smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
c1ccc(CN[C@@H]2CO[C@@H]3[C@@H](Nc4nccc(-c5cccs5)n4)CO[C@@H]23)nc1	25431854	BUXUCNNGXPRQHJ-KCITZHQASA-N	395.488	2.337	0	1	GEAF	biogenic
CN(C)c1ccc(-c2ccnc(N[C@@H]3CO[C@@H]4[C@@H](NCC5CC5)CO[C@@H]34)n2)cc1	25435408	NXWFQZCBTMXHRQ-BQJUDKOJSA-N	395.507	2.156	0	1	GEAF	biogenic
COCCOc1cncc(-c2cc(NC(C)=O)nc(-n3nc(C)cc3C)n2)c1	42887715	LHFROBFAPLSYRB-UHFFFAOYSA-N	382.424	2.325	0	1	GEAF	
COc1ccc(-c2cc3c(cn2)CCc2c-3[nH]c3c2C(=O)NC2(CNC2)C3)cc1	72109350	PHUWYUDQWSFJAL-UHFFFAOYSA-N	386.455	2.479	0	1	GEAF	
Cn1c(=O)c2c(nc(CSc3cccc(Br)c3)n2C)n(C)c1=O	84732154	IDHVADDUKGCQIO-UHFFFAOYSA-N	395.282	2.026	0	1	GEAF	
CCOC(=O)Cc1ccc2[nH]c(-c3cc(S(=O)(=O)NC(C)C)c[nH]3)nc2c1	586936008	LXIOXTIOMRUIRH-UHFFFAOYSA-N	390.465	2.350	0	1	GEAF	
CCc1cc(O)nc(SCc2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)n1	586966696	LIKCWKGEAYSOGI-UHFFFAOYSA-N	393.494	2.164	0	1	GEAF	
Cc1nn(C)c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NC2CCCCCC2)C1	5005247	KQCIZPUDLOHUJC-INIZCTEOSA-N	396.557	2.277	0	3	GEAF	aggregator
COc1ccc(CCN(C)[C@H]2CCCN(C(=O)c3ccnn3C)C2)cc1OC	12054462	IQBVTEPKUNDPNL-KRWDZBQOSA-N	386.496	2.216	0	3	GEAF	
c1ccc(-c2cn(C[C@H]3CC[C@H](Cn4cc(-c5ccccn5)nn4)O3)nn2)nc1	15941098	XLPYTSZLWVVXSL-HZPDHXFCSA-N	388.435	2.241	0	3	GEAF	
CCOc1ccccc1[C@H]1ON=C(c2ccccc2)[C@@H]1C(=O)NCCOCCO	4049152	QAADAUHTXIFHSN-PZJWPPBQSA-N	398.459	2.302	0	1	GEAF	
CC[C@@H]1CCCCN1C(=O)CCS(=O)(=O)c1cc2c(cc1C)NC(=O)CO2	6893214	GCQJHMICWQDFKS-CQSZACIVSA-N	394.493	2.281	0	1	GEAF	
Cn1cc(C[C@H](C(=O)O)N2C(=O)c3ccc(C(=O)O)cc3C2=O)c2ccccc21	13815970	RRZZQDKNPVPQGW-QGZVFWFLSA-N	392.367	2.168	0	1	GEAF	
O=C(O)C/C=C/C=C/C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)COc1ccccc1	28474748	WKVAGWPPNDAGQC-JXLCEVBUSA-N	388.460	2.318	0	1	GEAF	
CC(C)n1cc(C(=O)O)c(=O)c2c(F)c(F)c(N3CCN(C)CC3)c(F)c21	28759336	TVSXUFPJKRKKAS-UHFFFAOYSA-N	383.370	2.450	0	1	GEAF	
CN1C(=O)N(c2ncc(F)cn2)C[C@H]1C(=O)NCc1ccc(Cl)cc1Cl	43199823	AWKUOPJJDWHDLQ-ZDUSSCGKSA-N	398.225	2.479	0	1	GEAF	
S=C(NCc1ccco1)NC[C@H]1C[C@H]2CCN1C[C@@H]2CN1CCSCC1	43527279	AIYATVHGDYKGOK-IXDOHACOSA-N	394.610	2.003	0	1	GEAF	biogenic
NS(=O)(=O)c1cccc(C(=O)N2CCC(C(=O)c3ccc(F)cc3)CC2)c1	49938527	FZOJAYJACBTLNA-UHFFFAOYSA-N	390.436	2.208	0	1	GEAF	
COCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1coc2c(ccc3occc32)c1=O	71341287	PCJJXXZMCMXAMY-MRXNPFEDSA-N	398.371	2.357	0	1	GEAF	
CC(=O)NCSC[C@H](CO)NC(=O)c1coc(-c2ccc3ccccc3c2)n1	82084181	FGYRCPNFJZLRMC-KRWDZBQOSA-N	399.472	2.412	0	1	GEAF	
C/C=C/c1ccc([C@@H]2[C@H](CO)N(C(C)=O)[C@H]2CNC(=O)c2ccncc2)cc1	95895138	WPDUKSWRCNVHDG-HZSFCRQLSA-N	379.460	2.220	0	1	GEAF	
COc1ccc(CCNC(=O)c2c(C)[n+]([O-])c3ccc(Cl)cc3[n+]2[O-])cc1	102006805	IOQMYXDBRPKHQX-UHFFFAOYSA-N	387.823	2.050	0	1	GEAF	
CN(c1cc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)ncn1)C1CCCCC1	143495645	STAHAMMHAUKRKR-UHFFFAOYSA-N	389.481	2.145	0	1	GEAF	
c1nc(N2CCC[C@@H](CN3CCOCC3)C2)c2ccc(N3CCOCC3)cc2n1	205121645	DUHHHHIFCZLJGE-SFHVURJKSA-N	397.523	2.015	0	1	GEAF	
O=C(NCc1ccc(S(=O)(=O)c2ccccc2)cn1)c1ccc2nccn2c1	205974149	AQEWGVHIHMDDSF-UHFFFAOYSA-N	392.440	2.492	0	1	GEAF	
COc1ccc2c(c1O)N(C(C)=O)[C@H]1[C@@H]3CO[C@H](C)[C@@H]4CN5CC[C@]21[C@@H]5C[C@@H]43	238765036	PGSRCUNPDYTDKP-OTCOBQMVSA-N	384.476	2.133	0	1	GEAF	
C/C=C(\C)C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@H](C)CO	299875979	DVZGHGCCBKFRTA-HYJMGGKXSA-N	388.508	2.069	0	1	GEAF	
COc1cc2nc(CCC(=O)Nc3nnc(-c4ccncc4)s3)[nH]c2cn1	587024167	OVYJYDBDLQYANU-UHFFFAOYSA-N	381.421	2.451	0	1	GEAF	
CC[C@H](C)n1ncc(I)c1-c1nc2c(O)nncc2[nH]1	587180268	GAXQPRJGYUNSAO-LURJTMIESA-N	384.181	2.498	0	1	GEAF	
CC(C)[C@H](NS(=O)(=O)c1ccc(-c2ccc(F)nc2)cc1)P(=O)(O)O	653716048	XMXCQGFKYDSJLX-OAHLLOKOSA-N	388.357	2.326	0	1	GEAF	
NS(=O)(=O)c1ccc(CCn2c(S)nc3c(Cl)cccc3c2=O)cc1	653834537	KVZTWQJIXGPMFV-UHFFFAOYSA-N	395.893	2.229	0	1	GEAF	
CCOC(=O)c1cnn(-c2ncnc3sc(C(=O)OCC)c(C)c23)c1N	958066028	YLHRBWGRAMIONQ-UHFFFAOYSA-N	375.410	2.121	0	1	GEAF	
Cc1cccc(OCC2(CNCc3ccc(F)c(F)c3)C[C@H](O)[C@@H](O)C2)n1	2356301671	SZHAKTJDOFHRKO-ROUUACIJSA-N	378.419	2.339	0	1	GEAF	
COc1cc(Cc2cnc(N)nc2N)cc(OCCCCCC(=O)O)c1OC	34801942	AZYWPDSAUZNMBA-UHFFFAOYSA-N	390.440	2.273	0	1	GEAF	
CCCN(C)C(=O)c1cc(-c2n[nH]c(=O)n2-c2ccccc2C)c(O)cc1O	43197274	REAMUQCORPPCDK-UHFFFAOYSA-N	382.420	2.429	0	1	GEAF	
O=C(O)[C@@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)Nc1ccc(I)cc1	64526463	TUKQFVICRZFMTD-WRWGMCAJSA-N	387.173	2.108	0	1	GEAF	
O=C([C@H]1C[C@@H](Oc2ccc(F)cc2)CN1)N1CCCN(C2CCCC2)CC1	72179780	NMGQVIBOWRVISE-WOJBJXKFSA-N	375.488	2.412	0	1	GEAF	
O=C(NCC[C@H]1CC[C@@H](NC(=O)C2CC2)[C@@H](CO)O1)Nc1ccc(Cl)cc1	95904454	GLBDSUNETLJFTE-BRWVUGGUSA-N	395.887	2.286	0	1	GEAF	
Cn1cnc2cc(-c3ccc(C(C)(C)O)nc3)nc(NC3CCOCC3)c2c1=O	115624778	IYNBOTVHILAFOL-UHFFFAOYSA-N	395.463	2.209	0	1	GEAF	
COC[C@H]1CC[C@H](N2CCC(N3Cc4cccc(C(N)=O)c4C3=O)CC2)CC1	141261697	HTKJTEKPUISRBJ-WOVMCDHWSA-N	385.508	2.411	0	1	GEAF	
O=C(NC[C@@H]1CCCO1)c1ccc(NC(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)O)cc1	169299132	BHCOCGLYBMEHSY-QJESEZNXSA-N	384.432	2.057	0	1	GEAF	
CC(C)NC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)cn(C)c3=O)nc12	169704289	GSRZAXNWBZUUOT-MRXNPFEDSA-N	398.442	2.047	0	1	GEAF	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCN(C(=O)C(F)(F)F)/C1=C\N(C)C)O2	587381390	HWPYSHAMOQZSSH-CRPZLVSXSA-N	383.370	2.479	0	1	GEAF	
C[C@@H]1OC=C(C(=O)O)[C@@H]2C[C@@H]3c4[nH]c5ccc(O)cc5c4C[C@@H](C(=O)O)N3C[C@@H]12	2356408192	XCHQOAXKIOZNDD-PDWHGBALSA-N	398.415	2.249	0	1	GEAF	
C[C@@H]1OC(c2ccccc2O)=N[C@@H]1C1=NC[C@H](C2=N[C@@H](C(=O)O)CS2)S1	2356795693	MJFSVXKNKROZMR-PMEZXALUSA-N	391.474	2.039	0	1	GEAF	
C[C@H](NC(=O)c1[nH]cnc1C(=O)N[C@@H](C)c1ccccc1)C(=O)OC(C)(C)C	15953056	CCSWDIGVNQVIAF-STQMWFEESA-N	386.452	2.361	0	3	GEAF	
CCOC(=O)[C@@H]1[C@@H](NC(N)=O)N(Cc2ccccc2)C(=O)N1Cc1ccccc1	1625722	QUAHIQSUJSPESD-ROUUACIJSA-N	396.447	2.051	0	1	GEAF	
CCN1CCC[C@@H]1CN(Cc1ccc(CO)o1)CC1CCN(CCOC)CC1	20995153	NYKLUVCTADBIJB-HXUWFJFHSA-N	393.572	2.417	0	1	GEAF	
CNCc1cn(S(=O)(=O)c2cccc(F)n2)c(-c2cccnc2F)c1F	116579471	WEZDYOTXPBPXAM-UHFFFAOYSA-N	382.367	2.319	0	1	GEAF	
COc1ccc([C@H]2NN=C(c3cc(OC)c(OC)c(OC)c3)[C@H]2O)cc1OC	28457070	DODNQFWFPSVSHU-MJGOQNOKSA-N	388.420	2.139	0	1	GEAF	
COC(=O)COc1ccc(OC[C@H](C)NC[C@H](O)COc2ccccc2)cc1	29468611	JEELBBUJXGIBEN-IRXDYDNUSA-N	389.448	2.035	0	1	GEAF	
CC(C)(C)C(=O)N1CC[C@@H](CC(=O)O)[C@H](CCN2CCC(C(=O)O)CC2)C1	2356851701	QITHQAWJSYCRMU-JKSUJKDBSA-N	382.501	2.159	0	1	GEAF	
COc1cc(CNCCNC(=O)C2=CC(C)(C)NC2(C)C)cc(OC)c1OC	40641282	MFCOKDWKJKPGHO-UHFFFAOYSA-N	391.512	2.005	0	1	GEAF	
NC(=O)c1cccc2c1OC[C@@H](c1nc3ccc(-c4ccnc(N)n4)cc3[nH]1)C2	49066900	SYVSWXTTWVAEAH-ZDUSSCGKSA-N	386.415	2.420	0	1	GEAF	
CC(=O)N1CCC[C@@H](c2cccnc2OC2CN(C(=O)c3ccccn3)C2)C1	96168877	IMCPBYGSIMARFY-MRXNPFEDSA-N	380.448	2.106	0	1	GEAF	
O=C(CC1CC1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4cccnc4)cc3)[C@H]2C1	95869592	DGHPVEHYJCHVCF-VIZSFHNOSA-N	391.471	2.046	0	1	GEAF	
Cc1c(I)cnn1[C@@H](C)c1nc2cccc(C(N)=O)c2[nH]1	587181784	CUQIVTXDTFBERM-QMMMGPOBSA-N	395.204	2.381	0	1	GEAF	
CCCS(=O)(=O)N1CCC(c2nc3ccc(OCCN(C)C)cc3[nH]2)CC1	586951982	FPOVBLHEHYJBDD-UHFFFAOYSA-N	394.541	2.423	0	1	GEAF	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CN1C(=O)c3ccccc3S1(=O)=O)O2	587408742	DEZNXDPWYYOVGX-IBGZPJMESA-N	386.429	2.146	0	1	GEAF	
Cc1nc(NS(C)(=O)=O)sc1-c1nc2cnc(C(F)(F)F)[nH]c-2n1	586950716	BFTNSCVFUGWUOW-UHFFFAOYSA-N	378.361	2.127	0	1	GEAF	
CN(Cc1nc2ccc(Br)c(O)c2[nH]1)S(=O)(=O)c1cccnc1	586929545	XPBLLDGYQMLICT-UHFFFAOYSA-N	397.254	2.247	0	1	GEAF	
COc1c(N2C[C@H](C)N[C@H](C)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12	5929711	PDLYJBPWYAMEFJ-PHIMTYICSA-N	389.427	2.369	0	1	GEAF	
O=C(NCc1ccc(F)cc1)[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3)C[C@]23C=C[C@H]1O3	4576234	JHYKCQQQKZVQMB-VLVHOKLOSA-N	392.430	2.424	0	1	GEAF	
CO[C@@H]1C=CC=C2Cc3c(Cl)c(O)cc(O)c3C(=O)O[C@H](C)C[C@@H](O)[C@H]1O2	1911582223	PFCDNPXDJULMLA-POFSUORWSA-N	396.823	2.458	0	1	GEAF	
S=C(NCCC1=N[C@H]2C=CC=C[C@@H]2N1)Nc1ccc(Br)cn1	27426685	KUNGOWDLUVFODX-RYUDHWBXSA-N	378.299	2.386	0	1	GEAF	
CC(=O)Nc1ccc2c(c1)nc1n2[C@H](CNC(=O)COc2ccccc2)COC1	2356561484	FPSUDEAURYUBHM-MRXNPFEDSA-N	394.431	2.261	0	1	GEAF	
Cc1cccc(S(=O)(=O)NC(=O)[C@@]2(C)CCN2C(=O)c2cccc(F)c2)c1	61903952	MQKKETQKKQLDDO-LJQANCHMSA-N	390.436	2.244	0	3	GEAF	
O=C(O)CCN1CCN(Cc2cccc(Oc3ccccc3)c2)S1(=O)=O	72127833	ZAHFXVCCXWMOAQ-UHFFFAOYSA-N	376.434	2.316	0	1	GEAF	
Cc1cncc(-c2cc3c(cn2)cnn3-c2cccc([C@]3(O)CCCNC3)n2)n1	211027338	QSZOWBXCZPNMQY-NRFANRHFSA-N	387.447	2.152	0	1	GEAF	
CCN(C)C(=O)c1cnc(N2CCN(C(C)=O)CC2)nc1-c1ccc(F)cc1	82141564	BVIWYFFOQUCFGI-UHFFFAOYSA-N	385.443	2.043	0	1	GEAF	
COC(=O)[C@@H]1C[C@@]23C4=C(CC[C@@H]5CN6C[C@@H](C)[C@@H](CC[C@@]52CO)[C@]63O)CC[C@@H]41	238742045	GZPYJGXSOJGYKK-SNZIKGKMSA-N	387.520	2.325	0	1	GEAF	
CCOC(=O)C(=O)N(Cc1ccccc1)c1ccc2c(c1)O[C@@](C)(CO)CN2C	95565911	LRNPRVCTQIIDHJ-JOCHJYFZSA-N	398.459	2.363	0	1	GEAF	
CCOC(=O)[C@@H]1CCNC(=O)[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12	587799810	YVMQCPFGBIQERJ-LTHLMHMASA-N	399.260	2.017	0	1	GEAF	
COc1ccc(S(=O)(=O)N[C@H](c2nc3ccnc(Cl)c3[nH]2)[C@@H](C)O)cc1	586939498	UZVMOHRCMRESLZ-RNCFNFMXSA-N	396.856	2.020	0	1	GEAF	
NC(=O)[C@@H]1Nc2ccccc2[C@@]2(NCCc3c(Cl)cc(Cl)cc32)C1=O	963106329	KVJGKLXSZSGVKB-QAPCUYQASA-N	376.243	2.231	0	1	GEAF	
C[C@@H]1CN(Cc2ccccc2)C[C@@H]1c1nc(=O)c2cnc(C3=CCOCC3)n2[nH]1	205431464	KZOJNVNGLJDSCN-QAPCUYQASA-N	391.475	2.457	0	1	GEAF	
O=C([C@H]1CCCO1)N1CCN(C[C@@H](NCc2ccccn2)c2ccccc2)CC1	116235205	PSFYBZOFVANRRZ-FGZHOGPDSA-N	394.519	2.236	0	1	GEAF	
Cc1c(C(=O)NC[C@@H]2CCCO2)oc2ccc(S(=O)(=O)N3CCCC3)cc12	2459990	DWPVQALXASBPSW-AWEZNQCLSA-N	392.477	2.435	0	3	GEAF	
C[C@H](C(=O)N[C@@H]1[C@H]2CC3C[C@@H]1C[C@@](O)(C3)C2)N1CC(Oc2ccccc2F)C1	101064684	XNSQYEZFDGACIR-WARAJTILSA-N	388.483	2.333	0	1	GEAF	
COC(=O)c1c2ccoc3c-2c2c1[C@@]1(O)C[C@H]4N(C[C@H](C)C1=O)C[C@@H](CC3)[C@@]24C	2356407369	BXJHWSRWRXDUSI-OLBMXFAKSA-N	395.455	2.485	0	1	GEAF	
COc1cc2nc(N3CCC(OC[C@@H](C)OC)CC3)nc(N)c2cc1OC	27562318	TYZQTLVLJVDBCB-GFCCVEGCSA-N	376.457	2.250	0	1	GEAF	
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN[C@@H](C(F)F)C3)c(F)c21	29234070	HPXOCCUJZFFMED-LLVKDONJSA-N	387.333	2.041	0	1	GEAF	
COc1ccc(CN2C(=O)CO[C@@H]3CN(Cc4ccc(C(=O)O)cc4)C[C@@H]32)cc1	2356564558	SYJFGLICDHZGHQ-VQTJNVASSA-N	396.443	2.005	0	1	GEAF	
COc1cc2nc(N(C)CCCN(C)C(=O)c3ccco3)nc(N)c2cc1OC	26569557	CUKPLLPUFYMNMP-UHFFFAOYSA-N	399.451	2.421	0	1	GEAF	
C1=CC(c2noc([C@H]3CCCN3Cc3ccncc3)n2)=CN[C]1N1CCOCC1	2356830907	BBVQLEVAXXIIAB-GOSISDBHSA-N	393.471	2.124	0	1	GEAF	
c1ccc(CN[C@@H]2CO[C@@H]3[C@H](Nc4nccc(-c5ccco5)n4)CO[C@H]23)cc1	2356846772	OQMFJLOMERMOED-HNBVOPMISA-N	378.432	2.473	0	1	GEAF	
CCc1ccc(Cc2cc([C@@H]3C[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2OC)cc1	38252910	ZKRZVLWZACQQOF-FUOIXIIKSA-N	386.488	2.027	0	1	GEAF	
Nc1ccc(C[C@H](C(=O)O)c2cn([C@H]3CCN(c4ccccc4)C3=O)cn2)cn1	137971967	PZVHBTKXUXKQNV-WMZOPIPTSA-N	391.431	2.249	0	1	GEAF	
O=C(NCCN1CCCC1)c1cc(Cc2nnc(O)c3c2NCCC3)ccc1F	84689259	YZIDOKPBNXLIHZ-UHFFFAOYSA-N	399.470	2.096	0	1	GEAF	
COc1ccc2c3c(n(C)c2c1)[C@@H](CO)NCC31CCN(C(=O)CC2CC2)CC1	95661935	UTZRBQYTIMLUEN-GOSISDBHSA-N	397.519	2.484	0	1	GEAF	
Cc1cccc(CN2C[C@H]3[C@@H](C(=O)NCC(C)C)CCS(=O)(=O)[C@H]3C2)c1	299841968	GKRVLXGCPOEMDU-FHWLQOOXSA-N	378.538	2.002	0	1	GEAF	
NC(=O)c1cccc2nc(-c3cc(S(=O)(=O)N4CCC4)ccc3Cl)[nH]c12	586955967	XKGZKZHKWINZGH-UHFFFAOYSA-N	390.852	2.377	0	1	GEAF	
Cc1cc(Br)c2[nH]c([C@H](C)NS(=O)(=O)c3cnn(C)c3)nc2c1	586940254	YEGOSAJZYVQBFG-VIFPVBQESA-N	398.286	2.407	0	1	GEAF	
CCCCCN1CCN(C[C@](O)(Cn2cncn2)c2ccc(F)cc2F)CC1	1772597611	WHIHIIXTOXGOEM-FQEVSTJZSA-N	393.482	2.252	0	1	GEAF	
CN1C=CC([C@H]2OC(C(F)(F)F)=CN2c2ccc(S(N)(=O)=O)cc2)C=C1	1772658130	UVTRMYKFOQILHR-OAHLLOKOSA-N	387.383	2.489	0	1	GEAF	
O=C1c2c(nc3ccccn23)N=C(c2ccc(Br)cc2)N[C@H]1CO	1772635082	ODQJMCPHYDFMQR-LBPRGKRZSA-N	385.221	2.322	0	1	GEAF	
O=C(C(=O)N1Cc2ncn(Cc3ccccc3)c2C[C@H]1C(=O)O)c1ccccc1	13446642	XOIILBGNGCQRNF-IBGZPJMESA-N	389.411	2.152	0	1	GEAF	
O=C(CN1CCC(N2CCCC2)CC1)N1CCc2nc(O)c3ccccc3c2C1	13536350	DXYOJGMUYNMHOR-UHFFFAOYSA-N	394.519	2.385	0	1	GEAF	
COc1ccc(CCN2C=N[C@H]3C(=O)NC(Cc4ccccc4)=N[C@H]32)cc1OC	1857562715	GULAXBNPPVABLG-RTWAWAEBSA-N	392.459	2.056	0	1	GEAF	
N=c1cc(-c2ccc(N3C[C@H](CNC(=O)C(F)(F)F)OC3=O)cc2F)cc[nH]1	1857754786	LMZWQXKQCMQBRY-NSHDSACASA-N	398.316	2.304	0	1	GEAF	
COC(=O)[C@@]1(c2ccc(OC)cc2)C[C@@H]1CN1CCN(c2ccccn2)CC1	28604335	WNFYENWICXMXHB-XMSQKQJNSA-N	381.476	2.343	0	1	GEAF	
NC1=NC(=S)N=C(N)C1[C@@H](CC(=O)c1ccccc1)C(=O)c1ccccc1	53119652	IORCRDZGUGNKNG-CQSZACIVSA-N	378.457	2.388	0	1	GEAF	
NC[C@@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ncnc3[nH]ccc23)CC1	64539979	IYQSFRNHWXBIKV-OAHLLOKOSA-N	398.898	2.078	0	1	GEAF	
CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)O)O[C@@H]1CO2	95888587	AQKQROKSGQSFNM-FRFSOERESA-N	390.436	2.281	0	1	GEAF	
COc1cc(Nc2ncc(C(C)(C)O)cc2-c2nc(C)nc(N)n2)cnc1OC	113239122	BGEXTJGOTZMOEE-UHFFFAOYSA-N	397.439	2.207	0	1	GEAF	
Cc1n[nH]c(N)c1-c1nc2ccc(S(=O)(=O)NCC(F)(F)F)cc2s1	114400208	WNAMZFOXKDMWAL-UHFFFAOYSA-N	391.400	2.418	0	1	GEAF	
CN(C)CCc1cc2c(cc1C(=O)[C@H]1OC(=O)c3c1ccc1c3OCO1)OCO2	154865500	IGJQMOASTPRCEK-IBGZPJMESA-N	397.383	2.343	0	1	GEAF	
C[C@@H]1O[C@@H](O[C@H](C)CCCCCCCC[C@@H](O)CC(=O)O)[C@H](O)C[C@H]1O	219958371	ARJGFPSUJRWUSF-CQQDWVGSSA-N	376.490	2.205	0	1	GEAF	in-vitro
COC(=O)c1ccc(Oc2ccc3nc([C@@H](N)CP(=O)(O)O)[nH]c3c2)cc1	586923316	QRJCAVYDYYYOAL-ZDUSSCGKSA-N	391.320	2.319	0	1	GEAF	
NC(=O)c1ccc2nc(CCC(=O)Nc3nnc(-c4ccncc4)s3)[nH]c2c1	587024364	XJAVGDWRWDCZCC-UHFFFAOYSA-N	393.432	2.147	0	1	GEAF	
N[C@@H](N=O)c1ccc2nc(-c3nccnc3I)[nH]c2c1	587186701	PLQXOFVOZJSWJP-NSHDSACASA-N	380.149	2.348	0	1	GEAF	
Nc1c([C@H]2NCCc3ccc(O)cc32)c(O)nc(=O)n1-c1ccc(Cl)cc1	963353060	PJNNUKKYPUDZNT-INIZCTEOSA-N	384.823	2.114	0	1	GEAF	
O=C(C1CCN(c2cnccc2-n2cc(Cl)cn2)CC1)N1[C@H]2COC[C@H]1C2	1857607177	HEVOACCNVHCITE-HZPDHXFCSA-N	387.871	2.137	0	1	GEAF	
CC(=O)O[C@]1(C)CC[C@H](C(C)C)[C@H]2[C@H]1[C@@H]1C[C@](C)(O)[C@H](O)CC[C@@](C)(O)[C@@H]2O1	2356383388	LGVNICNVBLDNFV-COZVTJBUSA-N	398.540	2.421	0	1	GEAF	
CCCCO[C@@H]1C[C@H](C(=O)N[C@@H]2CCCC[C@@H]2O)N(C(=O)c2ccco2)C1	4547581	QPCJRTYAFRCPPY-VQHPVUNQSA-N	378.469	2.099	0	1	GEAF	
CC(=O)N(C(C)=O)c1ccc(CNC(=O)c2cnc3nc(C)ccc3c2O)cc1	28526598	UINJTCGTOJIYTL-UHFFFAOYSA-N	392.415	2.473	0	1	GEAF	
COCC(=O)[C@@]1(O)CC[C@]2(O)[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C	2356652975	WFPWYFYZMVDBSM-QCQQLPRJSA-N	378.509	2.372	0	1	GEAF	
COc1cc([C@@H](O)[C@@H]2CO[C@H](c3ccc(O)c(OC)c3)[C@H]2CO)ccc1O	35464163	MWQRAOGWLXTMIC-TUGJPZLJSA-N	376.405	2.145	0	1	GEAF	in-vitro
CN1CCN(CCOc2cc(O)c3c(=O)c(-c4ccc(O)cc4)coc3c2)CC1	40973882	FAKNZEFUNQUEIX-UHFFFAOYSA-N	396.443	2.497	0	1	GEAF	
N=C(N)c1ccc([C@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3[C@H]3CCCN32)cc1	141166731	QKVYJJDWLBNNSF-WTGUMLROSA-N	388.471	2.291	0	1	GEAF	
CN1CCC[C@@H](CN=c2[nH]c(Nc3cccc(-n4ccnn4)c3)ncc2F)C1	473135648	QQBZNBALCLNTHQ-AWEZNQCLSA-N	382.447	2.116	0	1	GEAF	
C[C@H]1C[C@H]2CSC(=N)N[C@@]2(c2nc(NC(=O)c3ccon3)cs2)CO1	1772648147	OFIOBUSIAWOIEX-UTEYVOQOSA-N	379.467	2.275	0	1	GEAF	
O=C(NCc1ncccc1F)c1coc(CCNCc2nc3ccccc3[nH]2)n1	1857577731	HWGQXMFEOIHQOE-UHFFFAOYSA-N	394.410	2.347	0	1	GEAF	
COc1cccc(OC)c1OCCNC[C@@H]1C[S@](=O)c2ccccc2O1	26384750	MGSNEVZKZMAVOH-IYJVBRSBSA-N	377.462	2.241	0	1	GEAF	
CNCc1cn(S(=O)(=O)c2ccc(F)cn2)c(-c2cccnc2F)c1F	117250163	SZHCRAOKPIJLCZ-UHFFFAOYSA-N	382.367	2.319	0	1	GEAF	
Nc1ncc(-c2ccc(C3(c4noc(-c5ccc[nH]c5=O)n4)CCC3)cn2)cn1	114767963	QLRFZDMVICKFFV-UHFFFAOYSA-N	387.403	2.329	0	1	GEAF	
COCCNCCc1ccc(-c2cc3ncn(C)c(=O)c3c(NC3CC3)n2)cc1	115624290	CNAVUPIXXMBOGM-UHFFFAOYSA-N	393.491	2.348	0	1	GEAF	
Nc1nc(CC(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cs1	49071079	OGIIQRCJSHVATM-SFHVURJKSA-N	397.504	2.167	0	1	GEAF	
CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nn(C)c(=O)n(C)c1=O	587858991	FLESUYICCJJWNI-UHFFFAOYSA-N	396.234	2.037	0	1	GEAF	
Cc1cc(-c2cnn(C)c2)cc([C@H]2CCN(C(=O)c3cc(N(C)C)n[nH]3)C2)n1	1772614284	PLNMMISHXAKOKM-AWEZNQCLSA-N	379.468	2.209	0	1	GEAF	
NC(=O)CCn1c(C(=O)c2cc(Cl)c(N)c(Cl)c2)c2ccccc2[n+]1[O-]	15934848	BIOBWLQASQCWSC-UHFFFAOYSA-N	393.230	2.270	0	3	GEAF	
CCc1cc(O)c(F)cc1-c1cc(NS(=O)(=O)CCO)c2c[nH]nc2c1	1857595375	XARCKHCGAXMSRJ-UHFFFAOYSA-N	379.413	2.371	0	1	GEAF	
CN1CCC(c2cn(C)c3cc(C(=O)NS(=O)(=O)C4CC4)ccc23)CC1	1857610642	VCWBXUVWZOTQHS-UHFFFAOYSA-N	375.494	2.210	0	1	GEAF	
O=C1CCN(c2nc(N=c3cc(C4CC4)[nH][nH]3)c3cc(Cl)ccc3n2)CCN1	1857630620	CHUCVUSICYWNDY-UHFFFAOYSA-N	397.870	2.376	0	1	GEAF	
COCC(=O)N[C@@H]1[C@@H](c2cccs2)N(C(=O)c2ccccc2)CC[C@@]1(C)O	2356317920	ANMPKRCINWTSOT-QWFCFKBJSA-N	388.489	2.218	0	1	GEAF	
CC(=O)N1CCC2(CC1)CC(=O)c1cc(OCC(=O)N3CCCC3)ccc1O2	2464920	ILPYDRYQVFTKGJ-UHFFFAOYSA-N	386.448	2.034	0	3	GEAF	
O[C@@H]1[C@H](NCCCc2ccccc2)[C@H]2CO[C@@H](O2)[C@H]1n1cnc2ccccc21	2356296305	LETHGYBXWPNUDZ-BDHVOXNPSA-N	379.460	2.284	0	1	GEAF	
C[C@H]1CN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C[C@@H]1CN	28386715	MHZSKKXOLCASLP-UWVGGRQHSA-N	377.391	2.344	0	1	GEAF	
COC(=O)[C@@]12C[C@H]3CN(CCc4c1[nH]c1ccc(OC)cc41)[C@H]2C[C@@H]3C(C)=O	2356597694	RGZDEBNWMNAFIP-WHHWWRKDSA-N	382.460	2.443	0	1	GEAF	
Cn1c(=O)c(C2=C[C@@H](C=Cc3ccccc3)NNC(=O)N2)c(O)c2ccccc21	2356869202	XJHFWMFTRFOTDN-OAHLLOKOSA-N	388.427	2.484	0	1	GEAF	
CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOCC4)n2)OCCC3)cc1	71318264	OTPLYFHAWCDSOK-UHFFFAOYSA-N	383.452	2.447	0	1	GEAF	
C[C@@]1(c2nc(NC(=O)c3ccc(Cl)cn3)ccc2F)N=C(N)O[C@H]2C[C@H]21	226072043	LAQCETLNRQMRPC-CIBPLQMKSA-N	375.791	2.470	0	1	GEAF	
O=C1C=C2C[C@H](N3CCN(c4ccccc4)CC3)[C@@H]3C[C@@]2(O1)[C@H]1CCCCN31	82051984	LPCWQKMWLDQQET-QXUYBEEESA-N	379.504	2.430	0	1	GEAF	
O=C(c1cccnc1)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2C(=O)C1CCC1	95794191	SUBNAZNMSQVXDD-VQTJNVASSA-N	391.471	2.063	0	1	GEAF	
COCc1ccccc1NS(=O)(=O)c1ccc(OC)c(N2CCNCC2)c1	95575406	ZTMYJYSKGFWVSV-UHFFFAOYSA-N	391.493	2.052	0	1	GEAF	
O=C(c1ccncc1)N1CC2(C1)[C@@H](c1ccccc1)[C@H](CO)N2C(=O)CC1CC1	95794022	JHGBJZJGBUIJRW-FPOVZHCZSA-N	391.471	2.063	0	1	GEAF	
CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H]1CCCN1S(C)(=O)=O	587873426	ZDHCCSKOXSDVMY-OAHLLOKOSA-N	381.429	2.152	0	1	GEAF	
CNS(=O)(=O)c1ccc(CCc2nc3cc4c(cc3[nH]2)NC(=O)CC4)cc1	586947100	SHTROOHARLKACH-UHFFFAOYSA-N	384.461	2.141	0	1	GEAF	
Cc1ccc(CN(C(=O)C[C@@H]2C(=O)N[C@@H](c3ccccn3)N[C@@H]2C)C2CC2)o1	209050951	REYIQNXYHDRVNV-LIVBEALHSA-N	382.464	2.287	0	1	GEAF	
Cc1ccc(-n2nc(COc3ccc(F)c(C(N)=O)c3F)oc2=O)c(C)c1	1857597140	DLBMAWIURWTMAJ-UHFFFAOYSA-N	375.331	2.398	0	1	GEAF	
N[C@@H](CCc1ccccc1)[P@](=O)(O)C[C@@H](Nc1ccc(CO)cc1)C(=O)O	58669429	LEMGWCKUERHQMH-QZTJIDSGSA-N	392.392	2.232	0	1	GEAF	
Nc1nccc(-c2ccc3nc([C@@H]4CNC[C@H]4c4ccccc4)[nH]c(=O)c3c2)n1	95589966	PUSXOXAIZFRKOX-DLBZAZTESA-N	384.443	2.433	0	1	GEAF	
O=C(C1CCCC1)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2Cc1cncnc1	95798489	JNVDFCJTYQMKEH-LEWJYISDSA-N	392.503	2.208	0	1	GEAF	
CC(C)C[C@@H]1NC(=O)[C@@H](S(=O)(=O)Cc2cccc(C(F)(F)F)c2)C1=O	96142703	JQLKDJXBTFQKGM-JSGCOSHPSA-N	377.384	2.102	0	1	GEAF	
O=c1[nH]c(=O)n(OCCO)c(Sc2ccccc2)c1/C=C/c1ccccc1	98083242	XKTQNMWMPSIZTO-VAWYXSNFSA-N	382.441	2.279	0	1	GEAF	
NC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCN(c2ncnc(N)c2F)CC1	219038907	IRHPCOFQAKQMKZ-ZDUSSCGKSA-N	384.381	2.039	0	1	GEAF	
COc1ccc(S(=O)(=O)N[C@@H](c2nc3cc(C)cc(F)c3[nH]2)[C@@H](C)O)cc1	586937113	KOKOVGHGDNFQCJ-BDJLRTHQSA-N	393.440	2.419	0	1	GEAF	
C[C@]1(CO)CN(Cc2ccccc2)C[C@@H]2CN(C(=O)c3ccc(F)cc3)CCN21	2356303520	XLRQKNVCHODDSR-FYYLOGMGSA-N	397.494	2.219	0	1	GEAF	
COc1ccc([C@@H](O)[C@H](CO)Oc2ccc(C=CCO)cc2OC)cc1OC	2356639136	GAYRERFQJBZHBH-LEWJYISDSA-N	390.432	2.191	0	1	GEAF	
C[C@@H](NC(=O)OCc1ccccc1)[P@](=O)(O)C[C@@H](CCC(=O)O)C(=O)O	25109954	PBRHWMMNEISHGS-WCQYABFASA-N	387.325	2.095	0	1	GEAF	
CC1(C)Oc2cc(O)ccc2[C@H]2C1=CCn1c(=O)n(-c3ccc(F)cc3)c(=O)n12	72107082	ZFDIKBZOHWEAAK-SFHVURJKSA-N	395.390	2.346	0	1	GEAF	
COc1ccccc1CN1Cc2cc(OC)c(OS(N)(=O)=O)cc2C[C@H]1C	84726539	FPCJLRWQQOFPIG-CYBMUJFWSA-N	392.477	2.233	0	1	GEAF	
CCC(=O)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(-c3ccccc3F)cc1)[C@@H]2CO	95866952	HSZXWGUUBZPEQX-DXIQSLLYSA-N	382.435	2.400	0	1	GEAF	
O=C(Cn1cccn1)Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3cccnc3)N2)cc1	103252135	RJWXWUDJWASGPX-TUNNFDKTSA-N	391.475	2.314	0	1	GEAF	
O=C(Cc1cccc2cccnc12)NC[C@H](O)CN1CCc2ccccc2C1	159283489	OUZSVAKQLPQURN-NRFANRHFSA-N	375.472	2.313	0	1	GEAF	
O=C(N[C@H](CO)CC1CCC1)c1cnc(N2CC(F)(F)C2)c(OCC2CC2)n1	207415695	DLCAJJUINMVOAT-AWEZNQCLSA-N	396.438	2.002	0	1	GEAF	
Cc1cncc(-c2cc3c(cn2)cnn3-c2cccc([C@@]3(O)CCCNC3)n2)n1	211027369	QSZOWBXCZPNMQY-OAQYLSRUSA-N	387.447	2.152	0	1	GEAF	
COC(=O)[C@@H]1C[C@@]23CCCN4CC[C@@]5(c6cccc(OC)c6N[C@]15CC2)[C@@]43O	238744481	WSGUCCCLBAHHRU-FLHBCWHISA-N	384.476	2.259	0	1	GEAF	
Nc1ccnc2[nH]c(CCN3C(=O)COc4cc(Br)ccc43)nc12	587002724	MYNQTCUSJNLYSN-UHFFFAOYSA-N	388.225	2.271	0	1	GEAF	
COc1ccc(CN[C@@H]2C[C@H](O)[C@@H](CO)[C@H]2Cc2ccnc(C3CC3)n2)cc1	2356288527	GCNJZQSQRMQYRO-MHTWAQMVSA-N	383.492	2.053	0	1	GEAF	
CC(=O)N1CCCN(C(=O)c2onc(-c3ccc(F)cc3)c2[C@@H](C)O)CC1	2356309192	KMTXFAYGRPYSOG-GFCCVEGCSA-N	375.400	2.228	0	1	GEAF	
O=C(Cn1cc2c(n1)CCCC2)NCCCN1CCN(Cc2ccccc2)CC1	20415879	GQMSRLHZYRKZQC-UHFFFAOYSA-N	395.551	2.086	0	3	GEAF	
COCCCNC(=O)c1cnn(-c2ccc(F)cc2F)c1C1CCNCC1	7000403	HJBHKDIMVVMALQ-UHFFFAOYSA-N	378.423	2.384	0	1	GEAF	
O=C(NN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@@H]2C1=O)[C@@H]1C[C@H]31)c1cccc(Br)c1	13635262	IYWDNVOMIGEONH-DEPYFDJDSA-N	387.233	2.147	0	1	GEAF	
Cc1occc1C(=O)Nc1cnn(CC(=O)N(C)C[C@@H](O)c2ccccc2)c1	14881474	CVDYSZJTERICOT-GOSISDBHSA-N	382.420	2.229	0	1	GEAF	
COCC(=O)N1CC[C@@H]2NC(=O)N(c3ccc(Oc4ccccc4)cc3)C(=O)[C@@H]21	25425541	ALEBGXFKMRAJDO-PKOBYXMFSA-N	395.415	2.151	0	1	GEAF	biogenic
O=C(O)Cc1ccc2c(c1)C[C@@H](CNS(=O)(=O)c1ccc(Cl)cc1)O2	27331149	CHYQHAXYRFWVMT-AWEZNQCLSA-N	381.837	2.249	0	1	GEAF	
COc1c(N2CC[C@](C)(CN)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12	38896704	SCTCRZQETAVKDR-HXUWFJFHSA-N	389.427	2.357	0	1	GEAF	
O=CN(O)C[C@@H](CC1CCCC1)C(=O)N1CCCN1C(=O)c1ccc(F)cc1	72174939	DDDUQDGFSIHOLN-QGZVFWFLSA-N	391.443	2.459	0	1	GEAF	
CCCCn1nc(C(=O)N2CCOCC2)c2c1-c1ccccc1S(=O)(=O)C2	112931783	LMFDSWCIMMUPRR-UHFFFAOYSA-N	389.477	2.110	0	1	GEAF	
CN(c1ncnc2[nH]ccc12)[C@H]1CC[C@H](CS(=O)(=O)N2CCSC2)CC1	117615814	FMXDXGMFDSLVIS-OKILXGFUSA-N	395.554	2.289	0	1	GEAF	
CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCc1nn[nH]n1	165073711	AOWHTVYCPZKGPH-YNNPMVKQSA-N	378.517	2.324	0	1	GEAF	
CN1C(=O)c2ccccc2[S@](=O)c2ccc(C(=O)NCCN3CCCC3)cc21	169309907	PYVFEIJTIUOBFF-NDEPHWFRSA-N	397.500	2.269	0	1	GEAF	
COC(=O)[C@@H]1C[C@@]23C4=C(CC[C@@H]5CN6C[C@@H](C)[C@H](C=C[C@@]52CO)[C@]63O)CC[C@@H]41	169363858	KJJSHRRLRCGALL-OILOYTHHSA-N	385.504	2.101	0	1	GEAF	
COCCNC(=O)c1cnn2ccc(N3CCC[C@H]3c3cc(F)cnc3C)nc12	169704259	DGAFCFQIMXJUDW-KRWDZBQOSA-N	398.442	2.290	0	1	GEAF	
O=c1c2cccn2nc([C@@H]2CCCN2c2ncnc3nc[nH]c23)n1-c1ccccc1	205600748	SROFVJBCNYOZIX-HNNXBMFYSA-N	398.430	2.493	0	1	GEAF	
COc1ccc(S(=O)(=O)N[C@@H](c2nc3cc(Cl)cnc3[nH]2)[C@@H](C)O)cc1	586938840	RMSMXPUTVFJJOB-YMTOWFKASA-N	396.856	2.020	0	1	GEAF	
CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2cccc(S(N)(=O)=O)c2[nH]1	587232720	ABEYIQHYUHROOV-WDEREUQCSA-N	380.470	2.371	0	1	GEAF	
Nc1ncc(-c2cc(N3CCC3)nc(N3CC[C@H](F)C3)n2)cc1OC(F)F	653666594	VRUKRUKFGCHIMX-NSHDSACASA-N	380.374	2.481	0	1	GEAF	
Nc1n[nH]cc1[C@@]1(c2cccs2)N[C@@H](C(=O)O)Cc2c1cnc1ccccc21	963231897	RWBBQIOQBWMZSH-UZLBHIALSA-N	391.456	2.492	0	1	GEAF	
NS(=O)(=O)NCCC1CCN(c2cc(-c3ccccc3Cl)ncn2)CC1	1772575434	YIEAONCNEPJGEO-UHFFFAOYSA-N	395.916	2.197	0	1	GEAF	
Nc1cccnc1N1CCC(C(=O)Nc2cnc(-n3nccn3)c(Cl)c2)CC1	1857752125	XRLOYXFJBUUMBI-UHFFFAOYSA-N	398.858	2.148	0	1	GEAF	
O=C(NCCCN1CCC[C@H](O)C1)c1cc(COc2ccc(F)cc2F)on1	12455220	REXLIZRHDSHHPH-AWEZNQCLSA-N	395.406	2.108	0	3	GEAF	
COc1cccc2[nH]cc(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)CC3)c12	3591443	YONWOVYXYCIVNL-UHFFFAOYSA-N	391.427	2.344	0	1	GEAF	
CCCOc1cccnc1C(=O)N1C[C@H]2CN(c3nc(C)cc(C)n3)C[C@@H]2C1	116826739	UGSRPYQZXOZSNE-IRXDYDNUSA-N	381.480	2.486	0	1	GEAF	
O=C1OCCN1c1ccc(-c2ccc(N3C[C@H](CO)OC3=O)c(F)c2F)cn1	113775243	HLMKLPMYVDDOLM-LLVKDONJSA-N	391.330	2.301	0	1	GEAF	
Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4ccccc4-c4ncn[nH]4)C[C@H]3C2)n1	116823191	NYDBXNHNMPHNGA-IYBDPMFKSA-N	389.463	2.087	0	1	GEAF	
CN1C[C@@H](c2ccccc2)n2nc(C(=O)NCc3ccc(F)cc3)c(O)c2C1=O	29129213	MFORHLGRNCUKNK-INIZCTEOSA-N	394.406	2.333	0	1	GEAF	
COc1cc2c(cc1OC)[C@](O)(c1ccc3c(c1)OCO3)[C@H](C)[C@@](C)(O)C2=O	2356467848	HFVJPDBHLXAZNH-NPPMIQBUSA-N	386.400	2.252	0	1	GEAF	
COc1cc2c(c(CO)c1O)C[C@H]1c3c(cc4c(c3OC)OCO4)CCN1C2	14587533	GCNUCNXJBYOFTI-HNNXBMFYSA-N	385.416	2.286	0	1	GEAF	biogenic
O=C1[C@@H]2C=C(I)[C@@H](C[C@@H]2OCCCCCCO)[C@]12CO2	40899281	QFMSBBZGQQICDX-UQFNBPPOSA-N	392.233	2.231	0	1	GEAF	
NS(=O)(=O)c1ccc(-c2cn(-c3cccc(Br)c3)nn2)s1	96913511	YNSOFSMLBOWLQR-UHFFFAOYSA-N	385.268	2.406	0	1	GEAF	
O=C(O)c1cn(CC2(c3ccnc(-n4cccn4)c3)CCCC2)cc(O)c1=O	144216528	UTEDQVWBYUEOAF-UHFFFAOYSA-N	380.404	2.345	0	1	GEAF	
O=C(O)[C@@H]1Cc2cc(F)ccc2C2(CCC3(CC2)C(=O)Nc2ncccc23)N1	962898725	FIHRTOWDDWIZPG-ATIQYGATSA-N	381.407	2.479	0	1	GEAF	
C[C@]1(c2cnc3sccn3c2=O)N[C@@H](C(=O)O)Cc2c1cnc1ccccc21	963228221	NZHQCWCNLZKNRU-UZLBHIALSA-N	392.440	2.167	0	1	GEAF	
CN1C(=O)C[C@@H]2CN[C@]3(CC(C)(C)Cc4c3cnc3ncnn43)c3cccc1c32	963014922	BATVHHHNWJNVNH-MCMMXHMISA-N	388.475	2.394	0	1	GEAF	
COc1ccc2c(c1)[C@]1(N[C@@H](N)N(C)C1=O)C1(CCc3ccccc3CC1)C2	1772633545	YGKSFBUXLFXNHW-FYYLOGMGSA-N	377.488	2.316	0	1	GEAF	
CC[C@@H](OC(=O)C[C@@H]1Sc2ccccc2NC1=O)C(=O)NC[C@@H]1CCCO1	13116560	XUAPOUFFFLADCG-BJJXKVORSA-N	392.477	2.107	0	1	GEAF	
N[C@@]1(C(=O)O)[C@H](OCc2cc(Cl)cc(Cl)c2)C[C@@H]2[C@H]1[C@@]2(F)C(=O)O	13582196	DHRMNPAJAIZSGW-ZNLHFFCSSA-N	378.183	2.103	0	1	GEAF	
CONC(=O)c1cc(C(=O)N2CCC(c3cccc(CN)c3)CC2)ccc1O	142257295	FVUBRDNKYNQEOY-UHFFFAOYSA-N	383.448	2.162	0	1	GEAF	
CC[C@@H](C)NC1=NS(=O)(=O)c2cc(I)ccc2N1	13524736	OKGYFBKWGXSILA-SSDOTTSWSA-N	379.223	2.150	0	1	GEAF	
CC(C)[C@H](NC(=O)Cn1c(-c2ccccc2)ccc(N)c1=O)C(=O)C(F)(F)F	13738736	DKUKYMJFBPYFSS-INIZCTEOSA-N	395.381	2.370	0	1	GEAF	
Cc1cn([C@@H]2C=C[C@@H](CO[P@@]3(=O)OCc4ccccc4O3)O2)c(=O)[nH]c1=O	25991623	NEUXRWCLDPVEMR-REUOMCBWSA-N	392.304	2.033	0	1	GEAF	
