(=O)(=O)c4ccc(C)cc4)=CS6(=O)=O)[C@@H](C2)N(C)CC[C@]315	70665020	DCZYXTFPZNWWQB-YFHMFROQSA-N	597.711	2.878	30	40	KFEB	biogenic
COc1ccccc1N/N=C1/C=C/C(=N/C(=O)COC(=O)[C@@H](C)NS(=O)(=O)c2ccccc2F)C=C1C	103059791	MGJHCQNLYNJDTP-XZMPJBQISA-N	528.562	2.996	30	40	KFEB	
C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@]2(O)C(=O)COC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2	118926698	GQCRLEVUEASHLP-IPRGOQNBSA-N	526.626	2.855	30	40	KFEB	
CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N\OCC(=O)N[C@@H](C(=O)O)[C@H](C)O)CC[C@]4(C)[C@H]3CC[C@@]21C	118934138	AIIRGQACJUSJNF-YHNIUBDNSA-N	504.624	2.592	30	40	KFEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1cc(Cl)c(OCC(=O)OC)c(OCC)c1	408944493	GQBGCUQOBNUMDO-CAVNYTLZSA-N	635.070	2.811	30	40	KFEB	
Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)cc([N+](=O)[O-])c1OCC(N)=O	409284341	UCOUMLRKCARWGZ-UHFFFAOYSA-N	539.140	2.884	30	40	KFEB	
C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(C)C)cc3)c(=O)n2[C@H]1c1ccc(OC(C)=O)cc1	1818428	PJHKJCPQBXWHFC-ZDQFFALBSA-N	517.607	2.956	30	40	KFEB	
CC[C@@H](C)[C@H](NC(=O)[C@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)C(C)C)C(=O)O	150344837	SVMLVPRFQSDMBZ-OHUWIOBRSA-N	674.832	2.869	30	40	KFEB	
CCOC(=O)[C@@H](C)Oc1c(Br)cc(C=Nn2c(O)nc3ccccc3c2=O)cc1[N+](=O)[O-]	409349396	QRESBFCQKSFFTJ-LLVKDONJSA-N	505.281	2.985	30	40	KFEB	
C=CCN1C(=O)[C@H](CC(=O)Nc2ccccc2)S/C1=N\c1ccc(S(=O)(=O)N2CCOCC2)cc1	102961201	LKVIZBBHSFXXAZ-TYGLDRHGSA-N	514.629	2.854	30	40	KFEB	
COC(=O)[C@H]1C[C@H](O)CN1C(=O)CON=C1C=C[C@@]2(C)C(=C1)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O	253533807	RSSJAWQURRUEQB-FWSACKGFSA-N	500.636	2.984	30	40	KFEB	biogenic
CCOc1ccc([C@@H]2/C(=C(\O)c3c(C)[nH]c(C(=O)OC)c3C)C(=O)C(=O)N2CCCN2CCOCC2)cc1	9353651	DAXZTUWCOFFTRA-ZZIWUOEGSA-N	525.602	2.961	30	40	KFEB	
C=CCn1c(SCC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(CC(=O)OC)c2=O)nnc1-c1ccc(Cl)cc1	103072572	WIIRWFLIAZAVLN-UHFFFAOYSA-N	581.054	2.886	30	40	KFEB	
O=C(C[C@H]1S/C(=N/N=C/c2cccs2)NC1=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1	8722410	PGAIVIMDLNVZCN-SDLXJUDFSA-N	505.647	2.873	30	40	KFEB	
C=CCN(CC=C)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3cc(OC)ccc3n2CC(=O)OC)cc1	100877060	YOUUPFBMTOLVER-IZHYLOQSSA-N	515.613	2.988	30	40	KFEB