CCCn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(F)c4)c3)nc2n(CC)c1=O	29055620	UNAVLTRDQJCVAE-UHFFFAOYSA-N	396.426	2.367	0	1	GEAF	
O=C(NC[C@H]1[C@H](c2ccccc2)[C@@H](CO)N1C(=O)C1CCC1)NC1CCCC1	95894900	PSPYKSKJQZXCHI-ZCNNSNEGSA-N	385.508	2.384	0	1	GEAF	
CC(C)Oc1nccc2c1C(c1ccnc(C(=O)N3C[C@@H]4C[C@H]3CO4)c1)=NC2	96176088	BDWUQPBIHYNENR-HOTGVXAUSA-N	378.432	2.228	0	1	GEAF	
C[C@H]1CCC/C=C/[C@@H]2C[C@H](OC(=O)CCC(=O)O)C[C@H]2[C@H](O)/C=C\C(=O)O1	169345511	IXNGCUAZCXPKBG-HBMSTODZSA-N	380.437	2.378	0	1	GEAF	
COc1c(Br)cc(/C=C/C(=O)NCCN)cc1Br	169346600	OLYPXZNGBYEFHH-NSCUHMNNSA-N	378.064	2.308	0	1	GEAF	
O=C(Nc1ccn[nH]1)c1cccc(OC[C@H](O)CN2CCc3ccccc3C2)c1	219779369	UUNMSKAYVXILBT-LJQANCHMSA-N	392.459	2.460	0	1	GEAF	
Nc1nc(O)c2nc(-c3cc(Cl)cc(I)c3)[nH]c2n1	587185182	YWTOAILOSYBENM-UHFFFAOYSA-N	387.568	2.566	0	1	GEAF	
C[C@@H](CO)Nc1ncc2c(n1)CN(C(=O)NCc1cccc3cc[nH]c13)CC2	1772647802	RIXRPATTXPFLHS-ZDUSSCGKSA-N	380.452	2.019	0	1	GEAF	
COc1ccc(CN2C[C@@H]3CN(C(=O)c4ccccc4OC)CCN3C2=O)cc1	2356302164	NJLNHVAEPPAFCD-KRWDZBQOSA-N	395.459	2.466	0	1	GEAF	
CCCCCC(=O)O[C@H]1C[C@](C)(O)[C@H]2CC[C@@](C)(C=C3OC(=O)C(CO)=C31)O2	2356379952	MGPYQXSGMJBBSY-GQSCTRQFSA-N	394.464	2.301	0	1	GEAF	
Cc1cc(C(=O)N[C@@H](Cc2ccccc2)C(=O)O)c(O)c2c1C[C@H](C)OC2=O	2356457773	BVASHDNGWPDVAK-LRDDRELGSA-N	383.400	2.228	0	1	GEAF	
O=C(c1ccccc1F)N1C[C@H]2COCCN2C2(C1)CN(C1CCCCC1)C2	2356289578	XKWUETCGYCOFMW-SFHVURJKSA-N	387.499	2.369	0	1	GEAF	
CCOC(=O)[C@H]1CCCN(C(=O)Cn2ncc3c4cc(C)ccc4nc-3c2O)C1	102752942	HCVSKGSCZYSJFG-AWEZNQCLSA-N	396.447	2.352	0	1	GEAF	
Cc1c(F)c(N2C[C@H]3C[C@@H]2[C@H](C)N3)nc2c1c(=O)c(C(=O)O)cn2C(C)(C)C	26742992	OGZLJXAKCYFIPK-DMDPSCGWSA-N	388.443	2.236	0	1	GEAF	
O=c1c2cc(-c3ccc(Cl)cc3)cn2ncn1-c1ccc(N2CC(O)C2)nc1	118799693	WVDWBRFTMSOBSU-UHFFFAOYSA-N	393.834	2.382	0	1	GEAF	
O=C(O)CN1CCC(CN2CCC(Oc3ccc(CO)c(Cl)c3)CC2)CC1	29133303	RXWVWTVWVOMPSM-UHFFFAOYSA-N	396.915	2.472	0	1	GEAF	
Cc1cccc(C)c1NC(=O)[C@H](C)NCCNC(=O)C1=CC(C)(C)NC1(C)C	40466902	ZVGGCUUGVAYHQU-INIZCTEOSA-N	386.540	2.423	0	1	GEAF	
O=c1c(NCc2cc3ccccc3o2)c2n(c(=O)n1Cc1ccncc1)CCN2	82204504	FPMFRNFTELYYJP-UHFFFAOYSA-N	389.415	2.237	0	1	GEAF	
FC(F)(F)c1nc(NC[C@H]2CCCO2)c2nnn(C[C@H]3CCCCO3)c2n1	84709729	DLBMSEXWUVTVDA-GHMZBOCLSA-N	386.378	2.400	0	1	GEAF	
Cc1cnc(C(=O)N2[C@H]3CC[C@H]2[C@H](COc2ccccn2)C3)c(-n2nccn2)c1	226086903	VJAYIPCCVAFBML-ULQDDVLXSA-N	390.447	2.438	0	1	GEAF	
Cc1cc(N)nc(C[C@@H]2CNC[C@@H]2OCCN[C@@H](C)Cc2cccc(F)c2)c1	95587214	AUSIEXNWJKDTQY-CDXJDZJCSA-N	386.515	2.479	0	1	GEAF	in-vitro
CCOC(=O)c1ccc2nc(-c3cc(CNS(C)(=O)=O)oc3C)[nH]c2c1	586945261	CFWGSFKFGNOMGT-UHFFFAOYSA-N	377.422	2.357	0	1	GEAF	
O=C1C[C@H](Cc2nc3c(O)nc(O)nc3[nH]2)c2c(Br)cccc2O1	587003070	JUOITCOWJLQTJS-LURJTMIESA-N	391.181	2.162	0	1	GEAF	
Cc1ncc([C@H]2CCN(C(=O)OC3[C@H]4CC5C[C@H]3CC(C(N)=O)(C5)C4)C2)cn1	1772636152	TZPRKTMMSOWSCM-YDXKZDGZSA-N	384.480	2.391	0	1	GEAF	
COC(=O)[C@@]1(C)N[C@H](c2ccc(F)cc2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21	19460561	MMTCGVFQEZEANG-WCLQXYBISA-N	382.391	2.208	0	1	GEAF	
COC(=O)C1=CCC[C@@H]2[C@@](C)(CCC3=C[C@H](O)OC3=O)[C@H](C)C[C@H](O)[C@@]12C	13484174	IAOFEWQUUQTEJH-IPEQEMOPSA-N	378.465	2.491	0	1	GEAF	biogenic,in-vitro
CCn1cc(C(=O)O)c(=O)c2c(N)c(F)c(N3C[C@@H](C)N[C@H](C)C3)c(Cl)c21	13649653	QAJCKEBMJSQGHD-RKDXNWHRSA-N	396.850	2.281	0	1	GEAF	
COC(=O)C1=CO[C@H](C)[C@@H]2CN3CC[C@]4(C(=O)Nc5ccc(OC)cc54)[C@@H]3C[C@H]12	32253695	HSEWZVYXOFZIMV-BGKCYPHXSA-N	398.459	2.071	0	1	GEAF	biogenic
COc1cc(OC)cc(C(=O)Nc2n[nH]c3c2CN(C(=O)c2ccccn2)C3)c1	53229094	UQJSASJZVAAIOG-UHFFFAOYSA-N	393.403	2.230	0	1	GEAF	
CNC[C@H]1Oc2ncc(-c3ccccc3C)cc2C(=O)N([C@@H](C)CO)C[C@H]1C	95715249	KRNBFKLEYNUIPW-GQIGUUNPSA-N	383.492	2.497	0	1	GEAF	
O=C(NC[C@H]1[C@@H](c2ccccc2)[C@@H](CO)N1C(=O)C1CCC1)NC1CCCC1	95894899	PSPYKSKJQZXCHI-XUVXKRRUSA-N	385.508	2.384	0	1	GEAF	
CCN(C[C@H]1N[C@H](CO)[C@@H]1c1ccc(-c2cccc(F)c2)cc1)C(=O)CN(C)C	95895914	JFPSSIPVMNONBM-MQSCRBSSSA-N	399.510	2.319	0	1	GEAF	
O=C1O[C@@H](c2ccccc2)C(=O)N1CCN1CCN(c2ccc(O)cc2)CC1	103208205	KETPUGGJDNEUHK-IBGZPJMESA-N	381.432	2.234	0	1	GEAF	
COCCc1ccc(OC[C@H](O)CN[C@H](C)[C@H](O)c2ccc(O)cc2)cc1	253805236	KVDVMDRYKYWOAE-VMRPVKRXSA-N	375.465	2.033	0	1	GEAF	
CCCc1c(O)ccc2c1O[C@](CN1CCOCC1)(c1cnn(C)c1)CC2=O	587475321	MDWZYXOZIQAFNH-OAQYLSRUSA-N	385.464	2.271	0	1	GEAF	
Cn1cc2c(n1)CCC[C@]21N[C@@H](C(=O)O)Cc2cc(OC(F)(F)F)ccc21	962631545	KZXKJTYLKOSZOS-NVXWUHKLSA-N	381.354	2.498	0	1	GEAF	
N=C(N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)OCc2ccccc2)cc1	1772603941	JVFCTUSPXZHDTR-SFHVURJKSA-N	380.448	2.388	0	1	GEAF	
O[C@@H]1[C@@H](NC2CCC(F)(F)CC2)[C@H]2CO[C@@H](O2)[C@@H]1n1cnc2ccccc21	2356311619	HJJVBLSFWPPYPX-ILOCAZANSA-N	379.407	2.230	0	1	GEAF	
CC=C1CN2[C@H]3C[C@@]45c6cc(OC)cc(OC)c6N[C@@]4(O3)[C@H]2C[C@H]1[C@H]5C(=O)O	2356637772	DQVHXLYSIWOSII-ZLGNIKCISA-N	384.432	2.175	0	1	GEAF	
CC(C)CN[C@@H]1CO[C@H]2[C@H]1OC[C@H]2Nc1nccc(-c2ccc(N(C)C)cc2)n1	2356856260	RZHJEQPLMZYSSN-MXEMCNAFSA-N	397.523	2.402	0	1	GEAF	
CCOc1cccc(SCc2noc(C(=O)NCCOC)c2C(=O)O)c1	8691397	COGKMJZWOPOSFY-UHFFFAOYSA-N	380.422	2.440	0	3	GEAF	
Cc1cc(S(=O)(=O)N(Cc2ccccc2F)C2CC2)ccc1-n1cnnn1	38663558	TUUVETOZBABJNV-UHFFFAOYSA-N	387.440	2.463	0	3	GEAF	
O=C(NCc1ccccn1)C1=CC2=N[C@@H](c3ccco3)C[C@H](C(F)(F)F)N2N1	104014418	NLIWRAUVVMJLDF-IUODEOHRSA-N	391.353	2.469	0	3	GEAF	
Cc1cncc(-c2cc3c(cn2)cnn3-c2cccc([C@@H]3CNCC[C@@H]3O)n2)n1	216487188	NRWVKWOODSLDFZ-YWZLYKJASA-N	387.447	2.019	0	1	GEAF	
O=C(Nc1cnn([C@H]2CCOC2)c1)c1ccc2cc3n(c2c1)CCCNC3=O	218271976	NHIOSTPLBWWGSS-INIZCTEOSA-N	379.420	2.185	0	1	GEAF	
Cc1cc(C(=O)N2CCc3[nH]cnc3[C@H]2c2ccc(-n3cncn3)cc2)no1	70725328	MZLPFFATPDTPQH-GOSISDBHSA-N	375.392	2.075	0	1	GEAF	
CNC(=O)Nc1ccc(-c2nc(N3C[C@@H]4CC[C@H](C3)O4)c3cnn(C)c3n2)cc1	45368325	APYPCVRCUBVUDW-GASCZTMLSA-N	393.451	2.149	0	1	GEAF	
CC[C@@]1(O)CC(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccc(O)cc1c2C	49088130	CQYIILFNLODHHN-JOCHJYFZSA-N	392.411	2.484	0	1	GEAF	
O=C(N[C@@H]1CC[C@H](CCn2cc(C3CCCC3)nn2)O[C@@H]1CO)c1cccnc1	95797143	JAHQNXWPFXREPC-QWFCFKBJSA-N	399.495	2.059	0	1	GEAF	
C[C@]1(O)OC(=O)C(Oc2ccc(F)c(F)c2)=C1c1ccc(S(C)(=O)=O)cc1	13488625	FQAOARDGZGUJND-SFHVURJKSA-N	396.367	2.424	0	1	GEAF	
COc1ccc2c(c1OC)C(=O)N1CCc3cc4c(cc3[C@@]1(OC)C2=O)OCO4	14592960	IVAMGEUWSQPWOS-OAQYLSRUSA-N	397.383	2.127	0	1	GEAF	biogenic
COc1cc([C@H]2O[C@@H](c3ccc(O)c(OC)c3)[C@@H](CO)[C@@H]2CO)ccc1O	14613120	NYDZRKZVFLLTLO-WZBLMQSHSA-N	376.405	2.145	0	1	GEAF	biogenic,in-vitro
COc1cc2c(c(OC)c1OC)CCCN1CCC3=C[C@H](O)[C@H](OC)C[C@@]321	14929838	FVKSQSNYASVPRU-YRISNDGFSA-N	375.465	2.266	0	1	GEAF	biogenic
C[C@H](Cc1ccc(OCC(=O)O)cc1)NC[C@@H](O)c1cc(Br)no1	28647238	KCHQLMBKWLCKFU-ZWNOBZJWSA-N	399.241	2.155	0	1	GEAF	
Cc1cc(N)nc(C[C@H]2CNC[C@H]2N(C)CCN(C)CCc2cccc(F)c2)c1	40413825	HHDFROYUSGXVSJ-SIKLNZKXSA-N	399.558	2.348	0	1	GEAF	
Nc1ncnc2c1ncn2[C@H]1CC[C@@H](CO[P@](=O)(O)Oc2ccccc2)O1	43061458	KOUKMWPUPPFJKV-QWHCGFSZSA-N	391.324	2.282	0	1	GEAF	
CCCCOc1ccc(N2C(=O)C(SCCO)=C(SCCO)C2=O)cc1	49808613	AYMWRVDDPWHSMB-UHFFFAOYSA-N	397.518	2.401	0	1	GEAF	
C=CC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCCC1	95560589	VXVQQCCBNJJIAL-SFHVURJKSA-N	387.480	2.376	0	1	GEAF	
C[C@@H](c1nc2cccnc2c(=O)n1-c1ccccc1)n1cnc2c(N)ncnc21	95564445	VUQMYUUPDWGKJJ-LBPRGKRZSA-N	384.403	2.112	0	1	GEAF	
CCCN1[C@H](C(=O)N[C@H](C)c2ccccc2)[C@@H](CO)[C@@H]2Cn3c(cccc3=O)[C@@H]21	95797001	YIELOQINJAINDP-DSIDUYFZSA-N	395.503	2.099	0	1	GEAF	
COC(=O)[C@@]12C[C@H]3C[C@@H]([C@H](C)O)[C@H]1N(CCc1c2[nH]c2cc(OC)ccc12)C3	100163022	XGWIRMWTCWJZPG-KCFVEREPSA-N	384.476	2.235	0	1	GEAF	
Cc1nc(NS(C)(=O)=O)sc1-c1nc2ccc(C(=O)N(C)C)cc2[nH]1	586951542	QCKIQJSYFAEQOI-UHFFFAOYSA-N	379.467	2.068	0	1	GEAF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](CCCNS(C)(=O)=O)N1	587841124	PTQJWLRSKPIDIO-BXKDBHETSA-N	379.295	2.493	0	1	GEAF	
Cc1cc2c(cc1F)[C@H](c1ccc(S(C)(=O)=O)cc1S(C)(=O)=O)NCC2	962086973	BJMAPCSQKKMZKH-SFHVURJKSA-N	397.493	2.176	0	1	GEAF	
Cc1ccc(C)n1-c1nnc(N2CCC(C(=O)NC[C@H]3CCCO3)CC2)s1	6806100	BKOWNLKVAPJOCI-MRXNPFEDSA-N	389.525	2.457	0	1	GEAF	
CCN(CC)S(=O)(=O)c1ccc2[nH]cc(C(=O)NCCC(C)C)c(=O)c2c1	6920274	WFWJXGFORQXTIT-UHFFFAOYSA-N	393.509	2.335	0	1	GEAF	
COC(=O)[C@H]1C[C@H](C(=O)O)Nc2cc(Cl)cc(I)c21	13455187	FBBUJQUXLXQMFM-IMTBSYHQSA-N	395.580	2.470	0	1	GEAF	
COc1cc(CC(=O)NC[C@H](COC(C)=O)OCc2ccccc2)ccc1O	26740582	KIDNLFYWFARMJT-GOSISDBHSA-N	387.432	2.208	0	1	GEAF	
COc1ccc(OC)c2c1C=C1C(=O)N(C(C)=O)CC(=O)N1[C@H]2c1ccccc1	28640375	DICINMBRVZQKDM-NRFANRHFSA-N	392.411	2.365	0	1	GEAF	
O=C(C1CCC1)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2C(=O)c1cccnc1	95798420	UNIXKLNLSTUFNF-UXHICEINSA-N	391.471	2.063	0	1	GEAF	
CS(=O)(=O)N1CCCC[C@H](Nc2ncccc2-c2cnc3[nH]ccc3n2)C1	168988398	XNDQNBFQNOZWQD-ZDUSSCGKSA-N	386.481	2.246	0	1	GEAF	
CC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1cccc(-c2nsc(=O)o2)c1	169334473	QIOPWSOHRXEMHO-MRXNPFEDSA-N	383.429	2.449	0	1	GEAF	
Cc1ccc(-n2nccn2)c(C(=O)N2[C@H]3CC[C@H]2[C@H](COc2ccccn2)C3)n1	226050822	SPNVMISESJDLQJ-ULQDDVLXSA-N	390.447	2.438	0	1	GEAF	
CC(C)(C)c1nccc(-c2cnc(NC(=O)N3C[C@@H]4C[C@H]4[C@@H]3C(N)=O)s2)n1	230815900	DMOPXNHLKVNOOY-OPQQBVKSSA-N	386.481	2.235	0	1	GEAF	
CN1C(=O)N(CCCCc2cc3c4c(cccc4n2)CC3)C(=O)[C@H]2[C@H]1N=CN2C	587213107	TVCIRUUINBCYGV-UXHICEINSA-N	391.475	2.219	0	1	GEAF	
COC(=O)c1cc(OC)n(-c2cc(C(=O)O)ncc2Br)c1OC	587942364	WLIGRMRVWNKLLB-UHFFFAOYSA-N	385.170	2.137	0	1	GEAF	
CNCc1cn(S(=O)(=O)c2cccc(C)n2)c(-c2cccnc2F)c1F	117031361	KEJXXRZTHCEINM-UHFFFAOYSA-N	378.404	2.488	0	1	GEAF	
O=C(Nc1nnc([C@H]2C[C@H](O)[C@@H](CO)O2)s1)Nc1cccc2c1CCCC2	61926176	UVXVGPCYBHTASN-RRFJBIMHSA-N	390.465	2.244	0	3	GEAF	
CC(=O)O[C@@H]1C=CC(C)(C)[C@@H]2CC[C@]3(O)[C@H](O)C4=C(C)C(=O)O[C@@H]4C[C@@H]3[C@@]21C	2356533592	LQBVAPXSEOYEIN-XRCOOZQHSA-N	390.476	2.284	0	1	GEAF	
COc1ccc(CNC[C@@H](O)COc2cccc3[nH]c(=O)ccc23)cc1OC	27182360	QOCJBIDDQQKBOO-OAHLLOKOSA-N	384.432	2.075	0	1	GEAF	
O=C(NCCN1CCCCC1)c1ccc2c(=O)n(C3CCCCC3)c(=O)[nH]c2c1	28641305	NNJAFUNKEIDAAF-UHFFFAOYSA-N	398.507	2.411	0	1	GEAF	in-vivo
COCCN[C]1C=C(c2noc([C@H]3CCCN3Cc3cccnc3)n2)C=CN1	2356818512	NGKRZGIRUHQUCB-QGZVFWFLSA-N	381.460	2.027	0	1	GEAF	
CC(=O)Nc1cccc(-c2ccnc3c2C[C@@](C)(C(=O)NCCN(C)C)O3)c1	61927343	BVDZZWVCAZDXTC-NRFANRHFSA-N	382.464	2.078	0	3	GEAF	
CS(=O)(=O)CCCn1c(Cn2c(=O)[nH]c3ccccc32)nc2ccccc21	38142817	YFOGAQGUPKATLX-UHFFFAOYSA-N	384.461	2.162	0	1	GEAF	
CN1C(=O)/C(=C/c2ccc3c(c2)OCO3)N=C1Nc1ccc2c(c1)OCCO2	72110810	AMAGLSOYOINTBJ-ZSOIEALJSA-N	379.372	2.468	0	1	GEAF	
CN1CCC[C@H](C(=O)NCc2ccc(-n3cc4cccc(C(N)=O)c4n3)cc2)C1	45347246	NWAGWYQOJGTXLT-KRWDZBQOSA-N	391.475	2.082	0	1	GEAF	
C[C@@H]1[C@H](c2ccc3c(n2)N(C)S(=O)(=O)N3C[C@@H]2CC2(F)F)[C@@H]1C(C)(C)O	144967063	XKZJGPAQRAEUDQ-RDBQEKCUSA-N	387.452	2.358	0	1	GEAF	
C/C=C/c1ccc([C@H]2[C@H](CO)N[C@H]2CN(C)S(=O)(=O)c2ccccc2)cc1	95895050	NETWDHXXCLOVFS-PHNIROHWSA-N	386.517	2.457	0	1	GEAF	
CC(=O)C[C@@H]1C(=O)[C@@](O)(CO)[C@@H]2CC[C@@](C)(C2)[C@H]1/C=C/OC(=O)C=C(C)C	238776070	VSXXXICJCOSCLJ-YZHNTWCPSA-N	378.465	2.334	0	1	GEAF	
O=C1COCCN1c1ccc(-n2cnc3onc(-c4ccccc4)c3c2=O)cc1	299864199	QTPOJBULQQBHLM-UHFFFAOYSA-N	388.383	2.404	0	1	GEAF	
O=C(NC1[C@H]2CC3C[C@H]1CC(O)(C3)C2)c1cnn2c(C(F)(F)F)ccnc12	653798480	YVXQEBXXTFYPTB-AUIDIWKESA-N	380.370	2.418	0	1	GEAF	
CCn1cc([C@]2(CN3CCOCC3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(C)n1	587433536	YVLFRLMOPBLBCQ-VGOFRKELSA-N	397.475	2.195	0	1	GEAF	
Cc1cc(F)c2[nH]c(-c3nc(O)nc(O)c3I)nc2c1	587181719	APJMSTHKRFILNC-UHFFFAOYSA-N	386.124	2.483	0	1	GEAF	
CC(C)(C)OC(=O)NCCN1CCC(c2nnn3cnc4[nH]ccc4c23)CC1	1772636739	XVPYLJMSVCIUHG-UHFFFAOYSA-N	385.472	2.310	0	1	GEAF	
O=C1N[C@@H]2[C@H](CCCCCc3cn(Cc4cccc(O)c4)nn3)SC[C@@H]2N1	1772625895	GIRKAZMAVNIIAF-BZSNNMDCSA-N	387.509	2.300	0	1	GEAF	
CCOc1cnc(CS(=O)(=O)/C=C/c2c(OC)cc(OC)cc2OC)cn1	1772645359	VKRGPCNFCGNJFW-VOTSOKGWSA-N	394.449	2.487	0	1	GEAF	
CN1CCCCC[C@@H]1C(=O)N1CCOc2ccc(CN3CCOCC3)cc2C1	12133701	NZYQYWLAYKRKMB-HXUWFJFHSA-N	387.524	2.114	0	1	GEAF	
CCOC(=O)[C@H]1[C@H](c2ccc(Cl)cc2)NC(=S)N[C@@]1(O)C(F)(F)F	13686188	WOPRLQIRUQIUTM-NRUUGDAUSA-N	382.791	2.289	0	1	GEAF	
CC1=NN(C(=O)c2cc3ccccc3oc2=O)C(=O)[C@H]1CNc1ccccn1	169351912	WKTAQUORBZYPEM-HNNXBMFYSA-N	376.372	2.275	0	1	GEAF	
O=C(O)CC[C@H](NC(=O)c1ccc(/C=C2\SC(O)=NC2=S)cc1)C(=O)O	169701120	HGTQVYGWJNFSDW-QBQSQJOESA-N	394.430	2.064	0	1	GEAF	
COC1CCC2(CC1)Cc1ccc(N3CCCC3)cc1[C@]21N=C(N)N(C)C1=O	201212126	MFAOCQYEZUHUHV-JHJOLFGTSA-N	382.508	2.400	0	1	GEAF	
O=S(=O)(NC[C@@H]1C[C@H](OCc2ccccc2)CN1)c1cccc2cnccc12	14958073	VHRZECQMLPMDCS-OALUTQOASA-N	397.500	2.460	0	1	GEAF	
CSC[C@@H](NC(=O)COc1ccc2c(C)c(C)c(=O)oc2c1C)C(=O)O	33794439	ZLKKHMKSMWDAMQ-CYBMUJFWSA-N	379.434	2.029	0	1	GEAF	biogenic
O=C(Cn1cccc(NCc2ccccc2)c1=O)N[C@H](CO)c1ccccc1	43024507	WQWSBEVTDVUBPU-HXUWFJFHSA-N	377.444	2.310	0	1	GEAF	
COc1cc2nc(NC[C@@H](O)CO)nc(NC3CCCCC3)c2cc1OC	82124964	NQYRQYYEYMWTEN-CYBMUJFWSA-N	376.457	2.157	0	1	GEAF	
CNC(=O)c1ccncc1NC(=O)c1nc(C2CC2)ccc1Nc1cncnc1	95579303	QJUBZPIVEQSLKB-UHFFFAOYSA-N	389.419	2.500	0	1	GEAF	
CCCNC(=O)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2Cc1ccccn1	95794681	YGYMJHANAHVBIU-VQTJNVASSA-N	380.492	2.216	0	1	GEAF	
COc1ccc2nc(CCC(=O)Nc3nnc(-c4ccncc4)s3)[nH]c2n1	587025355	LVDCFSXCPJNVFO-UHFFFAOYSA-N	381.421	2.451	0	1	GEAF	
CC(C)(C)OC(=O)N[C@]1(c2nc3c(N)ncnc3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C	587238361	CKAZJWDWDMQBMP-WLCUFGOBSA-N	388.472	2.490	0	1	GEAF	
C=CN1CC[C@H]([C@]2(c3cnccn3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C1=O	587438179	NGLUKRQBPRWAAM-ZSDSOXJFSA-N	377.400	2.120	0	1	GEAF	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)O)(c2csc(N)n2)N1	587852685	MWEVYRIABCWDEL-MDAAJZPYSA-N	386.246	2.489	0	1	GEAF	
Cc1ccc(C[C@H](NC(=O)[C@@H]2NC(=O)[C@H]3CCCC[C@@H]3N2)c2ccccn2)cc1	618014915	BZMMMPVKLKPHDA-QIJZPMMNSA-N	392.503	2.394	0	1	GEAF	
NS(=O)(=O)c1ccc(-n2cccc2[C@H]2NCCc3c(C(=O)O)cccc32)cc1	963127999	ZBQNQCYFYKAUDW-IBGZPJMESA-N	397.456	2.058	0	1	GEAF	
COCCOc1n[nH]c2cc(NC(=O)N[C@@H](c3ccccc3)[C@@H](C)O)ncc12	1772644517	GBAJIKZKWATEPA-SJKOYZFVSA-N	385.424	2.227	0	1	GEAF	
O=C(Nc1ccc2c(c1)CN(C(=O)CCCn1cncn1)CC2)c1ccncc1	13593917	GOIAMRRCBFVJKZ-UHFFFAOYSA-N	390.447	2.291	0	3	GEAF	
COc1ccc(S(=O)(=O)NC(=O)[C@@]2(C)CCN2C(=O)CC2CCCC2)cc1	61929893	HUCAFOGCCLYXME-LJQANCHMSA-N	394.493	2.071	0	3	GEAF	
C[C@@H](CSC(=O)[C@@H](C)NC(=O)C1CCCCC1)C(=O)N1CCC[C@@H]1C(=O)O	3831153	QIJLJZOGPPQCOG-GZBFAFLISA-N	398.525	2.043	0	1	GEAF	
C[C@H](C[P@](=O)(O)C[C@@H](CCC(=O)O)C(=O)O)C(=O)OCc1ccccc1	13470286	NYUFUODXMXEYLV-TZMCWYRMSA-N	386.337	2.202	0	1	GEAF	
O=C(O)c1cn(CCF)c2c(F)c(N3CCN4CCC3CC4)c(F)cc2c1=O	13650320	PJYFVHIXGYHIGD-UHFFFAOYSA-N	395.381	2.232	0	1	GEAF	
COc1cc(OCCCNc2nc(N)nc(O)c2N=O)cc(OC)c1OC	27733269	UDZIYNIEBCEPGM-UHFFFAOYSA-N	379.373	2.069	0	1	GEAF	
COCCNC(=O)c1cc(N[C@H]2c3ccccc3C[C@@H]2O)c2nc(C)c(C)n2c1	28826112	VTOVLMVWHQYPBR-PMACEKPBSA-N	394.475	2.398	0	1	GEAF	
CN(C)Cc1ccc(CSCCNC2=NS(=O)(=O)c3cscc32)o1	38192496	CPQCBGMVDITBNW-UHFFFAOYSA-N	385.536	2.375	0	1	GEAF	
CCOC(=O)C(=O)C[C@@]1(c2ccccn2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	587436921	VHVDTLVQDBNEEP-SPLOXXLWSA-N	381.384	2.255	0	1	GEAF	
COC(=O)C1([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)CC(OC)(OC)C1	587444625	WOBXUIRRWZWKCZ-ACJLOTCBSA-N	376.405	2.144	0	1	GEAF	
O=C(Nc1nc(C(=O)Nc2nn[nH]n2)c(-c2ccccc2)s1)c1nccs1	621477526	NEBDHZMMVUZDQB-UHFFFAOYSA-N	398.433	2.284	0	1	GEAF	
Cc1nccc(C[C@@H]2[C@H](NCc3ccccc3C(F)(F)F)C[C@H](O)[C@H]2CO)n1	2356388048	OVBHAZDRFJSHBJ-DKKFBQAASA-N	395.425	2.494	0	1	GEAF	
CC(C)(C)OC(=O)n1cc(C[C@@H]2NC(=O)[C@H]3CCCN3C2=O)c2ccccc21	2356430656	YMBWWWKPLURITN-DOTOQJQBSA-N	383.448	2.456	0	1	GEAF	
O=c1nc(Nc2ccccc2)[nH]c2c1ncn2CCCCN1CCC[C@H](O)C1	13644934	WAUNNEVWOWLUDW-INIZCTEOSA-N	382.468	2.100	0	1	GEAF	
Cc1ccccc1-c1nc(C(=O)N[C@H](C)C(=O)NCCCN2CCCC2)co1	82070668	WOFRKQRLOOQTBX-MRXNPFEDSA-N	384.480	2.370	0	1	GEAF	
Cc1nn(C2CCCCC2)c2sc(C(=O)NCCN3CC(=O)NC3=O)cc12	114711669	RTMUPKQFVKDSNK-UHFFFAOYSA-N	389.481	2.193	0	1	GEAF	
O=c1nc(OC[C@@H]2COCCO2)cc2n1CCc1cc(-c3ccncc3)ccc1-2	142929038	RDXHLXPVIQVMJC-SFHVURJKSA-N	391.427	2.323	0	1	GEAF	
COC(=O)[C@@]1(C)N[C@@H](c2ccccc2C)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21	169296904	RHVGEUXBJDKUEV-QLDGJZPUSA-N	378.428	2.377	0	1	GEAF	
CCOc1ccc([C@@]2(CC)c3[nH]cnc3C[C@H]3C(=O)N4CCC[C@H]4C(=O)N32)cc1	963217481	GLYYLDHZJLXVTM-SPEDKVCISA-N	394.475	2.220	0	1	GEAF	
CC(=O)N1CC[C@H](OCc2cncc(-c3cnc4c(c3)CCCN4C(N)=O)c2)C1	1772647686	CJXLZXLBVKZFMY-IBGZPJMESA-N	395.463	2.112	0	1	GEAF	
COc1ccc(-c2cc3c(N[C@H](CO)CC(C)C)c(C(N)=O)cnn3c2)cn1	1857567044	GSBYTPQPHDYKMO-HNNXBMFYSA-N	383.452	2.323	0	1	GEAF	
CO[C@@H]1C[C@H](Cc2ccc(Cl)cc2)N(C2CCN(c3nc(=N)[nH][nH]3)CC2)C1	1857569239	CWVKUWZSIMMEOV-DLBZAZTESA-N	390.919	2.171	0	1	GEAF	
COc1cc(-c2cn3c(=O)n(-c4ccccc4)nc3c(N)n2)cc(OC)c1OC	1857578040	ZVNUQVQHRWHRQA-UHFFFAOYSA-N	393.403	2.155	0	1	GEAF	
CS(=O)(=O)c1n[nH]c(-c2ccc(=O)n(Cc3c(Cl)cccc3Cl)c2)n1	1857752048	DMNDNKOMHAOARV-UHFFFAOYSA-N	399.259	2.392	0	1	GEAF	
C[C@@H]1CC(=O)N(CC(=O)Nc2ccccc2F)c2ccccc2S1(=O)=O	6806569	DJRVQZDIKSEINV-GFCCVEGCSA-N	376.409	2.363	0	3	GEAF	
C[C@H]1Cn2cnc(C(=O)Nc3ccc(CNC(=O)OC(C)(C)C)cc3)c2C(=O)N1	61921847	WJWYMRAUPRDAKB-LBPRGKRZSA-N	399.451	2.292	0	3	GEAF	
C[C@@H](CC(=O)NC1CCCCC1)S(=O)(=O)c1ccc2c(c1)NC(=O)CO2	6930543	LAIJVNDXJTYGRF-LBPRGKRZSA-N	380.466	2.019	0	3	GEAF	
COc1cccc(CN[C@@H]2[C@H](c3ccc(C(F)(F)F)nc3)C[C@H](O)[C@H]2O)c1	2356286564	FTSDYEISOLXJEW-CWLKWCNXSA-N	382.382	2.477	0	1	GEAF	
O=C1NC(=O)[C@@H](Cc2ccc(OC[C@H]3CN(c4ccccn4)CCO3)cc2)S1	26576295	BFPDABDSWKDGOH-IAGOWNOFSA-N	399.472	2.260	0	1	GEAF	
COC(=O)c1ccc2nc(CO[C@@H]3CN(Cc4cccnc4)C[C@@H]3F)[nH]c2c1	2356311075	HHBNLGUFOXITSD-MAUKXSAKSA-N	384.411	2.484	0	1	GEAF	
O=P(O)(O)C1(P(=O)(O)O)CC(c2ccc(Cl)c(Cl)c2)=NO1	29056814	GHPZVOJGLCIFHE-UHFFFAOYSA-N	376.025	2.127	0	1	GEAF	
CC(C)CN[C@@H]1C[C@H](O)[C@@H](CO)[C@@H]1Cc1ccnc(COc2ccccc2)n1	2356456563	JFNJURZZYRJCMV-BURNTYAHSA-N	385.508	2.202	0	1	GEAF	
Cn1c(NC(C)(C)C)nc2c(-c3cc4c([nH]3)[C@@H](CCN)NC4=O)cccc2c1=O	222350198	NJOKRJWJYGYTRB-CQSZACIVSA-N	394.479	2.272	0	1	GEAF	
Nc1ccc(-c2nc(N3CCOCC3)nc3c2CCN3c2ccncc2)nc1	95595039	QDBZAEAZSWKCEA-UHFFFAOYSA-N	375.436	2.047	0	1	GEAF	
COC(=O)[C@H]1C[C@@H](C(=O)OC)[C@H]2ON=C(c3ccc(Br)cc3)[C@@H]12	653794095	LHPOSRJMQMQCST-FMCLSXCISA-N	382.210	2.150	0	1	GEAF	
CS(=O)(=O)Nc1ccccc1Cc1nc2nc(Br)c[nH]c-2n1	586949936	ICWZKDJBQSJQHA-UHFFFAOYSA-N	382.243	2.029	0	1	GEAF	
CN1CCC(NS(=O)(=O)c2cccc(C(=O)Nc3ccc(F)cc3)c2)CC1	221654120	QMHWEXKBDDJDTC-UHFFFAOYSA-N	391.468	2.451	0	1	GEAF	
O=C(N[C@@H]1CCCC[C@@H]1O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1	207732852	QAJNYQOTASUETI-CJNGLKHVSA-N	381.423	2.359	0	1	GEAF	
Cc1ccc(NC(=O)N2CCC(Cn3cc(CN4CCOCC4)nn3)CC2)cc1	23366913	VENOUCURIRXIIO-UHFFFAOYSA-N	398.511	2.363	0	1	GEAF	
COc1cc(C[C@@H](CO)[C@@H](CO)Cc2cc(OC)c(O)c(OC)c2)ccc1O	33832538	AMVHSCBIZLVSPF-JKSUJKDBSA-N	392.448	2.126	0	1	GEAF	biogenic,in-vitro
C[C@H]1CNc2c(NCc3cccc(O)c3)c(=O)n(Cc3ccccc3)c(=O)n21	82210791	NMEUYXHTKMZDDM-AWEZNQCLSA-N	378.432	2.363	0	1	GEAF	
O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccn2cncc2c1	96282789	VILSQTOLHRTNGD-UHFFFAOYSA-N	398.488	2.439	0	1	GEAF	
O=C1[C@@H]2C=C(I)[C@H](C[C@@H]2OCCCCCCO)[C@@]12CO2	100264561	QFMSBBZGQQICDX-MPXAEWJHSA-N	392.233	2.231	0	1	GEAF	
CCCc1nccn1[C@@H](CC(=O)OCC)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1OC	103280061	YMWINJDXMNADPA-ZVGAHRMSSA-N	382.457	2.221	0	1	GEAF	
Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4ccnn4-c4ccccc4)C[C@@H]3C2)n1	116823104	VIHDZDWPQOPCLB-QZTJIDSGSA-N	388.475	2.488	0	1	GEAF	
COc1cnc(C(=O)Nc2ccc(F)c([C@]3(C)C=CSC(N)=N3)c2)c(N)n1	147046591	LLCGVXOZGVNYGB-KRWDZBQOSA-N	388.428	2.249	0	1	GEAF	
NS(=O)(=O)c1ccc(CCc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)cc1	586930398	RQWWMDZENHGUHI-UHFFFAOYSA-N	381.360	2.317	0	1	GEAF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)C2(O)O	587823121	SKCACCOATJKIGZ-XLFHBGCDSA-N	392.224	2.243	0	1	GEAF	
Cc1nc2c(N3CCOCC3)ncnc2n1Cc1ccc(-c2cnn(C)c2)cc1	1772638474	RRJUCNGXVGOTKR-UHFFFAOYSA-N	389.463	2.420	0	1	GEAF	
Cc1nc(C)c(/C=C/C(=O)N2CCC=C(I)C2=O)nc1C	1772641806	YTDONUVCMOZIEB-VOTSOKGWSA-N	397.216	2.493	0	1	GEAF	
C[C@@]1(c2ccc(OC(F)F)cc2)NC(=O)N(CC(=O)c2ccccn2)C1=O	1857556183	LEXXNZLAXHXYOB-SFHVURJKSA-N	375.331	2.333	0	1	GEAF	
O=C(CF)CNC(=O)[C@H](Cc1cccc(F)c1)NC(=O)OCc1ccccc1	1857612922	MSTHTKTWGVWYNM-SFHVURJKSA-N	390.386	2.318	0	1	GEAF	
COCCNC(=O)C[C@@H]1C[C@@H](C(C)C)[C@@H](CNC(=O)c2cnccn2)C=C1C	2356316312	VLNVROQVJSHJAD-KSZLIROESA-N	388.512	2.214	0	1	GEAF	
CC(=O)O[C@@H]1C[C@H](CO)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@H](O)CC(=O)O3)[C@@H]21	2356431341	MMJWMAXYKPRTQH-MFWLJKCOSA-N	378.465	2.142	0	1	GEAF	
O=C(NCCc1ccccc1)[C@H]1[C@H]2C=C[C@]3(CN(Cc4cccs4)C(=O)[C@H]13)O2	4576174	XMSJWPKHWOLGJU-MDPIYQRISA-N	394.496	2.389	0	1	GEAF	
CCOC(=O)[C@]1(O)C=C(OCc2cc3ccc(Cl)cc3s2)[C@@H](O)[C@H](O)C1	72180602	YAVDVZUDUWHTOX-RPVQJOFSSA-N	398.864	2.375	0	1	GEAF	
Nc1cccn2cc(C(=O)N3CCN(CCc4ccc(F)cc4F)CC3)nc12	73297251	GQEUCGCMSVRXSX-UHFFFAOYSA-N	385.418	2.195	0	1	GEAF	
COc1ccccc1C(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)C1CC1	95894421	HWFQZCDSAFHHGJ-DYXWJJEUSA-N	392.455	2.421	0	1	GEAF	
CC(C)Nc1nc(-c2ccc(C3(O)CCNCC3)cc2)cc2ncn(C)c(=O)c12	115625438	MIGPKCVFXWHAJR-UHFFFAOYSA-N	393.491	2.387	0	1	GEAF	
O=C(c1ccc2nc(-c3occ4c3CCC4)[nH]c2c1)N1CCN(CCO)CC1	586905486	QQMOWJOVRDBSRN-UHFFFAOYSA-N	380.448	2.062	0	1	GEAF	
CS(=O)(=O)NCCC[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	587606532	HXDNLIGYTZFLEZ-ZBFHGGJFSA-N	377.418	2.052	0	1	GEAF	
CNCC(=O)OCc1ccc([C@@H](CN)C(=O)Nc2ccc3cnccc3c2)cc1	653708457	IWGHQMVRGOZVOW-HXUWFJFHSA-N	392.459	2.178	0	1	GEAF	
COC(=O)C1=NN[C@]2(c3ccc(C)cc3)C(=O)N(c3cccc(C)c3C)C(=O)[C@@H]12	7044093	SQVCRPCYVJYJJI-VGSWGCGISA-N	391.427	2.129	0	3	GEAF	
CC[C@@H]1C2=C3N(CCCC2)[C@H]([C@@H]2C[C@H](C)C(=O)O2)C[C@@]32OC(=O)[C@@H](C)[C@H]2[C@H]1O	103565563	AQNPGXKKPJKNFG-PXEDUFHISA-N	389.492	2.399	0	1	GEAF	biogenic,in-vitro
CNCc1cn(S(=O)(=O)c2cccc(OC)n2)c(-c2cccnc2F)c1F	116577612	JFISTMQCDPXOOB-UHFFFAOYSA-N	394.403	2.188	0	1	GEAF	
COc1cc([C@@H](O)c2cnnn2Cc2ccc3c(c2)OCO3)cc(OC)c1OC	28872628	IHVQAACTJVDHHO-LJQANCHMSA-N	399.403	2.163	0	1	GEAF	
CNC(=O)c1ccc(N2CCN(Cc3ccc4c(c3)NC(=O)[C@H](C)O4)CC2)cc1	68246986	WUMWUCZSMPMERM-HNNXBMFYSA-N	394.475	2.088	0	1	GEAF	
CN(CCCNCCc1ccc2c(c1)OCO2)c1nc(-n2ccnc2)ns1	73195852	JSASQCYGFSWXTP-UHFFFAOYSA-N	386.481	2.111	0	1	GEAF	
O=CN(O)C[C@@H](CC1CCCC1)C(=O)N1CCCCN1C(=O)c1ccoc1	72175365	KOMJMNUSMGRJIR-QGZVFWFLSA-N	377.441	2.303	0	1	GEAF	
O=C(c1ccc2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2)N1CC(OCCO)C1	143338126	SPQSUDROZKYKIG-IBGZPJMESA-N	393.361	2.299	0	1	GEAF	
Cn1c2c([C@H](O)[C@@H](O)[C@H](O)CO)nc(-c3ccccc3)c-2cc2ccccc21	34660317	XKUIGAKCZROFRN-WTNAPCKOSA-N	378.428	2.093	0	1	GEAF	biogenic
Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CCC3)n2)cc1C(F)(F)F	653680454	GXRGMNJBJSKYNQ-RYUDHWBXSA-N	392.385	2.327	0	1	GEAF	
CC[C@@H](C)n1ncc(I)c1-c1nc2c(O)ncnc2[nH]1	587181576	VVTLYCROJWBCQA-ZCFIWIBFSA-N	384.181	2.498	0	1	GEAF	
CN(C)/C=C1\C[C@@H](NC(=O)OC(C)(C)C)Cc2cc3c(O)nc(O)nc3nc21	587553058	FIOBQYZUWCQOIT-ZKQHCESOSA-N	387.440	2.178	0	1	GEAF	
O=C(Nc1ccc([C@@H]2C=c3ccccc3=N2)cc1)[C@@H]1CCCN1C1CCOCC1	64066936	CXJKVIWBJPBPQC-GOTSBHOMSA-N	389.499	2.424	0	1	GEAF	
CNc1cc(C(=O)O)nc2c(-c3ccc(F)cc3O)nc(N3CCOCC3)nc12	169698820	XNWQSYDGTXXZPG-UHFFFAOYSA-N	399.382	2.113	0	1	GEAF	
CC[C@H]1CN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2OC)CCN1	3826954	QNBJTZBMBAOFDX-NSHDSACASA-N	389.427	2.371	0	1	GEAF	
CC(=O)C[C@@H]1C(=O)[C@](O)(CO)[C@H]2CC[C@@](C)(C2)[C@H]1C=COC(=O)C=C(C)C	2356449720	VSXXXICJCOSCLJ-RNEDXHKXSA-N	378.465	2.334	0	1	GEAF	
COc1ccc(OC)c([C@@H]2CCN(S(=O)(=O)c3csc(C(N)=O)c3)C2)c1	7006240	JQZRZUDHDULXQX-LLVKDONJSA-N	396.490	2.042	0	1	GEAF	
COc1ccc(S(=O)(=O)N2CCN(C(=O)C[C@H]3C[C@H]4CC[C@@H]3C4)CC2)cc1	7805263	QRMGJWYOAAEHEU-GVDBMIGSSA-N	392.521	2.354	0	1	GEAF	
COC(=O)C1=C[C@H]2C3=C(NCCCN(C)C)c4ccccc4N(C)C3=N[C@H]2C=C1	103159104	NUJSRCRWUJUDHI-MSOLQXFVSA-N	392.503	2.455	0	1	GEAF	
COc1cc2nc(N(C)CCN(C)C(=O)c3ccccc3)nc(N)c2cc1OC	26500695	MPDWNXVTSMDZLP-UHFFFAOYSA-N	395.463	2.438	0	1	GEAF	
O=C(NCCc1ccccc1)[C@@H]1[C@@H]2C=C[C@]3(CN(Cc4cccs4)C(=O)[C@H]13)O2	102009098	XMSJWPKHWOLGJU-LMVRJCEZSA-N	394.496	2.389	0	1	GEAF	
COc1ccc(CCNC[C@H](O)COC(=O)c2ccc(F)cc2)cc1OC	25970330	CIPMWZRHLSAGAX-KRWDZBQOSA-N	377.412	2.193	0	1	GEAF	
C=C1C=C(C(=O)OCC)Oc2cc3c(c(OCCCO)c21)C[C@@H](C(C)(C)O)O3	85595061	BOSVNSCYUOGCGV-KRWDZBQOSA-N	390.432	2.375	0	1	GEAF	biogenic,in-vitro
O=C(c1cccnc1)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2C(=O)CC1CC1	95666811	XDZPGROQMOVQGA-PZJWPPBQSA-N	391.471	2.063	0	1	GEAF	
Cc1nn(-c2ccccc2)c2nc(C3CCN([C@H]4CCNC4)CC3)nc(O)c12	147360838	UZKQARBBUKXBTR-KRWDZBQOSA-N	378.480	2.371	0	1	GEAF	
O=C(c1cccc(F)c1)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2C(=O)C1CC1	95668603	ZQONAOIAYAYYIJ-VQTJNVASSA-N	394.446	2.417	0	1	GEAF	
C[C@H]1CC(=O)N([C@@H](C)C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1=O	653780485	NOTXGHKIODSVCM-STQMWFEESA-N	397.397	2.138	0	1	GEAF	
N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2ccc(S(N)(=O)=O)cc2[nH]1	587112767	NGCZJTKZFQTZJY-LBPRGKRZSA-N	384.383	2.472	0	1	GEAF	
NCCCn1c2ccccc2c2c3c(c4c(c21)CC[C@H](O)CC4)C(=O)NC3=O	5939925	QWQBZKFBTBWKBQ-GFCCVEGCSA-N	377.444	2.267	0	1	GEAF	
C[C@@H](C(=O)NC1[C@H]2CC3C[C@H]1CC(O)(C3)C2)N1CC(Oc2ccccc2F)C1	101064681	XNSQYEZFDGACIR-YILKSHEYSA-N	388.483	2.333	0	1	GEAF	
Cc1ccc(F)c(S(=O)(=O)NC(=O)[C@]2(C)CCN2C(=O)c2ccccc2)c1	61926822	GXBCICMZIFIPRZ-IBGZPJMESA-N	390.436	2.244	0	3	GEAF	
CN1C(=O)[C@]2(SC[C@H]3C(=O)N(Cc4ccccc4)C(=O)N32)c2ccccc21	66252506	TYGJLJLAZDILFL-OXJNMPFZSA-N	379.441	2.396	0	1	GEAF	
CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)CCO3)nc1	34949969	NJYWFNXAPNCGSF-UHFFFAOYSA-N	392.458	2.280	0	1	GEAF	
Cc1ccc(-n2nccn2)c(C(=O)N2[C@H]3CC[C@@H]2[C@H](COc2ccccn2)C3)n1	226050804	SPNVMISESJDLQJ-YESZJQIVSA-N	390.447	2.438	0	1	GEAF	
COCCn1c(=O)c(NCc2ccsc2)c2n(c1=O)[C@@H]1CCCC[C@H]1N2	82205684	HNRPBXGRCLKDHH-ZIAGYGMSSA-N	376.482	2.239	0	1	GEAF	
Cc1ccc(S(=O)(=O)N2N=C(c3ccccc3)c3ccccc3B2O)cc1	195058250	WAQMOYFBEWTAST-UHFFFAOYSA-N	376.246	2.139	0	1	GEAF	
CO[C@H]1CCN(c2ccc(-c3c(C)nc4c(N5CCOCC5)nccn34)cn2)C1	146878544	JPGGKLPCEFNAID-KRWDZBQOSA-N	394.479	2.161	0	1	GEAF	
CC(=O)OC[C@@]1(C)[C@H](O)CC[C@@]2(C)[C@@H]3CC[C@@H]4C[C@]3(C=C4CO)[C@@H](O)C[C@H]21	238767958	FRDLKANXGVGBKH-RHPYJLKMSA-N	378.509	2.433	0	1	GEAF	
Cc1ccc(N2C(=O)N[C@H]3CCN(S(=O)(=O)c4ccc(C)cc4)[C@H]3C2=O)cc1	36362592	VETJTIKUZRTXNZ-ZWKOTPCHSA-N	399.472	2.191	0	1	GEAF	biogenic
CCOC(=O)c1c(NC(=O)C[C@@H]2SC(=N)NC2=O)sc2c1CCSC2	653794103	NWUWNIDFNUNWCY-QMMMGPOBSA-N	399.519	2.209	0	1	GEAF	
O=S(=O)(NC[C@H]1CCCO1)c1ccc(-c2nc3ncnc(Cl)c3[nH]2)cc1	586947408	XTXQECNSLJBLCJ-LLVKDONJSA-N	393.856	2.131	0	1	GEAF	
O=S(=O)(c1ccc2nc([C@H]3C[C@@H](O)c4ccccc43)[nH]c2c1)N1CCOCC1	586900945	FNYNQGUHICDYOX-QFBILLFUSA-N	399.472	2.153	0	1	GEAF	
CC(=O)c1ccc(CN(CC(=O)O)Cc2ccc(C(=O)O)c(C(=O)O)c2)cc1	1772643012	VSDJSNKNRDLTPA-UHFFFAOYSA-N	385.372	2.372	0	1	GEAF	
Cn1ccc(CC(=O)N2CCC[C@@H]2C(=O)Nc2cccc(-n3cccn3)c2)c1	12711584	JOQSZPMWFSDOFV-LJQANCHMSA-N	377.448	2.383	0	1	GEAF	
Cc1cc(C)n(-c2cc(NC(=O)CN3CCOCC3)nc(-c3ccc(C)o3)n2)n1	14975546	ABOTXPKVARXPFD-UHFFFAOYSA-N	396.451	2.118	0	1	GEAF	
CC(=O)O[C@H](C)Cn1cnc2c(Cl)nc(I)nc21	28635928	RDRHNTZLYUANOF-RXMQYKEDSA-N	380.573	2.036	0	1	GEAF	
COC(=O)COc1ccc(OC[C@@H](C)NC[C@H](O)COc2ccccc2)cc1	29468608	JEELBBUJXGIBEN-SJORKVTESA-N	389.448	2.035	0	1	GEAF	
CC1CCC([C@H](NC(=O)c2ccccc2)C(=O)N2CC[C@H]3OCC(=O)[C@H]32)CC1	96174259	MZMUFCSCXROGTF-BURCVLKOSA-N	384.476	2.180	0	1	GEAF	
COc1ccc(-c2c(C(N)=O)nnn2-c2cc(OC)c(OC)c(OC)c2)cc1	103230362	GZOVKXTXKMUHLY-UHFFFAOYSA-N	384.392	2.068	0	1	GEAF	
CSc1ccccc1/C=C/S(=O)(=O)Nc1ccccc1S(N)(=O)=O	147491176	VSFZNUXMYZEATD-ZHACJKMWSA-N	384.504	2.469	0	1	GEAF	
COCCCn1ncc2ccc([C@@H](C)N(C(=O)[C@H]3CNCCO3)C3CC3)cc21	216034177	GENLPJXAFKQZEP-FOIQADDNSA-N	386.496	2.113	0	1	GEAF	
COc1ccc([C@@H]2C3=C(COC3=O)N(CCO)c3cc(OC)c(OC)cc32)cc1	299822996	JDSDHMUTMZHDTP-FQEVSTJZSA-N	397.427	2.468	0	1	GEAF	
Cc1[nH]c(/C=C2\C(=O)Nc3ncc(Cl)cc32)c(C)c1C(=O)NCCN(C)C	473247767	HVXFKFCLEHTNKF-ZSOIEALJSA-N	387.871	2.464	0	1	GEAF	
O=C1C[C@@H](Cc2nc3cnnc(O)c3[nH]2)c2c(Br)cccc2O1	587003342	KCMXCEHLTMWMMI-SSDOTTSWSA-N	375.182	2.456	0	1	GEAF	
O=C(Cc1ccccc1)NCCc1nc2ccc(CN3CCOCC3)cc2[nH]1	587227909	BEQKBKPTZCAIRA-UHFFFAOYSA-N	378.476	2.297	0	1	GEAF	
Cc1c(O)ccc2c1[C@](Cc1ccc3ccccc3n1)(C(=O)O)N[C@H](C(=O)O)C2	963547935	CDQBLSOUSYNCSJ-HTAPYJJXSA-N	392.411	2.370	0	1	GEAF	
CC(=O)N[C@@H]1CCN(C[C@H]2CC[C@H](c3nnn4cnc5[nH]ccc5c34)CC2)C1	1772608998	VAMYQOUPUFFEEZ-BZUAXINKSA-N	381.484	2.090	0	1	GEAF	
C[C@@]1(CO)CN(Cc2ccccc2)C[C@H]2CN(C(=O)c3ccccc3F)CCN21	2356302861	HAECDLCMLRCQES-CVDCTZTESA-N	397.494	2.219	0	1	GEAF	
CC=C1CN2CC[C@@]34C(=Nc5ccc(OC)cc53)[C@H]2C[C@H]1[C@]4(CO)C(=O)OC	2356387136	JBFBTBFJYNNYPW-IODINVCISA-N	382.460	2.225	0	1	GEAF	
COc1cc2c(cc1OC)[C@H](c1ccc3c(c1)OCO3)[C@@H]1C(=O)OC[C@H]1[C@@H]2O	2356553808	DUQMFJLPYJQVDV-ZNYHDOEXSA-N	384.384	2.401	0	1	GEAF	
CCCCCCN1CCN([C@H]2CN(Cc3ccccc3)S(=O)(=O)C2)CC1	72136164	NWMRBVLANLJULX-FQEVSTJZSA-N	379.570	2.399	0	3	GEAF	
CC=C(C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(O)C[C@@H]2CCC[C@H](C(=O)O)[C@@]21C	2356411750	XZBCMOCFJJECSB-RDWBPMFVSA-N	378.421	2.337	0	1	GEAF	
C[C@H]1CCCN(CCCNC(=O)Cn2ncc3c([nH]c4ccccc43)c2=O)C1	6937448	WMAPIHGJTPJUGN-HNNXBMFYSA-N	381.480	2.116	0	1	GEAF	
COC(=O)C1=C[C@@H]2C3=C(NCCN(C)C)c4ccccc4N(C)C3=N[C@@H]2C=C1	103159093	GJYQWSSTCFYAOL-DLBZAZTESA-N	378.476	2.065	0	1	GEAF	
CC(=O)O[C@@H]1C[C@]2(C)[C@@H]3CCc4cocc4[C@]3(CO)CC[C@@H]2[C@@](C)(CO)[C@@H]1O	2356794848	IDJRJSOIZLZZJY-AKQYMVAGSA-N	392.492	2.183	0	1	GEAF	
CC(C)Nc1ncnc2c1ncn2[C@H]1CN(Cc2ccccc2)C[C@@H](CO)O1	61927726	DQGHQZDCAFACRV-DLBZAZTESA-N	382.468	2.039	0	3	GEAF	
C[C@H]1[C@@H]2Cc3c(oc4cc(O)cc(O)c4c3=O)-c3c(O)cc(O)c(c32)O[C@H]1O	14856706	JWEDLHAANQXQMP-VKUHFZAESA-N	384.340	2.269	0	1	GEAF	biogenic
CC(C)Oc1ccc2[nH]nc(-c3cc(N4CC(S(C)(=O)=O)C4)ncn3)c2c1	225557140	UUKPQTDUMBHHER-UHFFFAOYSA-N	387.465	2.040	0	1	GEAF	
CCCCNC(=O)[C@@H](NC(=O)c1ccc2c(c1)OCO2)C(=O)c1ccccc1	199243255	KWKWIPYZEWKIAJ-SFHVURJKSA-N	382.416	2.313	0	3	GEAF	
COc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2cn(C)c(=O)cn2)nc1	222636540	PXLWZYNNAVDGFK-HIFRSBDPSA-N	379.420	2.132	0	1	GEAF	
COCc1ccccc1NS(=O)(=O)c1ccc(C)c(N2CCNCC2)c1	95574120	RFVGCLFTYQHKNZ-UHFFFAOYSA-N	375.494	2.352	0	1	GEAF	
CCCCCN(C(=N)N)[C@H]1CC(C(=O)O)=C[C@@H](OC(CC)CC)[C@@H]1NC(C)=O	299820938	DCOVCPHGKHWFHJ-RCCFBDPRSA-N	396.532	2.234	0	1	GEAF	
CC(=O)N[C@@H](Cc1nc2c(O)ncnc2[nH]1)c1ccc(Br)cc1	586986464	XTEMYUMPYYADGC-NSHDSACASA-N	376.214	2.241	0	1	GEAF	
NS(=O)(=O)c1ccc2[nH]c(-c3cccn4c(Br)cnc34)nc2c1	587008780	WTQWNIRBOLJJKT-UHFFFAOYSA-N	392.238	2.288	0	1	GEAF	
O=C(O)Cn1cc(I)c(-c2nc3c(F)cccc3[nH]2)n1	587184912	GOUODVFQBORHAX-UHFFFAOYSA-N	386.124	2.255	0	1	GEAF	
COc1ccc2c(c1OC)[C@](CS(=O)(=O)N(C)C)(C(C)C)N(C)[C@@H](C)C2	962628662	MNRIENAUONWLSN-LIRRHRJNSA-N	384.542	2.323	0	1	GEAF	
NC(=O)C(F)(F)C(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1	26573795	MCOPTZNLNORUTI-OAHLLOKOSA-N	376.359	2.214	0	1	GEAF	
COc1ccc(Cc2cc([C@@H]3O[C@H](CO)C[C@H](O)[C@H]3O)ccc2Cl)cc1	35900753	CIUDTKUKRLRUOR-FFGOWVMKSA-N	378.852	2.484	0	1	GEAF	
COCCn1c(=O)c(NCCC(C)C)c2n(c1=O)C[C@H](Cc1ccccc1)N2	82205171	WBPVFJGLHYSOFK-KRWDZBQOSA-N	386.496	2.151	0	1	GEAF	
Cc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2ccc3[nH]cnc3c2)c1	114079608	WLIVFTPRFJQPPD-UHFFFAOYSA-N	375.436	2.332	0	1	GEAF	
O=C(NN1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31)c1ccccc1Br	168708210	OLFJAAPWKAVFKS-JRNUYWEUSA-N	387.233	2.147	0	1	GEAF	
COC(=O)[C@@]1(C)N[C@H](c2ccc(F)cc2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21	169294132	MMTCGVFQEZEANG-LHUKNYEISA-N	382.391	2.208	0	1	GEAF	
COCCn1cc(-c2c(C(F)(F)F)nc3c(N4CCOCC4)nccn23)cn1	169333446	MSSQPCDVJOLFKO-UHFFFAOYSA-N	396.373	2.095	0	1	GEAF	
Nc1nc(O)c2nc(-c3csc(=Nc4cccc5ncccc45)[nH]3)[nH]c2n1	587018393	YOFDJBSIFPZLKH-UHFFFAOYSA-N	376.405	2.478	0	1	GEAF	
C[C@@]1(C2CC2)c2cc(O)ccc2C[C@@H](C(=O)O)N1C(=O)[C@@H](N)Cc1ccccc1	963728631	HDOYOMHWHLDJBI-SXWKCWPCSA-N	394.471	2.425	0	1	GEAF	
Cc1nc(-c2ccco2)cc([C@@H]2CN3CC[C@H]2C[C@@H]3CNC(=O)CCC(=O)O)n1	2356809434	AQSSFCKXYOXDJC-ARFHVFGLSA-N	398.463	2.204	0	1	GEAF	
Cn1cnnc1SCC(=O)N[C@H]1CCCN(Cc2ccc(Cl)cc2)C1	15062375	PASQABFEWAPNQO-HNNXBMFYSA-N	379.917	2.341	0	3	GEAF	
C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1CC[C@@H]2NC(=O)[C@@H](N)CO	263591548	QPFKAJPAZADUGH-UCEOJRNRSA-N	376.541	2.115	0	3	GEAF	
CN(C)C(=O)CN1CCC(n2cc(-c3cccc(O)c3)c3c(N)ncnc32)CC1	590739	HUZDGCVNDDSQGA-UHFFFAOYSA-N	394.479	2.111	0	1	GEAF	
C[C@@H]1[C@@H](O)Oc2c(O)cc(O)c3c2[C@H]1Cc1c-3oc2cc(O)cc(O)c2c1=O	13373214	JWEDLHAANQXQMP-ZDGQDVPWSA-N	384.340	2.269	0	1	GEAF	biogenic
COC(=O)c1ccc(S(=O)(=O)Oc2ccc(/C=C/[N+](=O)[O-])cc2)cc1O	13823388	OZJIJKIJHCJHHV-CMDGGOBGSA-N	379.346	2.194	0	1	GEAF	
C[C@H]1CN(CCn2cnnn2)CC[C@@H]1N(C(=O)c1ccco1)c1ccccc1F	26733785	PBLWMPGMKFCGTH-RDJZCZTQSA-N	398.442	2.463	0	1	GEAF	
COCCc1ccc(OC[C@@H](O)CN[C@@H](C)[C@@H](O)c2ccc(O)cc2)cc1	28469541	KVDVMDRYKYWOAE-PAXLWEDBSA-N	375.465	2.033	0	1	GEAF	
O=C(CC[C@H](CC(=O)C(=O)O)C(=O)O)NCC(c1ccccc1)c1ccccc1	40429344	FDMSUFMIVDNICF-QGZVFWFLSA-N	397.427	2.460	0	1	GEAF	
CC(=O)N1CCN(C(=O)Nc2ccc(N3CC[C@@H](N4CCC[C@H]4C)C3)cc2)CC1	59260775	BCCVUKGKQRRJOM-DYESRHJHSA-N	399.539	2.446	0	1	GEAF	
CCCn1c(=O)c(NC(=O)c2ccco2)c2n(c1=O)C[C@H](Cc1ccccc1)N2	82205533	OUVPAFFINYPAFH-HNNXBMFYSA-N	394.431	2.302	0	1	GEAF	
CCCNC(=O)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2Cc1ccccn1	95794678	YGYMJHANAHVBIU-WOJBJXKFSA-N	380.492	2.216	0	1	GEAF	
CCNC(=O)Nc1ccc(-c2nc(N3CCOC[C@H]3C)c3c(ncn3C)n2)cc1	96283258	VNORXAXGKIUEIT-CYBMUJFWSA-N	395.467	2.397	0	1	GEAF	
CC1=NC(=O)N[C@@H](c2ccc(S(C)(=O)=O)cc2)[C@@H]1C(=O)OC1CCCC1	169719465	DAJJZZNDYPYDRI-CVEARBPZSA-N	378.450	2.417	0	1	GEAF	
Cc1cnc(CNc2cc(OC[C@H]3C[C@@H]3c3ccn(C)n3)nn(C)c2=O)s1	217642877	RAKXFHBXDYEKCX-OLZOCXBDSA-N	386.481	2.073	0	1	GEAF	
O=C(NCc1ccccc1)[C@H]1[C@H]2C=C[C@@]3(CN(Cc4cccs4)C(=O)[C@H]13)O2	250644032	IILVDRCTCCJXCW-WKRCXCSHSA-N	380.469	2.347	0	1	GEAF	
COCc1nn(C)cc1C(=O)c1c(CO)oc2cc(Br)cnc12	587275953	HSXXVXDFZPOSKU-UHFFFAOYSA-N	380.198	2.194	0	1	GEAF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(NCC(=O)O)nc2)N1	587752582	DSQNCCMPQINWIA-GLEZIHRCSA-N	395.232	2.498	0	1	GEAF	
CCOC(=O)c1c([C@@H]2N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)cnn1C	962727970	BMVWBUQKYWZSCO-UONOGXRCSA-N	381.354	2.332	0	1	GEAF	
Cc1ccnc2c1CCN[C@H]2[C@@H]1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1	963069496	NAINMHSJJPQVGL-QAPCUYQASA-N	388.512	2.340	0	1	GEAF	
COC(=O)Cc1ccc(OC[C@@H](O)CN2CCN(c3ccccc3C)CC2)cc1	1857647723	MKDLOHRBMAELGX-FQEVSTJZSA-N	398.503	2.272	0	1	GEAF	
COc1cccc(CN2CCOC[C@@H](Oc3ccc(S(C)(=O)=O)cc3)C2)c1	2356299186	AZBMASWUYNLFDG-IBGZPJMESA-N	391.489	2.379	0	1	GEAF	
CCOCCCNC(=O)CN1[C@H]2CC[C@H]1CC(O)(c1ccc(OC)cc1)C2	100982687	DIAVWUQFNLVZPY-ROUUACIJSA-N	376.497	2.052	0	3	GEAF	
Cc1nc(C)c2c(n1)O[C@H](Cn1ncc(N3CCc4ccccc4C3)cc1=O)C2	20869069	YZQGCQCQURKEHC-IBGZPJMESA-N	389.459	2.217	0	1	GEAF	
C[C@@H](N)[C@H]1CCN(c2c(F)c(N)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C1	27997574	SQCBNHVQFOMYMV-BDAKNGLRSA-N	392.406	2.069	0	1	GEAF	
CN(C)C[C@@H]1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2N)C1	28110636	GGLADKPXXILOHS-NSHDSACASA-N	388.443	2.144	0	1	GEAF	
COC(=O)c1ccccc1OC[C@@H](O)CNCCc1ccc(OC)c(OC)c1	39377351	WJQYLQJHTIDOJN-INIZCTEOSA-N	389.448	2.062	0	1	GEAF	
CC1(C)Oc2cc(O)ccc2[C@H]2C1=CCn1c(=O)n(Cc3ccccc3)c(=O)n12	72107611	CXUYSEPLEXRONV-IBGZPJMESA-N	391.427	2.266	0	1	GEAF	
CC(=O)N1CCN(CC(=O)c2ccc(OCCCN3CCC[C@H]3C)cc2)CC1	84705230	MQROJBFPDOVWEY-GOSISDBHSA-N	387.524	2.287	0	1	GEAF	
CCC(=O)Nc1ccc2c(c1)OC[C@H](C)NC[C@H](C)[C@@H](OC)CN(C)C2=O	95688586	ACBVZQMFXFPRGI-DEYYWGMASA-N	377.485	2.129	0	1	GEAF	
CC1=N[C@@]2(O)c3ccccc3C(=O)[C@]2(O)/C1=C(\O)OCCOc1ccccc1	103935018	JMRKCJPKRQWYDT-OADSPKGTSA-N	381.384	2.099	0	1	GEAF	
C[C@H](Nc1ccccc1)c1cc(C(=O)O)cn2c(=O)cc(N3CCOCC3)nc12	299825272	FFPYSWFIIWOKHH-AWEZNQCLSA-N	394.431	2.402	0	1	GEAF	
CNC(=O)c1ccccc1Nc1nc(Nc2ccc(CN)cc2)n2ccnc2n1	299866093	OJEASMUHAPVMPC-UHFFFAOYSA-N	388.435	2.430	0	1	GEAF	
CC(C)(C)OC(=O)Nc1nnc(Cc2nc3c(S)nc(S)nc3[nH]2)s1	587023753	HGWDMBIUEIJJRI-UHFFFAOYSA-N	397.511	2.720	0	1	GEAF	
COC(=O)C1=C2CCCCCN2C(=O)C[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3	587438307	NFELDTSGOZBLMA-JLCFBVMHSA-N	397.427	2.415	0	1	GEAF	
CCN(CC)c1ccc(-c2nn(C(=O)C(=O)OC)c(=O)c3ccccc23)c(O)c1	587667588	PNAWJIXNWXHCRF-UHFFFAOYSA-N	395.415	2.429	0	1	GEAF	
COC[C@]1(O)CC[C@@H]2C1=C[C@@]1(O)O[C@@H](CC3=C(C(C)C)C(=O)O[C@@]31C)[C@@H]2C	2356326240	VORAYVCCQFEERK-DKBDVEQNSA-N	378.465	2.096	0	1	GEAF	
CNC(=O)[C@@H](NC(=O)c1nc(-c2ccccc2)n2c1CN(C)CCC2)C(C)(C)C	115394714	NIHGAEUTNGSLEZ-GOSISDBHSA-N	397.523	2.276	0	1	GEAF	
OC[C@H]1O[C@@H](n2c(Br)cc3cc(Cl)c(Cl)cc32)[C@H](O)[C@@H]1O	38796666	TYTULTUOEJHWLH-OJAKKHQRSA-N	397.052	2.322	0	1	GEAF	
CCCNC(=O)[C@@H](C)N1C(=O)N2CCc3c([nH]c4ccc(OC)cc34)[C@]2(C)C1=O	6398277	IFTPVFAFLUPTIJ-XUSGNXJCSA-N	398.463	2.127	0	1	GEAF	biogenic
CC(=O)OCCOCn1nc(C(N)=O)nc1Sc1ccc(C(C)(C)C)cc1	49045282	ZQNMYEWDHMFPMA-UHFFFAOYSA-N	392.481	2.363	0	1	GEAF	
CC(/C=C/C(=O)NCCS(=O)(=O)O)=C\[C@@H](C)C(=O)c1ccc(N(C)C)cc1	84614534	PFWJROBANCEKNL-VVSSWBOGSA-N	394.493	2.078	0	1	GEAF	
COCCNc1ccc2c(c1)nc(Cc1ccc3c(c1)OCO3)n1nc(N)nc21	145002545	GVGRBQBDCRQHQS-UHFFFAOYSA-N	392.419	2.238	0	1	GEAF	
Cc1ccc(-n2nccn2)c(C(=O)N2[C@H]3CC[C@H]2[C@@H](COc2ccccn2)C3)n1	473179566	SPNVMISESJDLQJ-IKGGRYGDSA-N	390.447	2.438	0	1	GEAF	
CCOC(=O)[C@@H]1CNCC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12	587797391	SHLBVJAFDPHDIX-MOCULFSLSA-N	385.277	2.490	0	1	GEAF	
COc1cc2c3c(c1)O[C@H](C1CCN(S(=O)(=O)C4CC4)CC1)[C@@H](C2)C3=O	587447740	FEIZBQCUBZKSAH-HNAYVOBHSA-N	377.462	2.015	0	1	GEAF	
CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2cc3c(cc2[nH]1)OCC(=O)N3	587194122	LZAPRGRFAFXFFX-LLVKDONJSA-N	389.456	2.411	0	1	GEAF	
CCOC(=O)[C@H](C(C)C)[C@@]1(C(=O)OCC)N[C@H](C(=O)O)Cc2cc(F)ccc21	962903258	UFGWMXSCQSNZSN-FTRWYGJKSA-N	395.427	2.018	0	1	GEAF	
Cc1ncsc1C(=O)N1CCC[C@@H](CNS(=O)(=O)c2cccs2)C1	12386972	SLMWKTVDOFCKEO-LBPRGKRZSA-N	385.536	2.344	0	3	GEAF	
Cn1cc(-c2cc3c(-c4cccc(N5CCC[C@@H](O)C5)n4)n[nH]c3cn2)cn1	205244433	SCICSUQDLRSZHW-CQSZACIVSA-N	375.436	2.382	0	1	GEAF	
CN1CCN(c2ncc3nc(-c4ccc(F)cc4)c(=O)n(C4CC4)c3n2)CC1	4238947	KYLRTXQPNKQOAM-UHFFFAOYSA-N	380.427	2.079	0	1	GEAF	
C[C@H]1CN(c2cccc3ccccc23)CCN1CN1CC(=O)N2CCC[C@H]2C1=O	13642282	RHPMSRVAUFLOEW-UWJYYQICSA-N	392.503	2.141	0	1	GEAF	
CCc1nc2n(c1C(=O)NN1CCNCC1)CCN2c1c(C)cc(C)cc1C	28351686	YKROORXKXCHMIC-UHFFFAOYSA-N	382.512	2.072	0	1	GEAF	
COC(=O)C1=C[C@H](O)[C@H](O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@@]12C	38252977	RHWBUPDTXIHKGT-MNHBTNRSSA-N	390.432	2.141	0	1	GEAF	
CCOC(=O)Nc1nc2c(N)nc(OCCOC)nc2n1Cc1ccccc1	40566846	COVJJAQWAXKAQA-UHFFFAOYSA-N	386.412	2.050	0	1	GEAF	
COc1cc(C=O)ccc1OC[C@](O)(Cn1cncn1)c1ccc(F)cc1F	72116240	JTCIPJUGGQOEFY-LJQANCHMSA-N	389.358	2.344	0	1	GEAF	
CC(C)NC(=O)N1[C@@H](CO)[C@H](c2ccccc2)[C@@H]1CN(C)C(=O)c1ccncc1	95894832	KPHVTGIVUOUIIJ-SLFFLAALSA-N	396.491	2.101	0	1	GEAF	
CS(=O)(=O)Oc1cccc(CN2CCN(C(=O)Nc3ccccc3)CC2)c1	200261702	JRZPCVUCSYSUEU-UHFFFAOYSA-N	389.477	2.375	0	1	GEAF	
COCCCOc1cc(C)cc([C@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)c1	221693412	ZYOFITUPGLXYMZ-OXJNMPFZSA-N	376.497	2.451	0	1	GEAF	
CC1=C(c2ccc3nc([C@H](C)Sc4nc(N)cc(O)n4)[nH]c3c2)NNC(=O)C1	586962129	OPPXJLAVFMCCSQ-VIFPVBQESA-N	397.464	2.250	0	1	GEAF	
COc1cc2c3c(c1)O[C@](C)(c1ccc(O)c(NS(C)(=O)=O)c1)[C@@H](C2)C3=O	587448617	KOGLBSVAIRYUEQ-ORAYPTAESA-N	389.429	2.435	0	1	GEAF	
C[C@@H]1Cc2cc(Br)c(F)cc2C2(C=C(C(=O)O)OC(C(=O)O)=C2)N1	587831672	IQQNJKDUXBKNBH-SSDOTTSWSA-N	398.184	2.285	0	1	GEAF	
CCOc1cc(-c2cccc(F)c2)nn1C(=O)C1CCN(S(C)(=O)=O)CC1	587871978	GEGJHZSQDQQGLF-UHFFFAOYSA-N	395.456	2.400	0	1	GEAF	
C=CC(=O)NC[C@@H]1CCNc2c(C(N)=O)c(-c3ccc(OCC4CC4)cc3)nn21	1772598014	LPBKPSUKUNQACV-HNNXBMFYSA-N	395.463	2.097	0	1	GEAF	
O=C(COc1ccccc1)N[C@@H]1[C@H](c2ccc(C(F)(F)F)cc2)C[C@@H](O)[C@H]1O	2356305218	QAZSZHHGACIRAI-QFHJOOASSA-N	395.377	2.478	0	1	GEAF	
COc1cc([C@@H]2C3=C(O)CCCC3=Nc3c2c(=O)n(C)c(=O)n3C)ccc1O	104025291	GBUFOXMQZUQCOM-OAHLLOKOSA-N	383.404	2.012	0	1	GEAF	
C[C@@H]1C[C@@]23C[C@H]1CC[C@@H]2[C@]1(C(=O)O)CC[C@H](O)[C@](C)(C(=O)O)[C@@H]1[C@H]3C(=O)O	2356663366	CQDCLVASIPBLIZ-BDEUTHHQSA-N	380.437	2.076	0	1	GEAF	
Cn1cnc2c(NCCNCCO)nc3sc(-c4ccc(F)cc4)nc3c21	40836343	KMSKRTSNTUEYNV-UHFFFAOYSA-N	386.456	2.378	0	1	GEAF	
CCSCCn1c(=O)c2[nH]c(-c3ccccc3)nc2n(CCCOC)c1=O	43078184	GYUGHCOUIJAAII-UHFFFAOYSA-N	388.493	2.343	0	1	GEAF	
NC(=O)c1cc(C(=O)N2CCC2)cc2c1-c1ccccc1[C@@]2(O)C(F)(F)F	144735515	BNKOVSSSFWJDGP-SFHVURJKSA-N	376.334	2.410	0	1	GEAF	
O=C(c1ccccn1)N1CC2(C1)[C@@H](c1ccccc1)[C@H](CO)N2C(=O)CC1CC1	95794486	RFUYWTCVOSCMIJ-FPOVZHCZSA-N	391.471	2.063	0	1	GEAF	
CC(C)c1cn(CC[C@H]2CC[C@H](NC(=O)C3CCCCC3)[C@H](CO)O2)nn1	95904420	IVOJAZGHNQZOGY-AOIWGVFYSA-N	378.517	2.397	0	1	GEAF	
COc1ccc(NC(=O)[C@@H]2OC(c3cccs3)=NN2C(C)=O)cc1OC	299852814	XXTQLFJQACJDMA-KRWDZBQOSA-N	375.406	2.270	0	1	GEAF	
NS(=O)(=O)c1ccc(CCc2nc3cc(Br)ncc3[nH]2)cc1	586929727	HXBBLPHPIAEKLQ-UHFFFAOYSA-N	381.255	2.153	0	1	GEAF	
NS(=O)(=O)c1ccc2nc(Cn3nc(C(F)(F)F)cc3C3CC3)[nH]c2c1	587116910	CBPFWXUMFTWNLY-UHFFFAOYSA-N	385.371	2.351	0	1	GEAF	
COC(=O)c1cc2nc([C@@H](C)NC(=O)c3cc4c(C)nn(C)c4s3)[nH]c2cn1	587037962	OJTRABIRBJWKKR-SECBINFHSA-N	398.448	2.492	0	1	GEAF	
COc1cc([C@H]2N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)c(OC)c(OC)n1	963225355	JWOGRGMWWVHRFU-SJLPKXTDSA-N	395.415	2.344	0	1	GEAF	
COc1ccccc1OCC(=O)NC[C@H]1CCCN(Cc2cnn(C)c2C)C1	12717601	YPNHLIVQGDCBEF-QGZVFWFLSA-N	386.496	2.144	0	3	GEAF	
Cn1nc(C(=O)N2CC[C@H](F)C2)c2ccc(N=c3[nH][nH]c4cccnc34)cc21	1857767322	HDOUYWYJYQRUQW-NSHDSACASA-N	379.399	2.194	0	1	GEAF	
CN(C)c1ccc(C(=O)N2CCN3C(=O)N(C4CCCCC4)C(=O)[C@H]3C2)cc1	3842126	OPGIXKDSHKRSSZ-GOSISDBHSA-N	384.480	2.174	0	1	GEAF	biogenic
O=C(c1ccc(F)cc1)[C@H]1[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@@H]2C=CC=NN21	15974956	ZDSCWXSPRITZTJ-WJFTUGDTSA-N	389.386	2.423	0	1	GEAF	
COc1cc(C[C@H](CO)[C@@H](CO)Cc2cc(OC)c(O)c(OC)c2)ccc1O	33832539	AMVHSCBIZLVSPF-HZPDHXFCSA-N	392.448	2.126	0	1	GEAF	biogenic
CC[C@H](CO)NC(=O)c1noc(-c2ccc(C(F)(F)F)c(F)c2)c1CO	72176640	VTKFNIGSZMDOSC-SECBINFHSA-N	376.306	2.493	0	1	GEAF	
CNC(=O)N(C)Cc1cccc(-c2cc3c(nc(NC)c4ncn(C)c43)[nH]2)n1	73390760	YPCIUWWEHGOPNN-UHFFFAOYSA-N	378.440	2.325	0	1	GEAF	
CCCn1c(=O)c(NC(=O)CCc2cccnc2)c2n(c1=O)[C@@H]1CCCC[C@H]1N2	82205962	DOBCRTFVSUJQDI-HZPDHXFCSA-N	397.479	2.296	0	1	GEAF	
C[C@@H]1CNc2c(NC(=O)c3ccccc3)c(=O)n(Cc3ccc(F)cc3)c(=O)n21	82212638	MNMKGHFOMNJNFG-CYBMUJFWSA-N	394.406	2.436	0	1	GEAF	
O=C(C1CC1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4ccccc4F)cc3)[C@H]2C1	95797497	QETWDIOFYADYNM-KCZVDYSFSA-N	394.446	2.400	0	1	GEAF	
CS(=O)(=O)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(C4=CCCC4)cc3)[C@@H]2C1	95874368	OWYGSFSXNSOHTM-ACRUOGEOSA-N	390.549	2.438	0	1	GEAF	
CCCN1[C@H](C(=O)OC)[C@@H](CO)[C@@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@@H]21	95878962	RGZZTHBAZXQIBF-XEYPJELSSA-N	386.492	2.352	0	1	GEAF	
NC(=O)C1CN(C(=O)c2ccc3c(c2)[C@@](O)(C(F)(F)F)c2ccccc2-3)C1	144716570	DSUKDJQYYDXGDM-GOSISDBHSA-N	376.334	2.023	0	1	GEAF	
NS(=O)(=O)c1ccccc1NS(=O)(=O)CCc1ccc2ccccc2c1	147504893	ZALQZIYUAXUPTH-UHFFFAOYSA-N	390.486	2.472	0	1	GEAF	
Cc1nn(C)c(O)c1C(=O)c1ccc2c(c1)n(Cc1ccccc1)c(=O)n2C	299869040	TUUUVVKJIGUYSN-UHFFFAOYSA-N	376.416	2.367	0	1	GEAF	
CC(=O)N[C@H](CSCc1ccccc1)c1nc2c(O)nc(S)nc2[nH]1	586973470	OSHGPHKCYRMAHU-LLVKDONJSA-N	375.479	2.458	0	1	GEAF	
CS(=O)(=O)N1CC[C@@H](CC(=O)O)[C@H](Cc2nc3cccc(Cl)c3[nH]2)C1	2356611249	PWHYGTWPEYTLLQ-WDEREUQCSA-N	385.873	2.131	0	1	GEAF	
C[C@@H]1C[C@@]23C[C@H]1CC[C@@H]2[C@]1(C(=O)O)CC[C@H](O)[C@](C)(C(=O)O)[C@@H]1[C@@H]3C(=O)O	2356663367	CQDCLVASIPBLIZ-HKUIJPRXSA-N	380.437	2.076	0	1	GEAF	
CC(C)CN1CCC[C@H]1c1nc(C2=C[C](N3CCC(C(N)=O)CC3)NC=C2)no1	2356843236	BTAGSHVUSSLGLR-KRWDZBQOSA-N	399.519	2.050	0	1	GEAF	
C[C@@]1(C(=O)NCc2ccco2)Cc2c(-c3ccc(C(N)=O)cc3)ccnc2O1	61930875	CLURSSCMPGLBOG-NRFANRHFSA-N	377.400	2.451	0	3	GEAF	
CO[C@@H]1C[C@](C)(NC(=O)C(F)(F)F)[C@@H]2O[C@@H](c3ccccc3)OC[C@@H]2O1	17257719	JSDNZWQQFHOALK-HAFSJTIUSA-N	375.343	2.299	0	1	GEAF	
O=C(O)c1cncc(-c2cnc(Nc3cc(N4CCNCC4)ccn3)s2)c1	34839072	XBOYDJMJOONFFV-UHFFFAOYSA-N	382.449	2.452	0	1	GEAF	
OCc1cnn(-c2ccc(N3CCC(N4CCc5ccc(F)cc54)CC3)nn2)c1	103242930	WNXJRFBAPGDJPB-UHFFFAOYSA-N	394.454	2.325	0	1	GEAF	
COc1cc(OC)nc(N2C(=O)CS[C@@H]2c2c(OC)cccc2OC)n1	169351046	ORIUXVBZWDMSIA-MRXNPFEDSA-N	377.422	2.290	0	1	GEAF	
CC(C)(c1ccc(C(N)=O)cn1)[C@@H](O)OCc1conc1-c1ccc(F)cn1	169707495	ADFOVFQKGCCYAY-SFHVURJKSA-N	386.383	2.182	0	1	GEAF	
COc1cc2c3c(c1)O[C@](C)(c1cnc4cc(C(=O)O)nn4c1C)[C@@H](C2)C3=O	587436192	NAJMLPXUSZRQLL-YUNKPMOVSA-N	379.372	2.407	0	1	GEAF	
COc1cc2c3c(c1)O[C@](C)(c1cnc4c(C(=O)O)cnn4c1C)[C@@H](C2)C3=O	587436363	ONSAZTLLRSGJMB-RBZFPXEDSA-N	379.372	2.407	0	1	GEAF	
COc1ccccc1O[C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)OCO3)C1	1259846623	FFOHPODZUSMLEU-CYBMUJFWSA-N	377.418	2.266	0	1	GEAF	
Cc1ccc([C@H]2C3=C(COC3=O)Nc3c2c(O)nc(=O)n3CC(F)(F)F)cc1	1772632802	JNPLKPXUKXLWKV-NSHDSACASA-N	393.321	2.188	0	1	GEAF	
Cc1ccc(C(C)C)cc1OC(=O)CCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)O	1857556041	MEWVZSKQOZZNFM-INIZCTEOSA-N	387.436	2.339	0	1	GEAF	
CCC(C)=CC(=O)O[C@@H]1C=C(C(=O)OC)C[C@@H](OC(=O)C=C(C)CC)[C@@H]1O	2356606123	DNOICGYKMBYMBW-GPMSIDNRSA-N	380.437	2.387	0	1	GEAF	
CC1(C)Oc2ccc(CC3=C(c4ccc(O)cc4)C(=O)NC3=O)cc2C[C@@H]1O	2356873624	YHHDGTNLHGFAIJ-SFHVURJKSA-N	379.412	2.119	0	1	GEAF	
CC(C)CCC[P@](=O)(O)O[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)O	26188558	SVJWNBTYYTWDOM-GJZGRUSLSA-N	392.433	2.198	0	1	GEAF	
CCN(CC)C(=O)[C@H]1CCC[C@@H](NCc2c(C)noc2C)CN(C)C(=O)C1	2356645623	YAQOGCFUGRJWSK-DLBZAZTESA-N	378.517	2.267	0	1	GEAF	
Nc1nc2c(cnn2CCN2Cc3ccccc3C2)c2nc(-c3ccco3)nn12	34270328	ITVVLTZOGNJXPY-UHFFFAOYSA-N	386.419	2.332	0	1	GEAF	
O=C(Nc1ccccc1)O[C@@H]1CO[C@@H]2[C@H]1OC[C@H]2n1nnnc1-c1ccccc1	2356862276	UYQGLCKCMQQNQH-BDXSIMOUSA-N	393.403	2.296	0	1	GEAF	
CN1CC[C@H](c2cccc(C(=O)NC[C@H](O)CN3CCc4ccccc4C3)c2)C1	217041962	BLZWWZUJJXPUOU-GOTSBHOMSA-N	393.531	2.255	0	1	GEAF	
CCCCOC(=O)COC(=O)[C@H](C)NC(=O)c1coc(-c2cccs2)n1	82083915	HRVLNHFXGQIJCN-NSHDSACASA-N	380.422	2.408	0	1	GEAF	
CC(=O)N1CCN(C(=O)c2ccc3c(-c4nc5ccccc5[nH]4)n[nH]c3c2)CC1	147912597	QLUOLEOAYJGLRY-UHFFFAOYSA-N	388.431	2.411	0	1	GEAF	
O=C(c1cc(-c2ccc(Cl)cc2)n(-c2ccc(O)nn2)n1)N1CCOCC1	96928094	JLFYGLLJCNSFDI-UHFFFAOYSA-N	385.811	2.161	0	1	GEAF	
C/C=C/c1ccc([C@@H]2[C@@H](CO)N(C(C)=O)[C@H]2CN(C(=O)COC)C(C)C)cc1	95895730	HKSWFDSECWATDS-JIZQGDIKSA-N	388.508	2.278	0	1	GEAF	
OCC1CCN(c2nccnc2C2CN(c3cnc4ccccc4n3)C2)CC1	148135395	RVVKLIGZRNHJIR-UHFFFAOYSA-N	376.464	2.232	0	1	GEAF	
COc1ccc(OC)c(S(=O)(=O)N2C[C@H]3C(c4ccccc4)=NO[C@H]3C2)c1	263590384	WSZLJFGIQMLXKO-WBVHZDCISA-N	388.445	2.127	0	3	GEAF	
CC(=O)N1CCC(Oc2cncc(-c3cnc4c(c3)CCCN4C(N)=O)c2)CC1	1772644945	MWUFMPMNGFLLFK-UHFFFAOYSA-N	395.463	2.365	0	1	GEAF	
C[C@@H]1CN(Cc2ccccc2)C[C@H]1c1nc(=O)c2cnc(C3=CCOCC3)n2[nH]1	1772651411	KZOJNVNGLJDSCN-CRAIPNDOSA-N	391.475	2.457	0	1	GEAF	
CCOC(=O)[C@]12CCCC3=C1N(CCC3)C(=O)[C@@H](CC(=O)NCCCOC)C2	203472462	MSLQCAULIIALDM-KKSFZXQISA-N	392.496	2.159	0	3	GEAF	
O=C(c1ccc(-c2nc3ccccc3o2)cc1)N1CCN(C(=O)C2(O)CC2)CC1	1857551395	FGXGECPNCZCUAJ-UHFFFAOYSA-N	391.427	2.304	0	1	GEAF	
C[C@H]1CCC[C@@H](NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)[C@@H]1C	4660722	JRFRRXUXLPBMLG-PMUMKWKESA-N	398.500	2.401	0	1	GEAF	
OC[C@H]1[C@H](Cc2ccnc(C3CC3)n2)[C@@H](NC2CCC(F)(F)CC2)C[C@H]1O	2356287004	BOJKKHGDLSOGQC-XLAORIBOSA-N	381.467	2.422	0	1	GEAF	
CNC(=O)c1ccc(N2CCN(Cc3ccc4c(c3)NC(=O)[C@@H](C)O4)CC2)cc1	68246985	WUMWUCZSMPMERM-OAHLLOKOSA-N	394.475	2.088	0	1	GEAF	
COC(OC)[C@@H]1CSCN1C(=O)[C@H]1CCCN1C(=O)OCc1ccccc1	28259532	KONWGJHQYGFCBA-CVEARBPZSA-N	394.493	2.308	0	1	GEAF	
COc1ccc(CN[C@@H]2[C@H](c3ccc(C(F)(F)F)nc3)C[C@H](O)[C@H]2O)cc1	2356670229	FZIMBKXTHCNMFS-CWLKWCNXSA-N	382.382	2.477	0	1	GEAF	
O=C(NCc1ccccc1)c1[nH]cnc1C(=O)N1CCN(c2ccccc2)CC1	36388163	STZFDZMNNLWUBL-UHFFFAOYSA-N	389.459	2.302	0	3	GEAF	
O=C(Cn1sc2ccccc2c1=O)NCc1cn(Cc2ccc(F)cc2)nn1	73224609	JLMCUQCOEYPDPQ-UHFFFAOYSA-N	397.435	2.158	0	1	GEAF	
OC[C@@H]1[C@H](O)[C@@H](O)CCN1CCCCCOCC12CC3CC(CC(C3)C1)C2	84619381	VIZUYNYAIYKSCL-OSIAOXRHSA-N	381.557	2.178	0	1	GEAF	
COc1ccc(CNc2nc(N3CC[C@H](NC(C)=O)C3)ncc2C)cc1OC	82204274	HWPUZYYSNGXIIP-INIZCTEOSA-N	385.468	2.129	0	1	GEAF	
CO[C@]12C=CC=COC1=NC1=C(C(C)C)NC(=O)[C@H](Cc3ccccc3)N1C2=O	198361768	AKXOXVJHRIGMAC-KSFYIVLOSA-N	393.443	2.279	0	1	GEAF	
CC1=C(C(=O)O[C@@]23OC[C@]4(C)[C@@]2(C)C(=O)C[C@@]2([C@@H]3O)[C@H](C)CC[C@]24O)CCC1	263638168	SGFRFWVBCRSHNZ-MZUDGRTHSA-N	390.476	2.264	0	1	GEAF	
CSC[C@@H](NC(=O)COc1ccc2c(c1)oc(=O)c1ccccc12)C(=O)O	33645354	STJXTOCYHXHJNI-OAHLLOKOSA-N	387.413	2.257	0	1	GEAF	biogenic
O=C(O)c1cn(-c2ccc(O)cc2)c2cc(N3C[C@H]4C[C@H]3CN4)c(F)cc2c1=O	299806033	TWVMCOXIQXVLHX-YPMHNXCESA-N	395.390	2.084	0	1	GEAF	
CC(C)(C)OC(=O)NCc1ccc(-c2nc3c(O)nc(N)nc3[nH]2)c(C2CC2)n1	587232143	LEJRKTDLZPHZSJ-UHFFFAOYSA-N	397.439	2.605	0	1	GEAF	
COc1cccc2nc(Cn3cc(I)c(C(=O)O)n3)[nH]c12	587185440	MCFNVKUFESICTB-UHFFFAOYSA-N	398.160	2.119	0	1	GEAF	
O=S(=O)(c1ccc2nc(-c3cnc(Cl)s3)[nH]c2c1)N1CCOCC1	587024006	YXBTXXUDLGSNHU-UHFFFAOYSA-N	384.870	2.361	0	1	GEAF	
O=C(O)CCN(CCc1nc2ccc(-n3cnnn3)cc2[nH]1)Cc1ccccc1	587193660	NZWSOSZFNLAXPE-UHFFFAOYSA-N	391.435	2.058	0	1	GEAF	
O=C(NCCCN1CCc2ccccc2C1)c1cc2c(s1)CS(=O)(=O)C2	5084179	KDXHPXKZEDRGMK-UHFFFAOYSA-N	390.530	2.355	0	1	GEAF	
COC1CCC2(CC1)Cc1ccc(-c3cnccn3)cc1[C@@]21N=C(N)N(C)C1=O	201218275	KAKULGGJWZOCJI-PZPSAWLHSA-N	391.475	2.257	0	1	GEAF	
CCNCC(=O)N(C)CC(=O)Nc1nc2ccc(OC(F)(F)F)cc2s1	1857630294	BDFIORLYVUABQS-UHFFFAOYSA-N	390.387	2.201	0	1	GEAF	
O=C(Nc1ccc(F)cc1)NC1CCN(Cc2nnnn2Cc2ccco2)CC1	1346106	DPICCLBQOGNHAX-UHFFFAOYSA-N	399.430	2.240	0	3	GEAF	
CCOc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@@H]1C(=O)NCCOCCO	4049153	QAADAUHTXIFHSN-FPOVZHCZSA-N	398.459	2.302	0	1	GEAF	
CCCCCC(=O)N1CC[C@](C)(O)[C@@H](NC(=O)COC)[C@@H]1c1ccccc1	2356288582	HOWVPHKQTLFAIN-ACRUOGEOSA-N	376.497	2.423	0	1	GEAF	
CC(=O)c1ccc(N2C(=O)[C@@H]3CN(C(=O)c4cccc(F)c4)CCN3C2=O)cc1	8295644	YVSJYLHTJQJBOM-SFHVURJKSA-N	395.390	2.322	0	1	GEAF	biogenic
CC=C(C)C(=O)OC[C@@](O)(CO)c1ccc(COC(=O)[C@H](C)CC)cc1O	2356483509	MGRZDBBGCVUJJM-XCLFUZPHSA-N	380.437	2.171	0	1	GEAF	
CC=C(C)C(=O)O[C@@H]1CC[C@H](C)[C@]2(C)[C@H](O)C3=C(C)C(=O)O[C@]3(OC)C[C@]12O	2356713235	CDXRTRKAWMYIAC-FFFMJZSNSA-N	394.464	2.012	0	1	GEAF	
COc1ccccc1[C@@H]1c2[nH]c3ccccc3c2C[C@@H]2C(=O)N(C)CC(=O)N21	15955466	WVAQDJIZCJOJTB-DYESRHJHSA-N	375.428	2.491	0	1	GEAF	biogenic
COc1ccc(N2C(=O)[C@H]3C[C@H](NC(=O)Cc4cccs4)CCN3C2=O)cc1	25199398	CYVKYJDMSNRHIS-CXAGYDPISA-N	399.472	2.415	0	1	GEAF	biogenic
COc1ccc2c(c1)N(C)[C@H]1[C@@](O)(OC(C)=O)[C@@H](C)[C@]3(C)C=CCN4CC[C@]21[C@@H]43	238761965	BRPPDMZITRSQKG-ABILJQRTSA-N	398.503	2.303	0	1	GEAF	
CN1[C@H]2COC[C@H]1CC(NC(=O)c1cn(-c3cncs3)c3ncccc13)C2	1772655914	VAVRARWIFUHQBY-ZIAGYGMSSA-N	383.477	2.073	0	1	GEAF	
C[C@@](O)(C(=O)Nc1ccc(S(=O)(=O)c2ccccc2O)cc1)C(F)(F)F	13760148	FTVVTTPQUSNKBN-OAHLLOKOSA-N	389.351	2.477	0	1	GEAF	
COc1ccc(OCc2cc(C(=O)N[C@@H](C)Cn3cncn3)no2)c(Cl)c1	14977991	XGURBZXMKTWKCL-NSHDSACASA-N	391.815	2.326	0	3	GEAF	
CN(C)CCCNC(=O)c1ccc2c(c1)N(C)C(=O)c1ccccc1[S@@]2=O	169309911	GAUDHVYNVFYMSQ-MHZLTWQESA-N	385.489	2.125	0	1	GEAF	
C[C@@H]1CC[C@]2(O)[C@]3(C)CO[C@]4(OC(=O)c5ccccc5)[C@H](O)[C@@]12CC(=O)[C@@]34C	169371251	BRRTVYWNYBLCAX-GRFWAMACSA-N	386.444	2.077	0	1	GEAF	
c1cc(OCCN2CCOCC2)cc(-c2n[nH]c3ccc(-c4nn[nH]n4)cc23)c1	164762270	VENMEIVANNVGBO-UHFFFAOYSA-N	391.435	2.121	0	1	GEAF	
Cc1ccccc1C1=NO[C@@H]2CN(S(=O)(=O)c3c(C)nn(C)c3Cl)C[C@H]12	205230590	WCSSHBZAYPZSRR-UONOGXRCSA-N	394.884	2.114	0	3	GEAF	
CC(C)(O)CN(CCc1ccc(Cl)cc1)C1CCN(c2nc(=N)[nH][nH]2)CC1	1857548233	WCGSCRMHCHWSOJ-UHFFFAOYSA-N	392.935	2.155	0	1	GEAF	
Cc1cc(-c2nc3ccccc3n2CC2CCN(C(=O)CO)CC2)cnc1O	1857566178	IQMWAJYJANEXAV-UHFFFAOYSA-N	380.448	2.343	0	1	GEAF	
COc1cc(F)ccc1N=c1nc[nH]c2sc(C(=O)OCCO)c(C)c12	1857613160	MASMYUSZQURAEQ-UHFFFAOYSA-N	377.397	2.462	0	1	GEAF	
COc1ccccc1CCC(=O)N1CCC[C@H]1C(=O)NCC1CCC(N)CC1	13555133	XEKMSEIDQMWTLK-KVZIAJEVSA-N	387.524	2.253	0	1	GEAF	
COCCNc1ncc(C(=O)NCc2ccc3c(c2)OCO3)c(-c2ccco2)n1	82142762	KARRYGMPVXYZRX-UHFFFAOYSA-N	396.403	2.454	0	1	GEAF	
O=C(Nc1cccc(Cl)c1)N[C@H]1CC[C@H](CCNC(=O)C2CC2)O[C@H]1CO	95904269	JUGQZOVOVDNIIT-IKGGRYGDSA-N	395.887	2.286	0	1	GEAF	
Cn1cnc2cc(-c3ccc(CN4CCOCC4)cc3)nc(NC3CC3)c2c1=O	115625208	XZXSHGAHOVUDDI-UHFFFAOYSA-N	391.475	2.402	0	1	GEAF	
CCOC(=O)[C@@H]1[C@H](c2ccccc2)C[C@@H]2[C@H](NC(=O)c3ccccc3)C(=O)N12	299848682	OIQHMRNJBRQMSA-RDGPPVDQSA-N	378.428	2.115	0	1	GEAF	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)N2CCCc3cc(C(=O)O)cc1c32	587394927	LPYGPTXHYASZDO-NRFANRHFSA-N	378.384	2.429	0	1	GEAF	
CCCc1c(O)ccc2c1OC1(CC2=O)C[C@H](C(=O)OC)[C@@H](C(=O)OC)C1	587478455	JVTYRDYAJPTGAW-KBPBESRZSA-N	376.405	2.421	0	1	GEAF	
C[C@@H](C(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1)N1C(=O)C[C@@H](C)C1=O	653791288	GOBGYUDXUNWESR-NEPJUHHUSA-N	398.290	2.426	0	1	GEAF	
CC(C)NC(=O)NC[C@H]1C[C@H]2CCN1C[C@H]2CN1CCN(c2ccccc2)CC1	2356298156	XYNOWFLKYUJNNO-KCZVDYSFSA-N	399.583	2.227	0	1	GEAF	
COc1ccc(C(=O)[C@@H]2CCCN(C(=O)CCC3=NNC(=O)CC3)C2)c(C)c1	12076119	GKKJWUFVZJJFPG-OAHLLOKOSA-N	385.464	2.471	0	3	GEAF	
O=C1c2ccccc2S(=O)(=O)c2cc(N3CCC4(CC3)OCCO4)ccc21	12479850	VIBYWIUKHLWHOI-UHFFFAOYSA-N	385.441	2.407	0	3	GEAF	
COc1cc2c(cc1OC)[C@]1(C(=O)c3ccc4c(c3[C@@H]1O)OCO4)N(C)CC2	14684981	CSJAPFGQQAVKGU-LEWJYISDSA-N	383.400	2.046	0	1	GEAF	biogenic
CCc1c2c(nc3ccc(O)cc13)[C@@H]1C=C3[C@@H](COC(=O)[C@@]3(O)CC)C(=O)N1C2	26654101	QTQXEMLATWTPSP-FXCLAUTBSA-N	394.427	2.140	0	1	GEAF	
S=C(NCCC1=N[C@@H]2C=CC=C[C@@H]2N1)Nc1ccc(Br)cn1	27426680	KUNGOWDLUVFODX-TXEJJXNPSA-N	378.299	2.386	0	1	GEAF	
CC(=O)Nc1ccc(CC[C@@H](C)NC[C@H](O)c2ccc(O)c(C(N)=O)c2)cc1	27740684	OSEWZPSLFHONKO-XCLFUZPHSA-N	385.464	2.094	0	1	GEAF	
Cn1nc(-c2ccnc(Nc3cccc(S(N)(=O)=O)c3)n2)c2ccccc21	84739777	ZGYYSZDEERINCY-UHFFFAOYSA-N	380.433	2.421	0	1	GEAF	
CC(=O)c1ccc(-c2ccc3c(c2)OC[C@H]2[C@H](Cn4ccnn4)OC(=O)N32)cn1	96907357	UKOURERHLGTETE-HKUYNNGSSA-N	391.387	2.329	0	1	GEAF	
COc1ccc(Nc2nccc(NC3CCN(S(C)(=O)=O)CC3)n2)cc1	299830041	NRDGDHZKNXWVCS-UHFFFAOYSA-N	377.470	2.065	0	1	GEAF	
COc1cc2c3c(c1)O[C@@H](c1cnc(Cl)nc1N1CCOCC1)[C@@H](C2)C3=O	587419484	FJLJCOFEWWOLFN-YVEFUNNKSA-N	387.823	2.464	0	1	GEAF	
Cn1nc(Br)c2c(-n3ncc4ccc(Cl)cc4c3=O)ncnc21	587651381	RUPHQKWKTJBLOJ-UHFFFAOYSA-N	391.616	2.478	0	1	GEAF	
COC(=O)c1cc([C@@H]2N[C@H](C(=O)O)Cc3cc(F)ccc32)n(CC(C)C)n1	962923580	RGCKOOSWJAKZFD-WMLDXEAASA-N	375.400	2.153	0	1	GEAF	
Cn1ccnc1[C@@]1(C)c2scnc2C[C@H](C(=O)O)N1C(=O)OC(C)(C)C	963134183	DBLOASRAHJVJLD-PIGZYNQJSA-N	378.454	2.387	0	1	GEAF	
CO[C@@H]1C[C@@]23CCN(C)C(=O)[C@@H]4[C@H](C)OC[C@@H]([C@H]41)[C@H]2N(C(C)=O)c1ccccc13	2356420369	XLGWGETYTXOOFP-QYXBZPHCSA-N	398.503	2.208	0	1	GEAF	
O=C1O[C@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H](O)O[C@H](c3ccc4c(c3)OCO4)[C@H]12	2356447960	KRRNYMLYOLMYMS-FVVUREQNSA-N	384.340	2.064	0	1	GEAF	
C[C@H]1CN(c2cccc3ccccc23)CCN1CN1CC(=O)N2CCC[C@@H]2C1=O	13642288	RHPMSRVAUFLOEW-LAUBAEHRSA-N	392.503	2.141	0	1	GEAF	
CN1CCCC[C@@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C1=O	28952626	HSABDBZCHRRZOY-IAGOWNOFSA-N	389.496	2.250	0	1	GEAF	
O=S(=O)(NC[C@H]1C[C@H]2CCN1C[C@@H]2CN1CCCCC1)c1ccccc1	43527057	XDALEZVUDDMMRZ-CEXWTWQISA-N	377.554	2.161	0	1	GEAF	biogenic
COCC(=O)NC[C@H]1[C@@H](c2ccc(C3=CCCC3)cc2)[C@H](CO)N1C(=O)C1CC1	95895880	QFILKHAMRPHMJJ-JAXLGGSGSA-N	398.503	2.082	0	1	GEAF	
COC[C@H](O)[C@]1(O)CC[C@]2(O)[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C	255207565	DRWYRTBGYGOFNY-RGLWXPGGSA-N	380.525	2.163	0	1	GEAF	
C[C@H](NC(=O)C[C@@H]1C(=O)N[C@@H](c2ccccn2)N[C@H]1C)c1ccc(F)cc1F	618012325	BOEWYRHUEHZAQP-UPDUFCCMSA-N	388.418	2.350	0	1	GEAF	
Cc1cccc(C(=O)N2CCC(N3CCC(C(=O)N4CCOCC4)CC3)CC2)c1	11956201	JQPWIJNLASLJGY-UHFFFAOYSA-N	399.535	2.170	0	3	GEAF	
Cc1cccc(C)c1N1NN=N/C1=C1/N=c2cc(Br)ccc2=NC1=O	199202696	NAUUZOVDKFLMGZ-PEZBUJJGSA-N	397.236	2.406	0	3	GEAF	
CCCNC(=O)[C@@H](C)N1C(=O)N2CCc3c([nH]c4ccc(OC)cc34)[C@@]2(C)C1=O	6398276	IFTPVFAFLUPTIJ-GTJPDFRWSA-N	398.463	2.127	0	1	GEAF	biogenic
CCOC(=O)CCc1c(C)nc2nc(NCc3ccc(OC)cc3)nn2c1O	15668898	YXHXQZQATWQYTE-UHFFFAOYSA-N	385.424	2.255	0	1	GEAF	
COc1ccc(CC[C@@H](C)NC[C@H](O)c2ccc(O)c(C(N)=O)c2)cc1OC	27738378	POJFCGHAPYYJFT-ACJLOTCBSA-N	388.464	2.153	0	1	GEAF	
CCCN(CCNS(=O)(=O)N(CC)CC)[C@@H]1CCc2c(O)cccc2C1	28007750	BEHVFSCUEIBFFU-QGZVFWFLSA-N	383.558	2.138	0	1	GEAF	
COc1cccc(-c2ccc([C@@H]3[C@@H](CO)N(C(C)=O)C34CN(C(C)=O)C4)cc2)c1	95668624	NBHXNKRZLKWQOZ-FGZHOGPDSA-N	394.471	2.270	0	1	GEAF	
COc1ccc(/C=c2/s/c(=C/C(=O)c3ccc(C)cc3)[nH]c2=O)c(OC)c1	100512877	IYFCEXUDZMHBDM-FIOGTWENSA-N	381.453	2.254	0	1	GEAF	
CN1CCN(c2c(F)c(S)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)CC1	100793864	BKRWWBWOCIBSOP-UHFFFAOYSA-N	395.431	2.353	0	1	GEAF	
CN1CCN(c2nccnc2O[C@H]2C[C@H](Nc3ncc4ccccc4n3)C2)CC1	146887460	MXWBUEQFKVBXNI-CALCHBBNSA-N	391.479	2.194	0	1	GEAF	
CS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccn(O)c(=O)c2)cc1	169368752	OJRVGYNHAYPHOR-UHFFFAOYSA-N	399.350	2.361	0	1	GEAF	
N[C@@H](CCC(=O)Nc1ccc2ccccc2c1)c1nc2c(O)nc(O)nc2[nH]1	587258371	JAPMQIABZMKZPH-ZDUSSCGKSA-N	378.392	2.336	0	1	GEAF	
COc1ccccc1C(=O)Nc1cc2c(cc1OC(C)C)n(C)c(=O)n2CCO	653823832	LSKUNOBMOIMAIP-UHFFFAOYSA-N	399.447	2.380	0	1	GEAF	
CN(C)CCOc1ccc(Nc2cc(-n3cnc4ncccc43)ncn2)nc1	1772632671	YTWDOCYUHJCFCG-UHFFFAOYSA-N	376.424	2.290	0	1	GEAF	
CC(=O)c1cc(C(=O)N2CC[C@@H](c3cc(-c4cnn(C)c4)cc(C)n3)C2)n[nH]1	1772634482	DXTOTRNBQCJEMI-CQSZACIVSA-N	378.436	2.346	0	1	GEAF	
O=C(N[C@@H]1CO[C@@H]2[C@H]1OC[C@H]2n1cc(CC2CCCCC2)nn1)c1ccco1	2356304500	LPIDSFBINCSQHP-FPAYPSAMSA-N	386.452	2.131	0	1	GEAF	
CC[C@@H]1OC(=O)[C@H](C)C(=O)[C@@]2(O)CO[C@@](OC)(C[C@H](C)CC(C)=C[C@@]1(C)O)C2	2356644512	JLVZVGQWWZKQQV-LNPPAIOBSA-N	398.496	2.135	0	1	GEAF	
Cc1csc(NC(=O)CN(C)S(=O)(=O)c2cccc3cccnc23)n1	5067177	SPFHVFQEBGKJJT-UHFFFAOYSA-N	376.463	2.259	0	3	GEAF	
O=C1N=C(O)C2(C(=O)N1)[C@H](c1cccs1)NC(=O)N[C@H]2c1cccs1	2601914	OUEWNGCZNHFQJF-UWVGGRQHSA-N	376.419	2.098	0	1	GEAF	
COc1cc2c(cc1OC)[C@H](C(=O)NC[C@@H]1CCCO1)[C@@H]1CCCCN1C2=O	4563963	XTGIYWNPRRNBIB-AXHNFQJDSA-N	388.464	2.091	0	1	GEAF	
Cn1ccnc1CN1C(=O)CO[C@@H]2CN(Cc3ccc(C(F)(F)F)cc3)C[C@@H]21	2356286505	ZWDMALKJUWNELU-JKSUJKDBSA-N	394.397	2.051	0	1	GEAF	
COc1cccc(NC(=O)N2CCN3C(=O)N(Cc4ccccn4)C[C@@H]3C2)c1	2356446913	RXJGUYAYXRGGRA-KRWDZBQOSA-N	381.436	2.244	0	1	GEAF	
N[C@H]1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(O)cc2)C1	28395872	UYLPZMOVXLHQAW-NSHDSACASA-N	383.379	2.071	0	1	GEAF	
C[C@]1(CCc2cccc(O)c2)Oc2cc3oc(CO)cc(=O)c3c(O)c2C[C@@H]1O	2356644438	GGHAEUOIFSGRPC-SIKLNZKXSA-N	398.411	2.384	0	1	GEAF	
CN(C)c1ccc(C(=O)OC[C@]2(CO)C/C(=C\c3ccccn3)C(=O)O2)cc1	45498376	KCXYCCAYSVRIQM-RBNQXFGJSA-N	382.416	2.066	0	1	GEAF	
O=S(=O)(c1ccc(Cl)cc1)N1CCc2n[nH]cc2[C@H]1c1cncnc1	49072371	INFDFYKJYGGPKY-MRXNPFEDSA-N	375.841	2.190	0	1	GEAF	
NC(=O)[C@@H]1CCCN(c2ncc(C(=O)N3CCCC3)c(-c3ccccc3F)n2)C1	82151536	UATVOUCOZXMJDN-CQSZACIVSA-N	397.454	2.220	0	1	GEAF	
COc1cc2c(cc1OC)[C@]13CCN4C=C5CCO[C@@H]6CC(=O)N2[C@H]1[C@@H]6[C@@H]5C[C@H]43	195409948	BUQWXEFUPCTDBF-SBGADFBQSA-N	394.471	2.457	0	1	GEAF	
CCC(=O)N(C)C[C@@H]1[C@@H](c2ccc(-c3cccnc3)cc2)[C@H](CO)N1C(C)=O	95895541	WSIAAOVRQHSRNB-RZUBCFFCSA-N	381.476	2.292	0	1	GEAF	
C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(=O)Cc3cccnc3)[C@@H]2CNC(C)=O)cc1	95895785	NGLDGHULOYFZMR-WAOQWMGUSA-N	393.487	2.149	0	1	GEAF	
Cn1cc(-c2ccc(N3CCC(N4CCc5ccc(CO)cc54)CC3)nn2)cn1	473179098	PEQAVOGGCFURJQ-UHFFFAOYSA-N	390.491	2.401	0	1	GEAF	
Cc1cc(S(N)(=O)=O)ccc1OCc1nc2cncc(Br)c2[nH]1	586930997	YQHRTVSDEYVZHY-UHFFFAOYSA-N	397.254	2.255	0	1	GEAF	
Cc1ncc(COP(=O)(O)O)c([C@H]2NCCc3ccc(F)c(C)c32)c1O	962378801	UPFIIGBIDZARNV-INIZCTEOSA-N	382.328	2.388	0	1	GEAF	
CC(C)C[C@@H](CO[C@@H]1CC(=O)N1)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C	5962773	MILNBBAYJXMUEC-NUEKZKHPSA-N	399.532	2.319	0	1	GEAF	
O=C1CC[C@H](/C=C/[C@H](O)Cc2ccccc2)N1CCCCSc1nnn[nH]1	13488400	CSYHDBJGSZIDDS-LHWQUMODSA-N	387.509	2.223	0	1	GEAF	
COC(=O)[C@@]1(C)N[C@@H](c2cccs2)[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]21	169295360	UAQUHXAYVUOFLR-CUYVQJCZSA-N	388.420	2.269	0	1	GEAF	
COc1ccc(N2C(=O)NC(=O)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1N	1857645672	JQAKHCCMLFIBOJ-INIZCTEOSA-N	387.392	2.101	0	1	GEAF	
COc1ccc(N(CC(=O)NC2CCCC2)C(=O)[C@H]2CSC(=O)C2)cc1	1328284	OWFPKGSSTMLVQF-CYBMUJFWSA-N	376.478	2.367	0	1	GEAF	
O=S(=O)(c1ccccc1)[C@@]1(CCC2OCCO2)C=CC2(CC1)OCCO2	5853489	LLJKDTUFFIWAGL-SFHVURJKSA-N	380.462	2.445	0	1	GEAF	
O=c1[nH]c2ccccc2c(=O)n1CCN1CCC([C@@H](O)c2ccccc2)CC1	13731471	GGHSWCJJSMUMDL-FQEVSTJZSA-N	379.460	2.135	0	1	GEAF	
CN(C(=O)CCCOc1ccc2c(c1)C(=O)N1CC(=O)N=C1N2)C1CCCCC1	26937150	FYVPIOXIQWWKTG-UHFFFAOYSA-N	398.463	2.401	0	1	GEAF	
CCCCc1ccc(Nc2nc(N)c3ncn([C@H]4C[C@H](O)[C@@H](CO)O4)c3n2)cc1	29251260	HCEJDJJGQULFHV-ARFHVFGLSA-N	398.467	2.135	0	1	GEAF	
CCN1CCC[C@H]1CNC(=O)c1c(N)c(Br)cc(OC)c1OC	34223419	JVZAYLSEXNKOFB-JTQLQIEISA-N	386.290	2.263	0	1	GEAF	
CCN(CC)C(=O)c1c(N2CCN(C)CC2)c2cccnc2n2c(C)cnc12	45245507	JRMAOYOESMIBFG-UHFFFAOYSA-N	380.496	2.425	0	1	GEAF	
O=C1N[C@@H](Cc2ccccc2)[C@@H](CN2CCCc3ccccc3S2(=O)=O)O1	72126084	BXHKDCSCDVKYRL-ZWKOTPCHSA-N	386.473	2.343	0	1	GEAF	
C[C@H](NC(=O)c1coc(-c2ccc3ccccc3c2)n1)C(=O)N1CCNCC1	82083537	MBUOOSSEIOEUQO-AWEZNQCLSA-N	378.432	2.045	0	1	GEAF	
O=c1[nH]c2ncc(-c3ccc(-c4nc[nH]n4)cc3)nc2n1CCC1CCOCC1	95604390	FFGUSRSMWFYKGK-UHFFFAOYSA-N	391.435	2.388	0	1	GEAF	
COCC(=O)N(C)C[C@@H]1[C@H](c2ccc(-c3ccccc3)cc2)[C@@H](CO)N1C(C)=O	95895725	CBLKVIXJSSEHMU-XPNTWCBSSA-N	396.487	2.134	0	1	GEAF	
COc1ccc2cc([C@@H](C)C(=O)OC[C@H](CO[N+](=O)[O-])O[N+](=O)[O-])ccc2c1	137101095	DHMLCNFGWGUOSW-BDJLRTHQSA-N	394.336	2.280	0	1	GEAF	investigational
O=C(NCCN1CCCCC1)c1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1	167693825	KKZSFJSCATVMEK-UHFFFAOYSA-N	394.519	2.455	0	1	GEAF	
O[C@@H](COCc1ccc(CN2CCOCC2)cc1)CN1CCc2ccccc2C1	219723503	UQYISVCDHZMSNO-XMMPIXPASA-N	396.531	2.455	0	1	GEAF	
COC(=O)C1=C2Nc3cc(OC)ccc3[C@]23CCN2CCC[C@]([C@@H](C)O)(C1)[C@@H]23	238737530	RFESMOWWVVPMAX-FHIZRCNDSA-N	384.476	2.425	0	1	GEAF	
COc1ccc(-c2cc(NC(=O)NCP(=O)(O)O)c(C(=O)O)s2)cc1	299865492	UAQTTWNSQDVXIG-UHFFFAOYSA-N	386.322	2.379	0	1	GEAF	
CNS(=O)(=O)c1ccc(CCc2nc3cc(OC)cc(OC)c3[nH]2)cc1	586947149	UYNBAOYYTBLDPB-UHFFFAOYSA-N	375.450	2.273	0	1	GEAF	
COC(=O)CC[C@]1(C(=O)OC)N[C@H](C)Cc2ccc(F)c(Br)c21	587809342	REKQMGOHFNKUJC-ABKXIKBNSA-N	388.233	2.444	0	1	GEAF	
N[C@@H](CCOc1ccc(O)n1-c1cccc(-c2cccc(C(=O)O)n2)c1)C(=O)O	587937531	MNBBHPVXVMUGMN-AWEZNQCLSA-N	397.387	2.124	0	1	GEAF	
Cn1cc2c(n1)CCC[C@@]21N[C@H](C(=O)O)Cc2cc(OC(F)(F)F)ccc21	962631549	KZXKJTYLKOSZOS-RDJZCZTQSA-N	381.354	2.498	0	1	GEAF	
COC[C@@H](NC(=O)Nc1cc2[nH]nc(OC)c2c(CO)n1)c1ccc(F)cc1	1772617392	PKOZRROCMRRUTO-CQSZACIVSA-N	389.387	2.107	0	1	GEAF	
Cn1cc(NC(=O)c2ccnc(-c3ccnc(NCC4CC4)c3)c2)c(C(N)=O)n1	1857584148	UTLRJUSYKIHGAC-UHFFFAOYSA-N	391.435	2.050	0	1	GEAF	
CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)C(c1ccccc1)c1ccccc1)C(=O)O	66123838	AXSTXHNSKAYCDJ-SXLOBPIMSA-N	384.476	2.122	0	1	GEAF	
CN[C@H](C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)C(=O)O)C(C)C)C(C)(C)C)C(C)C	34023480	UXAIZSRWUPOMPB-PYIPWEHNSA-N	397.560	2.275	0	1	GEAF	
O[C@@](CNCC1CCNCC1)(Cn1cncn1)c1ccc(Cl)cc1Cl	40866477	CNELGKFDEBVOER-KRWDZBQOSA-N	384.311	2.062	0	1	GEAF	
COc1cccc(N2CCC[C@H](Oc3nc(-c4ccncn4)cc(=O)n3C)C2)c1	198320064	TXXZHNFXGYVEJJ-KRWDZBQOSA-N	393.447	2.294	0	1	GEAF	
CC(C)C(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)O)O[C@@H]1CO2	95891909	JZXHOMCODGESNA-JLJPHGGASA-N	390.436	2.136	0	1	GEAF	
O=C(O)Cn1c(=O)c(-c2ccc(O)cc2O)nc2ccc(Br)cc21	299869490	UTBVFYDESSEKKM-UHFFFAOYSA-N	391.177	2.322	0	1	GEAF	
C[C@H]1C[C@H](N)CN1c1cc2c(cc1F)c(=O)c(C(=O)O)cn2C(C)(C)CF	5930141	IFXWYKSSDDCFJH-QWRGUYRKSA-N	379.407	2.469	0	1	GEAF	
COC(=O)[C@]1(C)N[C@@H](c2cccc(C)c2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21	19234578	HURDXSBWLXXHCS-RQXXJAGISA-N	378.428	2.377	0	1	GEAF	
Cc1onc(-c2ccc(Cl)cn2)c1CO[C@H](O)Cc1ccc(C(N)=O)cn1	169707494	AVNXOZAFFHLRIQ-INIZCTEOSA-N	388.811	2.270	0	1	GEAF	
C[C@@]1(c2cccc(NC(=O)c3ccc(Br)cn3)n2)COCC(N)=N1	167500659	WQUQHUCOJVZXJC-INIZCTEOSA-N	390.241	2.094	0	1	GEAF	
Cc1cccc(C)c1-n1nnnc1Oc1ccc([C@H]2CC[C@@H](C(N)=O)N2)cc1	1857572973	UFEFXDFYMBQXID-SJORKVTESA-N	378.436	2.350	0	1	GEAF	
Cc1ccc(S(=O)(=O)Nc2cccc(-c3nccc4nc(N)nn34)c2)cc1	28240109	PDMHGKSHOYBKMB-UHFFFAOYSA-N	380.433	2.483	0	1	GEAF	
CC(C)Cn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(F)c4)c3)nc2n(C)c1=O	29055775	NAJBDLXZHBQZJD-UHFFFAOYSA-N	396.426	2.130	0	1	GEAF	
CCN(CC)C(=O)[C@H](C)[C@@H]1CC[C@]2(C)CC[C@H](NC(=O)COC)[C@H](C)[C@@H]2[C@H]1O	2356609736	LPSKKVXXWOGLFU-IBAVBMQUSA-N	396.572	2.445	0	1	GEAF	
COc1ccc(CNc2nc(N3CCN(C)CC3)nc3c2NCN3C(C)C)cc1	70719161	IHTMOWFFRWPHNY-UHFFFAOYSA-N	397.527	2.447	0	1	GEAF	
C/C=C/c1ccc([C@@H]2[C@@H](CO)N(C(=O)NCCC)[C@@H]2CNC(=O)C2CC2)cc1	95894828	NJQPGASMIDWZCK-DBMQHNAXSA-N	385.508	2.494	0	1	GEAF	
O=C(CC1CC1)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2C(=O)c1ccccn1	95667415	RLYKYPAHMRTYLA-PZJWPPBQSA-N	391.471	2.063	0	1	GEAF	
O=C(Nc1ccccc1F)N[C@H]1C=C[C@@H](CC(=O)N2CCCCC2)O[C@@H]1CO	95906439	DLOREXMLRXXTRO-JCGIZDLHSA-N	391.443	2.034	0	1	GEAF	
O=c1n(Cc2nc(-c3ncco3)cn2CCCCO)c2cnccc2n1C1CC1	95592430	KSAVOFQNLDYQMX-UHFFFAOYSA-N	394.435	2.205	0	1	GEAF	
COc1cc([C@H]2Oc3cc4occc(=O)c4cc3O[C@@H]2CO)cc(OC)c1O	238743906	KIALIUIIYHDOKW-UYAOXDASSA-N	386.356	2.389	0	1	GEAF	
CO[C@@H]1O[C@@H](O)[C@]23[C@H](CCC(C)(C)[C@@H]12)OC(=O)[C@@]12C[C@H](CC[C@H]13)[C@@H](C)C2=O	653737398	OVJNATNESHNAMK-DFWOURLLSA-N	378.465	2.277	0	1	GEAF	
COc1cncc2[nH]c(-c3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3)nc12	586946643	NOVPLKJZUCQOCB-ZDUSSCGKSA-N	388.449	2.091	0	1	GEAF	
COC(=O)c1cccc2nc(-c3nccnc3I)[nH]c12	587186741	RCDWWSZRHBYDQQ-UHFFFAOYSA-N	380.145	2.411	0	1	GEAF	
COc1ccc(S(=O)(=O)N[C@H](c2nc3cc(C)cc(F)c3[nH]2)[C@@H](C)O)cc1	586937114	KOKOVGHGDNFQCJ-BZNIZROVSA-N	393.440	2.419	0	1	GEAF	
COC(=O)C[C@]1(C(OC)OC)N[C@H](C)Cc2ccc(F)c(Br)c21	587789809	DPEVOFJRCZYDJU-ABKXIKBNSA-N	390.249	2.500	0	1	GEAF	
COC(=O)Nc1n[nH]c2cc(NC(=O)N[C@@H]3CNc4ccccc4C3)ncc12	1772573225	ONYSMTYVISONIN-NSHDSACASA-N	381.396	2.295	0	1	GEAF	
O=C(COC(=O)[C@H]1[C@H]2C[C@@H]3OC(=O)[C@@H]1[C@@H]3C2)Nc1cccc(C(F)(F)F)c1	169293341	DCKLMBLLIHHFIH-HEBWXOEQSA-N	383.322	2.385	0	1	GEAF	
Cn1nccc1-c1ccc(C(=O)N[C@@H]2CNCC[C@H]2c2cccc(F)c2)nc1	1857582719	RDUOXFXAQJBINA-PKOBYXMFSA-N	379.439	2.497	0	1	GEAF	
CCOc1ccccc1NC(=O)Cn1nnc(C(=O)Nc2ccccc2F)c1N	4971843	RWEHCVSZGLZSGP-UHFFFAOYSA-N	398.398	2.289	0	1	GEAF	
COc1cc2c(cc1OC)[C@@]13CCN4C=C5CCO[C@H]6CC(=O)N2[C@@H]1[C@@H]6[C@H]5C[C@H]43	6145606	BUQWXEFUPCTDBF-UUZPHEMISA-N	394.471	2.457	0	1	GEAF	
O=C([C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)N1CCCCC1	13153804	IDCWDQHGUQYPDN-WPVAHCMFSA-N	378.472	2.417	0	1	GEAF	
O=C(NC[C@H](c1ccccn1)N1CCOCC1)Nc1nnc(C2CCC2)s1	23192174	YKIMBNHEHDBAFE-OAHLLOKOSA-N	388.497	2.396	0	1	GEAF	
CCOC(=O)c1cnc2nc(SCc3ccccc3)nn2c1N1CCOCC1	27428595	LDVXILFYMVORNR-UHFFFAOYSA-N	399.476	2.430	0	1	GEAF	
COC(=O)[C@@]1(c2ccc(OC)cc2)C[C@H]1CN1CCN(c2ccccn2)CC1	28604337	WNFYENWICXMXHB-PGRDOPGGSA-N	381.476	2.343	0	1	GEAF	
CO[C@@H]1COC(=O)C/C=C/[C@@H](C)[C@@H]2C=C[C@H](O)[C@@H](COC(=O)CCC[C@H]1C)O2	33943490	ZPFUQBPYNIZRGQ-NHBHGZQVSA-N	396.480	2.175	0	1	GEAF	
O=C(CCN1CCN(CCO)CC1)N1Cc2ccccc2CCc2ccccc21	45366079	INOVMHNGPIZDBU-UHFFFAOYSA-N	393.531	2.318	0	1	GEAF	
COc1cc(NS(=O)(=O)c2ccc(N3CCNC3=O)cc2)cc(OC)c1	73141421	IRWGCOJFCDEVOP-UHFFFAOYSA-N	377.422	2.034	0	1	GEAF	
COc1cc(OC)cc(-c2nc(C(=O)N[C@H]3CCCCNC3=O)cs2)c1	82086263	KXIMEBDHGOGGCT-AWEZNQCLSA-N	375.450	2.226	0	1	GEAF	
COc1ccc(CNc2c3n(c(=O)n(Cc4ccncc4)c2=O)[C@@H](C)CN3)cc1	82211298	BOEAYUHMKDXJFG-AWEZNQCLSA-N	393.447	2.061	0	1	GEAF	
CC(C)c1cn(CC[C@H]2CC[C@H](NC(=O)c3cccc(F)c3)[C@H](CO)O2)nn1	95675298	QKYXERGZTDIPLJ-AOIWGVFYSA-N	390.459	2.269	0	1	GEAF	
CCOC(=O)C1=C(C(=O)OCC)N(c2ccccn2)CN(c2ccccn2)C1	96927608	DGIDXGRAKRFOKA-UHFFFAOYSA-N	382.420	2.141	0	1	GEAF	
Cc1cccc(C(=O)N[C@@]2(C(=O)O)Cc3ccc(C(N)=O)cc3C2)c1OC(C)C	168016134	FNJVCJZJYDGWOH-QFIPXVFZSA-N	396.443	2.233	0	1	GEAF	
CC(=O)N1c2ccccc2[C@]2(CCN(C(C)=O)[C@H]2C(=O)O)[C@@H]1c1ccc(O)cc1	299814870	VAKSZXZIYLNMIF-JAXLGGSGSA-N	394.427	2.443	0	1	GEAF	
COc1cc(C2=NCC(=O)N3COc4c(OC)ccc2c43)cc(OC)c1OC	299864095	LXGICEKWJGOKAS-UHFFFAOYSA-N	384.388	2.255	0	1	GEAF	
C[C@]1([C@H]2C=C(C(=O)O)NN2c2ccccc2)N[C@H](C(=O)O)Cc2cc(F)ccc21	962894024	GWNVLYZBEKNGJH-CDXJDZJCSA-N	397.406	2.002	0	1	GEAF	
O=C(NC[C@@H]1C[C@H]2CCN1C[C@H]2CN1CCCCC1)c1ccc2c(c1)OCO2	2356298575	LLXQRFYOYHIWER-QRQLOZEOSA-N	385.508	2.341	0	1	GEAF	
COc1cc2c(cc1OC)-c1c(OCO)c(OCO)cc3c1[C@@H](C2)N(C)CC3	2356709241	UQTAUJNPDCIUPD-OAHLLOKOSA-N	387.432	2.113	0	1	GEAF	
CCOC(=O)[C@H]1CCCN(C(=O)CN2C(=O)[C@@H](CC)Oc3ccc(C)cc32)C1	2943330	XABCHADCXUZYQW-DOTOQJQBSA-N	388.464	2.301	0	3	GEAF	
O=C(CN(C(=O)CCNC(=O)c1ccco1)c1ccccc1)NC1CCCC1	4411467	LNNKZFDQBROMQF-UHFFFAOYSA-N	383.448	2.492	0	3	GEAF	
Cn1cnc(S(=O)(=O)N2[C@@H]3CNC[C@H]2[C@@H]3c2ccc(-c3ccccc3)cc2)c1	100105894	DZSLRSBXGIMKFQ-CEQLMSFQSA-N	394.500	2.216	0	1	GEAF	
C[C@@H]1[C@@H](N(C)C)CN1c1c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c2c1F	27419416	NZRIDVDCUMGXBN-OTYXRUKQSA-N	377.391	2.452	0	1	GEAF	
CC(=O)N1CCN(c2ncc(C(=O)N3CCCC3)c(-c3cccc(C)c3)n2)CC1	82146095	VUMMCFOWRUVUQL-UHFFFAOYSA-N	393.491	2.357	0	1	GEAF	
CNc1nc(C)c(-c2nc(Nc3cccc(S(N)(=O)=O)c3)ncc2O)s1	95602872	HVCCBYPTQRNASA-UHFFFAOYSA-N	392.466	2.047	0	1	GEAF	
CN1CC(S(=O)(=O)c2ccc3c(c2)nc(CC(C)(C)C)n3CC(C)(C)O)C1	299831163	IXSQJWNTRSUVLZ-UHFFFAOYSA-N	393.553	2.484	0	1	GEAF	
C[C@H]1CC(=O)N([C@H](C)C(=O)N2CCN(c3ccc(C(F)(F)F)cc3)CC2)C1=O	653788946	HLGDVJHWIYCYBT-QWHCGFSZSA-N	397.397	2.138	0	1	GEAF	
C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2ccc(OC(F)(F)F)cc2[nH]1	586939607	PPAIGDRDLOPSIY-MRVPVSSYSA-N	389.359	2.235	0	1	GEAF	
COc1cc(CCCN2C(=O)C(=O)NC[C@@H]2c2ccccc2)cc(OC)c1OC	13662257	PAASEGHBSFJLDF-QGZVFWFLSA-N	398.459	2.345	0	3	GEAF	
COc1ccc(OCCN2CCN(C(=O)c3nc4ccccc4[nH]3)CC2)cc1	205942057	RFZCXQYQFWVWHZ-UHFFFAOYSA-N	380.448	2.408	0	1	GEAF	
CCCNC(=O)N1CCCN(S(=O)(=O)c2ccc3c(ccn3CC)c2)CC1	8609378	ZTGYMDRUWGQMJA-UHFFFAOYSA-N	392.525	2.477	0	1	GEAF	
CC(C)(CF)n1cc(C(=O)O)c(=O)c2cc(F)c(N3C[C@H]4C[C@H]3CN4)cc21	102098401	ZTODKFZMMOTKDN-MNOVXSKESA-N	377.391	2.094	0	1	GEAF	
CNC(=O)c1csc(NC(=O)c2ccc3[nH]c4c(c3c2)[C@@H](C)CNC4=O)n1	28902309	NERUXDDORJWDQC-QMMMGPOBSA-N	383.433	2.083	0	1	GEAF	
Cc1cc(O)cc(C)c1[C@@H](C)[C@@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)O	26828991	FCXFTRJOTXZTEP-HEFCMCLBSA-N	382.460	2.478	0	1	GEAF	
COc1cccc(C(=O)NCC2(N3CCN(C)CC3)Cc3ccccc3C2)c1	72180250	HLSOWFUGZKHDKS-UHFFFAOYSA-N	379.504	2.210	0	1	GEAF	
CC[C@H](C(=O)NC1[C@@H]2CC3C[C@@H]1CC(C(N)=O)(C3)C2)N1CCCC(F)(F)C1	137968241	JPMYVYXSNDIXGT-NFERFXEMSA-N	383.483	2.293	0	1	GEAF	
O=C(O)CCn1c(=O)n(Cc2cc(Cl)cc3c2CC(=O)N3)c2ccccc21	96270253	OOAQLSFSKPKDLW-UHFFFAOYSA-N	385.807	2.474	0	1	GEAF	
COc1cc(C[C@H](CO)[C@H](CO)Cc2cc(OC)c(O)c(OC)c2)ccc1O	33832537	AMVHSCBIZLVSPF-CVEARBPZSA-N	392.448	2.126	0	1	GEAF	biogenic
O=C(N[C@H](Cc1nc2ccc(CCO)cc2[nH]1)C(=O)O)OCc1ccccc1	587204207	VZVNJANJTOHMHN-QGZVFWFLSA-N	383.404	2.020	0	1	GEAF	
C[C@H]1CCCCN1CCCNC(=O)Cn1[nH]cc2c3ccccc3nc-2c1=O	15962629	NWXHCCQGCDVJID-HNNXBMFYSA-N	381.480	2.210	0	3	GEAF	
COc1ccc2c3c1O[C@@H]1[C@H](O)C=C[C@@H]4[C@@H](C2)N([C@@H]2CCCC[C@@H]2O)CC[C@@]314	169301627	ROOIUTBGPBWDFU-UPMWFTIRSA-N	383.488	2.175	0	1	GEAF	
N[C@H]1COCC[C@H]1Nc1cc2nc[nH]c(=O)c2c(Nc2cccc3cc[nH]c23)n1	169342726	LZAOAQYGUGHFQO-QWHCGFSZSA-N	391.435	2.071	0	1	GEAF	
Cn1cc(-c2cnn3c(N)c(Br)c([C@@H]4CCC[C@H](N)C4)nc23)cn1	58638484	CKLKHZYNDIKOOE-KOLCDFICSA-N	390.289	2.459	0	1	GEAF	in-vitro
C[C@H](OC(=O)CCC(=O)O)N1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O	29546807	PATMBGGANQYUAZ-AWEZNQCLSA-N	396.399	2.236	0	1	GEAF	
COc1ccc2c3c1O[C@H]1[C@H](O)C=C[C@H]4[C@H](C2)N([C@@H]2CCCC[C@@H]2O)CC[C@@]341	194908082	ROOIUTBGPBWDFU-OEJYTAEJSA-N	383.488	2.175	0	1	GEAF	
C[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCC12CC3CC(CC(C3)C1)C2	84618210	KXTURQBKONIXJN-LNOKHKNASA-N	381.557	2.177	0	1	GEAF	
CN1CCN(CCc2cn(CC3=CC[C@H](C(=O)NO)C=C3)c3ccccc23)CC1	221898623	UDLAINZLDJPMES-LJQANCHMSA-N	394.519	2.439	0	1	GEAF	
COc1cc2nc(NC[C@@H](O)CO)nc(NCc3ccccc3)c2cc1OC	82126439	SSSRIGCNAJWUAD-CQSZACIVSA-N	384.436	2.024	0	1	GEAF	
C/C=C/c1ccc2c(c1)O[C@H](CN(C)C)[C@@H](C)CN([C@H](C)CO)S2(=O)=O	95711457	KDXLDHVMUOGHJB-IVQNNMQUSA-N	382.526	2.050	0	1	GEAF	
C[C@H](O)c1ccc(-c2ccc3c(c2)OC[C@H]2[C@H](Cn4ccnn4)OC(=O)N32)cn1	96907355	PRNUQWSBQGANSW-KHDYIWLOSA-N	393.403	2.180	0	1	GEAF	
O=S(=O)(N[C@H]1CC[C@@H](c2nnc3cnc4[nH]ccc4n23)C1)C1CCCCC1	473248233	MKCGAUPCIRQWEY-OLZOCXBDSA-N	388.497	2.494	0	1	GEAF	
O=C(CCc1nc2nc(Cl)c[nH]c-2n1)Nc1nnc(-c2ccncc2)s1	587023371	AASNBMOPNOMNHC-UHFFFAOYSA-N	386.828	2.443	0	1	GEAF	
CN(C)S(=O)(=O)c1ccc2nc([C@@H]3CSCN3C(=O)C(C)(C)C)[nH]c2c1	587043978	WQVOEFIRKPLNNL-AWEZNQCLSA-N	396.538	2.433	0	1	GEAF	
COC(=O)[C@]1(C)N[C@@H](c2ccc(OC)cc2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21	169355609	OMQWKBLGWQPJBD-QSNWEANLSA-N	394.427	2.077	0	1	GEAF	
COCCCN1C(=O)C(=O)[C@@H](C(=O)c2ccccc2)[C@@H]1c1ccc2c(c1)OCO2	169687218	JGZAMESHNCVTQP-MOPGFXCFSA-N	395.411	2.403	0	1	GEAF	
COc1ccc(CCNc2nc(-c3ncncc3F)cc(=O)n2C)cc1OC	169711974	YLMQKVFDDXTWFZ-UHFFFAOYSA-N	385.399	2.048	0	1	GEAF	
COc1ccc([C@H]2[C@H](C(=O)c3ccccc3)C(=O)C(=O)N2CCCO)cc1OC	169719350	PUDZPVISVAXWTJ-MOPGFXCFSA-N	397.427	2.038	0	1	GEAF	
CC1=NC(=O)N[C@H](c2ccc(S(C)(=O)=O)cc2)[C@@H]1C(=O)OC1CCCC1	169719466	DAJJZZNDYPYDRI-HZPDHXFCSA-N	378.450	2.417	0	1	GEAF	
CN(C(=O)CCCC(=O)N(C)c1ccc(C(=N)N)cc1)c1ccc(C(=N)N)cc1	1857536297	ZCJLABSKZCOJAS-UHFFFAOYSA-N	394.479	2.051	0	1	GEAF	
C[C@@H]1CCCN(CCCNC(=O)Cn2ncc3c([nH]c4ccccc43)c2=O)C1	6937445	WMAPIHGJTPJUGN-OAHLLOKOSA-N	381.480	2.116	0	1	GEAF	
COc1cc([C@H]2OC(=O)[C@H]3[C@H](c4ccc(O)c(OC)c4)OC(=O)[C@@H]23)ccc1O	14959374	DNJFYRXUTBVKIJ-TVFCKZIOSA-N	386.356	2.243	0	1	GEAF	endogenous,in-man
COc1ccccc1OC[C@@H](O)CN1CCC2(CC1)CN(C(C)C)C(=O)O2	28759816	WXINZISFHVSNEM-INIZCTEOSA-N	378.469	2.130	0	1	GEAF	
CN1CCN(C[C@@H](O)COc2ccn(-c3ccc(Cl)c(Cl)c3)n2)CC1	95556251	MEPYQUAPJWBMJH-CQSZACIVSA-N	385.295	2.166	0	1	GEAF	
C[C@H](Cc1ccc(Cl)cc1)S(=O)(=O)Nc1ccccc1S(N)(=O)=O	143821783	BCKYAJYAYZILII-LLVKDONJSA-N	388.898	2.360	0	1	GEAF	
COCC(=O)[C@]1(O)CC[C@]2(O)[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C	255275579	WFPWYFYZMVDBSM-WLAWTKBUSA-N	378.509	2.372	0	1	GEAF	
Cn1cnc(C(=O)N2CCN3C(=O)c4ccncc4[C@@]23c2ccc(Cl)cc2)c1	299871601	YUNKRXBYWGIRFA-HXUWFJFHSA-N	393.834	2.281	0	1	GEAF	
CNS(=O)(=O)N1CCC(c2nc3cc(F)cc(Br)c3[nH]2)CC1	586954524	JLEAOFAUEHRRKU-UHFFFAOYSA-N	391.266	2.108	0	1	GEAF	
CC(C)N1CCN(CCNC2CCN(c3ccc(-n4cccn4)cc3)CC2)CC1	618010039	OIFSLSQCEZZCEZ-UHFFFAOYSA-N	396.583	2.457	0	1	GEAF	
Cc1nc2ccccn2c1[C@]1(CN2CCOCC2)NCCc2ccc(O)cc21	963343811	WYAYLXVKLVPNTH-JOCHJYFZSA-N	378.476	2.070	0	1	GEAF	
CC(C)n1cc(C(=O)c2ccnc(NC(=O)Cn3nccn3)c2)c2cnccc21	1772574631	FJGLXSBWCAGJPG-UHFFFAOYSA-N	389.419	2.473	0	1	GEAF	
Cc1ccccc1N1CCN(C(=O)C[S@](=O)Cc2c(C)noc2C)CC1	1857541322	TZCJHPQHEHWFTO-AREMUKBSSA-N	375.494	2.197	0	1	GEAF	
CCc1ccc(Cc2ccc3c(c2)[C@]2(OC3)O[C@H](C)[C@@H](O)[C@H](O)[C@H]2O)s1	1857590444	OKCNMNZUGPEPJG-FJITVDBRSA-N	376.474	2.086	0	1	GEAF	
O=C1N[C@H](C(=O)O)Cc2ccc(nc2)OCC=CCOc2ccc(Cl)c1c2	1857626677	FWOZSFGPVXYBNW-INIZCTEOSA-N	388.807	2.488	0	1	GEAF	
CC[C@@H]1[C@@H]2CCCCN3[C@H]([C@@H]4C[C@H](C)C(=O)O4)CC(=O)[C@]4([C@H](C)C(=O)O[C@@H]14)[C@H]23	2356814047	BXBKJAZWAYNGDP-KLNZCVCHSA-N	389.492	2.338	0	1	GEAF	
Cc1ccccc1NC(=O)CCNS(=O)(=O)c1ccc2c(c1)CCC(=O)N2	5010476	VGMVZMHUFZSIFP-UHFFFAOYSA-N	387.461	2.187	0	3	GEAF	
COCCNC(=O)[C@H]1CCCN(C(=O)c2ccc(C(F)(F)F)nc2C)CC1	61902652	ISSDULGBHAJJCF-ZDUSSCGKSA-N	387.402	2.414	0	3	GEAF	
C[C@@]1(C(=O)NCC2CCOCC2)Cc2c(-c3cccc(C(N)=O)c3)ccnc2O1	61926608	YPPHLIOPAKVHRD-QFIPXVFZSA-N	395.459	2.084	0	3	GEAF	
O=C(CSc1nc2n(-c3ccc(F)cc3)[nH]cc-2c(=O)n1)N1CCCCC1	103702874	KAVMJBPRGPELFI-UHFFFAOYSA-N	387.440	2.304	0	3	GEAF	
COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4sccc4c3=O)C[C@@H]21	1485617	YMBUQNAAUFTUND-SUMWQHHRSA-N	397.500	2.422	0	1	GEAF	
O=C1Nc2ccc(-c3ccccc3)cc2C(=O)N2CCN(C(=O)C3CC3)C[C@H]12	4235855	ANEMJPYJXUCTQG-LJQANCHMSA-N	375.428	2.369	0	1	GEAF	biogenic
CC(=O)C[C@H]1CCC(=O)CCC(=O)O[C@@H](CC(C)=O)CCC(=O)CCC(=O)O1	5601977	BANPLRUNKASJCB-QZTJIDSGSA-N	396.436	2.041	0	1	GEAF	
COc1cc2c(c(O)c1OC)[C@H](O)[C@@H]1CCC(=O)N1[C@@H]2c1ccc2c(c1)OCO2	6005649	LBMHTQBMZVLESM-GESALYCCSA-N	399.399	2.266	0	1	GEAF	
C/C=C1\CN2CC[C@@]34Cc5cc(O)ccc5N(C)[C@]35OC[C@@]4(C(=O)OC)[C@H]1C[C@H]25	95485892	JZRSUQHRYMVSNA-SCYVTCGUSA-N	396.487	2.311	0	1	GEAF	biogenic,in-vitro
Cc1nc(N)nc2c1cc(-c1cnn(CC(C)(C)O)c1)c(=O)n2C1CCCC1	117709708	AMLADBZMQAZDAL-UHFFFAOYSA-N	382.468	2.432	0	1	GEAF	
COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CCN(C(=O)CCN1CCCC1)C2	141792192	XOHIHJCFTLRPCY-LTMIRXACSA-N	398.503	2.233	0	1	GEAF	
N=c1[nH]c2nc([C@@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)nc-2c(Cl)[nH]1	587147921	DABGQBLCUKEHMC-MRVPVSSYSA-N	378.770	2.165	0	1	GEAF	
C[C@@]1([C@@H]2C=C(C(=O)O)NN2c2ccccc2)N[C@H](C(=O)O)Cc2cc(F)ccc21	962894025	GWNVLYZBEKNGJH-DJPFJPOOSA-N	397.406	2.002	0	1	GEAF	
O=C1NC(=O)[C@@]2(CC[C@@]34Cc5ccc(O)cc5[C@@]3(CCN(CC3CC3)C4)C2)N1	1772577668	QCIIDNPIIDWWMQ-BDTNDASRSA-N	381.476	2.050	0	1	GEAF	
COc1ccc(CN[C@@H]2C[C@H](O)[C@H](CO)[C@@H]2Cc2ccnc(C3CC3)n2)cc1	2356288525	GCNJZQSQRMQYRO-BQJUDKOJSA-N	383.492	2.053	0	1	GEAF	
CN(C)c1ccc(C(=O)N[C@@H]2C[C@@H](c3nc(-c4ccncc4)no3)N(C)C2)cc1	2356300310	GVMFHDYHQZUBLA-AEFFLSMTSA-N	392.463	2.373	0	1	GEAF	
CC=C1CN2[C@H]3C[C@]45c6cc(OC)c(OC)cc6N[C@@]4(O3)[C@H]2C[C@H]1[C@H]5C(=O)OC	2356567934	CRKDVBVOAIRDNW-CMMPBFFNSA-N	398.459	2.263	0	1	GEAF	
CC(C)CCN1CC2(C1)CN(C(=O)c1ccccc1F)C[C@H]1COCCN12	2356751127	JRLZOYMCXYXEOQ-KRWDZBQOSA-N	375.488	2.083	0	1	GEAF	
COCC(=O)NC[C@@H]1C[C@H]2CCN1C[C@H]2CN1CCC(Cc2ccccc2)CC1	2356771005	NIHJNZRWNSXWFW-ZLNRFVROSA-N	399.579	2.414	0	1	GEAF	
COc1ccc(NC(=O)[C@H]2CCCN2c2nn3c(=O)cc(C)nc3s2)cc1	6807216	KPRYVGJCEZYMNX-CQSZACIVSA-N	385.449	2.076	0	3	GEAF	
CCNc1cccnc1N1CCN(C(=O)c2ccc(C(=O)NC(C)C)cn2)CC1	1483662	YIJZNLBJNNYYGP-UHFFFAOYSA-N	396.495	2.009	0	1	GEAF	
COc1cc([C@H](O)[C@H](CO)Oc2c(OC)cc(C(C)=O)cc2OC)ccc1O	14821398	JMORGSSZTVVOFT-OALUTQOASA-N	392.404	2.094	0	1	GEAF	biogenic
COc1c(O)cc(-c2cc(=O)c3c(O)c(OC)c(O)c(OC)c3o2)cc1O	15271822	GCDXUQLRRWVHLM-UHFFFAOYSA-N	376.317	2.308	0	1	GEAF	biogenic
C[C@H](CCCN1C(=O)CC(C)(C)CC1=O)N1CCN(c2ncc(F)cn2)CC1	29462145	SOXNWHSPEFIWGX-OAHLLOKOSA-N	391.491	2.082	0	1	GEAF	
O=C1CCC[C@@H]1C[C@@H](CN1CCOCC1)Sc1nnnn1-c1ccccc1	31871939	OCVJVQVHWWLVIP-WBVHZDCISA-N	387.509	2.215	0	1	GEAF	
Cn1c(C(=O)N2CCN(c3ccccn3)CC2)cc2c(=O)[nH]c3ccccc3c21	34858361	VYGZNPKEIPWGST-UHFFFAOYSA-N	387.443	2.377	0	1	GEAF	
COCC(=O)Nc1ccc(-c2noc([C@@H]3CCCN3Cc3ccncc3)n2)cn1	35425679	YVFMWACIWMQEHC-INIZCTEOSA-N	394.435	2.449	0	1	GEAF	biogenic
NCCCN(CCCN1CCc2ccccc2C1)S(=O)(=O)c1ccccc1	73159855	AUUJDSNHSKQDHS-UHFFFAOYSA-N	387.549	2.475	0	1	GEAF	
O=C(Nc1c2n(c(=O)n(Cc3ccc(F)cc3)c1=O)[C@@H]1CCCC[C@H]1N2)C1CC1	82206070	WWTRZLOTBPTKQV-HZPDHXFCSA-N	398.438	2.455	0	1	GEAF	
CC(=O)N1CC2(C1)[C@@H](c1ccc(-c3ccc(F)cc3)cc1)[C@@H](CO)N2C(C)=O	95794147	ZKEDJFSNOIYPIT-RTWAWAEBSA-N	382.435	2.400	0	1	GEAF	
O=C(NCC[C@H]1CC[C@H](NC(=O)C2CC2)[C@@H](CO)O1)Nc1ccc(Cl)cc1	95904452	GLBDSUNETLJFTE-IXDOHACOSA-N	395.887	2.286	0	1	GEAF	
O=S1(=O)CCCN1C[C@H](O)Cn1c2cccc(F)c2c2c(F)cccc21	148564443	HOVFCIQLOZMWIF-LBPRGKRZSA-N	380.416	2.469	0	1	GEAF	
Cn1nc(-c2ccccc2)cc1C(=O)N[C@H](CC(=O)NC1CCCCC1)C(=O)O	473146751	DAEVUDSYZMJUKO-QGZVFWFLSA-N	398.463	2.109	0	1	GEAF	
COc1cc(OC)c2[nH]c(COc3ccc(S(=O)(=O)N(C)C)cc3)nc2c1	586931375	BEHFBVJGMLCHFR-UHFFFAOYSA-N	391.449	2.409	0	1	GEAF	
COc1ccc(S(=O)(=O)N[C@H](c2nc3ccc(F)c(F)c3[nH]2)[C@@H](C)O)cc1	586939550	WFSKDLOTCRGTQE-PSLIRLAXSA-N	397.403	2.250	0	1	GEAF	
CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2ccc(-n3cnnn3)cc2[nH]1	587194929	ZWJJESBANPBYDR-CQSZACIVSA-N	386.460	2.056	0	1	GEAF	
COc1ccc(NC(=O)[C@H]2C(=O)c3cccc4c3N(CCC4)C2=O)cc1OC	957743220	KSSNCMNPXNTLEM-QGZVFWFLSA-N	380.400	2.434	0	1	GEAF	
O=C1NCC2(CCOCC2)[C@@]12NC1(CC1)Cc1ccc(Br)cc12	961616991	SINOUUFNYUCRIM-SFHVURJKSA-N	377.282	2.249	0	1	GEAF	
CN(C)C(=O)c1ccc2c(c1)[C@]1(CC(=O)N[C@H](Cc3ccccc3)C1)NCC2	962927666	XABIDQBITZVMJN-XXBNENTESA-N	377.488	2.251	0	1	GEAF	
C[C@]1(O)CCN(S(C)(=O)=O)[C@@H](c2cccs2)[C@@H]1NC(=O)c1ccccc1	2356288591	HSQCFHHNGMKSEM-BQFCYCMXSA-N	394.518	2.004	0	1	GEAF	
C[C@]12CC[C@@H](O)[C@](C)(CO)[C@@H]1CC[C@@H](O)[C@H]2CC(=O)NCc1ccccc1	2356321561	BBWGJBKNBIHRGJ-OYSQMQRMSA-N	375.509	2.240	0	1	GEAF	
O=C(CCO)N1[C@H]2Cc3cc4c(cc3[C@H]1Cc1cc3c(cc12)OCO3)OCO4	100974016	LRJWEFDICSRKNV-IYBDPMFKSA-N	381.384	2.250	0	1	GEAF	
O=C(C=Cc1ccccc1)O[C@H](c1ccccc1)[C@@H]1O[C@@H]2CC(=O)O[C@H]2[C@H]1O	2356589359	GDYNBHXFRSGEGM-YCDQRNBNSA-N	380.396	2.428	0	1	GEAF	
CN1CCN(CCCn2c3ccc(O)cc3c3c4c(ccc32)C(=O)NC4=O)CC1	40420320	UGTRDRXYGKOXBR-UHFFFAOYSA-N	392.459	2.021	0	1	GEAF	
CC(C)CCN1C(=O)[C@H](C2=NS(=O)(=O)c3ccccc3N2)C(=O)[C@@H]1C(C)C	137843365	OBBFXLGYWJLWCI-HOTGVXAUSA-N	391.493	2.298	0	1	GEAF	
CCc1ccc(N2C(=O)C[C@H](N3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)C2=O)cc1	20113596	CKOLHMOLPBZYCO-UWVAXJGDSA-N	391.471	2.162	0	1	GEAF	biogenic
O=C1[C@@]2(CO2)[C@H]2C[C@@H](c3ccccc3)[C@]1(CO)C=C2I	40829306	SFZSRBJFXQJCMU-YXAMBPQSSA-N	382.197	2.439	0	1	GEAF	
O=C(c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1)N1C[C@H]2COC[C@H]2C1	146300791	OZWRVBXQKWPWAA-OKILXGFUSA-N	379.407	2.044	0	1	GEAF	
C/C=C/c1ccc2c(c1)O[C@@H](CN(C)C)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O	95711443	KDXLDHVMUOGHJB-AQRPEHNKSA-N	382.526	2.050	0	1	GEAF	
C[C@@H]1N[C@H](c2ccccn2)NC(=O)[C@H]1CC(=O)NCC1(c2ccccc2)CC1	618015143	UZXWMJJBUIDSNU-KNBMTAEXSA-N	378.476	2.042	0	1	GEAF	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H]1CCS(=O)(=O)C1	587869787	RTKIBMIZYXBIDO-JTQLQIEISA-N	389.355	2.047	0	1	GEAF	
O=S(=O)(NCc1nc2ccc(F)c(F)c2[nH]1)c1ccc2c(c1)OCCO2	586942579	XKVXADPODQZVHT-UHFFFAOYSA-N	381.360	2.091	0	1	GEAF	
CCOc1cc(-c2cccc(F)c2)nn1C(=O)CSc1nnc(O)nc1O	587871766	CIDMVZNDRJPBTF-UHFFFAOYSA-N	391.384	2.117	0	1	GEAF	
CCC(=O)N[C@H](O)[C@]1(c2ccc(C)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	587430093	RBYUVSJSBOLZRZ-NPFVIJTESA-N	381.428	2.491	0	1	GEAF	
CC(=O)[C@@H]1[C@H](c2cccc(Br)c2)NC(=O)N[C@@]1(O)C(F)(F)F	12377532	CWAAEQZINSDVHP-SCVCMEIPSA-N	381.148	2.259	0	1	GEAF	
O=C(Nc1cc2nc[nH]c2cc1N1CCC(CO)CC1)c1cnn2cccnc12	1857601461	ZJRJENCIESBXJL-UHFFFAOYSA-N	391.435	2.067	0	1	GEAF	
O=C(NC[C@@H](c1ccccn1)N1CCOCC1)Nc1nnc(C2CCC2)s1	23192178	YKIMBNHEHDBAFE-HNNXBMFYSA-N	388.497	2.396	0	1	GEAF	
CNC(=O)c1cc([C@H](O)CN[C@H](C)CCc2ccc3c(c2)OCO3)ccc1O	26989182	ZUISJROWNZWYHH-FZKQIMNGSA-N	386.448	2.125	0	1	GEAF	
COC(=O)[C@H](N)[C@@H](O)c1c[nH]c(C(=O)CC(c2ccccc2)c2ccccc2)n1	28568542	JPFRYUMQTQBRTH-UXHICEINSA-N	393.443	2.348	0	1	GEAF	
C[C@@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N1Cc2ccccc2[C@@H]1C(=O)O	29566080	CUKQMSYVQGXHKG-MDASCCDHSA-N	396.443	2.219	0	1	GEAF	
CC(=O)N1C[C@@H](Oc2cccc(F)c2)C[C@@H]1C(=O)N1CCCN(C(C)C)CC1	49089575	BFFZPSVFXVRZFM-VQTJNVASSA-N	391.487	2.137	0	1	GEAF	
COc1cnc2n1Cc1ccccc1C=C2N1CCN(CC(C)(C)C(=O)O)CC1	58590739	XNVKJWRHFRDBHD-UHFFFAOYSA-N	396.491	2.480	0	1	GEAF	
CC[C@H](O)CO[C@H]1CN2Cc3cc4c(cc3[C@]13CC[C@@H](OC)C[C@H]23)OCO4	85828184	CAWUOMCIUGNLPP-IQWCHCKDSA-N	375.465	2.206	0	1	GEAF	
O=C(COc1cccc2cccnc12)NC[C@H](O)CN1Cc2ccccc2C1	217092491	DOONEOBBMQKESC-IBGZPJMESA-N	377.444	2.107	0	1	GEAF	
COc1ccc([C@H]2C[C@@H]2COc2cc(NCc3cccnc3)c(=O)n(C)n2)nc1	218353453	FWSLBPBISQHKKA-WBVHZDCISA-N	393.447	2.374	0	1	GEAF	
NC(=O)CNS(=O)(=O)c1cccc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)c1	586937397	ZOXIRTYIQVGLJH-UHFFFAOYSA-N	399.259	2.300	0	1	GEAF	
Nc1cc2nc(-c3cc(S(=O)(=O)N4CCC4)ccc3Cl)[nH]c2cc1N	586954838	HOUNAGZEEJHXDQ-UHFFFAOYSA-N	377.857	2.442	0	1	GEAF	
CC(=O)N[C@H](Cc1nc2c(N)ncnc2[nH]1)c1ccc(Br)cc1	586985603	PYGTVZADKDDMGU-LLVKDONJSA-N	375.230	2.118	0	1	GEAF	
CNC1=C[C@]2(C(Cl)=NN1C)c1ccccc1C[C@]1(C3CCC3)C(=O)NC(=O)N12	962640324	OBTUEGJHLAACPD-VQTJNVASSA-N	399.882	2.087	0	1	GEAF	
NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3C(=O)COCC3=O)cc2n1	1772576108	KNRBAMJMEOPLDS-UHFFFAOYSA-N	393.374	2.025	0	1	GEAF	
CCN(CC)CCCNC(=O)[C@@H](C)n1c2ccccc2c2nc(=O)cc(C)n21	2947836	BEJBBYUSLFINRU-MRXNPFEDSA-N	383.496	2.367	0	3	GEAF	
Cc1cc2ccccc2c(=O)n1CC(=O)NCC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C	4575816	OIKYAYVZXUPPOB-URLQWDBASA-N	383.492	2.367	0	1	GEAF	
CCOC(=O)[C@@H](C)Sc1nnc(CSc2nc3nc(C)cc(C)n3n2)o1	8444480	PCYAQJGEPSZALF-SNVBAGLBSA-N	394.482	2.460	0	3	GEAF	
CC(=O)OC1CN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C1	27890671	FWDSBOPYZSSIOZ-UHFFFAOYSA-N	378.331	2.065	0	1	GEAF	
CCCOc1cccnc1C(=O)N1C[C@@H]2CN(c3nc(C)cc(C)n3)C[C@@H]2C1	116826736	UGSRPYQZXOZSNE-CALCHBBNSA-N	381.480	2.486	0	1	GEAF	
COCC(=O)N[C@@H]1[C@@H](c2ccccc2)N(C(=O)C2CCCCC2)CC[C@@]1(C)O	2356527229	ZBTZWOSNBABGPS-KCZVDYSFSA-N	388.508	2.423	0	1	GEAF	
CN1C(=O)[C@@](c2ccncc2)(c2ccc(F)c(-c3cccnc3F)c2)N=C1N	34804995	NJOYZBUOTXBFIF-HXUWFJFHSA-N	379.370	2.452	0	1	GEAF	
CCc1nn(-c2ccnc(Nc3cccc(S(N)(=O)=O)c3)n2)c2ncccc12	84687612	PEKLXSAEMPACGS-UHFFFAOYSA-N	395.448	2.164	0	1	GEAF	
CN(C)CCNC(=O)CCc1ccc2n1[B-](F)(F)[N+]1=C(c3ccc[nH]3)C=CC1=C2	196857624	DYYUXMKNXUZBMO-UHFFFAOYSA-N	399.254	2.075	0	1	GEAF	in-vitro
CC(C)[C@@](C)(O)[C@H]1CN(c2ccc(F)c(-c3n[nH]c4ncccc34)n2)CCN1	95581050	PDSONWYECZHBAE-FOIQADDNSA-N	384.459	2.344	0	1	GEAF	
CN1CCO[C@H](CNC(=O)Nc2cc3[nH]nc(-c4ccc(F)cc4)c3cn2)C1	261174797	UOTQZFSHVSDXBA-CQSZACIVSA-N	384.415	2.216	0	1	GEAF	
COC[C@H](C)Oc1ccc2[nH]nc(-c3cc(N4CC[C@H](CO)C4)ncn3)c2c1	1772641390	CDUJVRHCULMZPI-KBPBESRZSA-N	383.452	2.252	0	1	GEAF	
O=C1CC[C@H](/C=C/[C@@H](O)Cc2ccccc2)N1CCCCSc1nnn[nH]1	13488399	CSYHDBJGSZIDDS-PFSJMHODSA-N	387.509	2.223	0	1	GEAF	
CC(=O)Oc1ccccc1C(=O)O[C@@]12[C@H]3[C@H]4C[C@@H]5[C@@H]6[C@H]4[C@@H]1[C@H]6[C@@]1(OCCCN21)[C@@H]35	169298990	WHDRGMZULYIHPP-IDTRYMMSSA-N	393.439	2.285	0	1	GEAF	
COc1ccccc1C(=O)N1CCn2c(nnc2C(=O)NC2CCCCC2)C1	205233045	SVUWLZARLDHWPE-UHFFFAOYSA-N	383.452	2.005	0	3	GEAF	
COCC(=O)Nc1cccc([C@H](NC(=O)OCc2ccccc2)C(=O)OC)c1	1857651629	QDBSPDHKWGSFIA-SFHVURJKSA-N	386.404	2.412	0	1	GEAF	
Cc1ccc(N2C(=O)C=C(C3=C(O)C(=O)N(c4ccc(C)cc4)C3=O)C2=O)cc1	6487169	VPWKCAQEGZVQHB-UHFFFAOYSA-N	388.379	2.489	0	1	GEAF	
COc1ccc(CNC(=O)c2nn(C)c3c2CS(=O)(=O)c2ccccc2-3)cc1	6839711	HGJDXOZGDYGHTR-UHFFFAOYSA-N	397.456	2.313	0	3	GEAF	
CCOC(=O)N1[C@H]2CC[C@@H]1C[C@@H](NCCNC(=O)c1cc(F)cc(F)c1)C2	101505650	LVJSDXZHGILYGI-OSYLJGHBSA-N	381.423	2.436	0	1	GEAF	
CCN[C@@H](C)[C@@H]1CCN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C1	27997525	YTQCENZFVOVHPV-NWDGAFQWSA-N	388.443	2.393	0	1	GEAF	
CN([C@@H]1CCN2CCc3ccccc3[C@@H]2C1)S(=O)(=O)CCN1CCCCC1	29215507	CKFZRPUKPZJGSX-CTNGQTDRSA-N	391.581	2.496	0	1	GEAF	
O=C(N[C@@H]1CO[C@@H]2[C@H]1OC[C@@H]2n1cc(CC2CCCCC2)nn1)c1ccco1	25426770	LPIDSFBINCSQHP-NEPXVJNWSA-N	386.452	2.131	0	1	GEAF	biogenic
C[C@]12CC[C@H](O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O	2356427096	OIPRFQNNGWFTIU-LXVXCMPFSA-N	388.504	2.495	0	1	GEAF	
CC=C1CN2CC[C@@]34c5ccccc5N[C@@H]3[C@H]2C[C@H]1[C@@]4(COC(C)=O)C(=O)OC	2356674368	FLECFYMISGFZLH-HQDNEAKPSA-N	396.487	2.495	0	1	GEAF	
Cn1cccc1C(=O)N[C@@H]1CCN2C(=O)c3ccc(Cl)cc3NC(=O)[C@@H]2C1	2356868980	XGSZFPNRZMJMRN-WBMJQRKESA-N	386.839	2.034	0	1	GEAF	
Cn1cncc1C(=O)N[C@@H]1CCN(c2ccnc(Nc3ccc(F)cc3)n2)C1	45168707	BWBLNSBBAPSFOJ-OAHLLOKOSA-N	381.415	2.102	0	1	GEAF	
Cc1cc(N)nc(C[C@@H]2CNC[C@@H]2NCCNCCc2ccc(Cl)cc2)c1	40940227	HWRHGOUNQXGWCL-XLIONFOSSA-N	387.959	2.178	0	1	GEAF	
CC(=O)NCCNC(=O)c1ccc(OCc2conc2-c2ccc(F)cc2)nc1	142497352	OQUMKNQHNICOQF-UHFFFAOYSA-N	398.394	2.321	0	1	GEAF	
CNS(=O)(=O)c1cccc(Nc2nc[nH]c3nc(Br)cc2-3)c1	146199633	CGGLCGPBRBEBNW-UHFFFAOYSA-N	382.243	2.324	0	1	GEAF	
CS(=O)(=O)N1CCc2c(ccc(-c3nc4cc(Cl)cnc4[nH]3)c2N)C1	586955274	NDDKLPOCSIYBOF-UHFFFAOYSA-N	377.857	2.178	0	1	GEAF	
NS(=O)(=O)c1cccc2nc(-c3cc(Br)cc(C=O)c3)[nH]c12	586981433	COIHZTSGKXFYAD-UHFFFAOYSA-N	380.223	2.452	0	1	GEAF	
CNC(=O)[C@@H](C)c1ccc(O[C@@H]2CCN(c3nc(N(C)C)ncc3F)C2)cc1	1772619857	JEHLVXURUVNFDR-XJKSGUPXSA-N	387.459	2.189	0	1	GEAF	
COc1cc2c(cc1OS(N)(=O)=O)NC(=O)N(Cc1ccccc1Cl)C2	1772650683	JNWYYFLVPVDFSF-UHFFFAOYSA-N	397.840	2.479	0	1	GEAF	
CCOc1n[nH]c2cc(NC(=O)N[C@H](c3ccccc3)[C@H](O)COC)ncc12	1772582669	KNHURGVCHBTDBT-NVXWUHKLSA-N	385.424	2.227	0	1	GEAF	
C[C@@H](c1ccc(-c2cccc(-n3cnnn3)c2)cc1)[C@H](N)C(=O)N1CC[C@H](F)C1	14948243	CJTOOQZVDDNOCD-DCPHZVHLSA-N	394.454	2.331	0	1	GEAF	
CCOc1ccc2nc(N3CCC[C@H]3C(=O)NCc3ccncn3)nc(C)c2c1	14966354	OWDJUZFPLCYGOY-IBGZPJMESA-N	392.463	2.412	0	1	GEAF	
Cc1ccc(CC(=O)N[C@@H](Cc2ccccc2)C(=O)NCCn2ccnc2)cc1	1857551015	IWYDHAWGEGGNJR-NRFANRHFSA-N	390.487	2.278	0	1	GEAF	
CCCN(C(=O)CCN)C1=C(C)C[C@H](c2ccccc2)N(CCC(=O)O)C1=O	28869390	JPQWTRDKNHOXQW-QGZVFWFLSA-N	387.480	2.296	0	1	GEAF	
N=C(N)c1ccc(C2=NO[C@H](CC(=O)N3CCCCC[C@@H]3CC(=O)O)C2)cc1	27519059	BJLCXFCSMAAMCW-CVEARBPZSA-N	386.452	2.100	0	1	GEAF	
CC(=O)N1CCN(C(=O)c2c(-c3ccc(Cl)cc3)noc2[C@@H](C)O)CC1	2356303376	SJKNENIRNOMLQA-LLVKDONJSA-N	377.828	2.353	0	1	GEAF	
CC(C)(C)C(=O)N1CC[C@@H](CC(=O)O)[C@@H](CCN2CCC(C(=O)O)CC2)C1	20462815	QITHQAWJSYCRMU-HOTGVXAUSA-N	382.501	2.159	0	1	GEAF	biogenic
Cc1ccc(N2C(=O)N[C@@H]3CCN(S(=O)(=O)c4ccc(C)cc4)[C@@H]3C2=O)cc1	4236390	VETJTIKUZRTXNZ-MSOLQXFVSA-N	399.472	2.191	0	1	GEAF	biogenic
O=S1(=O)N(CC[C@@H]2CNCCO2)c2ccccc2N1c1ccc(F)cc1	72120634	KKELNYPZMKZDOL-MRXNPFEDSA-N	377.441	2.407	0	1	GEAF	
CCONc1ncc(C)c(C2=CN=C(C(=O)N[C@H](CO)c3cccc(C)c3)C2)n1	89469380	UQKRMDPBSGFZHQ-GOSISDBHSA-N	395.463	2.492	0	1	GEAF	
COc1cccc(Nc2nc(N[C@H]3CCCC[C@H]3N)n3ccnc3c2C(N)=O)c1	40379769	QTQUGUWDCMAQRW-CABCVRRESA-N	395.467	2.262	0	1	GEAF	
COc1cc2c(cc1OS(N)(=O)=O)CC[C@H]1[C@H]2CC[C@]2(C)[C@H](O)CC[C@H]12	141975489	RWIXFHUXVURZCZ-KRZFULPNSA-N	381.494	2.495	0	1	GEAF	
C/C=C/CC(=O)O[C@H](c1cc2ccc(=O)oc2cc1OC)[C@@H](O)C(C)(C)O	238784789	ISUIJLNCTODZEL-ASIGSXEYSA-N	376.405	2.484	0	1	GEAF	
C[C@H]1CC(=O)N([C@@H](C)C(=O)N2CCN(c3ccccc3C(F)(F)F)CC2)C1=O	653780452	HICBEGXBNDGOAY-STQMWFEESA-N	397.397	2.138	0	1	GEAF	
CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2ccc(C(N)=O)cc2[nH]1	586965368	OTSDLIFGLLNLBG-UHFFFAOYSA-N	396.480	2.119	0	1	GEAF	
Cc1nc(OCC(=O)N(C)C2CCN(Cc3ccccc3)CC2)nc(C)c1N	43201087	UFFJZHVXSNLCEE-UHFFFAOYSA-N	383.496	2.177	0	1	GEAF	
CN(C)C(=O)c1ccc2c(c1)[C@]1(CC(=O)N[C@@H](Cc3ccccc3)C1)NCC2	962927662	XABIDQBITZVMJN-CVDCTZTESA-N	377.488	2.251	0	1	GEAF	
COc1cc2c(cc1OC)[C@]1(C(=O)Nc3cc(C(=O)O)ccc31)N(C)[C@H](C)C2	962618059	DVNYVAOIYLISOD-WSVYEEACSA-N	382.416	2.474	0	1	GEAF	
NCc1ccc(CCCn2ncc3c2nc(N)n2nc(-c4ccco4)nc32)cc1	13471740	SEYAPVQCSVXUEY-UHFFFAOYSA-N	388.435	2.408	0	1	GEAF	
COC(=O)C(C)(C)NC(=O)c1ccc(C2CCOCC2)c(OCC2CC2)n1	150076427	PCLSDGCRDLUBBX-UHFFFAOYSA-N	376.453	2.446	0	1	GEAF	
Cc1c(C(=O)N2CC3(C2)CC(F)(F)C3)cnn1-c1nc(O)c2ccn(C)c2n1	1857596715	AQEAHNHLZHTJIX-UHFFFAOYSA-N	388.378	2.039	0	1	GEAF	
CN(C)Cc1cc2cc3c(cc2n1C)CCCc1c-3[nH]c(=O)c(C(=O)O)c1O	142790886	WUPODPPXPRJWKT-UHFFFAOYSA-N	381.432	2.488	0	1	GEAF	
CC(C)(CCc1ccc2c(c1)OCO2)NC[C@H](O)c1ccc(O)c(C(N)=O)c1	27078666	HRQHLBYFQNPMAQ-KRWDZBQOSA-N	386.448	2.254	0	1	GEAF	
O=C1NC(=O)C(c2cn3c4c(cccc24)CNCC3)=C1c1cccc2c1OCO2	28136409	LGYPOTRKBGDLHM-UHFFFAOYSA-N	387.395	2.040	0	1	GEAF	
Cc1ccc(C(=O)N2CCN3[C@@H](CN(Cc4ccccc4)C[C@]3(C)CO)C2)cc1	2356303314	QLZYDQSMDMQVPU-LADGPHEKSA-N	393.531	2.388	0	1	GEAF	
CC(C)CCn1cc2c(nc(NC(=O)CCCN)n3nc(-c4ccco4)nc23)n1	28112530	RCYJDBBMPGYTAY-UHFFFAOYSA-N	396.455	2.458	0	1	GEAF	
CC(C)C[C@@H](CN1C(=O)C(=O)NC[C@@H]1CC(C)C)NC(=O)Cc1ccccc1	61959671	VDCRFUZPRVDMLI-OALUTQOASA-N	387.524	2.133	0	3	GEAF	
COc1ccccc1[C@H]1CN2C(=O)CN(N)C(=O)[C@@]2(C)c2[nH]c3ccccc3c21	2134269	AEKXBOQQURHNNE-IVZQSRNASA-N	390.443	2.082	0	1	GEAF	biogenic
Cc1cc(OC(=O)CCC[C@H](CO[N+](=O)[O-])O[N+](=O)[O-])n(-c2ccccc2)n1	95556152	YCQSBGKIUIIYPD-CQSZACIVSA-N	394.340	2.042	0	1	GEAF	
C[C@]12CC[C@@H]3[C@@H]([C@H](O)C=C4C[C@H](OS(N)(=O)=O)CC[C@@]43C)[C@@H]1CCC2=O	253685790	MNBRJVRSKWOGDJ-QERLDOHFSA-N	383.510	2.078	0	1	GEAF	
Cc1ccc(CN(C(=O)C[C@@H]2C(=O)N[C@H](c3ccccn3)N[C@H]2C)C2CC2)o1	618014316	REYIQNXYHDRVNV-GZRFBZBPSA-N	382.464	2.287	0	1	GEAF	
O=S(=O)(NC[C@H]1C[C@H]2CCN1C[C@@H]2CN1CCCC1)c1ccc(Cl)cc1	43526972	GOEFWMJPMAJBFU-SOLBZPMBSA-N	397.972	2.425	0	1	GEAF	biogenic
CN(C(=O)OC(C)(C)C)[C@H](Cc1ccccc1)C(=O)N[C@H]1CCCCNC1=O	61943207	DXJYORHEWJWSLT-DLBZAZTESA-N	389.496	2.250	0	3	GEAF	biogenic
CCCCO[C@@H]1C[C@H](C(=O)N[C@H](CO)[C@H](C)CC)N(C(=O)c2ccco2)C1	299876535	FWAFAYUTYQILIP-QBPKDAKJSA-N	380.485	2.203	0	1	GEAF	
COC(=O)[C@@H]1CNCC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1	587349044	SWPZVQILKACCKI-YRISNDGFSA-N	385.391	2.412	0	1	GEAF	
CCCCS(=O)(=O)N[C@H](c1nc2nc(Br)c[nH]c-2n1)C(C)C	586932128	AYEGBJLDHYCLQJ-JTQLQIEISA-N	390.307	2.484	0	1	GEAF	
CCOC(=O)c1cc(Br)c2[nH]c([C@@H](N)CCC(=O)OC)nc2c1	587258380	JKKGZJNXFHIYIE-JTQLQIEISA-N	384.230	2.455	0	1	GEAF	
COc1cc2c(cc1OC)[C@H](c1ccc(S(N)(=O)=O)cc1F)N(C)[C@H](C)C2	962617921	CLIDWUCDQXLZRF-WYRIXSBYSA-N	394.468	2.456	0	1	GEAF	
CN[C@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)O	13765453	IJJCVNWFPAZCQT-UXHICEINSA-N	382.460	2.178	0	1	GEAF	
CC(=O)N1C(=S)NC(C)=C(C(=O)OC(C)C)[C@H]1c1ccc2c(c1)OCO2	1857592992	YUCPGBQORCPINA-MRXNPFEDSA-N	376.434	2.419	0	1	GEAF	
CCCCO[C@H]1C[C@@H](C(=O)N[C@@H]2CCCC[C@@H]2O)N(C(=O)c2ccco2)C1	4547591	QPCJRTYAFRCPPY-YVSFHVDLSA-N	378.469	2.099	0	1	GEAF	
COC(=O)c1cc2nc([S@](=O)Cc3nccc(OC)c3OC)[nH]c2cc1C	8617734	RFJGNWGMCBFYTP-MHZLTWQESA-N	389.433	2.378	0	1	GEAF	
CC=C(C)C(=O)O[C@@H]1CC[C@@H]2C[C@]3(OC)OC(=O)C(C)=C3[C@@H]3OC(=O)[C@@H]1[C@@]23C	2356601133	KZURABRWVCJYOG-KYUJFQJKSA-N	390.432	2.442	0	1	GEAF	
COc1ccc(C2=NC3=C4C=C(Cl)C=C[C@@H]4OC(=O)[C@@H]3C(NC(C)=O)=N2)cc1	45391984	WRUOGFGOQNRTMP-HOTGVXAUSA-N	397.818	2.478	0	1	GEAF	
Cc1cnc(NC[C@@H](C)O)nc1-c1c[nH]c(C(=O)N[C@H](CO)c2ccccc2)c1	89469291	MWOQMLPVGIVZIK-RDTXWAMCSA-N	395.463	2.036	0	1	GEAF	
N=C(N)c1cccc(NC(=O)CNS(=O)(=O)c2cccc3ccccc23)c1	95566008	FOJOEWMJJIJGHT-UHFFFAOYSA-N	382.445	2.041	0	1	GEAF	
O=S(=O)(N[C@@H]1CCCN(Cc2cccc(OCCO)c2)C1)c1ccccc1	95784166	XTBYYXLGSXKXFF-GOSISDBHSA-N	390.505	2.001	0	1	GEAF	
S=C(NCc1ccco1)NC[C@H]1C[C@H]2CCN1C[C@@H]2CN1CCCCC1	43527075	DTHRTXROSODHPY-FGTMMUONSA-N	376.570	2.440	0	1	GEAF	biogenic
C[C@]12CCC[C@]3(C)C[C@H]4OC(=O)[C@@H](CN5CCC6(CC5)OCCO6)[C@H]4C[C@@]13O2	299879881	LJWNZMQUYNOCJV-PFPGHDFZSA-N	391.508	2.495	0	1	GEAF	
COc1ccc(S(=O)(=O)N[C@H](c2nc3cc(Cl)ncc3[nH]2)[C@@H](C)O)cc1	586938324	QFKHEOKOLSACCI-PSLIRLAXSA-N	396.856	2.020	0	1	GEAF	
COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2ccc(S(C)(=O)=O)cc2[nH]1	587231519	XTUIGQWLOBUAKC-KGLIPLIRSA-N	379.482	2.003	0	1	GEAF	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H]1CN2CCC[C@H]2CO1	587870080	VTHSVGSBMIKZQU-GXTWGEPZSA-N	396.369	2.476	0	1	GEAF	
Cn1cc(-c2ccncc2/C=C/C(=O)Nc2ccc(CNCCO)cc2)cn1	1772646561	DIMNILXDVRTLGC-QPJJXVBHSA-N	377.448	2.216	0	1	GEAF	
COc1ccc(S(=O)(=O)NCCCN2CCc3cc(OC)ccc3C2)cc1	13584495	ISHVQSMPOCPVLT-UHFFFAOYSA-N	390.505	2.431	0	1	GEAF	
CCNC[C@@H]1CCN(c2cc3c(c(N)c2F)c(=O)c(C(=O)O)cn3C2CC2)C1	13649679	LWSOMVSDXVVVAF-NSHDSACASA-N	388.443	2.192	0	1	GEAF	
COc1cc(NC(C)=O)c(Cl)cc1C(=O)NCC1[C@@H]2CC3C[C@H]1CN3C2	1484856	SEKBYKQAGUKZBE-DOOHLRMFSA-N	377.872	2.377	0	1	GEAF	
O=C(O)C[C@@H]1CCN(C(=O)C2CCOCC2)C[C@H]1Cc1nc2ccccc2[nH]1	2356305961	VVJXUCNVZQQRHU-JKSUJKDBSA-N	385.464	2.471	0	1	GEAF	
Cc1cccc2cc(CN(C[C@H]3CCCO3)C(=O)c3cnccn3)c(=O)[nH]c12	8584111	HCLWWWXXPYMUQE-QGZVFWFLSA-N	378.432	2.448	0	3	GEAF	
CCCNC(=O)N1CCC(O)(c2csc(CN3CCC[C@H]3COC)n2)CC1	2356318089	PNRUTUVMAQUQFH-HNNXBMFYSA-N	396.557	2.157	0	1	GEAF	
CCOC(=O)Cn1nnnc1/C(=C/c1ccc(F)cc1)NC(=O)c1ccccc1	1911580220	UMQCVTQWZOJTDX-ATVHPVEESA-N	395.394	2.303	0	1	GEAF	
C[C@@H]1CN(c2ccc(F)cc2)CCN1c1nc(-c2ccncn2)cc(=O)n1C	114414067	JNNSOGDGPPJJGF-CQSZACIVSA-N	380.427	2.092	0	1	GEAF	
CC(=O)N[C@H](C)[C@H](O)C[C@H](O)CCCCC[C@H](O)CCCCCCCO	2356728415	JIMOHLIIDCNPSU-VBSBHUPXSA-N	375.550	2.267	0	1	GEAF	
Nc1nc(C[C@@H](O)c2ccccc2C(F)(F)F)c(Br)c(=O)[nH]1	96914685	OXVIYOMSGJQTJP-SECBINFHSA-N	378.148	2.410	0	1	GEAF	
Cn1cc(-c2ccc3nc(C(=O)NCc4ccc5c(c4)OCO5)cn3c2)cn1	299820764	ILOUVEMQFSOGDK-UHFFFAOYSA-N	375.388	2.394	0	1	GEAF	
COc1cc2c3c(c1)O[C@](c1ccccc1)([C@H](O)SCC(=O)O)[C@@H](C2)C3=O	587448918	NDHXCABFWMKEPJ-KPOBHBOGSA-N	386.425	2.474	0	1	GEAF	
CC1=C[C@]2(CC(=O)N1CC(=O)O)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1	587583864	VJGSWIPFAZVGDM-WIYYLYMNSA-N	395.367	2.313	0	1	GEAF	
O=C(OCc1ccccc1)N1CCO[C@H](c2ccc3c(O)nc(O)nc3n2)C1	587559291	WVAVWZIKDBLOKG-HNNXBMFYSA-N	382.376	2.146	0	1	GEAF	
Cc1cc2c(cc1O)[C@]1(N[C@H](C(=O)O)C2)c2cc(C(=O)O)ccc2OC1(C)C	963467799	HOBJDFSMXFVXLK-BTYIYWSLSA-N	383.400	2.412	0	1	GEAF	
c1ccc(CCOc2ccc(-c3nnn(CCCCc4nnn[nH]4)n3)cc2)cc1	13452642	BBUGIFLIJAGLJE-UHFFFAOYSA-N	390.451	2.498	0	1	GEAF	
N=C(N)NCCC(=O)Nc1ccccc1S[C@@H](CC(=O)O)c1cccnc1	13589272	AWYVBIFDCLGGIK-HNNXBMFYSA-N	387.465	2.201	0	1	GEAF	
C[C@@H](C(=O)O)N(C)C(=O)c1ccc(NC(=O)[C@@](C)(O)C(F)(F)F)c(Cl)c1	13808722	ZOPYDEDEHVUGTC-JKYUHCHBSA-N	396.749	2.137	0	1	GEAF	
O=C(CO)N[C@H]1CC[C@H](CCN2CCN(c3nccc4occc34)CC2)CC1	169697005	PNHVOOVVCPJXPA-CALCHBBNSA-N	386.496	2.007	0	1	GEAF	
CCCc1ccc(Cc2ccc3c(c2)[C@]2(OC3)O[C@H](C)[C@@H](O)[C@H](O)[C@H]2O)s1	1857582031	GJNXFQGSYDOYAW-JLBFBPAZSA-N	390.501	2.476	0	1	GEAF	
O=C(Cn1c(=O)n(-c2cccc(F)c2)c(=O)c2ccccc21)NC1CCCC1	4906119	DPHRJHUEQQHWNU-UHFFFAOYSA-N	381.407	2.350	0	1	GEAF	
CCN(CC)P(=O)(COCCn1cnc2c(N)ncnc21)N(CC)CC	29488991	NLJSMCSQWXCQQZ-UHFFFAOYSA-N	383.437	2.259	0	1	GEAF	
O=C(CCc1ccccc1)c1cc(F)ccc1OC[C@@H](O)CN1CCNCC1	73165802	NEDSYOGUEQGNMM-IBGZPJMESA-N	386.467	2.286	0	1	GEAF	
CCCCCCC(=O)/C=C/CCCC/C=C/C[C@H](O)[C@@H](O)[C@@](N)(CO)C(=O)O	82047314	AHRPEPPVBKPDJQ-YSEILEGHSA-N	399.528	2.085	0	1	GEAF	
CN1[C@H]2CC[C@H]1CN(c1nc3c(cc1F)c(=O)c(C(=O)O)cn3C(C)(C)C)C2	100774181	JOBSUSVEXIDLEH-RYUDHWBXSA-N	388.443	2.272	0	1	GEAF	
CC(=O)N1Cc2cc(-c3ccc(/C=C4/NC(=S)NC4=O)s3)ccc2C1=O	103237725	QUMCWGHCWVBUQA-VGOFMYFVSA-N	383.454	2.263	0	1	GEAF	
C[C@@H](Cc1ccc(Cl)cc1)S(=O)(=O)Nc1ccccc1S(N)(=O)=O	143821563	BCKYAJYAYZILII-NSHDSACASA-N	388.898	2.360	0	1	GEAF	
COC(=O)[C@@]1(C)N[C@@H](c2ccccc2F)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21	169294988	GZAYNZRUDFMCMQ-VWXURSGXSA-N	382.391	2.208	0	1	GEAF	
COc1cncc(-c2ccc3[nH]nc(-c4cc(N5CCOCC5)ncn4)c3c2)n1	225573526	RMDXZNAQIMBMIR-UHFFFAOYSA-N	389.419	2.322	0	1	GEAF	
Cc1c(Br)ccc2nc(CS(=O)(=O)Cc3ccnn3C)[nH]c12	586921191	FRTRNHSMZUPIHM-UHFFFAOYSA-N	383.271	2.482	0	1	GEAF	
Cc1cc(Br)c2[nH]c(CS(=O)(=O)Cc3ccnn3C)nc2c1	586921304	FUTUGENYJVTLQI-UHFFFAOYSA-N	383.271	2.482	0	1	GEAF	
CNC(=O)[C@H](C)Oc1ccccc1[C@@H]1NCCc2ccc(C(=O)N(C)C)cc21	962932506	QIMHIUHCGKAPCX-XOBRGWDASA-N	381.476	2.137	0	1	GEAF	
CC(C)OC(=O)[C@H](Cn1ccnc1)NC(=O)c1cc(-c2ccc(F)cc2)on1	1857752607	GBOLRNHUOFOCPL-INIZCTEOSA-N	386.383	2.427	0	1	GEAF	
COc1ccccc1C(=O)Oc1cc(N)n(S(=O)(=O)c2ccc(C)cc2)n1	4034977	KGJOEFLJJDLLOW-UHFFFAOYSA-N	387.417	2.239	0	3	GEAF	aggregator
CS(=O)(=O)N1CCCC[C@H]1c1cc(C(=O)NCc2ccc(F)cc2)no1	61904410	PNQLGQSJAKYJDE-HNNXBMFYSA-N	381.429	2.230	0	3	GEAF	
CC(=O)N1CCC2(CC1)OC(=O)C(C)=C2C(=O)NCc1ccccc1Cl	8619044	GOWOKRSDMDLTOW-UHFFFAOYSA-N	376.840	2.211	0	1	GEAF	
C[C@H](CNC(=O)c1cn2ccnc(N3CCN(C)CC3)c2n1)c1ccccc1	28882298	XCUMYWBIOMDJEH-MRXNPFEDSA-N	378.480	2.015	0	1	GEAF	
O=C(O)[C@H]1N=C(c2c[nH]c3ccc(O)cc23)c2c(O)ccc3[nH]cc(c23)[C@H]1O	2356788613	CENUKZGRHMADRE-RBUKOAKNSA-N	377.356	2.398	0	1	GEAF	
Nc1scc2c(C(=O)NCC(F)(F)F)nn(-c3ccc(F)cc3)c(=O)c12	84711415	XGBMNUWIDZBUOQ-UHFFFAOYSA-N	386.330	2.461	0	1	GEAF	
O=C(C[C@@H]1CC[C@H](NC(=O)CC2CC2)[C@@H](CO)O1)NCc1ccc(Cl)cc1	95677586	QFAVGRCFIOJHOR-OKZBNKHCSA-N	394.899	2.171	0	1	GEAF	
CS(=O)(=O)n1ccc2cc(S(=O)(=O)c3ccc4c(c3)OCCO4)ccc21	95575643	VMRXYOXIWDJVJP-UHFFFAOYSA-N	393.442	2.053	0	1	GEAF	
COC(=O)C[C@H]1C=C[C@H](NC(=O)Nc2ccc(C(F)(F)F)cc2)[C@H](CO)O1	95677649	PYGNPVIZRZQEAZ-RDBSUJKOSA-N	388.342	2.075	0	1	GEAF	
CS(=O)(=O)c1ccc(/C=C(/C(=O)O)c2ccc(S(C)(=O)=O)cc2)cc1	95590334	SXULTIFYGABPKU-LFIBNONCSA-N	380.443	2.119	0	1	GEAF	
O=C(Nc1cccc(Cl)c1)N[C@H]1CC[C@@H](CCNC(=O)C2CC2)O[C@@H]1CO	95904260	JUGQZOVOVDNIIT-YESZJQIVSA-N	395.887	2.286	0	1	GEAF	
COc1cc2c(cc1OC)[C@]13CCN4C=C5CCO[C@@H]6CC(=O)N2[C@H]1[C@@H]6[C@H]5C[C@H]43	254111185	BUQWXEFUPCTDBF-IULUHUBYSA-N	394.471	2.457	0	3	GEAF	
CC(C)N1CC[C@H](S(=O)(=O)C[C@H]2C[C@@H](N(C)c3ncnc4[nH]ccc34)C2)C1	261153797	PMBVJRGBYOKWGM-XHSDSOJGSA-N	391.541	2.070	0	1	GEAF	
CS(=O)(=O)N1CCc2c(ccc(-c3nc4c(F)cnc(Cl)c4[nH]3)c2N)C1	586954463	BQCGFZLFXOWRGF-UHFFFAOYSA-N	395.847	2.317	0	1	GEAF	
CCOC(=O)[C@@H]1CN(C(=O)OCC)CC[C@]12CC(=O)c1cc(C)cc(N)c1O2	587395178	LBTICYPNKJUMOW-XOBRGWDASA-N	390.436	2.323	0	1	GEAF	
CC(C)(C)n1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN[C@@H](CF)C3)cc21	5834190	ASXNBCZKIRPSCF-NSHDSACASA-N	379.407	2.342	0	1	GEAF	
Cn1cnc2c(NCc3cccc(I)c3)nc(N)nc21	12405860	CRCODYWJYJOVSH-UHFFFAOYSA-N	380.193	2.162	0	1	GEAF	
COc1ccc2c3c([nH]c2c1)[C@@H]1C[C@H]2[C@H](C[C@@H](O)[C@H](OC)[C@H]2CO)CN1CC3	13145030	YCLAQLTVHNAEEQ-JJVVQNQRSA-N	386.492	2.100	0	1	GEAF	
COC(=O)[C@H](CSCc1ccc(F)cc1)NC(=O)c1cc(O)cc(O)c1	1857597279	HDVSCNZBFOJNJK-INIZCTEOSA-N	379.409	2.442	0	1	GEAF	
CN(CC(=O)Nc1ccc(F)c(F)c1)S(=O)(=O)c1cccc2nsnc12	4437003	FXHPOKRVZPKWCI-UHFFFAOYSA-N	398.416	2.229	0	3	GEAF	
CSCCCNC(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(Cl)c(F)c1	55371614	ZYJRWOXSEOXCDC-OAHLLOKOSA-N	387.908	2.039	0	1	GEAF	
CCCS(=O)(=O)NC(=O)[C@@]1(C)CCCN(C(=O)CSc2ccccc2)C1	61903052	PWYMTOZAHNIARK-SFHVURJKSA-N	398.550	2.263	0	3	GEAF	
COc1cc(C2=NN(C(N)=O)[C@H](Cc3ccccc3)C2)ccc1OCC(=O)O	28713554	MBHCWANZIIUEFS-OAHLLOKOSA-N	383.404	2.258	0	1	GEAF	
O=c1c2cccc3c2sn1CCNCCOc1cccc2nc(O)c-3nc12	36188420	DZSJECNZKMWWQI-UHFFFAOYSA-N	380.429	2.361	0	1	GEAF	
O=C(O)[C@H]1CC[C@@H](n2c(=O)cc(O)n(CCc3cccc(Cl)c3)c2=O)C1	96270130	FFEICVVFDOHMJP-GXTWGEPZSA-N	378.812	2.038	0	1	GEAF	
COCC(=O)N(C[C@@H]1N[C@@H](CO)[C@H]1c1ccc(-c2cccnc2)cc1)C(C)C	95895190	LCMOQOZTZIIBJI-ONTIZHBOSA-N	383.492	2.048	0	1	GEAF	
CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN[C@H](C)CO2	95688782	NSJHBAKZFARZIY-LBTNJELSSA-N	377.485	2.129	0	1	GEAF	
CC(C)NC(=O)Nc1ccc2c(c1)CC(=O)N(C)C[C@@H](C)[C@@H](CN(C)C)O2	95663739	WMMFWTNLFGFEGR-RDTXWAMCSA-N	376.501	2.176	0	1	GEAF	
C[C@H]1CN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C[C@H]1CN	299805990	MHZSKKXOLCASLP-VHSXEESVSA-N	377.391	2.344	0	1	GEAF	
C[C@@H]1C[C@@H](C)CN(C(=O)[C@H]2CCCN2c2nnc(N3CCCC3=O)s2)C1	299872691	MEEBRGIODCIWRH-MGPQQGTHSA-N	377.514	2.138	0	1	GEAF	
NCCCC(=O)Nc1ccc2nc(N3CCNCC3)nc(-c3ccccc3)c2c1	653727826	MGGOKBAROWIUPJ-UHFFFAOYSA-N	390.491	2.384	0	1	GEAF	
NS(=O)(=O)c1ccc(F)c(-c2nc3ccc(Br)c(O)c3[nH]2)c1	587142225	OLGXCBQRCZZSBU-UHFFFAOYSA-N	386.202	2.485	0	1	GEAF	
Cc1cc2c(cc1O)[C@](C)(/C=C1/Nc3ccccc3NC1=O)N[C@H](C(=O)O)C2	963505650	CGHBZHJNJPCFLA-UCAWPOJRSA-N	379.416	2.463	0	1	GEAF	
COc1cc2c(cc1OC)C(=O)[C@H](C(=O)OC[C@H]1CN1Cc1ccccc1)C2	1772637878	CJCRSGVCWCGTRH-OZHLYMNESA-N	381.428	2.486	0	1	GEAF	
CC(C)C[C@H]1NC(=O)[C@@H](S(=O)(=O)Cc2cccc(C(F)(F)F)c2)C1=O	169693711	JQLKDJXBTFQKGM-OCCSQVGLSA-N	377.384	2.102	0	1	GEAF	
CC(=O)N1CCC[C@H]1C(=O)N1CCC[C@@H]1C(=O)NC12CC3CC(CC(C3)C1)C2	1857631262	HDRPVJINVKLGIU-COZJESOBSA-N	387.524	2.073	0	1	GEAF	
C[C@H](CSC(=O)[C@H](C)NC(=O)C1CCCCC1)C(=O)N1CCC[C@@H]1C(=O)O	3831156	QIJLJZOGPPQCOG-VNHYZAJKSA-N	398.525	2.043	0	1	GEAF	
Cc1ccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)NCc3ccco3)[C@@H]4C2=O)cc1	4076250	RWKZFNODIXGMSY-VWNVYAMZSA-N	378.428	2.186	0	1	GEAF	
COC1=CC(=O)C=C(C(=O)O)[C@]12Oc1c(Cl)c(C)c(Cl)c(O)c1C2=O	15200227	BAJDPELVDLJCSG-INIZCTEOSA-N	385.155	2.445	0	1	GEAF	biogenic
CC(=O)Oc1c(C)c(C)oc(=O)c1Cc1c(OC(C)=O)c(C)c(C)oc1=O	15268755	KRBHOQHRHBDRGH-UHFFFAOYSA-N	376.361	2.268	0	1	GEAF	biogenic
O=C1[C@H]2CSCN2C(=O)N1CCCCNC[C@H]1CCc2ccccc2O1	73258841	APPZMJDNMFQDTM-HZPDHXFCSA-N	375.494	2.087	0	1	GEAF	
C/C=C/c1ccc2n(c1=O)C[C@H]1[C@@H]2N(CC2CCCC2)[C@@H](C(=O)N(C)C)[C@@H]1CO	95866979	PKOABIBVFFJYCF-ARIMGNKZSA-N	399.535	2.123	0	1	GEAF	
COc1c(O)cc(-c2cc(=O)c3c(O)c(OC)c(O)cc3o2)c(O)c1OC	200748127	ZGZONAJRKLUCIG-UHFFFAOYSA-N	376.317	2.308	0	1	GEAF	
OCCNc1nc(O)c(-c2nc3ccccc3s2)c(N[C@@H]2CCCNC2)n1	1772621368	GWWKOYOSFHTSLY-LLVKDONJSA-N	386.481	2.027	0	1	GEAF	
CC(=O)O[C@@H]1[C@@]2(C)C=C[C@]13[C@@H](CC2)[C@]1(C)CC[C@@H](O)[C@@](C)(CO)[C@H]1C[C@H]3O	2356461023	SDTBVAOPLRNVMA-UQOQFGLBSA-N	378.509	2.431	0	1	GEAF	
CC=C1CN2CC[C@H]1[C@]1(C(=O)OC)C(=O)[C@]3(C[C@@H]21)c1ccccc1N[C@@H]3OC	2356412855	DNSZEXZABZEHOW-ZKCBBZMJSA-N	382.460	2.105	0	1	GEAF	
O=C1NC(=S)N/C1=C/c1cc2cc(-c3ccc4c(c3)CCNC4=O)ccc2[nH]1	103237690	ALNODGVJMXRJSZ-VCHYOVAHSA-N	388.452	2.466	0	1	GEAF	
NCCCn1nc(C2=C(c3c[nH]c4ccccc34)C(=O)NC2=O)c2ccccc21	29125832	JTCKHMJGDNSURN-UHFFFAOYSA-N	385.427	2.434	0	1	GEAF	
O=C(NCc1cccs1)[C@@H]1[C@@H]2C=C[C@]3(CN(Cc4cccs4)C(=O)[C@H]13)O2	102127614	DXCOMXHKAVHGJW-CYJAXWMASA-N	386.498	2.408	0	1	GEAF	
O=C1N=C(O)[C@@]2(CCC(=O)N2c2ccc(OCc3ccccc3)cc2)C(=O)N1	28135975	AXEVJOXFWBOXDW-UHFFFAOYSA-N	379.372	2.338	0	1	GEAF	
CCCCS(=O)(=O)NC(=O)[C@]1(C)CCN1C(=O)C/C=C/c1ccccc1	61908355	XPSDBHQAXUGBIZ-BLRBJFNZSA-N	378.494	2.327	0	3	GEAF	
COCc1cc(C[C@@H]2CC[C@H](O)[C@H](CNCc3ccc(OC)cc3)O2)no1	2356333602	UQTHJSPUBPBGGS-IHPCNDPISA-N	376.453	2.070	0	1	GEAF	
CNCc1nnc(-c2ccc(N3C[C@H](CNC(C)=S)OC3=O)cc2F)s1	27410391	DPUSWKPWBMDHQO-NSHDSACASA-N	395.485	2.326	0	1	GEAF	
CNC(=O)c1ccccc1Nc1nc(Nc2cc(C)nn2C)nc2c1CCN2	221645448	WAJLXUAJVOTCNS-UHFFFAOYSA-N	378.440	2.333	0	1	GEAF	
CCN(C[C@H]1N[C@H](CO)[C@H]1c1ccc(-c2cccc(F)c2)cc1)C(=O)COC	95895152	AQAKAJMSJAYAPH-SJBKTWHCSA-N	386.467	2.404	0	1	GEAF	
C/C=C1/CN(C)[C@H]2Cc3c([nH]c4ccccc34)C(=O)C[C@@H]1[C@]2(CO)C(=O)OC	238767554	CZRUSFCSECMUDS-KZAFVVCYSA-N	382.460	2.325	0	1	GEAF	
COCC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2Cc1cc(F)ccc1F	95893811	PUCIFADZBZMUDH-QKNQBKEWSA-N	388.414	2.287	0	1	GEAF	
CC[C@@]1(C)CC(=O)N(CC(=O)N2CCN(c3cccc(Cl)c3)CC2)C1=O	653728681	KRMVSDMLOSIGRO-IBGZPJMESA-N	377.872	2.164	0	1	GEAF	
CO[C@@H]1O[C@H](O)[C@@]23[C@H](CCC(C)(C)[C@@H]12)OC(=O)[C@@]12C[C@H](CC[C@H]13)[C@@H](C)C2=O	653737399	OVJNATNESHNAMK-IDTJGZHJSA-N	378.465	2.277	0	1	GEAF	
COc1ccc(S(=O)(=O)N[C@H](c2nc3c(Cl)ccnc3[nH]2)[C@H](C)O)cc1	586937199	LAJPRJLMGFQLIF-ZANVPECISA-N	396.856	2.020	0	1	GEAF	
CCOC(=O)c1nocc1[C@]1(C2CC2)NCCc2ccc(C(=O)N(C)C)cc21	962927960	GBEZGXWDKQVYMT-OAQYLSRUSA-N	383.448	2.352	0	1	GEAF	
COc1cccc(-c2nc(Nc3ccc(S(N)(=O)=O)cc3)[nH]c3ncnc2-3)c1	1772627865	OBXSZLDWWVUSSV-UHFFFAOYSA-N	396.432	2.371	0	1	GEAF	
CN1CCN(CN2C(=O)C[C@H](C(c3ccccc3)c3ccccc3)C2=O)CC1	1772578000	VKPPFQJAOCKVPL-HXUWFJFHSA-N	377.488	2.399	0	1	GEAF	
COc1ccc([C@@H]2[C@H](C(=O)c3ccccc3)C(=O)C(=O)N2C[C@@H](C)O)c(OC)c1	169687295	JIRPRLPGOFAVAX-UPRAQXHNSA-N	397.427	2.036	0	1	GEAF	
CNc1nc(Nc2cc(OC)c(C(=O)NCCO)cc2Cl)ncc1Cl	169705087	YJTQFNBZGPUXBR-UHFFFAOYSA-N	386.239	2.299	0	1	GEAF	
O=C(Nc1ccc(C(=O)N2C[C@@H]3COC[C@H]3C2)cc1)N1Cc2ccncc2C1	166971537	NESWCBMPGCSXQO-QZTJIDSGSA-N	378.432	2.348	0	1	GEAF	
N#CN1CC[C@@H](NC(=O)c2ccc(N3CCC(Oc4ccccc4)CC3)nc2)C1	1857611345	QDOUYTYLACIKAP-GOSISDBHSA-N	391.475	2.415	0	1	GEAF	
COc1cc(C[C@@H]2C(=O)OC[C@@H]2[C@H](O)c2ccc(OC)c(OC)c2)ccc1O	205728119	YDYHLKYAFOTIKL-AUSJPIAWSA-N	388.416	2.483	0	1	GEAF	
COCCC(=O)N[C@@H]1CC[C@]2(C)CC[C@H]([C@H](C)C(=O)NC(C)C)[C@H](O)[C@@H]2[C@@H]1C	2356321630	GNYWSBGVOXZDEV-ZRHQJTOQSA-N	396.572	2.492	0	1	GEAF	
CC(C)C[C@@H]1NC(=O)C(SCC(=O)NCc2ccc3c(c2)OCO3)=C1O	100603431	PYHASXKGIWQKHN-LBPRGKRZSA-N	378.450	2.079	0	1	GEAF	
CO[C@@H]1[C@H](OC)[C@@H](OCc2ccccc2)[C@H](OCC(=O)O)O[C@@H]1CC(C)C	27649872	FKKRIXVGUJIXBK-DABHTEOTSA-N	382.453	2.474	0	1	GEAF	
CC(=O)N(CC(=O)N(C)[C@H](CN1CC[C@H](O)C1)c1ccccc1)c1ccccc1	28569381	SJHKJRARQHDQKM-FCHUYYIVSA-N	395.503	2.306	0	1	GEAF	
COC[C@@H]1CCCN1Cc1nc(C2(O)CCN(C(=O)C3CCC3)CC2)cs1	2356539107	CNOJLLHYQCHAOB-INIZCTEOSA-N	393.553	2.364	0	1	GEAF	
COc1ncc(Nc2ncc(C3(N)CC3)cc2-c2nc(C)nc(N)n2)cc1F	113234647	ZYWNQSJCUHOBKS-UHFFFAOYSA-N	382.403	2.058	0	1	GEAF	
O=c1cc(-c2ccnc(NC3CCOCC3)n2)ccn1[C@@H](CO)c1ccccc1	223540468	JSEIFJGDPNHSLS-FQEVSTJZSA-N	392.459	2.478	0	1	GEAF	
O=C1Nc2ccc(-c3ccccc3)cc2C(=O)N2CCN(C(=O)C3CC3)C[C@@H]12	25207120	ANEMJPYJXUCTQG-IBGZPJMESA-N	375.428	2.369	0	1	GEAF	biogenic
COC(=O)C1=CCC[C@H]2[C@@]1(CO)CC[C@@H](C)[C@]2(C)CCC1=C[C@H](O)OC1=O	238748472	BYFSMZRCILPVAM-YPULMROTSA-N	378.465	2.493	0	1	GEAF	
CC1=C[C@@]2(CC(=O)N1CC(=O)O)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1	587583862	VJGSWIPFAZVGDM-NQIIRXRSSA-N	395.367	2.313	0	1	GEAF	
COc1cc2c3c(c1)O[C@H](c1cccc(OCc4nnnn4C)c1)[C@@H](C2)C3=O	587440370	YWBZXXFVRGLHKD-MGPUTAFESA-N	378.388	2.286	0	1	GEAF	
CCn1nc(C)c([C@@]2(CC(=O)C(=O)OC)CC(=O)c3cc(C)cc(N)c3O2)c1C	587389712	ISBJUUKUOSIMDY-NRFANRHFSA-N	399.447	2.403	0	1	GEAF	
COc1ccc(S(=O)(=O)N[C@@H](c2nc3ccc(C)cc3[nH]2)[C@H](C)O)cc1	586937261	SDFYNEHZDJRXMX-YVEFUNNKSA-N	375.450	2.280	0	1	GEAF	
N=c1[nH]c(CCCOc2cccc(OCC(=O)O)c2)c(-c2ccccc2)c(=N)[nH]1	1857553699	GLZXSZDISRAVDP-UHFFFAOYSA-N	394.431	2.444	0	1	GEAF	
N#CN1CC[C@@H](NC(=O)c2cccc(N3CCC(Oc4ccccc4)CC3)n2)C1	1857607764	QOVKDRQPMRQLQR-QGZVFWFLSA-N	391.475	2.415	0	1	GEAF	
Cc1cc(O)c(=O)c(O)c2c1C[C@@H]([C@@](C)(O)C[S@](=O)c1ccccc1)CC2	72108050	JRNBDAVSAUMCRT-VKUOHJHSSA-N	388.485	2.430	0	1	GEAF	
Cc1cc(O)c2c3c1[C@H](O)C=C1C(C)(C)C(=O)c4c(O)cc(O)c(c4[C@@]13O)C2=O	2356574822	OKCBDYXNYLOVEE-RKFFSXRUSA-N	394.379	2.088	0	1	GEAF	
C[C@@H](NC(=O)c1csc(-c2ccccc2)n1)C(=O)OCCOCCN(C)C	82070762	BTDRBIONDXJTHL-CQSZACIVSA-N	391.493	2.050	0	1	GEAF	
NC1=N[C@@]2(CO1)c1cc(-c3cncnc3)ccc1OC1(CCCC1)C21COC1	149271663	STXYCGOXMYPZGQ-NRFANRHFSA-N	378.432	2.406	0	1	GEAF	
COc1cc(CN=c2nn[nH][nH]2)cc(Cl)c1OCc1ccc(C(=O)O)cc1	473150219	LKMRYDXMFDCSQY-UHFFFAOYSA-N	389.799	2.173	0	1	GEAF	
O=C1c2ccc(O)cc2O[C@]2(C[C@H]3CN[C@@H](C(=O)O)[C@H]32)[C@@H]1c1ccc(F)cc1	587346371	MGDMOFNVDUQUNZ-QTUMHPLISA-N	383.375	2.322	0	1	GEAF	
Cc1cnc(Cl)c2[nH]c(CCNS(=O)(=O)c3ccc(Cl)nc3)nc12	586942881	RWQRDCMGZYBSDF-UHFFFAOYSA-N	386.264	2.489	0	1	GEAF	
O=C(O)[C@@H]1Cc2c(ncn2Cc2ccccc2)CN1C(=O)COc1ccccc1	13446654	HODQIIYWLUQEAE-FQEVSTJZSA-N	391.427	2.348	0	1	GEAF	
CCC[C@@H]1C(=O)N(COC(=O)c2c(Cl)cccc2Cl)S(=O)(=O)N1C	1485697	STFKOBHKIOVRFY-LLVKDONJSA-N	395.264	2.295	0	1	GEAF	
CC(C)C[C@@H](CO[C@H]1CC(=O)N1)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C	5962774	MILNBBAYJXMUEC-CWRNSKLLSA-N	399.532	2.319	0	1	GEAF	
COC(=O)[C@@]1(C)CCC[C@@]2(C)[C@H]1CC[C@](O)(CO)[C@@H]2CCC1=CCOC1=O	13780210	WZJCQNSURSMOEO-QANQIFJLSA-N	380.481	2.369	0	1	GEAF	
CN1CCN(CC(=O)Nc2cc(-c3ccccn3)nc(-c3cccs3)n2)CC1	23360526	QFYGWYSCRHAECE-UHFFFAOYSA-N	394.504	2.453	0	1	GEAF	
COC(=O)C1=CNC=C2CN3CCc4c([nH]c5ccccc45)[C@@H]3C(=O)C(O)=C21	38321814	MBIQNOHCKIWJDK-GOSISDBHSA-N	377.400	2.006	0	1	GEAF	biogenic
COc1ccc(Cn2cnc3ccc4nc(C5=NCCN5)sc4c3c2=O)cc1	40566821	RQWBRHMWZUMVPV-UHFFFAOYSA-N	391.456	2.413	0	1	GEAF	
CC1=C(C(=O)OC2CCCC2)[C@H](c2ccc(S(C)(=O)=O)cc2)NC(=O)N1	40567064	UQDOXYQRUIGLGX-INIZCTEOSA-N	378.450	2.204	0	1	GEAF	
CN1CCC(C(=O)Nc2ccc(-n3cc4cccc(C(N)=O)c4n3)cc2)CC1	45347414	DZORYJZYAWVJHD-UHFFFAOYSA-N	377.448	2.405	0	1	GEAF	
COc1cc2c(cc1OC)CC(NC[C@H](O)c1ccc(O)c3[nH]c(=O)ccc13)C2	49073515	XRZOULQZLDILQH-SFHVURJKSA-N	396.443	2.041	0	1	GEAF	
Cc1ccc(NS(=O)(=O)c2cc3c(cc2NCCO)NC(=O)CC3)cc1C	73196708	WQEYRSZNQWSCKO-UHFFFAOYSA-N	389.477	2.393	0	1	GEAF	
CCOc1ccccc1-c1nc(C(=O)N(C)CC(=O)OCCN(C)C)cs1	82074107	CRAFKVJPOMMIJN-UHFFFAOYSA-N	391.493	2.386	0	1	GEAF	
COC(=O)C1=C[C@@H]2C3=C(NCCCN(C)C)c4ccccc4N(C)C3=N[C@@H]2C=C1	103159102	NUJSRCRWUJUDHI-ZWKOTPCHSA-N	392.503	2.455	0	1	GEAF	
Cc1cc(C)nc(N2C[C@@H]3CN(C(=O)c4ccccc4-c4ncn[nH]4)C[C@H]3C2)n1	116823194	NYDBXNHNMPHNGA-HOTGVXAUSA-N	389.463	2.087	0	1	GEAF	
Cc1nc(C(C)(C)NC(=O)c2ccc(N3CCC(=O)C3)c(OCC3CC3)n2)no1	206696372	JKPAUXYIFSKSGG-UHFFFAOYSA-N	399.451	2.006	0	1	GEAF	
Cc1cnc(Cl)c2[nH]c(-c3ccc4c(c3N)CCN(S(C)(=O)=O)C4)nc12	586955237	MDWGNCOIFWQAEH-UHFFFAOYSA-N	391.884	2.487	0	1	GEAF	
Nc1nc2ccc(S(=O)(=O)NNc3ccc(Br)cc3)cc2[nH]1	653701730	WYXZVGMKLWNJNH-UHFFFAOYSA-N	382.243	2.213	0	1	GEAF	
N[C@@H]1Cc2cc(F)ccc2[C@]12N[C@@H](C(=O)O)Cc1c(Cl)cc(F)c(F)c12	962960254	FMBUBEKPFOUPCC-LBTNJELSSA-N	382.769	2.483	0	1	GEAF	
COc1c(/C=C/C(=O)O)cc(NS(=O)(=O)c2cccs2)c2c1OCCO2	1857653621	ODMLNDSDVSLESC-SNAWJCMRSA-N	397.430	2.427	0	1	GEAF	
OC[C@H]1[C@H](Cc2ccnc(C3CC3)n2)[C@@H](NC2Cc3ccccc3C2)C[C@H]1O	2356289587	XRGDEMGWUVMJDZ-MYGLTJDJSA-N	379.504	2.011	0	1	GEAF	
CCNC(=O)NC[C@@H]1C=C(C)[C@@H](CC(=O)N2CCN(C)CC2)C[C@H]1C(C)C	2356510174	PNSAWJFEOWROMW-QYZOEREBSA-N	378.561	2.324	0	1	GEAF	
CC[C@@H]1C(O)=C2CC[C@@]3(C)C[C@H](C)[C@@H](O3)[C@H](O)C[C@H](CO)C(=O)C[C@H]1OC2=O	2356599222	RFAFYLCMVLAPHK-IGDATWHRSA-N	396.480	2.046	0	1	GEAF	
COc1cc(C[C@@H]2O[C@H](CC(=O)c3ccc(O)c(OC)c3)C[C@@H]2O)ccc1O	14685402	LAISPMSUAQZCQJ-IBZMOEQTSA-N	388.416	2.449	0	1	GEAF	biogenic
CNC(=O)[C@@H]1C[C@@H](NC2CCN(C)CC2)CN1Cc1cccc2ccccc12	19838742	SNFUCJDTXXRVQD-IRLDBZIGSA-N	380.536	2.213	0	1	GEAF	
O=C1[C@H]2CCSN2C(=O)N1CCCCNC[C@H]1CCc2ccccc2O1	73258620	DEWXSEHWONWXIE-HZPDHXFCSA-N	375.494	2.435	0	1	GEAF	
CC(/C=C/C(=O)N[C@](C)(CO)C(=O)O)=C\[C@@H](C)C(=O)c1ccc(N(C)C)cc1	84614537	VTYVYDJWZOWXEE-PLHVXFENSA-N	388.464	2.026	0	1	GEAF	
O=C(Nc1ccc(F)cc1)N[C@H]1C=C[C@H](CC(=O)N2CCCCC2)O[C@@H]1CO	95906043	GRROAJFSYBFQKD-FGTMMUONSA-N	391.443	2.034	0	1	GEAF	
Cc1nn(-c2ccc(=O)n(CC(=O)NCCc3ccccc3)n2)c(C)c1Cl	103280306	DRSUTNPLAWJGOS-UHFFFAOYSA-N	385.855	2.058	0	1	GEAF	
O=C1C(=O)N(CCN2CCOCC2)[C@@H](c2ccccc2)[C@H]1C(=O)c1cccs1	110684243	SKNWNDQUULIBLE-ROUUACIJSA-N	398.484	2.032	0	1	GEAF	
Oc1cccc(-c2cc3c(N4CCOCC4)nc(N4CCOCC4)nc3[nH]2)c1	143969838	LHDDJVLSHMJNRL-UHFFFAOYSA-N	381.436	2.004	0	1	GEAF	
Cc1ccccc1N1CCN(C[C@@H](O)CN2CCc3ccccc3C2)C(=O)C1	209700292	TYEGFULLXHVKBI-NRFANRHFSA-N	379.504	2.063	0	1	GEAF	
COc1cc(OC)c2[nH]c(CCNS(=O)(=O)c3ccc(Cl)nc3)nc2c1	586942457	LVZOPQRSTASRHW-UHFFFAOYSA-N	396.856	2.150	0	1	GEAF	
COC(=O)Cn1cc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nn1	587581195	KSVNBYIVLLCSAK-PXNSSMCTSA-N	395.371	2.034	0	1	GEAF	
C[C@H](/C=C/C(=O)O)[C@@]1(C(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	587601686	FKUZAFHHCFLXBV-DDBOTYDISA-N	384.340	2.454	0	1	GEAF	
COc1ccc(CCCc2nc3cccc(S(N)(=O)=O)c3[nH]2)cc1OC	587925388	NXYLWFYTZWMZDD-UHFFFAOYSA-N	375.450	2.403	0	1	GEAF	
CN(C)C(=O)c1ccc2cc(CCc3c(O)nc(O)nc3C(=O)O)ccc2c1	1772582334	DNSGQJMIZHXKKH-UHFFFAOYSA-N	381.388	2.226	0	1	GEAF	
COc1ccc(-c2ccccc2)cc1N1CCN([C@@H]2CCN(C#N)C2)S1(=O)=O	1857583486	MYKKNFPVMMZBHY-GOSISDBHSA-N	398.488	2.284	0	1	GEAF	
N=C(N)c1ccc(C[C@@H]2OB(O)c3cc(F)ccc32)cc1OCc1cccnc1	1857594568	OPVLRSNIYJHUNK-FQEVSTJZSA-N	391.211	2.085	0	1	GEAF	
CC(C)(C)C(=O)N1CC[C@H](CC(=O)O)[C@@H](CCN2CCC(C(=O)O)CC2)C1	2356851699	QITHQAWJSYCRMU-CVEARBPZSA-N	382.501	2.159	0	1	GEAF	
CC(C)(C)c1cc(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)no1	991142	YOBMGOJDJDQFNQ-UHFFFAOYSA-N	393.465	2.245	0	3	GEAF	
COc1ccc(-c2onc(C(C)(C)C)c2C(=O)NCCOCCO)c(OC)c1	2485771	ORKLENXCDJHQTR-UHFFFAOYSA-N	392.452	2.395	0	1	GEAF	
CC[C@@H]1CN(C(=O)c2cccnc2)CC[C@@H]1CC(=O)N[C@@H](CO)CC(C)C	25427751	MLGCDOQQOPHUAX-ZHALLVOQSA-N	375.513	2.483	0	1	GEAF	biogenic
NC(=O)c1cc([C@H](O)CN2CCN(c3ccc(Cl)cc3)CC2)ccc1O	26994534	ZUUJVRTUHLGCBC-GOSISDBHSA-N	375.856	2.000	0	1	GEAF	
Cc1c(C(=O)NCc2ccc3c(c2)OCO3)[n+](=O)c2cc(Cl)ccc2n1O	64491788	MBMVOQQHAUUKHA-UHFFFAOYSA-O	388.787	2.414	0	1	GEAF	
Cc1ccc(-c2nc(C(=O)N[C@@H](Cc3ccccc3)C(=O)OCCN)co2)cc1	82069076	MDOAAWMXASFTQK-SFHVURJKSA-N	393.443	2.493	0	1	GEAF	
CCCn1c(=O)c(NC(=O)c2ccncc2)c2n(c1=O)[C@@H](c1ccccc1)CN2	82210477	ODOIXIZWRWMJMX-MRXNPFEDSA-N	391.431	2.082	0	1	GEAF	
COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)C1CC1)CC31CCN(C)CC1	95865930	KHTGDORGKPGRIY-SFHVURJKSA-N	383.492	2.426	0	1	GEAF	
CC(C)NC[C@H](O)COc1ccc(CNC(=O)C(C)C)cc1Br	169335452	NNQYREYQGFOKGM-AWEZNQCLSA-N	387.318	2.459	0	1	GEAF	
O=C(c1csc(N2CCOCC2)n1)n1ncc2ccc(Cl)cc2c1=O	587653149	DNHWCVSJSLCICC-UHFFFAOYSA-N	376.825	2.032	0	1	GEAF	
C[C@@H](C(=O)N1CCN(c2ccc(C(F)(F)F)cc2)CC1)N1C(=O)C[C@@H](C)C1=O	653788945	HLGDVJHWIYCYBT-OLZOCXBDSA-N	397.397	2.138	0	1	GEAF	
COCCN1C(=O)[C@H]2C[C@@H](CN2Cc2cccc(OC)n2)Oc2ccccc21	2356302519	XMROGCHICTXIFB-FUHWJXTLSA-N	383.448	2.105	0	1	GEAF	
O=C(NCc1ccccn1)C1=CC2=N[C@H](c3ccco3)C[C@H](C(F)(F)F)N2N1	104014423	NLIWRAUVVMJLDF-SWLSCSKDSA-N	391.353	2.469	0	3	GEAF	
OC[C@H](O)CNc1cc2ncnc(Nc3cccc(Br)c3)c2cn1	21289128	JLXPNVOGDZTOJF-GFCCVEGCSA-N	390.241	2.296	0	1	GEAF	
COC(=O)c1ccc(OC[C@@H]2CC[C@H]3CN(c4ncccn4)CCN3C2)cc1	27857726	XAVXJXMGRFXIFC-AEFFLSMTSA-N	382.464	2.243	0	1	GEAF	
Cn1c(N2CCO[C@@H](c3ccc(N)cc3)C2)nc(-c2ccncc2F)cc1=O	113073196	CVARYQGFQNOCPT-GOSISDBHSA-N	381.411	2.142	0	1	GEAF	
COc1cc(OC)c(OC)c2c1N=C1OC[C@@H]3[C@@H]4C[C@@]12[C@H]1C[C@H]3C(=CCO)CN41	2356721913	SGRASRCZUGHSHN-JVOGCXDUSA-N	398.459	2.035	0	1	GEAF	
CN1C[C@@H](c2nc(C(=O)NCc3ccc(F)cc3)c(O)c3ncccc23)CC1=O	34884337	URAFNKWYZINOOU-ZDUSSCGKSA-N	394.406	2.350	0	1	GEAF	
CCc1c(C(=O)c2ccccc2)n(COCc2ccc(F)cc2)c(=O)n(O)c1=O	71317101	XDLYHOODTYRWHV-UHFFFAOYSA-N	398.390	2.354	0	1	GEAF	
O=c1ccc2ccc(Oc3no[n+]([O-])c3S(=O)(=O)c3ccccc3)cc2o1	299823272	DIUZLSWYMGPXDM-UHFFFAOYSA-N	386.341	2.040	0	1	GEAF	
CN(C)S(=O)(=O)c1ccc(OCc2nc3cc4c(cc3[nH]2)OCO4)cc1	586931824	LJFGNIHFRMYPBW-UHFFFAOYSA-N	375.406	2.121	0	1	GEAF	
Oc1nc(O)c(I)c(-c2nc3c(Cl)ccnc3[nH]2)n1	587183418	XSWNGJKKUYLMOG-UHFFFAOYSA-N	389.540	2.084	0	1	GEAF	
O=NCc1ccc(-c2nc3cc(C(=O)N4CCN(CCO)CC4)ccc3[nH]2)cc1	587190845	SWADWQPIUIIJJH-UHFFFAOYSA-N	393.447	2.246	0	1	GEAF	
O=C(COc1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1)N1CCCCC1	587557484	IONDOEOVXIZOBV-UHFFFAOYSA-N	380.404	2.494	0	1	GEAF	
COc1cc2c3c(c1)O[C@]1(C[C@H](C(=O)O)N(C(=O)OC(C)(C)C)C1)[C@@H](C2)C3=O	587438970	SECVSEXNTZABHR-RDXCRGQUSA-N	389.404	2.275	0	1	GEAF	
COC(=O)c1ccnc2nc(-c3cccnc3S(=O)(=O)C(F)(F)F)[nH]c12	587126889	HMOGKNZLVZMFRG-UHFFFAOYSA-N	386.311	2.100	0	1	GEAF	
COc1cc(NC(=S)NCCCn2cncc2C)ccc1OCCCN	1772577692	KJYIYOZUICFNIU-UHFFFAOYSA-N	377.514	2.304	0	1	GEAF	
O=C(Nc1ccccc1)c1cc2n(n1)CCCN(S(=O)(=O)c1ccco1)C2	1772648525	BAZNKSAULHMCLI-UHFFFAOYSA-N	386.433	2.323	0	1	GEAF	
CC(=O)c1cc(C(=O)N2CC[C@H](c3cc(-c4cnn(C)c4)cc(C)n3)C2)n[nH]1	1772634481	DXTOTRNBQCJEMI-AWEZNQCLSA-N	378.436	2.346	0	1	GEAF	
COC(=O)[C@H]1C[N@@]1[C@@H](CC(=O)OCc1ccccc1)C(=O)OCc1ccccc1	1857575159	VEQLIWRZBIPKMI-YYDVJCTNSA-N	397.427	2.089	0	1	GEAF	
O=C(NCCN1CCOCC1)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccccc1	4049066	LAEHUYWYUDZXJL-TZIWHRDSSA-N	379.460	2.227	0	1	GEAF	
CN1c2ccccc2N2C(=O)CN(CCN3CCCCC3)C(=O)[C@@H]2c2cccn21	6481591	HIQNARFENNRHFI-NRFANRHFSA-N	393.491	2.103	0	1	GEAF	
O[C@@H]1CC[C@@H](Cc2cc(-c3ccc(F)cc3)on2)O[C@@H]1CNC1CCNCC1	2356287598	MHAOBVGBIOTXFM-QKNQBKEWSA-N	389.471	2.273	0	1	GEAF	
COc1ccc(C(=O)N[C@H]2CN(Cc3ccc(C(=O)O)cc3)CCC[C@H]2O)cc1	2356841755	MHJLDUNSYHYZBQ-VQTJNVASSA-N	398.459	2.149	0	1	GEAF	
CC=C1CN(O)[C@H]2C[C@H]1[C@H](C(=O)OC)[C@]13C[C@@H](OC)O[C@@]21Nc1ccccc13	2356868501	XCLDTOXQHMMFCM-WCSPEABUSA-N	386.448	2.268	0	1	GEAF	
COc1ccc(CNCCCNC(=O)C2=CC(C)(C)NC2(C)C)c(OC)c1	40801791	UVWQGMJLTOOEGV-UHFFFAOYSA-N	375.513	2.387	0	1	GEAF	
COc1ccc(CN2Cc3c(nc4cc(-c5ccco5)[nH]n4c3=O)C2=O)cc1	138736600	ZVOKNHVZVNEVJS-UHFFFAOYSA-N	376.372	2.447	0	1	GEAF	
CNC(=N)NC[C@]1(C)[C@H]2CC3=C(C(=O)O)[C@@H](O)C[C@]31[C@H](C)CC21CCCC1	85548993	SWKFANOTEGEVNM-WULQFEBVSA-N	375.513	2.489	0	1	GEAF	biogenic,in-vitro
CN1C[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]2[C@@]12C(=O)Nc1ccc(Cl)cc12	195495923	LUNLEWAMTYKVKX-PSGMQZRDSA-N	399.809	2.378	0	1	GEAF	
COCCn1c(=O)c(NC(=O)CCC2CCCC2)c2n(c1=O)C[C@@H](C(C)C)N2	82206706	ATAOKHFCTKBKRV-HNNXBMFYSA-N	392.500	2.015	0	1	GEAF	
Cc1nn(-c2ccccc2)c2nc(C3CCN([C@@H]4CCNC4)CC3)nc(O)c12	147360627	UZKQARBBUKXBTR-QGZVFWFLSA-N	378.480	2.371	0	1	GEAF	
C/C=C/c1ccc([C@H]2[C@@H](CO)N(S(=O)(=O)CC)[C@@H]2CN(C)C(=O)CC)cc1	95871890	CSEYPPCRQPVGFO-UYUIHFPHSA-N	394.537	2.067	0	1	GEAF	
Cc1cc2ccnc(N[C@@H]3CCNC[C@H]3OC[C@H]3CC[C@H](O)CC3)c2nc1O	473098161	FMUZTANKSYDWRQ-VDHUWJSZSA-N	386.496	2.354	0	1	GEAF	
Nc1ccc(/C=C\c2nc3ccc(C(=O)N4CCN(CCO)CC4)cc3[nH]2)cc1	587252055	RTJKOTYYYZMYEN-BAQGIRSFSA-N	391.475	2.066	0	1	GEAF	
Brc1cnc(Br)c2[nH]c(C[C@@H]3COCCO3)nc12	586910524	QLEWRJOXKNOUBO-ZCFIWIBFSA-N	377.036	2.441	0	1	GEAF	
Nc1ncc(CCCNC(=O)c2cc(Br)c(Br)[nH]2)[nH]1	39061596	LTBPDTOBRXMEAA-UHFFFAOYSA-N	391.067	2.208	0	1	GEAF	
CC(C)(O)C(=O)N1CCC(CCCCNC(=O)N2Cc3ccncc3C2)CC1	167887346	ZZYMYMFXKPNVIX-UHFFFAOYSA-N	388.512	2.287	0	1	GEAF	
NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCN1C(=O)[C@H]1OCc2ccccc21	209412691	MGXXZJAVTUUIHX-OALUTQOASA-N	399.878	2.287	0	1	GEAF	
CC(=O)N1N=C(c2ccc(OS(N)(=O)=O)cc2)C[C@H]1c1ccc(F)cc1	1857555167	CVJMUMOSXWYGMQ-KRWDZBQOSA-N	377.397	2.106	0	1	GEAF	
COc1ccccc1-c1ccc(N2CCN([C@@H]3CCN(C#N)C3)S2(=O)=O)cc1	1857574315	GJSOFPNAZHUQAI-GOSISDBHSA-N	398.488	2.284	0	1	GEAF	
O=S1(=O)CCCN1C[C@@H](O)Cn1c2ccc(F)cc2c2cc(F)ccc21	148445251	XLBOUDFCXXKSDF-CQSZACIVSA-N	380.416	2.469	0	1	GEAF	
CC1(C)S[C@@H]2[C@H](NC(=O)NCc3ccc4ccccc4c3)C(=O)N2[C@H]1C(=O)O	28253893	BRAVKTFEGFSEHZ-HLLBOEOZSA-N	399.472	2.155	0	1	GEAF	
O=C1CN(S(=O)(=O)c2ccc(Cl)cc2)C(=O)/C(=C/c2ccccc2)CN1	28894202	GPUMIZHVRFVHSD-GXDHUFHOSA-N	390.848	2.071	0	1	GEAF	
O=C(NCc1ccccc1)c1cc([C@@H]2COCCN2C(=O)OCCF)on1	61928209	VQEHBRZKSIBMGF-HNNXBMFYSA-N	377.372	2.084	0	3	GEAF	
O=S(=O)(c1ccc(Cl)cc1)N1CCc2n[nH]cc2[C@@H]1c1cncnc1	49072369	INFDFYKJYGGPKY-INIZCTEOSA-N	375.841	2.190	0	1	GEAF	
Cc1cnc(N2CCC[C@H](C(N)=O)C2)nc1NCCCN(C)c1ccccc1	82204052	LAYDWANNAYHKFF-KRWDZBQOSA-N	382.512	2.425	0	1	GEAF	
COCCn1cc(C(=O)c2c(CO)oc3cc(Br)cnc23)cn1	587276652	PNLAOHAOYWFFKP-UHFFFAOYSA-N	380.198	2.157	0	1	GEAF	
COC(=O)Cn1cc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nn1	587581196	KSVNBYIVLLCSAK-XLIONFOSSA-N	395.371	2.034	0	1	GEAF	
CN1CCN(c2ccc3nc(Cc4ccccc4NS(C)(=O)=O)[nH]c3c2)CC1	586949363	UQBZJWLITMEEKJ-UHFFFAOYSA-N	399.520	2.277	0	1	GEAF	
Cc1cc(Nc2nc(C(=O)N3CCN(C)CC3)nc3ccc(Cl)cc23)n[nH]1	1772592259	DATKIMBDADJJNR-UHFFFAOYSA-N	385.859	2.446	0	1	GEAF	
O=C(c1cc(Br)c(Br)o1)N1C[C@H]2CNC[C@@H](C2)C1	169711273	QCALFEPRDXKIOG-HTQZYQBOSA-N	378.064	2.486	0	1	GEAF	
COCC1=C[C@@](C)(c2cc(NC(=O)c3ccc(C#N)cn3)ccc2F)N=C(N)O1	148092677	PBAGMXJDUUVRJA-FQEVSTJZSA-N	395.394	2.435	0	1	GEAF	
C[C@H]1Cc2cc3c(cc2C(c2ccc(N)cc2)=NN1C(=O)CN(C)C)OCO3	25987497	VEVUOGVEZTZYQB-ZDUSSCGKSA-N	380.448	2.085	0	1	GEAF	
O=C(O)CN1CN(Cc2cc(F)c(F)cc2F)S(=O)(=O)c2ccccc21	66259633	WENJLAOCWKTZHC-UHFFFAOYSA-N	386.351	2.157	0	1	GEAF	
OCC(CO)Nc1cc2ncnc(Nc3cccc(Br)c3)c2cn1	21289336	ANVYMDPUMZNGLO-UHFFFAOYSA-N	390.241	2.296	0	1	GEAF	
CCNC[C@H]1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(CCF)c3c2F)C1	25963117	DYJAOVPMMTZXCS-LLVKDONJSA-N	397.397	2.383	0	1	GEAF	
COc1c2c(cc3c1[C@@H]1[C@@H](c4ccc5c(c4CN1C)OCO5)[C@H](O)C3)OCO2	2356615534	FYMTWGUKLAVFLL-JEBQAFNWSA-N	383.400	2.340	0	1	GEAF	
C[C@@]1(CCc2cccc(O)c2)Oc2cc3oc(CO)cc(=O)c3c(O)c2C[C@@H]1O	2356644439	GGHAEUOIFSGRPC-UGKGYDQZSA-N	398.411	2.384	0	1	GEAF	
O=C(O)C(=O)N(c1ccccc1C(=O)O)c1ccccc1N1CCC[C@H](CO)C1	43020989	BQYKNMLBSHTVHK-AWEZNQCLSA-N	398.415	2.343	0	1	GEAF	
CC(=O)N(C)C[C@H]1[C@@H](c2ccc(-c3cccnc3)cc2)[C@@H](CO)N1C(=O)C1CC1	95871795	FDVJJZIWDWLSSN-BHDDXSALSA-N	393.487	2.292	0	1	GEAF	
O=C(Nc1nc2cc3c(cc2[nH]1)OC(F)(F)O3)c1cccc(-c2nnn[nH]2)c1	299820793	DRZUBQLBUDBSAP-UHFFFAOYSA-N	385.290	2.317	0	1	GEAF	
Cc1cc(N)c2c(c1)C(=O)C[C@@](CN)(c1ncn(Cc3ccccc3)c1N)O2	587389083	FAYFCZHZQFMFET-OAQYLSRUSA-N	377.448	2.224	0	1	GEAF	
COC(=O)c1ccc2nc(CN(C)S(=O)(=O)c3ccc(Cl)cc3)[nH]c2n1	586928618	GCHKDXMBPCLWMM-UHFFFAOYSA-N	394.840	2.219	0	1	GEAF	
O=C(O)CNc1ncc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1	587574548	XIWLSEPORITAQE-APWZRJJASA-N	393.355	2.382	0	1	GEAF	
Cc1nn(C)c(C)c1[C@]1(C(N)=O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	587579236	CQDVNSHKSRKSMC-UTKZUKDTSA-N	393.399	2.085	0	1	GEAF	
CC(=O)C(C(C)=O)[C@]1(C)N[C@@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21	962708930	LDONCOUPWPOMSF-CZUORRHYSA-N	375.318	2.453	0	1	GEAF	
CS(=O)(=O)N1CCC([C@@H](O)c2cncnc2Sc2ccc(F)cc2)CC1	1772583549	VPHKETSVGHNSAC-MRXNPFEDSA-N	397.497	2.472	0	1	GEAF	
Cc1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3c(C)nn(C)c3C)C2)c1	5005308	QUQMWXRZMWVFLN-INIZCTEOSA-N	390.509	2.385	0	3	GEAF	
C[C@H]1CCCC[C@H]1NC(=O)CN1C(=O)N[C@@](C)(c2cc(F)ccc2F)C1=O	13126700	NXEKPOXBGMWIQE-CQOVVYFZSA-N	379.407	2.427	0	1	GEAF	
Cc1cc(C)c(S(=O)(=O)NC2CCN(C3CCN(C)CC3)CC2)c(C)c1	1857589646	WWKDJHQXZABDAX-UHFFFAOYSA-N	379.570	2.449	0	1	GEAF	
C[C@@](O)(C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)C(F)(F)F	1540212	JHULBHUJZSPGJA-CQSZACIVSA-N	380.388	2.113	0	1	GEAF	
CC(C)N(C)[C@@H]1c2ccccc2C2(CCN(C(=O)c3ccnnc3)CC2)[C@H]1O	20601125	XCFFYFFVURIPSF-UXHICEINSA-N	380.492	2.406	0	1	GEAF	
CS(=O)(=O)Nc1cc([C@H](O)CNC23CC4CC(CC(C4)C2)C3)ccc1O	26825232	QRIYMRKDVRWWCY-HPXCNGPASA-N	380.510	2.356	0	1	GEAF	
c1cc2c(N3CCCCC3)cc(N3CCOCC3)nc2nc1N1CCOCC1	32037622	UOYUOPLWJNJNAZ-UHFFFAOYSA-N	383.496	2.293	0	1	GEAF	
CCOCCO[C@@H]1CCC([N+](=O)[O-])=C2N(Cc3ccc(Cl)nc3)CCN21	35273271	YHAGMTMCUCFGED-MRXNPFEDSA-N	382.848	2.471	0	1	GEAF	
CCCNC(=O)N1[C@H](CNC(=O)c2ccccc2)[C@H](c2ccccc2)[C@@H]1CO	95895332	BDBCNCHRSQLNJW-AABGKKOBSA-N	381.476	2.365	0	1	GEAF	
CNS(=O)(=O)c1cccc(Nc2nc[nH]c3ncc(Br)c2-3)c1	146132945	KVTPQZZMIHGOTJ-UHFFFAOYSA-N	382.243	2.324	0	1	GEAF	
Cc1c(N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@H]3C2=O)c(=O)n(-c2ccccc2)n1C	169295024	QKMUGOSVGDEHFO-BLONOQDTSA-N	375.428	2.042	0	1	GEAF	
CC(C)C[C@H](NC(=O)c1ccc(N2CCC[C@H]2C)c(OCC2CC2)n1)C(N)=O	207728336	VNWISLWPGGGFRQ-PBHICJAKSA-N	388.512	2.489	0	1	GEAF	
Cc1cncc(-c2cc3c(cn2)cnn3-c2cccc(N3CCCNCC3)n2)n1	211040756	OZGQEEVEYNXVFZ-UHFFFAOYSA-N	386.463	2.381	0	1	GEAF	
COc1ccc([C@H]2C[C@@H]2COc2cc(NCc3cc(C)no3)c(=O)n(C)n2)nc1	218376507	NYPXQFSAEKKVHA-CJNGLKHVSA-N	397.435	2.275	0	1	GEAF	
Nc1cnc(-c2ccc(C3CCC3)c(OC[C@H](O)Cn3ccnn3)c2F)cn1	224584139	UKYQDDQZFDMPCG-CYBMUJFWSA-N	384.415	2.164	0	1	GEAF	
Cc1cc(S(N)(=O)=O)ccc1OCc1nc2ccc(Br)nc2[nH]1	586929787	FYLUUWWDYKJPMF-UHFFFAOYSA-N	397.254	2.255	0	1	GEAF	
CC(C)(C)c1ccc2nc(-c3cccc(S(=O)(=O)NCC(N)=O)c3)[nH]c2c1	586935575	IOMPWFMTURIASV-UHFFFAOYSA-N	386.477	2.291	0	1	GEAF	
COC(=O)c1cccc2nc(CNS(=O)(=O)c3ccc(F)c(F)c3F)[nH]c12	587134690	VMPCUWZCOPBVFH-UHFFFAOYSA-N	399.350	2.245	0	1	GEAF	
Cc1cc2c(cc1O)[C@@]1(N[C@H](C(=O)O)C2)C(=O)Nc2c(F)cc(Cl)cc21	963469789	KIZWREWDQRJCKC-UGSOOPFHSA-N	376.771	2.288	0	1	GEAF	
CN(c1cccc(-c2ccc3c(=NC(=O)C4CC4)[nH][nH]c3c2)c1)S(C)(=O)=O	1857616551	XMMNMFOLOBSNMO-UHFFFAOYSA-N	384.461	2.396	0	1	GEAF	
O=C(C=Cc1ccc(O)cc1)OCC(O)COC(=O)C=Cc1ccc(O)cc1	2356475624	KBVRKOFXCCIDFX-UHFFFAOYSA-N	384.384	2.272	0	1	GEAF	
CC(=O)OC[C@]1(O)CC[C@@]23C[C@H]1C=C2C=C[C@H]1[C@]3(C)CC[C@H](O)[C@@]1(C)CO	2356695248	YSZOPKFZKQTCBL-UKUMXFBISA-N	376.493	2.353	0	1	GEAF	
O=C(CN(C(=O)[C@@H]1COc2ccccc2O1)c1ccccc1)NC[C@@H]1CCCO1	898136	SBIIPUXMIXCTEY-PXNSSMCTSA-N	396.443	2.155	0	3	GEAF	
CC(C)(C)C(=O)OC[C@H]1C(=O)OC[C@H]1C(=O)N1Cc2cc3ccccc3nc2C1	13214626	CXOSVPBPIYWQCY-HZPDHXFCSA-N	396.443	2.456	0	1	GEAF	
Cc1ccccc1Cn1c(C)c(C(=O)C(N)=O)c2c(OCC(=O)O)cccc21	13445790	UQSKCAIMRNCJQO-UHFFFAOYSA-N	380.400	2.438	0	1	GEAF	
CCCn1c(=O)c2[nH]c(-c3ccc(OC(C)(C)C(=O)O)cc3)cc2n(C)c1=O	13679000	RPUFLZDNVDPHEC-UHFFFAOYSA-N	385.420	2.347	0	1	GEAF	
COc1cc2c(cc1OC)[C@H](O)[C@H]1c3ccc(OC)c(OC)c3CC(=O)N1CC2	39062404	NGQVCVNGCPSBRV-RTWAWAEBSA-N	399.443	2.437	0	1	GEAF	biogenic
CN1CC=C(c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)CC1	42891466	BZOWNIJHXYCDBS-UHFFFAOYSA-N	386.399	2.257	0	1	GEAF	
CC1=C(Sc2cccc(Br)c2)[C@H](COCCO)C(=O)NC1=O	102807484	ZLFJCZVDOSFNSI-LBPRGKRZSA-N	386.267	2.097	0	1	GEAF	
CNCc1cn(S(=O)(=O)c2ccc(OC)cn2)c(-c2cccnc2F)c1F	117257050	CFFJJALLUPXHRP-UHFFFAOYSA-N	394.403	2.188	0	1	GEAF	
CNC(=O)c1nc(-c2cc(OC)c(OC)c(OC)c2)n(-c2ccc(OC)cc2)n1	169310556	VOOQIMUIEDWGMD-UHFFFAOYSA-N	398.419	2.328	0	1	GEAF	
O=C(c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12)N1CC(O)C1	169704139	OVSWBIYHLZFTTJ-QGZVFWFLSA-N	399.401	2.166	0	1	GEAF	
CCCS(=O)(=O)N1CCC(c2nc3ccc(C(=O)OC)c(OC)c3[nH]2)CC1	586953626	WHVZWUUJOLXRFP-UHFFFAOYSA-N	395.481	2.277	0	1	GEAF	
COC(=O)c1ccc2nc([C@@H](CC(=O)O)NC(=O)OCc3ccccc3)[nH]c2n1	587202433	IANQTBPULSYCQJ-CQSZACIVSA-N	398.375	2.187	0	1	GEAF	
N[C@@H](N=O)c1ccc2nc(C[C@H](NC(=O)OCc3ccccc3)C(=O)O)[nH]c2c1	587203011	MKGCBYDUBKPSFZ-RDJZCZTQSA-N	397.391	2.209	0	1	GEAF	
CN1C=N[C@H]2[C@@H]1C(=O)N(CCCCc1cc3c4c(cccc4n1)CC3)C(=O)N2C	587213116	TVCIRUUINBCYGV-WOJBJXKFSA-N	391.475	2.219	0	1	GEAF	
COC(=O)C1CCN(C(=O)C[C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)CC1	587435381	GAEQJBWDVPYQHS-QVKFZJNVSA-N	387.432	2.003	0	1	GEAF	
CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1cc(=O)n(C)c(=O)n1C	587866096	FQGVMTBSHRANLN-UHFFFAOYSA-N	394.353	2.354	0	1	GEAF	
NCCNc1cc(N2CCN(C(=O)Cc3ccccc3)CC2)nc2ccccc12	653819830	HHJNSWUHUTXCSL-UHFFFAOYSA-N	389.503	2.497	0	1	GEAF	
O=C1O[C@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H](O)O[C@@H](c3ccc4c(c3)OCO4)[C@H]12	2356447961	KRRNYMLYOLMYMS-IEWDOMPSSA-N	384.340	2.064	0	1	GEAF	
CC(C)(C)N1C(=O)c2ccccc2NC(=O)[C@H]1C(=O)NCCOc1ccccc1	95604334	GMBMJNWFEJZHGW-GOSISDBHSA-N	395.459	2.443	0	3	GEAF	
Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc(NCCN2CCCCC2)nc1	73293097	KSTANGOMVMSRPG-UHFFFAOYSA-N	392.529	2.131	0	1	GEAF	
NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCNC(=O)C3)cc2n1	221601100	UTGCEMUVCISALH-UHFFFAOYSA-N	378.407	2.072	0	1	GEAF	
CCc1nc(C(=O)N[C@H](CSCc2ccccc2)C(=O)OCCN)cs1	82071603	LFLYOKMSXFSPIW-OAHLLOKOSA-N	393.534	2.239	0	1	GEAF	
O=C1N=C2[C@H](C(=O)N=C3SC([N+](=O)[O-])=CN32)[C@H](c2ccc(Cl)cc2)N1	95582438	BNTBDZIIXWTKBX-ZJUUUORDSA-N	377.769	2.140	0	1	GEAF	
NCCCc1cc2cc[nH]c(=O)c2c(Nc2ccc(N3CCOCC3)cc2)n1	96174439	MKILIVUEQNFIIU-UHFFFAOYSA-N	379.464	2.395	0	1	GEAF	
COc1ccc(-n2c(C)nc3ccc(C(=O)c4cnn(C)c4O)cc3c2=O)cc1	299833612	HTZRYDDJLFUPQQ-UHFFFAOYSA-N	390.399	2.373	0	1	GEAF	
C[C@@H](c1ccc(-c2cc(F)c(=O)n(C)c2)cc1)[C@H](N)C(=O)N1CC[C@H](F)C1	14947709	QRBOKLSWFCGDFM-IWEFOYFVSA-N	375.419	2.193	0	1	GEAF	
C[C@H](NC(=O)c1[nH]cnc1C(=O)N(C)Cc1ccccc1)C(=O)OC(C)(C)C	15924593	VSOUIJJDYMMLOS-ZDUSSCGKSA-N	386.452	2.142	0	3	GEAF	
CC(=O)c1cc2c(cc1NS(=O)(=O)c1ccc3c(c1)OCCO3)OCO2	1351294	OYFXWKVNKRLADN-UHFFFAOYSA-N	377.374	2.190	0	3	GEAF	
CNCc1cn(S(=O)(=O)c2cnccc2C)c(-c2cccnc2F)c1F	117253783	AQRCHUABBHCXOX-UHFFFAOYSA-N	378.404	2.488	0	1	GEAF	
COc1c2c(cc3c1OCO3)[C@@H]1[C@@H](c3ccc4c(c3CN1C)OCO4)[C@H](O)C2	2356566820	VVBOWTYRWIESFW-FHLIZLRMSA-N	383.400	2.340	0	1	GEAF	
NCCCNCCCCNCCCN1C(=O)c2cccc3cccc(c23)C1=O	40915196	VXZFCABGUMWSHC-UHFFFAOYSA-N	382.508	2.134	0	1	GEAF	
COC(=O)[C@]12CC[C@]34CCCN5C[C@H](C(=O)C3)[C@@]1(c1cccc(OC)c1N2)[C@@H]54	95913678	DURZPTVMWVJYBB-TVTJTFRUSA-N	382.460	2.118	0	1	GEAF	biogenic,in-vitro
CC(=O)N1CCN(S(=O)(=O)c2ccc(-c3nc4cc(C)ccc4[nH]3)cc2)CC1	586956918	KJKWPKSYOSGSJA-UHFFFAOYSA-N	398.488	2.391	0	1	GEAF	
CN1CCN(c2ccc3nc(-c4cnc5ncnn5c4C(F)F)[nH]c3c2)CC1	587128323	KWUFCEVGTWLMPB-UHFFFAOYSA-N	384.394	2.357	0	1	GEAF	
CC(C)(C)OC(=O)Nc1snnc1-c1nc2c(S(N)(=O)=O)cccc2[nH]1	587039934	XVHGBMOLTXXLAQ-UHFFFAOYSA-N	396.454	2.076	0	1	GEAF	
CNC[C@]1(c2ccc(O)cc2)N[C@@H](C(=O)O)Cc2cc(OC(F)(F)F)ccc21	962624186	BGMNFSSFMSSVAX-SJLPKXTDSA-N	396.365	2.353	0	1	GEAF	
COc1cc([C@]2(C)NCCc3c2c(C(C)C)nn3C)ccc1S(C)(=O)=O	962917970	MLNIPZRRNGFTDH-IBGZPJMESA-N	377.510	2.365	0	1	GEAF	
COC(=O)C1=CO[C@@H](C)[C@@H]2CN3CC[C@]4(C(=O)Nc5cc(OC)ccc54)[C@H]3C[C@H]12	5748736	SRKHGHLMEDVZRX-CHWCZTQMSA-N	398.459	2.071	0	1	GEAF	
COc1ccc2c3c([nH]c2c1)[C@@H]1C[C@H]2[C@H](C[C@H](O)[C@H](OC)[C@H]2CO)CN1CC3	13145028	YCLAQLTVHNAEEQ-YRHWAKQWSA-N	386.492	2.100	0	1	GEAF	
COCC[C@](O)(C(=O)O[C@@H]1CN2CCC1CC2)c1cccc(Br)c1	13650139	RFBRDNUZPRPAFU-SJLPKXTDSA-N	398.297	2.311	0	1	GEAF	
O=C(Nc1ccccc1)[C@@H]1Cc2cc(Br)cc3[nH]c(=O)c(=O)n1c23	13739776	RIGJBTNFORAXLC-ZDUSSCGKSA-N	386.205	2.188	0	1	GEAF	
NS(=O)(=O)c1cccc(N=c2[nH]c(=NCc3ccco3)c3ccccc3[nH]2)c1	1857585195	ZJWMJOBCFRELRJ-UHFFFAOYSA-N	395.444	2.070	0	1	GEAF	
CCOc1ccccc1C1=NO[C@@H](c2ccccc2)[C@H]1C(=O)NCCOCCO	4152087	GYAFLLMIBNFNBW-FPOVZHCZSA-N	398.459	2.302	0	1	GEAF	
COc1ccc(CCNC(=O)c2noc3ncnc(N4CCCC4)c23)cc1OC	9687995	HLAJFPGVAUKPSH-UHFFFAOYSA-N	397.435	2.208	0	1	GEAF	
CC[C@@H]1CN(C(=O)c2ccccc2)CC[C@H]1CC(=O)N1CC[C@@H](NC(C)=O)C1	2356852531	QQMSNGSXHFYIKU-YZGWKJHDSA-N	385.508	2.302	0	1	GEAF	
C[C@@H](CN(C)C)NC(=O)c1nn(C)c2c1CCc1cnc(NC3CCCC3)nc1-2	45356396	QXGLBQINCBIXHY-ZDUSSCGKSA-N	397.527	2.010	0	1	GEAF	
CN1C(=O)[C@H]2[C@H](N=C(/C=C/c3cccc(Br)c3)N2C)N(C)C1=O	40943747	QOHOUMPHJONRCD-GODNBWANSA-N	377.242	2.025	0	1	GEAF	
COCCC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2ccc(NCc2ccccc2)c1=O	25236228	OHMJALLOQCQVJI-MSOLQXFVSA-N	381.476	2.443	0	1	GEAF	biogenic
Cc1cc(N)nc(C[C@@H]2CNC[C@@H]2OCCN[C@H](C)Cc2cccc(F)c2)c1	95586845	AUSIEXNWJKDTQY-BLIXFSHQSA-N	386.515	2.479	0	1	GEAF	in-vitro
CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN[C@@H](C)CO2	95688778	NSJHBAKZFARZIY-QWQRMKEZSA-N	377.485	2.129	0	1	GEAF	
COc1ccc(S(=O)(=O)N[C@@H](c2nc3ccc(F)c(F)c3[nH]2)[C@H](C)O)cc1	586939549	WFSKDLOTCRGTQE-BJOHPYRUSA-N	397.403	2.250	0	1	GEAF	
CN(C)S(=O)(=O)n1ccnc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3	587532373	MFIHDSHUEYFORL-MRXNPFEDSA-N	375.450	2.123	0	1	GEAF	
CN1C(=O)C2=C(C1=O)N(CC(=O)Nc1ccc(-c3cccnc3)cc1)CCC2	1772627800	KPGRLIZBHYVATJ-UHFFFAOYSA-N	376.416	2.036	0	1	GEAF	
CC(C)[C@@H](NS(=O)(=O)c1cccc2nsnc12)C(=O)N1CCCCC1	5068041	GVSIPFBGPVRCND-CQSZACIVSA-N	382.511	2.007	0	3	GEAF	
COc1ccc2c3c1O[C@H]1[C@@H](O)C=C[C@@H]4[C@@H](C2)N([C@@H]2CCCC[C@@H]2O)CC[C@]341	169301626	ROOIUTBGPBWDFU-SSUUYQRISA-N	383.488	2.175	0	1	GEAF	
CCn1ncc(-c2nc3c(N[C@@H]4CCN(CC(C)C)C4=O)ncnc3n2C)c1C	1857619516	SDPIXJJMLQIKSR-OAHLLOKOSA-N	396.499	2.224	0	1	GEAF	
CN1CC[C@H](c2c(O)cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc23)[C@H](O)C1	604247	KONXUCIJNQYNNP-SUMWQHHRSA-N	383.400	2.357	0	1	GEAF	
Cc1cccc2c1O[P@](=O)(COCCn1cnc3c(N)ncnc31)OC2	13677699	BVWDWGIOTQCKMK-SANMLTNESA-N	375.325	2.493	0	1	GEAF	
COc1c2c(cc3ccoc13)C(=O)[C@]1(O)c3cc4c(cc3OC[C@H]1O2)OCO4	14502285	DDGYXSWHWAQNRQ-QRWLVFNGSA-N	382.324	2.394	0	1	GEAF	endogenous,in-man
CCN1CCN(CCCC(=O)Nc2n[nH]c3nnc(-c4ccccc4)cc23)CC1	22927672	FQQWTITYZMFQRJ-UHFFFAOYSA-N	393.495	2.376	0	1	GEAF	
CC(C)C[C@H](CNCC(=O)O)NC[C@H]1CCCN1C(=O)OCc1ccccc1	28013896	BVSYNVGKXCETMK-RTBURBONSA-N	391.512	2.466	0	1	GEAF	
COc1ccc2c(c1OC)CCN(Cc1nc3cccc4c(=O)[nH][nH]c(n1)c34)C2	59277937	NSZFUOFCFIBXNF-UHFFFAOYSA-N	391.431	2.375	0	1	GEAF	
CCN(C[C@H]1N[C@H](CO)[C@@H]1c1ccc(-c2cccc(F)c2)cc1)C(=O)COC	95895153	AQAKAJMSJAYAPH-KCZVDYSFSA-N	386.467	2.404	0	1	GEAF	
O=C(Nc1ccccc1F)N[C@H]1C=C[C@H](CC(=O)N2CCCCC2)O[C@@H]1CO	95906437	DLOREXMLRXXTRO-FHLIZLRMSA-N	391.443	2.034	0	1	GEAF	
CCOc1cc(-n2cnc3ccc(N[C@@H](CO)c4ccc(F)cn4)nc32)[nH]n1	96167836	QORXXHJYKNVXNU-AWEZNQCLSA-N	383.387	2.222	0	1	GEAF	
COc1cc(-c2cn([C@H]3C(=O)N[C@H]4CC[C@H]3C4)nn2)ccc1-n1cnc(C)c1	101504723	XFUQJGQSRHSODW-YZVOILCLSA-N	378.436	2.287	0	1	GEAF	
COc1cc2c(cc1OC)[C@@]13CCN4CC5=CCO[C@H]6CC(=O)N2[C@@H]1[C@H]6[C@@H]5C[C@@H]43	104993557	RRKTZKIUPZVBMF-HSBWQZHGSA-N	394.471	2.110	0	1	GEAF	
CO[C@H]1COC(=O)C/C=C\[C@@H](C)COC(=O)[C@H]2CCCN2C(=O)C/C=C/[C@H]1C	137296035	XWWBVVBSGQSUTO-XQMJJHLOSA-N	393.480	2.257	0	1	GEAF	
COc1ccc(S(=O)(=O)N[C@H](c2nc3ccc(F)c(C)c3[nH]2)[C@H](C)O)cc1	586935223	COIKBSBNNPSMLF-GTNSWQLSSA-N	393.440	2.419	0	1	GEAF	
Nc1nc(O)c2nc(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)[nH]c2n1	587118016	ZDWJGSBBLVCOCV-UHFFFAOYSA-N	387.753	2.630	0	1	GEAF	
Nc1ccccc1[C@@]1(CS(N)(=O)=O)CC(=O)c2ccc3c(c2O1)CCCC3	587532145	NNHGIYIVCYZAPC-FQEVSTJZSA-N	386.473	2.297	0	1	GEAF	
CC(C)(C)c1cc(Cn2cc(C(=O)NCCNC(=N)N)nn2)cc(C(C)(C)C)c1	1772593688	YGJZHZHSUBBJLN-UHFFFAOYSA-N	399.543	2.134	0	1	GEAF	
O=C(NCc1ccncn1)c1csc(CCNCc2nc3ccccc3[nH]2)n1	1857555069	RCVPXWSOKBCANY-UHFFFAOYSA-N	393.476	2.072	0	1	GEAF	
CC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CC[C@]2(O)CCCC[C@H]2C1	263592312	QERMCNMDQTUPII-XKGZKEIXSA-N	394.537	2.206	0	3	GEAF	
COc1ccc(NC(=O)N2CC3(CCN(C(=O)c4cnccn4)CC3)C2)cc1	3956354	CRRSYEQJBQXTBA-UHFFFAOYSA-N	381.436	2.255	0	1	GEAF	
CCC(=O)N1[C@@H](CO)[C@@H](c2ccc(C3=CCCC3)cc2)C12CN(C(=O)COC)C2	95668587	ZKLGVBVCRZSXBT-SIKLNZKXSA-N	398.503	2.178	0	1	GEAF	
CCC(=O)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(-c4ccccc4F)cc3)[C@@H]2C1	95866953	HSZXWGUUBZPEQX-CNNODRBYSA-N	382.435	2.400	0	1	GEAF	
COC[C@H]1CN(C(=O)c2cc(-c3ccc(F)cc3)on2)[C@@H](CC(C)C)C(=O)N1	103265394	NGMMWCVQKBJGBV-WBVHZDCISA-N	389.427	2.482	0	1	GEAF	
O=C(O)Cn1cc(I)c(-c2nc3cc(F)ccc3[nH]2)n1	587186111	RFOKOWUHWUOUEQ-UHFFFAOYSA-N	386.124	2.255	0	1	GEAF	
CC1=C(c2ccc3nc(Cc4ccc(C(=O)O)cc4N)[nH]c3c2)NNC(=O)C1	587250212	QGWJQAAJAKHWQV-UHFFFAOYSA-N	377.404	2.190	0	1	GEAF	
CSc1ncc(C(=O)NCCc2c[nH]c3ccccc23)c(N2CCOCC2)n1	1857649909	DRHWILWCGVVNNS-UHFFFAOYSA-N	397.504	2.489	0	1	GEAF	
CC(C)(C)CCN[C@@H]1C[C@H](O)[C@H](CO)[C@H]1Cc1ccnc(-c2cccnc2)n1	2356346362	PSWMFJGSRFRQBZ-WTGUMLROSA-N	384.524	2.465	0	1	GEAF	
O=C(NC[C@@H]1COCc2nc3cc(C(F)(F)F)ccc3n21)c1cncnc1	2356710027	GQOCKLFGYVODOF-GFCCVEGCSA-N	377.326	2.346	0	1	GEAF	
CCOC(=O)[C@@H]1CCCN(C(=O)CCn2nc(-c3ccccc3)ccc2=O)C1	4034442	JBYYDGVARHKCKG-QGZVFWFLSA-N	383.448	2.102	0	3	GEAF	
CCO[C@@H]1OC(C(=O)NC2CC2)=C[C@H](c2ccc3c(c2)OCO3)[C@H]1CCCO	13657263	JFPVMUMSYIMXOL-WHSLLNHNSA-N	389.448	2.443	0	3	GEAF	
C[C@@H]1CN(c2c(F)cc3c(=O)c(C(=O)O)cn([C@@H]4C[C@@H]4F)c3c2F)CCN1	27096064	ZKANFWGDCSTQRW-YDEJPDAXSA-N	381.354	2.059	0	1	GEAF	
CCCCN1CC2(CCN(C[C@H](O)[C@@H]3COc4ccccc4O3)CC2)OC1=O	28762278	IWAQDHIFFZYRIZ-LPHOPBHVSA-N	390.480	2.274	0	1	GEAF	
CC[C@@H]1CN(C(=O)c2cccnc2)CC[C@H]1CC(=O)N[C@H](CO)CC(C)C	36367553	MLGCDOQQOPHUAX-AOIWGVFYSA-N	375.513	2.483	0	1	GEAF	biogenic
O=C(C1CCC1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4cccnc4)cc3)[C@@H]2C1	95797319	QVDWJLNEJREBMG-TUNNFDKTSA-N	391.471	2.046	0	1	GEAF	
COc1ccc(S(=O)(=O)n2cc3c4c(cccc42)N2CCNC[C@@H]2C3)cc1	118363056	JWWWFBOCQFFGBA-HNNXBMFYSA-N	383.473	2.221	0	1	GEAF	
CC(C)NC[C@@H](O)COc1cc2c(cc1OC[C@H](O)CNC(C)C)CCCC2	168364201	FNONAOHPLDQXBT-WOJBJXKFSA-N	394.556	2.041	0	1	GEAF	
CC(=O)c1ccc(Nc2ccc3c(c2)C(=O)N([C@H]2CCC(=O)NC2=O)C3=O)cc1	169323719	XHGQLBKXNSAYJY-KRWDZBQOSA-N	391.383	2.034	0	1	GEAF	
COc1ccc(C[C@@H](N=O)C(=O)NCCc2cnc[nH]2)cc1Br	169715797	ADPGWZRMOCDDKN-CYBMUJFWSA-N	381.230	2.217	0	1	GEAF	
COc1ccc2c3c1O[C@@H]1[C@H](O)C=C[C@@H]4[C@@H](C2)N([C@H]2CCCC[C@H]2O)CC[C@]314	253636526	ROOIUTBGPBWDFU-QDDXJQICSA-N	383.488	2.175	0	1	GEAF	
CC(C)(C)OC(=O)N(Cc1nc2ccc(-n3cnnn3)cc2[nH]1)C[C@H]1CCCO1	587197895	XHJZSFFRMIWXOK-CQSZACIVSA-N	399.455	2.455	0	1	GEAF	
CCOC(=O)[C@]1(CC(N)=O)CCCC[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3	587433941	XMVJXCSEFPFKSU-XMDBHEJHSA-N	387.432	2.180	0	1	GEAF	
CN(C)S(=O)(=O)n1nccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3	587534511	ZOJISSNMNLSORY-KRWDZBQOSA-N	375.450	2.123	0	1	GEAF	
CN(C)C(=O)c1ccc2c(c1)[C@@](c1ccc(Cl)c(Cl)c1)(C(O)O)NCC2	962921698	DDKLRZURCHMNPP-IBGZPJMESA-N	395.286	2.395	0	1	GEAF	
CCOC(=O)C(C[C@@]1(C)NC[C@@H]2CC(=O)N(C)c3cccc1c32)C(=O)OCC	963018942	DAKXOUGLRHKXIU-YEJXKQKISA-N	388.464	2.088	0	1	GEAF	
O=C1[C@@H]2Cc3nc[nH]c3[C@@]3(CCCC[C@H]3C(F)(F)F)N2C(=O)[C@@H]2CCCN12	963219678	TYYXEZRMCHVFPG-JRATXPSKSA-N	382.386	2.115	0	1	GEAF	
CC(=O)N1CC[C@@H](OCc2cncc(-c3cnc4c(c3)CCCN4C(N)=O)c2)C1	1772647687	CJXLZXLBVKZFMY-LJQANCHMSA-N	395.463	2.112	0	1	GEAF	
O=C1N(Cc2ccc(F)cc2)C[C@@H]2CN(S(=O)(=O)c3ccccc3)CCN12	2356557474	PUPVMYDJGVAQIG-QGZVFWFLSA-N	389.452	2.136	0	1	GEAF	
CC(C=CC(=O)N[C@](C)(CO)C(=O)O)=C[C@H](C)C(=O)c1ccc(N(C)C)cc1	2356596918	VTYVYDJWZOWXEE-YCRPNKLZSA-N	388.464	2.026	0	1	GEAF	
CCN(CC)C(=O)[C@H]1CCC[C@H](NCc2c(C)noc2C)CN(C)C(=O)C1	2356645624	YAQOGCFUGRJWSK-IRXDYDNUSA-N	378.517	2.267	0	1	GEAF	
CC(C)[C@@H]1Nc2ccc(C(=O)N3CCN(c4ccccn4)CC3)cc2NC1=O	6919949	MCGYXCXZZABIKW-IBGZPJMESA-N	379.464	2.433	0	3	GEAF	
O=C1COCc2cc(-c3cccc(CO)c3)ccc2N1CCN1CCOCC1	205221117	OVLICDGWIWPHAS-UHFFFAOYSA-N	382.460	2.041	0	3	GEAF	
COc1cccc(C(=O)N[C@@H]2[C@H](c3ccc(C(F)(F)F)nc3)C[C@H](O)[C@H]2O)c1	2356286779	QCQYXQPWLPROQU-XJNFMUPTSA-N	396.365	2.117	0	1	GEAF	
C[C@H](NC(=O)CN(C)S(=O)(=O)c1cccc2nsnc12)c1ccccc1	6771714	KHODYSKONYITLD-LBPRGKRZSA-N	390.490	2.189	0	3	GEAF	
NS(=O)(=O)c1ccc(-n2nc(-c3ccccc3)c3c(O)cc(O)nc32)cc1	103215084	DHUDYQVOADFJAB-UHFFFAOYSA-N	382.401	2.146	0	1	GEAF	
CN[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)O	26835421	IJJCVNWFPAZCQT-VQTJNVASSA-N	382.460	2.178	0	1	GEAF	
C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43CO)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1	2356544803	DUSRIIPEQBGMHU-ZCNBOXHLSA-N	388.504	2.497	0	1	GEAF	
CCOc1ccccc1-c1nc(C(=O)N2CCC[C@@H]2C(=O)OCCN)cs1	82073227	HPQPGQPSHRRKGH-OAHLLOKOSA-N	389.477	2.315	0	1	GEAF	
COc1cc([C@H]2O[C@H](c3ccc(O)c(OC)c3)[C@@H](CO)[C@H]2CO)ccc1O	238741921	NYDZRKZVFLLTLO-RYMBOPBQSA-N	376.405	2.145	0	1	GEAF	
CS(=O)(=O)N1CCCCN2[C@H](CO)[C@H](c3ccc(C4=CCCC4)cc3)[C@@H]2C1	95874370	OWYGSFSXNSOHTM-PWRODBHTSA-N	390.549	2.438	0	1	GEAF	
Cn1cc(CNC(=O)[C@@H]2CCC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)cn1	15064951	OTVSILNYGCILRZ-OAHLLOKOSA-N	394.397	2.494	0	3	GEAF	
COC(=O)CNC(=O)[C@@]1(Cc2ccccc2)C=C[C@@H](C)N1C(=O)c1ccccc1	7992809	OGKJGWHKQSARFQ-HXOBKFHXSA-N	392.455	2.358	0	1	GEAF	
CN(C)CCc1cc2c(cc1C=C1NC(=O)c3c1ccc1c3OCO1)OCO2	2356613852	ZURFNKDWDFKHSG-UHFFFAOYSA-N	380.400	2.490	0	1	GEAF	
COc1cc([C@H]2Oc3c(ccc4ccc(=O)oc34)O[C@H]2CO)cc(OC)c1O	13400485	FCWOSPBWIBSFOO-MAUKXSAKSA-N	386.356	2.389	0	1	GEAF	biogenic
CCN(C)C(=O)c1cnc(N2CCC[C@H](C(N)=O)C2)nc1-c1ccc(F)cc1	82141568	VUUADCZYUDNUNC-AWEZNQCLSA-N	385.443	2.076	0	1	GEAF	
O=C(NCc1cn(Cc2cccc(Oc3ccccc3)c2)nn1)[C@@H]1COC=N1	49068977	JRTGXZUHPKWDRU-IBGZPJMESA-N	377.404	2.162	0	1	GEAF	
CN(C)CCn1ncnc1-c1cc2c(s1)-c1ccc(C(N)=O)cc1OCC2	95583308	KISFQROBPOGKFD-UHFFFAOYSA-N	383.477	2.269	0	1	GEAF	
N[C@H](Cc1cccc(Br)c1)c1nc2ccc(S(N)(=O)=O)cc2[nH]1	586983449	COVOUJWRJFMAAC-GFCCVEGCSA-N	395.282	2.215	0	1	GEAF	
CC1(C)Cc2c(cnn2-c2ccc(F)cc2)[C@@H](NC(=O)C2=NNC(=O)CC2)C1	12430108	VIAXVZJBVBAZHC-INIZCTEOSA-N	383.427	2.407	0	3	GEAF	
CO[C@@H]1CCN(C(=O)C2CCN(c3cnccc3-n3cc(Cl)cn3)CC2)C1	1857578836	COQQETTVFNFCAV-MRXNPFEDSA-N	389.887	2.384	0	1	GEAF	
O=C(O)[C@@H]1C[C@H]2C[C@@H](Oc3ccc(Cl)cc3-c3nnn[nH]3)CC[C@H]2CN1	103279922	FGLBAJOPAXFWOT-QPPBUOOMSA-N	377.832	2.130	0	1	GEAF	
CC=C(C)C(=O)O[C@@H]1CC[C@]2(O)C[C@]3(OC)OC(=O)C(C)=C3[C@H](O)[C@@]2(C)[C@@H]1C	2356445410	ATTRXTZPTLILCG-XFXCOGQTSA-N	394.464	2.012	0	1	GEAF	
Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccc3c(c1)OCO3)C1=C(O)CCCC1=N2	104091690	MOGNUJWGZJTJKA-OAHLLOKOSA-N	381.388	2.027	0	1	GEAF	
CCCCCN1N=C(c2ccc3c(c2)N(S(C)(=O)=O)CCO3)CCC1=O	27298997	ATCFQMNJLQTLKS-UHFFFAOYSA-N	379.482	2.362	0	1	GEAF	
O=C1N[C@@H](CC2CCCCC2)C(=O)N2CCN(C(=O)NC3CCCCC3)C[C@H]12	4260115	MKQIURMMFMNZOE-ZWKOTPCHSA-N	390.528	2.010	0	1	GEAF	biogenic
Cc1cc(C)c2c(n1)CCN(CC(=O)N1CCN(c3ccccc3)CC1)C2=O	70461150	IWTRNROALWUYSN-UHFFFAOYSA-N	378.476	2.046	0	1	GEAF	
[O-][n+]1nc2c(I)cnn2c2cc(-c3ccncc3)ccc21	71282444	QZVPTYIORQRFOZ-UHFFFAOYSA-N	389.156	2.183	0	1	GEAF	
CNC[C@@H](O)CCN1c2ccccc2N(c2ccc(F)cc2F)S1(=O)=O	49036189	JWVNRZQALLUPMN-ZDUSSCGKSA-N	383.420	2.138	0	1	GEAF	
CNC(=O)c1ccccc1Nc1nc(Nc2ccc(CN)cc2)nc2nccn12	299865869	OERMTVRXFMLUOQ-UHFFFAOYSA-N	388.435	2.430	0	1	GEAF	
COC(=O)C(=O)C[C@]1(c2ccc3c(c2)OCO3)CC(=O)c2cc(C)cc(N)c2O1	587408300	LNCQXPMQSPFXRY-NRFANRHFSA-N	397.383	2.299	0	1	GEAF	
CCCN1[C@H](C)Cc2ccccc2[C@@]1(CC(C)=O)C1C(=O)N(C)C(=O)N(C)C1=O	963243036	RBNYDQVEVTXRGK-PEBXRYMYSA-N	399.491	2.184	0	1	GEAF	
C[C@H](C(=O)NCc1nccs1)N1Cc2ccc(-c3cccnc3)nc2C1=O	205213307	IVRSPJNOZJELND-GFCCVEGCSA-N	379.445	2.261	0	3	GEAF	
CCOc1ccc(CNC(=O)CS(=O)(=O)c2cccc3nsnc23)cc1	8600736	FVZDCBGKJJUXCD-UHFFFAOYSA-N	391.474	2.180	0	1	GEAF	
O=C(NCCN1CCOCC1)c1ccc2c(c1)ncn2-c1ccc(F)cc1F	20829722	ZQTNXPGTTWBJAQ-UHFFFAOYSA-N	386.402	2.366	0	1	GEAF	
CC(C)C[C@@H](CNCC(=O)O)NC[C@H]1CCCN1C(=O)OCc1ccccc1	28013892	BVSYNVGKXCETMK-RBUKOAKNSA-N	391.512	2.466	0	1	GEAF	
C[C@H]1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1cnc2ccccc2n1	33820033	JKHFNOANZOYIKE-HNNXBMFYSA-N	388.427	2.186	0	1	GEAF	
O=C(Cc1ccccc1)NCc1ccnc(-n2[nH]cc(-c3cccnc3)c2=O)c1	43151635	YSIOFIYWFXTLFW-UHFFFAOYSA-N	385.427	2.482	0	1	GEAF	
Cn1nc(-c2ccccc2)cc1C(=O)N[C@H](Cc1nc2ccccc2[nH]1)C(=O)O	58638559	ZNVHZOFBOKBNIL-QGZVFWFLSA-N	389.415	2.389	0	1	GEAF	in-vitro
CC(=O)NCCNC(=O)c1cnc(N2CCC(C)CC2)nc1-c1ccc(F)cc1	82141438	RGJYMNTZAIWZGR-UHFFFAOYSA-N	399.470	2.385	0	1	GEAF	
Cc1cccc2cc([C@H](C)Nc3nc(N)ncc3C(N)=O)n(C3CC3)c(=O)c12	88345995	GXJSOAWQXDTDMG-NSHDSACASA-N	378.436	2.289	0	1	GEAF	
COC(=O)Cc1c(C)nc2nc(NCc3ccc(OC(C)C)cc3)nn2c1O	100695445	FKZMJOOUEVAGOZ-UHFFFAOYSA-N	385.424	2.253	0	1	GEAF	
COc1ccc(CO/C(O)=C2\C(C)=N[C@]3(O)c4ccccc4C(=O)[C@@]23O)cc1	103997128	HCFNCNDSJQJXSB-VIUSAGFSSA-N	381.384	2.229	0	1	GEAF	
Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1csc(CN(C)C)n1	140033267	QOVJEAHPPYETGT-NSHDSACASA-N	394.526	2.118	0	1	GEAF	
N[C@H](C(=O)N1CC[C@H](F)C1)[C@H]1CC[C@H](NC(=O)OCc2ccccc2)CC1	253637157	ZMAHAONSAMATES-XSLAGTTESA-N	377.460	2.369	0	1	GEAF	
Cc1cc2nc([C@@H](C)NS(=O)(=O)c3cnn(C)c3)[nH]c2cc1Br	586940221	XKPLJWCMGYKALZ-SECBINFHSA-N	398.286	2.407	0	1	GEAF	
Nc1cc2nc(-c3sccc3S(=O)(=O)NCc3ccco3)[nH]c2cn1	586946398	WWZPJKMPDJEAEE-UHFFFAOYSA-N	375.435	2.340	0	1	GEAF	
CN(C)C(=O)c1cccc2cc(CCc3c(O)nc(O)nc3C(=O)O)ccc12	1772616016	MDFJRWJSVGJUJF-UHFFFAOYSA-N	381.388	2.226	0	1	GEAF	
COc1c2c(cc3c1OCO3)[C@@H]1[C@H](c3ccc4c(c3CN1C)OCO4)[C@@H](O)C2	2356566819	VVBOWTYRWIESFW-BMGDILEWSA-N	383.400	2.340	0	1	GEAF	
COc1ccc(CC(=O)N[C@@H]2C[C@@H](c3nc(-c4ccccn4)no3)N(C)C2)cc1	2356873359	YGGQQKOYXYPVOE-QAPCUYQASA-N	393.447	2.244	0	1	GEAF	
COCC(=O)N[C@@H]1[C@@H](c2cccs2)N(Cc2nccs2)CC[C@@]1(C)O	2356289321	TWDAWNZPDUYLIX-BRWVUGGUSA-N	381.523	2.034	0	1	GEAF	
CC(C)(CC(=O)Nc1c[nH]cc(C(=O)O)c1=N)NC(=O)CC1CCCCC1	1911586443	ARQLXCOGHPHYIC-UHFFFAOYSA-N	376.457	2.386	0	1	GEAF	
O=C(NCC(=O)N(CCO)Cc1ccco1)c1cc2cc(Cl)ccc2[nH]1	28125798	LNWSHSVPWJWYDQ-UHFFFAOYSA-N	375.812	2.165	0	1	GEAF	
Cc1cccc(C[C@H](NC(=O)c2cc(C(C)(C)C)nn2C)C(=O)NCC=N)c1	39290218	TVOGNNSPACVESK-INIZCTEOSA-N	383.496	2.133	0	1	GEAF	in-vitro
CC1(C)[C@@H]2CC[C@](CC(=O)c3cc(O)ccc3O)(C(=O)O)CC2=C[C@@H](O)[C@@H]1O	2356865829	VLKMPIWFTPSHEP-GXLIZGDTSA-N	390.432	2.230	0	1	GEAF	
O=C(N[C@H]1CCCC[C@@H]1O)c1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)cc1	62178787	RALCQZCLOXHNSC-JIYJMNMHSA-N	380.444	2.031	0	1	GEAF	
COc1c(OC)c(O)c2c(=O)c(O)c(-c3cc(O)ccc3O)oc2c1OC	33834082	UWIBDEQRXHODSE-UHFFFAOYSA-N	376.317	2.308	0	1	GEAF	biogenic,in-vitro
C[C@H](Oc1cccc2cccnc12)C(=O)NC[C@H](O)CN1Cc2ccccc2C1	217086105	MFLPZXZETDMETA-JXFKEZNVSA-N	391.471	2.495	0	1	GEAF	
Cn1cc(CN2C[C@H](O)C[C@H]2c2nc(-c3cnccn3)no2)c2ccccc21	15674056	AOJPHLJGJXCKOE-KDOFPFPSSA-N	376.420	2.326	0	1	GEAF	biogenic
Cc1ccc2[nH]c(=S)n(CCc3ccc(S(N)(=O)=O)cc3)c(=O)c2c1	144456316	DMVDQLBXICEXCQ-UHFFFAOYSA-N	375.475	2.258	0	1	GEAF	
C/C=C1\CN(C)[C@H]2Cc3c([nH]c4ccccc34)C(=O)C[C@H]1[C@@]2(CO)C(=O)OC	238778599	CZRUSFCSECMUDS-VGVVDBQVSA-N	382.460	2.325	0	1	GEAF	
O=c1nc(OC[C@@H]2COCCO2)cc2n1CCc1cc(COCC3CC3)ccc1-2	142981168	ABVVTAOXKDJPMY-SFHVURJKSA-N	398.459	2.187	0	1	GEAF	
CCNC(=O)c1c(C)sc2nc(Cn3nc(C(F)(F)F)cc3C)cc(=O)n12	653850700	SVFAUFCIEMCAAH-UHFFFAOYSA-N	399.398	2.386	0	1	GEAF	
COc1cc2c3c(c1)O[C@@H]([C@H](c1nc4ccccc4[nH]1)S(C)(=O)=O)[C@@H](C2)C3=O	587447758	FMHHOSCQOCEALB-GESALYCCSA-N	398.440	2.473	0	1	GEAF	
COc1cc(Cl)cc(C=O)c1OCc1nc2ccc(S(N)(=O)=O)cc2[nH]1	587066698	FWDKXUGOQTVJJD-UHFFFAOYSA-N	395.824	2.264	0	1	GEAF	
O=C1NC(=O)[C@@]2(CCc3nc4ccc(O)c5c4c(c3C2)-c2ccccc2C5=O)N1	586990132	VNPVOFTVWLRGBB-QFIPXVFZSA-N	385.379	2.219	0	1	GEAF	
CN(C)c1cccc2c(S(=O)(=O)NCc3nc4ccnc(N)c4[nH]3)cccc12	586942272	JFXJWEBOLAGTCR-UHFFFAOYSA-N	396.476	2.238	0	1	GEAF	
CN(Cc1ccccc1)C(=O)CCc1ccc(N2C(N)=NC(N)=NC2(C)C)cc1	16954723	QNUFPLAEFPQXHH-UHFFFAOYSA-N	392.507	2.463	0	1	GEAF	
CCCC[C@H](N[C@H]1CCc2ccccc2N(CC(=O)O)C1=O)C(=O)OCC	29342334	CLYQVSLBVFEZBT-HOTGVXAUSA-N	376.453	2.131	0	1	GEAF	
C[C@]12OCCCCO[C@H]1C([N+](=O)[O-])=C1N(Cc3ccc(Cl)nc3)CCN12	103184631	LIWJOYWXVRGGHK-RDJZCZTQSA-N	380.832	2.224	0	1	GEAF	
CC(C)NC(=O)C1CCN(C2CCN([C@H](C)CCn3cccn3)CC2)CC1	20451213	OIGAGQXYGXNODP-GOSISDBHSA-N	375.561	2.363	0	1	GEAF	
CC(C)(C)OC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)c1cccc(C(=N)N)c1	64512021	JMIBJLFDRUJLEX-QGZVFWFLSA-N	383.448	2.359	0	1	GEAF	
CCN[C@H]1CCN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C(C)(C)C)C1	28766025	CZKDOIIICOJKSF-NSHDSACASA-N	376.432	2.177	0	1	GEAF	
Cc1cc(C(=O)N2CCC3(CC2)CC(=O)c2nn(C)cc2O3)cc2cn[nH]c12	73295948	BJZMFTSPJYEZEP-UHFFFAOYSA-N	379.420	2.245	0	1	GEAF	
O=C1[C@H]2C=C(I)[C@H](C[C@H]2OCCCCO)[C@]12CCCO2	40900018	ZCCAXLPFLIOJJV-HTTKSJEASA-N	392.233	2.231	0	1	GEAF	
CCOC(=O)C[C@@H](O)[C@H](CC(C)C)NC(=O)[C@H](NC(=O)CC(C)C)C(C)C	40525825	FOQFTNGVLMVBTQ-FRQCXROJSA-N	386.533	2.018	0	1	GEAF	
CC(=O)Nc1cccc2c1O[C@@H](CN(C)C(=O)NC(C)C)[C@@H](C)CN(C)C2=O	95662123	ZBHAVGXLHJUKDQ-GUYCJALGSA-N	390.484	2.164	0	1	GEAF	
CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@@H](C)NC[C@@H]1C	95679877	CWLHXXSWRNJMCP-KSMMKXTCSA-N	389.496	2.129	0	1	GEAF	
COc1cc([C@@H](O)[C@H]2COC[C@@H]2[C@@H](O)c2ccc(O)c(OC)c2)ccc1O	14435765	YHYNYYXJMLXPRQ-WZBLMQSHSA-N	376.405	2.145	0	1	GEAF	
CC(C)C[C@H](CC(=O)O)NC(=O)[C@H]1CCCN(C(=O)CCC2CCNCC2)C1	26467722	LZPPYUNNJYIBTG-ZWKOTPCHSA-N	395.544	2.010	0	1	GEAF	
CN(C)[C@H]1CCN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C(C)(C)C)C1	28765548	YIZFAZMGJJONSY-NSHDSACASA-N	376.432	2.129	0	1	GEAF	
C[C@]12CC[C@@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43CO)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1	31483301	DUSRIIPEQBGMHU-AXMCTELYSA-N	388.504	2.497	0	1	GEAF	
CCN(CC)CCN1C(=O)C(=O)[C@@H](C(=O)c2ccc(C)o2)[C@@H]1c1ccccn1	110929213	LWZDZFMLABTQBC-MSOLQXFVSA-N	383.448	2.276	0	1	GEAF	
COc1ccc2c3c1O[C@@H]1C(=O)[C@@H](C)C[C@@]4(O)[C@@H](C2)N(CC2CCC2)CC[C@@]314	169304798	HQDQOBZHPVEXBG-MZXQFLKISA-N	383.488	2.465	0	1	GEAF	
CN(C)CCOc1ccc2[nH]c(-c3ccc(S(=O)(=O)N(C)C)o3)nc2c1	586931123	LYMOIISSBDYRFE-UHFFFAOYSA-N	378.454	2.014	0	1	GEAF	
CC(=O)Nc1nn2c(=O)cc(-c3ccc4c(c3)OCO4)[nH]c2c1-c1ccccn1	653677644	NSXNSBWKIFWQGR-UHFFFAOYSA-N	389.371	2.439	0	1	GEAF	
NS(=O)(=O)c1ccc(-c2cccc(-c3ccc(S(N)(=O)=O)cc3)c2)cc1	653780431	BZWJFXUXQSIAML-UHFFFAOYSA-N	388.470	2.315	0	1	GEAF	
CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@]12c1c(N)ccc3c1CCN2C3	962952515	HQEVIPSKKJXQTF-YCRPNKLZSA-N	387.480	2.266	0	1	GEAF	
CC1(C)Oc2cc(O)ccc2[C@@H]2[C@@H]1C=Cn1c(=O)n(-c3ccccc3)c(=O)n12	1772570843	LOIMBROAWGVTSN-FUHWJXTLSA-N	377.400	2.367	0	1	GEAF	
COc1ccc2c(c1O)CCC[C@@H](O)[C@]2(O)c1cc(OC)c(OC)c(OC)c1	1857562250	CPDVEOMAYWZUSX-NQIIRXRSSA-N	390.432	2.360	0	1	GEAF	
NCc1cc(=O)n(C2CC2)c2c(OC(F)F)c(N3C[C@H]4C[C@@]4(N)C3)c(F)cc12	1911584916	WBQPBOQTMQMNTC-GIGQVBGESA-N	394.397	2.073	0	1	GEAF	
COCC(=O)N[C@@H]1CC[C@]2(C)CC[C@H]([C@H](C)C(=O)NC(C)C)[C@H](O)[C@H]2[C@H]1C	2356344007	XVXKERGFCTWKOE-ZTAMOWRRSA-N	382.545	2.102	0	1	GEAF	
COc1ccc2c(c1)NC(=O)[C@@]21CCN2C[C@@H]3[C@H](C)OC=C(OC(C)=O)[C@@H]3C[C@H]21	2356367620	GFBRPLWLNZPYAL-MMYPGEQRSA-N	398.459	2.419	0	1	GEAF	
CC(=O)O[C@]1(C)CC[C@H](C(C)C)[C@@H]2[C@H]3O[C@@H](C[C@](C)(O)[C@H](O)CC[C@@]3(C)O)[C@@H]21	2356383390	LGVNICNVBLDNFV-LSVRQGSLSA-N	398.540	2.421	0	1	GEAF	
COC(=O)[C@@]12C[C@H]3CN(CCc4c1[nH]c1ccc(OC)cc41)[C@H]2C[C@H]3[C@@H](C)O	2356491865	RGMOJRSLENXIRX-BABJXSFBSA-N	384.476	2.235	0	1	GEAF	
COc1cc2c(cc1OC)[C@]13CCN4CC(=CCO)[C@@H](C[C@H]41)C1=CCC(=O)N2[C@@H]13	2356619896	XTGYWZXUYFAABL-GWZVBESQSA-N	394.471	2.013	0	1	GEAF	
C[C@H]1CC(=O)N(CC(=O)Nc2cccc(F)c2)c2ccccc2S1(=O)=O	6806572	CBUZZVARSSQMJS-LBPRGKRZSA-N	376.409	2.363	0	3	GEAF	
CN(C)CCNC(=O)[C@H]1COc2cc(-c3cc(=O)c4ccccc4o3)ccc2O1	1617426	CASYHDUKAFDWMR-OAQYLSRUSA-N	394.427	2.278	0	1	GEAF	
COc1cc(Cn2cc(C(=O)NCc3c(C)cc(N)nc3C)cn2)cc(OC)c1	114078181	UTAJKCOBLAFYDW-UHFFFAOYSA-N	395.463	2.473	0	1	GEAF	
O=C(Nc1ccc(N2CCOCC2)nc1)c1nnc(Nc2cccc(F)c2)o1	38267843	WFDORLFOPZGMLU-UHFFFAOYSA-N	384.371	2.436	0	1	GEAF	
Cc1cc(N)nc(C[C@H]2CNC[C@H]2N(C)CCNCCc2cccc(F)c2)c1	40934616	JVMWZAGTWUFHRM-GHTZIAJQSA-N	385.531	2.006	0	1	GEAF	
CC(C)Oc1ccc2[nH]nc(-c3cc(N4CCN(CCF)C(=O)C4)ncn3)c2c1	221236923	KXJKBBFCGVDRCP-UHFFFAOYSA-N	398.442	2.425	0	1	GEAF	
COc1cccc(S(=O)(=O)Nc2ccc(C(=O)CSC(C)=O)cn2)c1	42878544	DDFVLITVOZVAEE-UHFFFAOYSA-N	380.447	2.353	0	1	GEAF	
COC/C=C1\CN2[C@H]3C[C@@]45C(=Nc6cc7c(c(OC)c64)OCO7)OC[C@H]3[C@H]1C[C@H]25	96085800	WMCCCBHUPACQNU-ZBSVUBPESA-N	396.443	2.401	0	1	GEAF	
COCCOC1CCC2(CC1)Cc1ccc(Cl)cc1[C@@]21N=C(N)N(C)C1=O	140689909	CTSKFXOISVNIHW-OAAAQFAESA-N	391.899	2.470	0	1	GEAF	
COCCN(C[C@H]1N[C@H](CO)[C@H]1c1ccc(-c2cccc(F)c2)cc1)C(C)=O	95895146	CTAZZCWMPWUAQF-VSKRKVRLSA-N	386.467	2.404	0	1	GEAF	
CCc1cn(C2=NCC(=O)N3CCc4c(cccc4C4(F)COC4)C3=C2)cn1	149082179	PQFSNCPHJWDIBO-UHFFFAOYSA-N	380.423	2.327	0	1	GEAF	
COC(=O)Cc1cc(OC)n(-c2nc(N3CCCCC3)ncc2F)c1OC	587945302	MRVMQNSSANZHNJ-UHFFFAOYSA-N	378.404	2.129	0	1	GEAF	
N=C(N)c1ccc2nc(CCC(=O)Nc3nnc(-c4ccncc4)s3)[nH]c2c1	587024251	RARDGHADGIFYNC-UHFFFAOYSA-N	392.448	2.332	0	1	GEAF	
C[C@H]1Cc2ccc(F)c(Br)c2C2(CCN(S(C)(=O)=O)CC2)N1	587842353	USTPCIVNBTVZTL-JTQLQIEISA-N	391.306	2.373	0	1	GEAF	
CNC(=O)[C@H](CCCCCCNC(=O)c1cc(-c2ccc(N)cc2)on1)N=O	169724754	LUOBQTLGSXROBD-HNNXBMFYSA-N	387.440	2.485	0	1	GEAF	
O=C(O)[C@]1(OCc2cccc(-c3cc4ccccc4o3)c2)C[C@@H](O)[C@@H](O)[C@H](O)C1	101025996	KTJRURZIDZDFOU-PCBBRVBVSA-N	398.411	2.316	0	1	GEAF	
CC=C1CN(C=O)[C@H]2C[C@]3(C(=O)N(OC)c4cc(OC)ccc43)[C@H]3C[C@H]1[C@H]2CO3	2356335778	CVZRLVRONXDZMM-GDUWAJGQSA-N	398.459	2.053	0	1	GEAF	
CCOc1ccccc1C1=NO[C@H](c2ccccc2OC)[C@H]1C(=O)NCCO	4152616	RITMDUZHGVEGCL-AZUAARDMSA-N	384.432	2.294	0	1	GEAF	
C[C@H]1C(=O)c2nc(CCCN3N=C(c4ccccc4)CCC3=O)[nH]c2N(C)C1=O	100034431	YOIZQXAGEQWQCJ-ZDUSSCGKSA-N	393.447	2.164	0	1	GEAF	
CC(C)(CCc1ccc2c(c1)OCO2)NC[C@@H](O)c1ccc(O)c(C(N)=O)c1	27078658	HRQHLBYFQNPMAQ-QGZVFWFLSA-N	386.448	2.254	0	1	GEAF	
CC(=O)O[C@@H]1C[C@H](CO)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21	2356431344	MMJWMAXYKPRTQH-ZDLIOGQNSA-N	378.465	2.142	0	1	GEAF	
CCOC(=O)[C@H](C(N)=O)c1c(Cl)cnn(Cc2cccc3ccccc23)c1=O	73407377	TYNAMBKEOKTWCY-KRWDZBQOSA-N	399.834	2.230	0	1	GEAF	
CC(C)NC(=O)N1[C@H](CN(C)C(=O)c2cccnc2)[C@@H](c2ccccc2)[C@@H]1CO	95895169	GJAZMKMKHGOQQI-HSALFYBXSA-N	396.491	2.101	0	1	GEAF	
CCOC(=O)c1cc(Br)c2[nH]c(C3[C@H](C(=O)O)[C@H]3C(=O)O)nc2c1	587971182	VUDFSJLVTVPSJP-UWVGGRQHSA-N	397.181	2.001	0	1	GEAF	
COC(=O)C1=C(CN2CCOCC2)N=C(C2CC2)N[C@@]1(C)c1ccc(F)cc1	1857620064	DXFGCYVACLDRSC-NRFANRHFSA-N	387.455	2.212	0	1	GEAF	
Cc1ccc(Cl)cc1-c1ccc(C(=O)N[C@H](CCCNC(=N)N)C(=O)O)o1	28707132	AGBGPYUVINQNMB-CYBMUJFWSA-N	392.843	2.355	0	1	GEAF	
CCCCN1CCN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3CC)CC1	26822751	CZMDVKOZRVWZEU-UHFFFAOYSA-N	376.432	2.176	0	1	GEAF	
C[C@H](NC(=O)C[C@@H]1C(=O)N[C@H](c2ccccn2)N[C@@H]1C)c1ccc(F)cc1F	212586463	BOEWYRHUEHZAQP-YBQLKJDGSA-N	388.418	2.350	0	1	GEAF	
CNC[C@H](O)CCN1c2ccccc2N(c2ccc(F)c(F)c2)S1(=O)=O	49037395	RDRQTGHODUVHMX-CYBMUJFWSA-N	383.420	2.138	0	1	GEAF	
Nc1cnc(-c2ccc(C3CCC3)c(OC[C@@H](O)Cn3cncn3)c2F)cn1	224547270	LPPISTNBEJGRQP-ZDUSSCGKSA-N	384.415	2.164	0	1	GEAF	
CC[C@@H](NC(=O)c1cc(C(=O)NCC(C)(C)O)n2c1COCC2)c1ccccc1	143782603	ZTQHLADDVSZZGX-QGZVFWFLSA-N	399.491	2.400	0	1	GEAF	
O=C(NCC[C@@H]1CC[C@@H](NC(=O)C2CCCC2)[C@H](CO)O1)c1ccc(F)cc1	95903418	PCXDMLTYWGHPKQ-OTWHNJEPSA-N	392.471	2.161	0	1	GEAF	
O=C(O[C@@]12[C@@H]3[C@H]4C[C@H]5[C@@H]6[C@@H]4[C@@H]1[C@@H]6[C@@]1(OCCCN12)[C@H]53)c1n[nH]c2ccccc12	299806722	NKBYXRWOKPTCIZ-NKOMLXQBSA-N	375.428	2.236	0	1	GEAF	
Cc1cc(-c2nc3c(O)nc(O)nc3[nH]2)ccc1NS(=O)(=O)C(F)(F)F	587125887	VBZVPDLXBRTHAZ-UHFFFAOYSA-N	389.315	2.001	0	1	GEAF	
CCCCCc1[nH]c2ccc(S(C)(=O)=O)cc2c1C(=O)N[C@@H]1CCOC1=O	587650584	OCMSZXNJXVPFQK-MRXNPFEDSA-N	392.477	2.349	0	1	GEAF	
O=C(O)[C@@H]1Cc2cccc(OC(F)(F)F)c2[C@H](c2cncc3c2NCCO3)N1	962628746	FRWHVPOUHWDXIE-ZBEGNZNMSA-N	395.337	2.473	0	1	GEAF	
COC[C@@H](NC(=O)Nc1cc2[nH]nc(N3CCOCC3)c2cn1)c1ccccc1	1772651746	PYXXBOIHLXSVDB-QGZVFWFLSA-N	396.451	2.304	0	1	GEAF	
Nc1ncnn2c(-c3cccc(N4CCOCC4=O)c3)cc(C(F)(F)F)c12	1772651717	KHLCTQKEVDWYTO-UHFFFAOYSA-N	377.326	2.361	0	1	GEAF	
Cc1ccc2c(c1)CN(CCNC(=O)[C@@H]1CC(=O)N(CC(C)C)C1)C[C@@H](C)O2	11839060	KFDBEKAQVWVNHA-IEBWSBKVSA-N	387.524	2.199	0	1	GEAF	
C[C@]1(CN)CCN(c2c(F)c(N)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C1	13883340	OPTWMJOQCCZCEL-LJQANCHMSA-N	392.406	2.070	0	1	GEAF	
C[C@@H]1C[C@@]2(S(=O)(=O)c3ccccc3)ON1C[C@@H]2S(=O)(=O)c1ccccc1	17189989	FKVMUDUSITZBLP-JLSDUUJJSA-N	393.486	2.039	0	1	GEAF	
CC[C@@H]1[C@@H]2CCCCN3[C@H]([C@@H]4C[C@@H](C)C(=O)O4)CC[C@]23[C@H]2[C@@H]1OC(=O)[C@]2(C)O	169308875	SVSUKQDSRBZWNP-QVMKZURUSA-N	391.508	2.274	0	1	GEAF	
CNC(=O)[C@@H](CCCCCCNC(=O)c1cc(-c2ccc(N)cc2)on1)N=O	169724753	LUOBQTLGSXROBD-OAHLLOKOSA-N	387.440	2.485	0	1	GEAF	
CNC(=O)/C=C/c1c(NS(=O)(=O)c2cccs2)cc2c(c1OC)OCO2	1857656758	HDQJAUIGCPTYNR-AATRIKPKSA-N	396.446	2.045	0	1	GEAF	
COC(=O)[C@@H]1O[C@@H](c2c(OC)c(OC)c(C)c(OC)c2OC)[C@H](C)[C@@H](O)[C@@H]1C	7998503	XNBRTCLPKYZJOR-INARIHLISA-N	398.452	2.275	0	1	GEAF	
CNS(=O)(=O)c1ccccc1Nc1nc(Nc2ccnn2C)ncc1Cl	117501700	YOMHVSVKOIYDPL-UHFFFAOYSA-N	393.860	2.259	0	1	GEAF	
COC(=O)c1sccc1S(=O)(=O)Nc1onc(C)c1Br	26182800	GFJCZELBSGPAPC-UHFFFAOYSA-N	381.229	2.394	0	1	GEAF	
CC(=O)c1ccc(NC(=O)O[C@@H]2CO[C@@H]3[C@H](NCc4ccco4)CO[C@@H]23)cc1	2356819098	DYYBIHOHWKCXMM-MKXGPGLRSA-N	386.404	2.355	0	1	GEAF	
CCCCNC(=O)OC[C@@H](O)Cn1cc(CN(C)CC2CCCCC2)nn1	82153251	GJFPCYAMHJJUHN-SFHVURJKSA-N	381.521	2.177	0	1	GEAF	
Cn1cc(-c2cc(S(C)(=O)=O)ccc2N[C@H]2CCOC2)c2cc[nH]c2c1=O	146473605	JENZEOHHTZWURR-LBPRGKRZSA-N	387.461	2.138	0	1	GEAF	
C[C@@H]1[C@H](O)C[C@]23CC(=O)OC[C@@]1(C)[C@@]2(O)[C@@H](OC(=O)c1ccccc1)C[C@H]3C	238773234	XREBTCQRSAHAHG-PUQAHJBDSA-N	388.460	2.323	0	1	GEAF	
CC(=O)N1CCN(C(=S)SCc2cn(Cc3ccccc3F)nn2)CC1	96285717	NSEJHSOIBOFXAC-UHFFFAOYSA-N	393.513	2.148	0	1	GEAF	
Cn1c(=O)c(Oc2ccc(F)cc2F)cc2cnc(N3CCC(O)CC3)nc21	653803257	CUOLILYHAIOACL-UHFFFAOYSA-N	388.374	2.360	0	1	GEAF	
COc1ccccc1OCC(=O)NC[C@@H]1CCCN(Cc2cnn(C)c2C)C1	12717599	YPNHLIVQGDCBEF-KRWDZBQOSA-N	386.496	2.144	0	3	GEAF	
CN1C(=O)C[C@@]2(C1=O)C(=O)N(Cc1ccc(Cl)cc1)C(=O)c1ccccc12	13601176	XNKNUNSZJIMOJP-HXUWFJFHSA-N	382.803	2.149	0	1	GEAF	
O=P(O)(O)C(O)(Cc1cccc(-c2cc(F)ccc2F)c1)P(=O)(O)O	13673816	JUTGJMXTAXVXNF-UHFFFAOYSA-N	394.203	2.176	0	1	GEAF	
COc1ccc(S(=O)(=O)N2C(=O)NC(=O)[C@@]23CCCc2ccccc23)cc1	1857572053	DIHIUCLQDJDRLO-IBGZPJMESA-N	386.429	2.168	0	1	GEAF	
CC(C)OC(=O)[C@H](Cn1ccnc1)NC(=O)c1cnc(-c2ccccc2)nc1	1857751390	UCGBPSQGNHWRJF-KRWDZBQOSA-N	379.420	2.090	0	1	GEAF	
Cc1nc(-c2ccco2)cc([C@H]2CN3CC[C@H]2C[C@@H]3CNC(=O)CCC(=O)O)n1	8623090	AQSSFCKXYOXDJC-XHSDSOJGSA-N	398.463	2.204	0	1	GEAF	biogenic
COc1cc(C)c(C(=O)Oc2c(C)cc(O)c(C=O)c2O)c(O)c1C(=O)O	13433620	JQHGZAGUFPJYDL-UHFFFAOYSA-N	376.317	2.159	0	1	GEAF	biogenic,in-vitro
C[C@H]1CN(c2c(F)c(F)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)CCN1	29401222	UVPAOMFBMNZWTA-QMMMGPOBSA-N	381.354	2.250	0	1	GEAF	
c1ccc(CN[C@@H]2CO[C@@H]3[C@@H](Nc4nccc(-c5ccco5)n4)CO[C@H]23)cc1	36368684	OQMFJLOMERMOED-PIKOESSRSA-N	378.432	2.473	0	1	GEAF	biogenic
CN(Cc1cc2ccccc2n1C)C(=O)/C=C/c1cnc2c(c1)CNCC(=O)N2	38559996	AADOHFJTSDFAAF-BQYQJAHWSA-N	389.459	2.287	0	1	GEAF	
C[C@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO	40475246	YYZXYYHUGHQGHI-WGONDTEMSA-N	394.483	2.120	0	1	GEAF	
O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(N[C@H]3C[C@@H]3c3ccccc3)nc(Cl)nc21	45496206	ZGLFUGCOCLZCQG-XWAOVWAASA-N	397.866	2.360	0	1	GEAF	
O=C(NC[C@@H]1CCCN1)c1ccc(-c2cnc3ccc(NC4CC4)nn23)cc1	58590700	YPTGGZAVFWQNCY-KRWDZBQOSA-N	376.464	2.452	0	1	GEAF	
COc1cc2nc(NC[C@H](O)CO)nc(NCc3ccccc3)c2cc1OC	82126436	SSSRIGCNAJWUAD-AWEZNQCLSA-N	384.436	2.024	0	1	GEAF	
Nc1cc(Nc2cc(Cl)ccc2F)nc2c(/C=C3\NC(=O)NC3=O)cnn12	205026480	LGEPKJARNKBUNX-JYOAFUTRSA-N	387.762	2.028	0	1	GEAF	
CCn1nccc1Oc1cc([C@H](O)C2CCOCC2)cnc1NC(=O)NC	299838000	PWILAOBHMITSNB-MRXNPFEDSA-N	375.429	2.302	0	1	GEAF	
CN(Cc1nc2ccc(C(N)=O)cc2[nH]1)S(=O)(=O)c1ccc(Cl)cc1	586929056	QKGDWMFWAKUHOZ-UHFFFAOYSA-N	378.841	2.136	0	1	GEAF	
COC(=O)c1cc2nc(CNS(=O)(=O)/C=C/c3ccc(C)cc3)[nH]c2cn1	586941146	OSGIOCIORSVMLW-BQYQJAHWSA-N	386.433	2.143	0	1	GEAF	
O=C1[C@@H]2Cc3nc[nH]c3[C@@]3(CCCC[C@@H]3C(F)(F)F)N2C(=O)[C@@H]2CCCN12	963219682	TYYXEZRMCHVFPG-MRHIQRDNSA-N	382.386	2.115	0	1	GEAF	
N=C(N)NCCc1cn(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)nn1	1772584793	PNUCUUBKBZWCOJ-UHFFFAOYSA-N	380.296	2.390	0	1	GEAF	
Cn1ccnc1CN1C(=O)CO[C@@H]2CN(Cc3ccc(C(F)(F)F)cc3)C[C@H]21	2356286504	ZWDMALKJUWNELU-HZPDHXFCSA-N	394.397	2.051	0	1	GEAF	
CC(C)NC(=O)NC[C@@H]1C[C@H]2CCN1C[C@H]2CN1CCN(c2ccccc2)CC1	2356298157	XYNOWFLKYUJNNO-SJBKTWHCSA-N	399.583	2.227	0	1	GEAF	
COc1ccc(OCCCC(=O)O)cc1Cc1cnc2nc(N)nc(N)c2c1C	13646363	XDSAURPJEDMHGD-UHFFFAOYSA-N	397.435	2.341	0	1	GEAF	
O=C([C@@H]1Cc2ccc(-c3cccc(-c4nnn[nH]4)c3)cc2CN1)N1CC[C@H](F)C1	14958964	XBWNUNHLYKHRFT-OALUTQOASA-N	392.438	2.118	0	1	GEAF	
CC(C)=C[C@@H](O)[C@H]([C@@H](O)CCC1(C)OCCO1)S(=O)(=O)c1ccccc1	31900677	RDJDOTSCUNITOZ-KSZLIROESA-N	384.494	2.060	0	1	GEAF	
CC(=O)Nc1c2n(c(=O)n(Cc3ccc(F)cc3)c1=O)[C@@H](c1ccccc1)CN2	82210670	PSJCSXNDBGGDLR-QGZVFWFLSA-N	394.406	2.171	0	1	GEAF	
COC(=O)C1=C2Nc3cc(OC)ccc3[C@@]23CCN2CCC[C@@]([C@H](C)O)(C1)[C@H]23	86052962	RFESMOWWVVPMAX-PXAUIPFGSA-N	384.476	2.425	0	1	GEAF	
COCCOc1cc(F)cc([C@H]2CCCN2c2ccn3ncc(C(N)=O)c3n2)c1	169704175	GVXOANLMUATURP-QGZVFWFLSA-N	399.426	2.334	0	1	GEAF	
COc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2ccc(=O)n(C)n2)nc1	209443697	FHMNAIVNKWYOCT-HIFRSBDPSA-N	379.420	2.132	0	1	GEAF	
CCOC(=O)C1(C(=O)OCC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	587597820	RZSRDJUREHWHSZ-HNNXBMFYSA-N	386.356	2.219	0	1	GEAF	
C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCC3(CC2)NC(=O)NC3=O)N1	587790564	DJONLWNACQQRKI-QIGGRQAVSA-N	396.260	2.470	0	1	GEAF	
Cn1ccc(-n2cc(C(=O)OC3C[C@H]4COC[C@@H](C3)N4)c3ccccc32)cc1=O	1772592291	FPVVVYQZGCGRIZ-FKEKPDDDSA-N	393.443	2.005	0	1	GEAF	
COCc1cc(C[C@@H]2CC[C@@H](O)[C@H](CNCc3ccc(OC)cc3)O2)no1	2356333603	UQTHJSPUBPBGGS-SXLOBPIMSA-N	376.453	2.070	0	1	GEAF	
C[C@@H]1OC(c2ccccc2O)=N[C@@H]1C1=N[C@H](C2=N[C@H](C(=O)O)CS2)CS1	2356453842	OFLSZRFPWRAFSU-DJFWLOJKSA-N	391.474	2.039	0	1	GEAF	
COCC(=O)N[C@@H]1[C@@H](c2cccs2)N(Cc2c(C)noc2C)CC[C@@]1(C)O	2356639903	IJAGCDROCYJMBS-GUDVDZBRSA-N	393.509	2.182	0	1	GEAF	
Cn1c(CCNS(=O)(=O)c2ccccc2)nnc1SCc1cccnc1	4932647	GXMKUJMUQZPQBY-UHFFFAOYSA-N	389.506	2.023	0	3	GEAF	
COc1ccc(C(=O)N[C@@H]2[C@H](c3ccc(C(F)(F)F)nc3)C[C@@H](O)[C@@H]2O)cc1	2356287045	XKDVBHFVUCZXLU-ABFRBSLYSA-N	396.365	2.117	0	1	GEAF	
O=C1CCC2(CCCC2)CC(=O)N1CCCCN1CCN(c2ncccn2)CC1	26169472	HNIHTAZQSIKSSY-UHFFFAOYSA-N	399.539	2.478	0	1	GEAF	
Cc1ccc(S(=O)(=O)NC[C@H]2C[C@H]3CCN2C[C@H]3CN2CCCC2)cc1	2356828752	IKRYLIKKYBXONJ-GUDVDZBRSA-N	377.554	2.080	0	1	GEAF	
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CC[C@@H]([C@H](C)NC)C3)c(OC)c21	38496616	ZVNHDSDGQFFAIC-NWDGAFQWSA-N	391.443	2.302	0	1	GEAF	
Cn1nc(C(=O)N2CCN(CC(=O)c3ccc(F)cc3)CC2)cc1-c1ccco1	139825887	RXLMQYCTADGJGT-UHFFFAOYSA-N	396.422	2.460	0	1	GEAF	
CCC(=O)N1[C@@H](CO)[C@H](c2ccc(-c3ccccc3)cc2)[C@@H]1CNC(=O)COC	95894989	NZQVWEYIOJOZRO-SXWKCWPCSA-N	396.487	2.182	0	1	GEAF	
COC(=O)c1ccc(Cl)c(NC(=O)c2cc3cnc(OC)nc3[nH]c2=O)c1	95921342	SIVLENRHVVVPKJ-UHFFFAOYSA-N	388.767	2.019	0	1	GEAF	in-vitro
O=S1(=O)NC[C@@]2(CCN(Cc3ccc(Cl)s3)C2)Oc2ncccc21	299849879	HRJROEQRDXMVSK-OAHLLOKOSA-N	385.898	2.112	0	1	GEAF	
C[C@H](Oc1ccccc1)C(=O)NCc1nc2ccc(N3CCN(C)CC3)cc2[nH]1	587223828	GQRUPFIYCPOBLJ-INIZCTEOSA-N	393.491	2.398	0	1	GEAF	
CCOC(=O)CCCC(=O)NCCC[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3	587428840	LNKLSBUXBZVCLS-HOTGVXAUSA-N	389.448	2.441	0	1	GEAF	
CN(C)CCOc1ccc2nc(Cc3ccccc3NS(C)(=O)=O)[nH]c2c1	586950046	NQGOLVQSNGBMOM-UHFFFAOYSA-N	388.493	2.466	0	1	GEAF	
OC1CCN(C[C@H](O)CC(O)(c2ccc(F)cc2)c2ccc(F)cc2)CC1	5127278	SCHHIRRGUHQLIR-HXUWFJFHSA-N	377.431	2.408	0	1	GEAF	
Cc1ccc(C2(c3ccc(C)cc3)NC(=O)N(CCN3CCOCC3)C2=O)cc1	13473141	QEEBHTZADGCHRU-UHFFFAOYSA-N	393.487	2.431	0	1	GEAF	
CC[C@H](C)NCc1cccc(S(=O)(=O)c2csc(S(N)(=O)=O)c2)c1	13727908	ZBMVGQKSAIYMRW-NSHDSACASA-N	388.536	2.116	0	1	GEAF	
CCc1nn([C@H]2CCS(=O)(=O)C2)c2c1CCN(c1cccc(OC)c1)C2=O	13779817	LSARSGAQJQDEIH-AWEZNQCLSA-N	389.477	2.017	0	1	GEAF	
O=c1[nH]c(O)c(-c2cc(Cl)ccc2S(=O)(=O)NCc2ccccc2)[nH]1	169712842	FVLYWQFXTTZMGK-UHFFFAOYSA-N	379.825	2.208	0	1	GEAF	
Cc1cc(=Nc2cc(N3CCN(C)CC3)nc(Nc3ccc(F)cc3)n2)[nH][nH]1	1857750112	NIVIVGADJDEGJO-UHFFFAOYSA-N	382.447	2.308	0	1	GEAF	
COC(=O)[C@@H]1CCC(=O)N1C(c1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2	1645079	PXLSWHBCHOHGNX-AWEZNQCLSA-N	397.383	2.397	0	1	GEAF	
COc1ccccc1NC(=S)[C@H]1C(=O)c2ccccc2N(C)S1(=O)=O	5993262	OFQGXQZSUYJJOY-MRXNPFEDSA-N	376.459	2.466	0	1	GEAF	
Cc1ccsc1CCNS(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)s1	20574776	VMEGCDQYHIVEFW-UHFFFAOYSA-N	381.504	2.389	0	1	GEAF	
O=C(NN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O)c1cccc(Br)c1	58662580	IYWDNVOMIGEONH-LEYGVYNDSA-N	387.233	2.147	0	1	GEAF	
CC(=O)NCCNC(=O)c1cnc(N2C[C@@H](C)C[C@@H](C)C2)nc1-c1ccco1	82142955	NILJFQLFECMQHN-OKILXGFUSA-N	385.468	2.085	0	1	GEAF	
C[C@@H]1CNc2c(NCc3ccccc3F)c(=O)n(Cc3ccncc3)c(=O)n21	82211339	CBNWLHDFGFLAHG-CYBMUJFWSA-N	381.411	2.191	0	1	GEAF	
O=C(C1CCC1)N1CC2(C1)[C@@H](c1ccccc1)[C@H](CO)N2C(=O)c1cccnc1	95872066	UNIXKLNLSTUFNF-PMACEKPBSA-N	391.471	2.063	0	1	GEAF	
Cc1noc(C)c1Cn1cc(N2C(=O)CN(Cc3ccc(O)cc3)C2=O)cn1	115732334	RMCGUMMUZSKYJB-UHFFFAOYSA-N	381.392	2.211	0	1	GEAF	
Cn1cc(-c2cc(C(N)=O)nc3cc(CN4CCOC(C)(C)C4)ccc23)cn1	221600295	GUCLNMCJVCURJB-UHFFFAOYSA-N	379.464	2.345	0	1	GEAF	
COc1cccc2nc(-c3nc(O)nc(O)c3I)[nH]c12	587182916	UGDOJUVYKWBWJD-UHFFFAOYSA-N	384.133	2.044	0	1	GEAF	
COc1cc2c3c(c1)O[C@](CN1CCOCC1)(c1c(C)nn(C)c1C)[C@@H](C2)C3=O	587429769	AQXFQQDXCYKSOY-JTSKRJEESA-N	397.475	2.021	0	1	GEAF	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(NCC(=O)O)nc2)N1	587752580	DSQNCCMPQINWIA-AYVTZFPOSA-N	395.232	2.498	0	1	GEAF	
COc1ccc(-c2cnc3c(N4CC[C@@H](NC(C)=O)C4)cc(C)nn23)cc1OC	1911573063	RJENUUOTWOCXPN-MRXNPFEDSA-N	395.463	2.437	0	1	GEAF	
COC(=O)c1ccc2nc(CO[C@@H]3CN(Cc4cccnc4)C[C@H]3F)[nH]c2c1	2356311074	HHBNLGUFOXITSD-CRAIPNDOSA-N	384.411	2.484	0	1	GEAF	
CC=C(C)C(=O)O[C@@H]1CC[C@@H]2C[C@]3(OC)OC(=O)C(C)=C3[C@@H]3OC(=O)[C@@H]1[C@]23C	2356601135	KZURABRWVCJYOG-QSRVNUMLSA-N	390.432	2.442	0	1	GEAF	
C[C@@]1(C(=O)NS(=O)(=O)c2ccc(F)cc2F)CCN1C(=O)c1ccccc1	61908541	FATNPXOSZHHVQB-SFHVURJKSA-N	394.399	2.075	0	3	GEAF	
CC(C)NC(=O)[C@@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(COc2ccccc2)nn1	2356300597	NMYSQKCNGKXHEO-ILZDJORESA-N	383.496	2.092	0	1	GEAF	
COC(=O)[C@@]12C[C@H]3C[C@H]([C@H](C)O)[C@H]1N(CCc1c2[nH]c2cc(OC)ccc12)C3	100163028	XGWIRMWTCWJZPG-UOZVLQRLSA-N	384.476	2.235	0	1	GEAF	
NCCNc1nc(-c2ccncc2)nc2sc3c(c12)CCN(C(=O)C1CC1)C3	223689391	QNICBKPNXMVOSR-UHFFFAOYSA-N	394.504	2.419	0	1	GEAF	
CS(=O)(=O)Nc1ccc(OC[C@@H](O)CNCCc2cccc(Cl)c2)cc1	40430246	ISRFSXSQTMAGNG-KRWDZBQOSA-N	398.912	2.284	0	1	GEAF	
CO[C@@H]1O[C@H](C)[C@H](NC(=O)OCC(Cl)(Cl)Cl)[C@@H]2OC(C)(C)O[C@H]21	254209870	YFKJKRUBPJRRGY-SOYHJAILSA-N	392.663	2.363	0	1	GEAF	
O=c1n(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c(O)c2n1CCC2	169714905	PUBYYTQEIXPINL-UHFFFAOYSA-N	382.386	2.100	0	1	GEAF	
CCc1c(C(=O)c2cccc3ccccc23)n(C/C=C/C(=O)OC)c(=O)[nH]c1=O	28652490	CJCWLRONCCJTSX-KPKJPENVSA-N	392.411	2.212	0	1	GEAF	
COc1ccc([C@H](O)[C@@H]2CO[C@@H](c3ccc4c(c3)OCO4)[C@@H]2CO)cc1OC	2356519507	FJXKIGDEXMHOCZ-RPQNVMPDSA-N	388.416	2.462	0	1	GEAF	
O=C1c2cc3c(cc2OCN1C[C@@H](O)c1ccccc1)C(=O)N1CCC[C@H]1O3	72124940	LIXIVCSGPSXRLV-VQIMIIECSA-N	380.400	2.167	0	1	GEAF	
COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2ccc(S(N)(=O)=O)cc2[nH]1	586916450	MMRHSJODGQJYDZ-IFXJQAMLSA-N	385.445	2.427	0	1	GEAF	
COc1cc2c3c(c1)O[C@@H]([C@H]1COCCN1C(=O)OC(C)(C)C)[C@@H](C2)C3=O	587436902	UZCIIKIIAOTOIO-PMUMKWKESA-N	375.421	2.447	0	1	GEAF	
N=c1[nH]cc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)nc-2[nH]1	586959871	LMTKJLXRXPCNOK-KCXAZCMYSA-N	398.492	2.412	0	1	GEAF	
CCOC(=O)[C@H]1C(=O)N(C)CC[C@]12c1cccc(Br)c1CCN2C	963290489	XBSVTGKMSUTIDY-QAPCUYQASA-N	395.297	2.174	0	1	GEAF	
COC(=O)[C@@H]1SCC[C@]12N[C@H](C(=O)O)Cc1c(C(F)(F)F)cc(F)cc12	962704123	UIPHOFCDUQQVRK-SLEUVZQESA-N	393.358	2.317	0	1	GEAF	
Cn1c(-c2ccccc2)nc2c(c1=O)CN(C(=O)c1ccc(C(=O)O)cc1)CC2	1857542488	MLEXZDDSAFOKBW-UHFFFAOYSA-N	389.411	2.344	0	1	GEAF	
COc1cnc(C(=O)Nc2ccc(F)c([C@]3(C)C=C(CF)OC(N)=N3)c2)cn1	147609520	SPJCTRRFHZHVDF-SFHVURJKSA-N	389.362	2.290	0	1	GEAF	
CCc1ccc(N2C(=O)C[C@@H](N3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)C2=O)cc1	4039878	CKOLHMOLPBZYCO-FUHIMQAGSA-N	391.471	2.162	0	1	GEAF	biogenic
COCC[C@@](O)(C(=O)O[C@H]1CN2CCC1CC2)c1cccc(Br)c1	13650140	RFBRDNUZPRPAFU-WMZOPIPTSA-N	398.297	2.311	0	1	GEAF	
COC(=O)[C@@]1(C)N[C@H](c2cccs2)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]21	19460695	UAQUHXAYVUOFLR-HRLGVUPISA-N	388.420	2.269	0	1	GEAF	
NS(=O)(=O)c1ccc(NNCc2cc(=O)oc3cc(Cl)ccc23)cc1	27737131	AJXFQQIEQSEZCN-UHFFFAOYSA-N	379.825	2.211	0	1	GEAF	
Cc1cc(-n2ncc(=O)[nH]c2=O)cc(C)c1[S@](=O)c1ccc(Cl)cc1	28764284	RESRVGPRCDFHJH-VWLOTQADSA-N	375.837	2.358	0	1	GEAF	
O=C(Nc1ccccc1F)N[C@@H]1C=C[C@H](CC(=O)N2CCCCC2)O[C@H]1CO	95906438	DLOREXMLRXXTRO-OLMNPRSZSA-N	391.443	2.034	0	1	GEAF	
Cc1cc(C)nc(N2C[C@@H]3CN(C(=O)c4cccnc4-c4ccn[nH]4)C[C@H]3C2)n1	116823752	DTWYRJKWNIHGNW-HOTGVXAUSA-N	389.463	2.087	0	1	GEAF	
CC(CN)=C1CCN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1	136140795	OMJJAQMHMLAXMX-UHFFFAOYSA-N	386.427	2.444	0	1	GEAF	
COC(=O)[C@@]1(C)N[C@@H](c2ccc(OC)cc2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21	169355608	OMQWKBLGWQPJBD-QLDGJZPUSA-N	394.427	2.077	0	1	GEAF	
CCc1nnc2c(C(=O)N(CC)CC)c(N3CCN(C)CC3)c3cccnc3n12	299825875	LGNLJZJREJEUKF-UHFFFAOYSA-N	395.511	2.074	0	1	GEAF	
COc1cc(Cn2c(=O)ccc3cccc(OC)c32)cc(N2CCNCC2)c1	299832829	WLLRXNVTPJHKPX-UHFFFAOYSA-N	379.460	2.477	0	1	GEAF	
O=C(O)c1ccnc(-c2cn([C@H]3CCN(C(=O)CCc4ccccc4)C3)nn2)c1	473134069	BMDGMELYSLPYAP-KRWDZBQOSA-N	391.431	2.445	0	1	GEAF	
O=S(=O)(N[C@H](c1ccccc1)c1nc2c(O)ncnc2[nH]1)c1ccc(F)cc1	587171543	RLCNQVPMBPFBKO-CQSZACIVSA-N	399.407	2.266	0	1	GEAF	
Cc1c2c(nn1C)[C@@H](c1ccc3c(c1)c(C=O)c(Cl)n3C)N[C@H](C(=O)O)C2	962720111	ZATBISVHRFOOJG-GOEBONIOSA-N	386.839	2.374	0	1	GEAF	
C[C@]1(CS(C)(=O)=O)N[C@@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21	963175979	HGFNTQRVIJDJLN-DGCLKSJQSA-N	385.791	2.218	0	1	GEAF	
COc1ccc([C@@H]2C[C@H](O)[C@@H](O)[C@H]2NC(=O)c2nc3ccccc3s2)cc1	2356306030	AFOKJUAAOYMUDZ-QXRTWZOPSA-N	384.457	2.313	0	1	GEAF	
C[C@@H]1C(=O)Nc2ccc(S(=O)(=O)NCc3ccc(Cl)cc3)cc2NC1=O	6817306	JPTSMERQBNPGEU-SNVBAGLBSA-N	393.852	2.345	0	3	GEAF	
CCCOc1ccc2cc(C(=O)NCCn3ccc(=O)c(O)c3C)c(=O)oc2c1	1911573473	FWAAMTDVSJVPDK-UHFFFAOYSA-N	398.415	2.188	0	1	GEAF	
C[C@@H](Oc1cccc2cccnc12)C(=O)NC[C@H](O)CN1Cc2ccccc2C1	217092513	MFLPZXZETDMETA-UZLBHIALSA-N	391.471	2.495	0	1	GEAF	
Nc1ccc(S(=O)(=O)N(COC(=O)c2ccccc2)c2ncccn2)cc1	72178617	VABXNGPYVRIKTL-UHFFFAOYSA-N	384.417	2.069	0	1	GEAF	
Nc1ncc(-c2ccc(C3(c4noc(-c5c[nH]ccc5=O)n4)CCC3)cn2)cn1	96175512	VBUAYVNBKPQCCW-UHFFFAOYSA-N	387.403	2.329	0	1	GEAF	
COC(=O)C[C@@H]1c2c(ccc3c2C(=O)C(=O)N3C)-c2ccccc2N1C(C)=O	299862182	MPFPAGDUFGMXIZ-MRXNPFEDSA-N	378.384	2.483	0	1	GEAF	
COc1cc2c3c(c1)O[C@@]1(CCN(C(=O)C(F)(F)F)/C1=C/N(C)C)[C@@H](C2)C3=O	587422173	SBRATXSPICAVPR-ZLMMZNSPSA-N	396.365	2.379	0	1	GEAF	
CCOc1cc(-n2c3c(c4c2OC(=O)C4)CC(=O)O3)c(Cl)cc1C(=O)O	587939468	AIKPKTYJBBRLPR-UHFFFAOYSA-N	377.736	2.151	0	1	GEAF	
Cc1cc2c(cc1O)[C@H](c1cnc(N)c(Br)c1)N[C@H](C(=O)O)C2	963556359	XBVHMQCHSQOWRH-JSGCOSHPSA-N	378.226	2.129	0	1	GEAF	
CCN(CC)CCNC(=O)c1cc(I)ccc1OC	13814402	CARAKKDHFRNODA-UHFFFAOYSA-N	376.238	2.371	0	1	GEAF	
O=c1c2c(O)c(I)c(O)cc2ncn1-c1ccc(O)cc1	13685409	FUWLQYUIXLVECC-UHFFFAOYSA-N	396.140	2.107	0	1	GEAF	
O=C(Nc1ccc(C2CCCCC2)cc1)[C@@H]1C(=O)N[C@H](Cc2ncc[nH]2)C1=O	169727320	PROCPCGEIGHULW-SJLPKXTDSA-N	380.448	2.322	0	1	GEAF	
CCOC(=O)[C@H](C(C)=O)c1nc(C)nc2c1nnn2Cc1ccccc1Cl	1347438	XJJBSQQXRVIITG-CQSZACIVSA-N	387.827	2.467	0	3	GEAF	
O=C1C[C@](O)(C(F)(F)F)c2c(n[nH]c2C2CCN(c3ccccn3)CC2)N1	1857543274	WVMWLQLFMDDMPA-MRXNPFEDSA-N	381.358	2.281	0	1	GEAF	
C[C@H]1CCCCN1CCCN1CC(=O)N(CCc2ccc(F)cc2)CC1=O	28471241	LEERABIXWHCMLC-KRWDZBQOSA-N	375.488	2.304	0	1	GEAF	
O=C1NC(=O)[C@H](Cc2ccc(OC[C@@H]3CN(c4ccccn4)CCO3)cc2)S1	26576294	BFPDABDSWKDGOH-IRXDYDNUSA-N	399.472	2.260	0	1	GEAF	
CCNC(=O)Nc1nc2cc(-c3cccnc3)c(=O)n([C@@H](C)C(=O)O)c2s1	103263645	XGAMHWBNQFNHNU-VIFPVBQESA-N	387.421	2.307	0	1	GEAF	
O=C1CC2(CCCCCC2)C(=O)N1CCCCN1CCN(c2ncccn2)CC1	26156492	BDAOTIGDMBHTFV-UHFFFAOYSA-N	399.539	2.478	0	1	GEAF	
Cc1nc(-c2ccc(CN3CCN(C[C@@H]4CCCO4)CC3)cc2)[nH]c(=O)c1C	23429443	XJUMLRUBGZNSJV-FQEVSTJZSA-N	382.508	2.350	0	1	GEAF	
CC(=O)Nc1c2n(c(=O)n(Cc3ccc(Cl)c(Cl)c3)c1=O)[C@@H](C)CN2	82212595	LFLUPFVSEZLEEP-QMMMGPOBSA-N	383.235	2.310	0	1	GEAF	
COCC(=O)N1[C@@H]2CN(C(=O)Nc3ccccc3F)c3ccccc3[C@@H]2[C@@H]1CO	95893592	GNLKHVNMWWCHSH-HBFSDRIKSA-N	399.422	2.180	0	1	GEAF	
CCO[C@H]1C([N+](=O)[O-])=C2N(Cc3ccc(Cl)nc3)CCN2[C@]1(C)OCC	299848835	SAGYHGVAVOEZDM-DOTOQJQBSA-N	382.848	2.470	0	1	GEAF	
CCOC(=O)c1cnn2cc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cnc12	587436489	PWLREPSMJVOPHZ-FZKQIMNGSA-N	379.372	2.403	0	1	GEAF	
COc1cc2c3c(c1)O[C@@H](c1ccc(N4CCS(=O)(=O)CC4)cc1)[C@@H](C2)C3=O	587449707	CFYSPFYLFRLFDA-UWJYYQICSA-N	399.468	2.419	0	1	GEAF	
COc1cc2c(cc1OC)[C@@H](c1ccc(S(C)(=O)=O)nc1)N(C)[C@H](C)C2	962621156	IOMHRHKBBZPJOP-CWTRNNRKSA-N	376.478	2.468	0	1	GEAF	
COc1cc2nc(N3CCN(C(=O)c4ccco4)[C@H](C)C3)nc(N)c2cc1OC	13826090	IFHSATYJNUJCGC-GFCCVEGCSA-N	397.435	2.173	0	1	GEAF	
CCN1C(NCCCCO)=N[C@H](CCc2ccccc2)[C@@H](C(=O)OC)[C@@H]1C	169354920	ZWJWBCMKHNNTFV-UHOSZYNNSA-N	375.513	2.219	0	1	GEAF	
N=c1[nH]c2cc(-c3ccccc3)cc(CC(=O)O)c2c(=O)n1C[C@H]1CCCO1	1857758078	AOUAEGGOIGVXEL-MRXNPFEDSA-N	379.416	2.282	0	1	GEAF	
Cc1ccc(-c2nnn(CC(=O)Nc3ccccc3N3CCOCC3)n2)cc1	932050	VBWXASODMWCOJG-UHFFFAOYSA-N	378.436	2.124	0	3	GEAF	
CC(=O)CC1(O)C(=O)c2c(Br)sc(Br)c2C1=O	1658693	ZWWROTGNUHHHHR-UHFFFAOYSA-N	382.029	2.362	0	1	GEAF	
CCC(CC)C(=O)N1CC[C@](C)(O)[C@@H](NC(=O)COC)[C@@H]1c1cccs1	2356289180	QZZRWWWDCYRTRP-LNLFQRSKSA-N	382.526	2.340	0	1	GEAF	
C[C@@H]1CN(c2ccccc2F)CCN1c1nc(-c2ccncn2)cc(=O)n1C	114419146	CEYIDZTWCLQDMT-CQSZACIVSA-N	380.427	2.092	0	1	GEAF	
O=C(NCCn1cccn1)c1ccc([C@H]2CCCN2C(=O)c2ccon2)s1	20541502	IBZMYNWHQPUUKF-CQSZACIVSA-N	385.449	2.340	0	1	GEAF	
O=C(NCCc1c[nH]c2ccc(O)cc12)N1CCN(Cc2ccccn2)CC1	49286968	UNNCONODDKFEGJ-UHFFFAOYSA-N	379.464	2.338	0	1	GEAF	
Cc1cnc(N[C@@H](C)CO)nc1-c1c[nH]c(C(=O)N[C@H](CO)c2ccccc2)c1	89469294	GFFVZIWJCAWLJQ-KBXCAEBGSA-N	395.463	2.036	0	1	GEAF	
CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@@H](C)NC[C@H]1C	95679688	MLEIFZNHXKEZCN-PJIJBLCYSA-N	389.496	2.129	0	1	GEAF	
CN(Cc1nc2cc3c(cc2[nH]1)OCCO3)S(=O)(=O)c1ccc(F)cc1	587170890	UQKCFGYHFLJIPC-UHFFFAOYSA-N	377.397	2.294	0	1	GEAF	
CCOC(=O)C1(C(=O)OCC)N[C@H](C)Cc2ccc(F)c(Br)c21	587795350	IOBKJDRFZUKCDM-SECBINFHSA-N	388.233	2.444	0	1	GEAF	
Nc1n[nH]cc1[C@]1(c2cccs2)N[C@@H](C(=O)O)Cc2c1cnc1ccccc21	963231896	RWBBQIOQBWMZSH-OXQOHEQNSA-N	391.456	2.492	0	1	GEAF	
CC(C)(CF)n1cc(C(=O)O)c(=O)c2cc(F)c(N3C[C@H]4C[C@@H]3CN4)cc21	5834375	ZTODKFZMMOTKDN-GHMZBOCLSA-N	377.391	2.094	0	1	GEAF	
CC(C)CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@@H](O)[C@@]21CO1	14771151	XIQPIDYOUNZVOS-XCLNPWKQSA-N	380.437	2.091	0	1	GEAF	endogenous,in-man
O=C1C[C@H](Cc2ccccc2)NC(=O)[C@@H]1C(=O)Nc1ccc(C(F)(F)F)nc1	169727285	XUTYPXZWDYOJBC-BBRMVZONSA-N	391.349	2.355	0	1	GEAF	
c1cc(-c2ccc3ncnc(N=c4cc[nH]cc4)c3c2)nc(N2CCOCC2)n1	1857635099	WSCKFFRALALTNE-UHFFFAOYSA-N	385.431	2.484	0	1	GEAF	
CN(C)[C@H]1CO[C@@H]2C3=C[C@H]4OC(=O)[C@@]5(C)[C@@H](O)CC[C@](C)([C@H]3CC[C@@]21C)[C@@H]45	4097740	MRVMMDQTZLIFLF-QGPVAIGPSA-N	375.509	2.381	0	1	GEAF	in-vitro
O=C(O)c1ccccc1N1CC(=O)N(S(=O)(=O)c2ccc(Cl)cc2)C1=O	13763620	WUWMMXGYTQZKRX-UHFFFAOYSA-N	394.792	2.196	0	1	GEAF	
CC1(C)S[C@@H]2[C@@H](NC(=O)NCc3ccc4ccccc4c3)C(=O)N2[C@H]1C(=O)O	28253881	BRAVKTFEGFSEHZ-YQQAZPJKSA-N	399.472	2.155	0	1	GEAF	
CS(=O)(=O)NCCCn1c2c(c3ccccc31)C(=O)CN1CCCC[C@@H]21	29220269	SJPFQEVCEBFITC-INIZCTEOSA-N	375.494	2.304	0	1	GEAF	
CCOC(=O)C1=NO[C@H](c2ccc(N3CCN(C(=O)NC(C)C)CC3)cc2)C1	40916852	GXKDMDCCJVTPAR-SFHVURJKSA-N	388.468	2.307	0	1	GEAF	
Cc1noc(C)c1S(=O)(=O)N1CCC[C@](C)(C(=O)NCc2ccccc2)C1	65059586	VRDAQRSWEPBJNK-IBGZPJMESA-N	391.493	2.399	0	1	GEAF	
COC(=O)C[C@@H]1C=C[C@@H](NC(=O)Nc2ccc(C(F)(F)F)cc2)[C@H](CO)O1	95677643	PYGNPVIZRZQEAZ-MJBXVCDLSA-N	388.342	2.075	0	1	GEAF	
O=C(NC[C@H]1N[C@H](CO)[C@@H]1c1ccc(-c2cncnc2)cc1)C1CCCCC1	95871688	ZJXDUIZNQIOPCB-NJDAHSKKSA-N	380.492	2.256	0	1	GEAF	
NC(=O)[C@@H](O)[C@H](O)c1cccc(-c2ccc(Oc3ccc(Cl)nc3)cc2)n1	205452925	XAJNPHSIMCBHKT-MSOLQXFVSA-N	385.807	2.469	0	1	GEAF	
CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3nc(C(=O)OC)ccc3[nH]2)cc1	586937504	FPOOVZIYLLLMEQ-NSHDSACASA-N	388.449	2.488	0	1	GEAF	
C=C(NC(C)=O)c1nc2ccc(S(=O)(=O)Nc3ccccc3OC)cc2[nH]1	587203298	KQMCUYXVENYQSB-UHFFFAOYSA-N	386.433	2.479	0	1	GEAF	
CCOC(=O)c1nocc1[C@@]1(C2CC2)NCCc2ccc(C(=O)N(C)C)cc21	962927957	GBEZGXWDKQVYMT-NRFANRHFSA-N	383.448	2.352	0	1	GEAF	
CS(=O)(=O)C[C@@]1(c2ccc(Cl)cc2)NCCc2c(C(=O)O)cccc21	963121608	KCNUEIRCMXYSPH-SFHVURJKSA-N	379.865	2.472	0	1	GEAF	
CC[C@@H](C)NC(=O)c1cc([C@]2(C)N[C@H](C(=O)O)Cc3ccc(O)c(C)c32)c[nH]1	963524243	KNCSWXLBSVEOAV-DBLBYYFGSA-N	385.464	2.419	0	1	GEAF	
Cc1ccc([C@@H]2C3=C(COC3=O)Nc3c2c(O)nc(=O)n3CC(F)(F)F)cc1	1772632801	JNPLKPXUKXLWKV-LLVKDONJSA-N	393.321	2.188	0	1	GEAF	
CC(=O)N1N=C(c2ccc(F)cc2)C[C@@H]1c1cccc(OS(N)(=O)=O)c1	1857604999	DAJVBQRSVSECJK-QGZVFWFLSA-N	377.397	2.106	0	1	GEAF	
Cc1cc2c(nc1N1CCC(Oc3cnc4n[nH]c(C)c4c3)CC1)CNC2=O	1857761224	PKSZPAWDGIHPNX-UHFFFAOYSA-N	378.436	2.261	0	1	GEAF	
CCc1ccc2c(c1)N1C(=O)C[C@H]3OCC=C4CN(C)CC[C@@]25C(=O)C[C@H]4[C@H]3[C@H]15	2356604354	YVZSCHMJJIWFCR-DODULRCFSA-N	392.499	2.472	0	1	GEAF	
CC(C)c1nc(CNC(=O)C[C@@H]2C(=O)NCCN2Cc2ccccc2)cs1	12744160	ZGYGMHILBMKOIU-QGZVFWFLSA-N	386.521	2.273	0	3	GEAF	
CC(C)Nc1ncnc2c1ncn2[C@H]1CN(Cc2cccs2)C[C@@H](CO)O1	61928320	FIKZHMABKGWRFG-DZGCQCFKSA-N	388.497	2.100	0	3	GEAF	
O=C(Cn1ncc2c(=O)oc3ccccc3c21)N1CCN(c2ccccc2)CC1	4919199	PQGPPRAFLDQRTL-UHFFFAOYSA-N	388.427	2.492	0	1	GEAF	
COc1cccc(C(=O)N[C@@H]2[C@H](c3ccc(C(F)(F)F)nc3)C[C@@H](O)[C@@H]2O)c1	2356286777	QCQYXQPWLPROQU-ABFRBSLYSA-N	396.365	2.117	0	1	GEAF	
CS(=O)(=O)N1C[C@@H]2[C@@H](c3ccc(Br)cc3)[C@H](C1)N2CC1CC1	100085985	BSKWVMRVUJWVJI-MUJYYYPQSA-N	385.327	2.271	0	1	GEAF	
CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NC[C@@H]1CCc2nc(N)sc2C1	103278168	QKXWPQGVSJQBDG-YPMHNXCESA-N	380.514	2.346	0	1	GEAF	
CCOCCCNC(=O)CN1[C@@H]2CC[C@@H]1CC(O)(c1ccc(OC)cc1)C2	100982679	DIAVWUQFNLVZPY-QZTJIDSGSA-N	376.497	2.052	0	1	GEAF	
CCCC[C@H](N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(=O)O	29340399	SFSPBYKWGITRFL-BZSNNMDCSA-N	392.496	2.446	0	1	GEAF	
Cc1cccnc1CNC[C@@H]1COCc2nc3cc(S(C)(=O)=O)ccc3n21	2356509954	HXMXKLQMJHVJLO-CQSZACIVSA-N	386.477	2.004	0	1	GEAF	
Cc1ccc(S(=O)(=O)NC(=O)[C@@]2(C)CCN2C(=O)Cc2cccs2)cc1	61905845	LGIYYWYVIGCEGH-GOSISDBHSA-N	392.502	2.095	0	3	GEAF	
FC(F)(F)Oc1cccc(-n2nnc3ccc(N4C[C@H]5CNC[C@@H]5C4)nc32)c1	73387217	ZOSLTFMNLPTPHD-VXGBXAGGSA-N	390.369	2.370	0	1	GEAF	
CCn1cc([C@@]2(c3ccc(F)c(-c4cccnc4F)c3)N=C(N)N(C)C2=O)cn1	34803605	XLKFXPAKZSTNHX-HXUWFJFHSA-N	396.401	2.274	0	1	GEAF	
CN1CCc2cc3c(cc2[C@@H]1[C@H](O)c1ccc2c(c1C(=O)O)OCO2)OCO3	13376847	WUOGMWBLNQGZRV-QZTJIDSGSA-N	385.372	2.105	0	1	GEAF	biogenic
COc1cc(C(=O)[C@@H](CO)c2cc(OC)c(O)c(OC)c2)cc(OC)c1O	14720507	PPFDYHVRBZKXGB-LBPRGKRZSA-N	378.377	2.091	0	1	GEAF	biogenic
CC(C)C1=C(CNC(=O)C[C@@H]2C(=O)N[C@H](c3ccccn3)N[C@@H]2C)CCCO1	618014343	UXDSPIAJNVVUIW-PTSWNOGYSA-N	386.496	2.031	0	1	GEAF	
CC(=O)c1ccc2nc(CNC(=O)CNC(=O)OCc3ccccc3)[nH]c2c1	587227266	KAYNTQOWGYAXMB-UHFFFAOYSA-N	380.404	2.308	0	1	GEAF	
CCCCCn1c(=O)n(CC(=O)NC(C)(C)C)c(=O)c2cccc(OC)c21	1772620209	HXXKGVKMFSLHLJ-UHFFFAOYSA-N	375.469	2.277	0	1	GEAF	
CC(C)OC(=O)[C@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OC(C)C)[C@H]1c1cccnc1	13116498	OYCVZZUSJGVKGK-BOSXTWCSSA-N	377.437	2.025	0	1	GEAF	
CCOC(=O)[C@@]1(C)N[C@H](c2ccco2)[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21	169293926	LYSRIABXKOSRJF-LHUKNYEISA-N	382.416	2.360	0	1	GEAF	
Cc1nc([C@@H]2CCOC2)c2c(N3CCc4c(c(C5CC5)nn4C)C3)ncnn12	169711814	WNKHBWGVHGBSCB-CQSZACIVSA-N	379.468	2.110	0	1	GEAF	
O=C(NN1C(=O)[C@H]2[C@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C1=O)c1cccc(Br)c1	2302524	IYWDNVOMIGEONH-VWLPUNTISA-N	387.233	2.147	0	1	GEAF	
Cn1c(=O)c2c(nc3n2CCCN3Cc2ccc(C(C)(C)C)cc2)n(C)c1=O	1857608250	ZEWHDSKODOORKA-UHFFFAOYSA-N	381.480	2.142	0	1	GEAF	
O=C(Nc1ccccc1)N[C@@H]1CO[C@@H]2[C@H](OC(=O)NC3CCCCC3)CO[C@@H]21	2356321349	IIGRHNPQMJIXBL-BRSBDYLESA-N	389.452	2.402	0	1	GEAF	
O=C(CN(C(=O)c1ccc2c(c1)OCCO2)c1ccccc1)NC[C@@H]1CCCO1	4388419	JNZUISGJZMAUJN-SFHVURJKSA-N	396.443	2.400	0	3	GEAF	
COC(=O)c1ccc(Cl)c(C(=O)Nc2cc3cnc(OC)nc3[nH]c2=O)c1	103250287	LKIALHRKZQTCAU-UHFFFAOYSA-N	388.767	2.019	0	1	GEAF	
COc1ccccc1OC[C@H](O)CN1CCC2(CC1)CN(C(C)C)C(=O)O2	28759818	WXINZISFHVSNEM-MRXNPFEDSA-N	378.469	2.130	0	1	GEAF	
NC[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ncnc3[nH]ccc23)CC1	58649914	IYQSFRNHWXBIKV-HNNXBMFYSA-N	398.898	2.078	0	1	GEAF	in-vitro
CN(CCN(C)c1ccccc1)C[C@@H](O)COc1ccc2[nH]c(=O)ccc2c1	27110036	TZWMYWKHPKRONH-LJQANCHMSA-N	381.476	2.336	0	1	GEAF	
CCn1cc([C@@]2(c3cccc(-c4cccnc4F)c3)N=C(N)N(C)C2=O)cn1	72182337	IKJXVRPWMOVIMY-HXUWFJFHSA-N	378.411	2.134	0	1	GEAF	
COc1ccc(Cc2cc([C@@H]3O[C@H](C)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)cc1	43103695	QHMILJNQOZINGP-FJITVDBRSA-N	378.852	2.482	0	1	GEAF	
COc1ccc(CNc2nc(N3CCNCC3)nc3c2ncn3C(C)C)cc1	95601075	SAGRCCFEASGFDM-UHFFFAOYSA-N	381.484	2.438	0	1	GEAF	
C[C@H]1CC(=O)N([C@H](C)C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1=O	653780484	NOTXGHKIODSVCM-QWHCGFSZSA-N	397.397	2.138	0	1	GEAF	
COc1cc2c3c(c1)O[C@H](c1ccc(CN(C)S(C)(=O)=O)o1)[C@@H](C2)C3=O	587449578	PPZXURXBOWNSAH-UGSOOPFHSA-N	377.418	2.168	0	1	GEAF	
CCc1c(C(=O)C(N)=O)c2c(OCC(=O)O)cccc2n1C(=O)c1ccccc1	13445796	JMDSAENGCRNKCV-UHFFFAOYSA-N	394.383	2.024	0	1	GEAF	
CCN(CC)C(=O)c1[nH]cnc1C(=O)N[C@@H](CC(C)C)C(=O)OC(C)(C)C	13657116	UOUUYGBXUNRKFU-ZDUSSCGKSA-N	380.489	2.378	0	3	GEAF	
Cc1ncccc1OC[C@H]1CN(CC(=O)N2c3ccccc3C[C@@H]2C)CCO1	222445621	COXVGVOSFMXIOC-QFBILLFUSA-N	381.476	2.447	0	1	GEAF	
COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C)CC31CCN(C(=O)C2CC2)CC1	95796129	YIFXTKLKXJVQNO-SFHVURJKSA-N	383.492	2.426	0	1	GEAF	
CC(C)c1cn(CC[C@@H]2CC[C@@H](NC(=O)C3CCCCC3)[C@@H](CO)O2)nn1	95904421	IVOJAZGHNQZOGY-YQVWRLOYSA-N	378.517	2.397	0	3	GEAF	
C[C@]12CC[C@@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1CC[C@@H]2NC(=O)[C@@H](N)CO	263591549	QPFKAJPAZADUGH-WCIHBQEOSA-N	376.541	2.115	0	3	GEAF	
Cc1cc(-c2n[nH]c3cc(NC(=O)NC[C@@H](O)C(F)(F)F)ncc23)ccn1	261169844	SSIQLEVRNKYBLP-GFCCVEGCSA-N	380.330	2.373	0	1	GEAF	
CC(C)(C)OC(=O)NCc1nc(-c2nc3c(O)nc(S)nc3[nH]2)cs1	587014541	SLDHLUNKGAIBRV-UHFFFAOYSA-N	380.455	2.495	0	1	GEAF	
O=C(NC[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)C1CCOCC1	587567985	AXKWOICYYKFQEO-ZWKOTPCHSA-N	383.400	2.265	0	1	GEAF	
CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3cnc(C(=O)OC)cc3[nH]2)cc1	586938006	IGWIZTFWSVDBFI-NSHDSACASA-N	388.449	2.488	0	1	GEAF	
Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2ccc(CO)cc2[nH]1	587128253	KWZSPMCYYMMUHE-UHFFFAOYSA-N	391.353	2.479	0	1	GEAF	
CCOC(=O)[C@H](NC(C)=O)[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	587568757	DKRHUYPHHHSPQP-NBHGPNQESA-N	399.399	2.180	0	1	GEAF	
CS(=O)(=O)N1CCC([C@H](O)c2cncnc2Nc2ccc(F)cc2)CC1	1772570425	IAYSRSZRQAAKQV-INIZCTEOSA-N	380.445	2.064	0	1	GEAF	
CN(C(=O)C1CCN(c2cnccc2-n2cc(Cl)cn2)CC1)[C@H]1CCOC1	1857617947	UILLLRHSHNNGLR-INIZCTEOSA-N	389.887	2.384	0	1	GEAF	
C[C@H]1CN(Cc2ccc(-c3ccccc3)cc2)C(=O)C(C(=O)NCC(=O)O)=C1O	1857637297	VAOZDISNUYLWIK-AWEZNQCLSA-N	394.427	2.345	0	1	GEAF	
CCN(CC)S(=O)(=O)N[C@H]1C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1	4215916	YHEIHLVIKSTGJE-YXJHDRRASA-N	376.526	2.057	0	1	GEAF	in-man
C[C@H](N)[C@H]1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C1	9133162	UBOWFNLNGQTYJB-UWVGGRQHSA-N	377.391	2.486	0	1	GEAF	
COc1ccc(-c2ccc3c(c2)C(=O)N2CC[C@H](N)C[C@H]2C(=O)N3)c(OC)c1	12604820	UNLLGWVTBKBGJY-UGSOOPFHSA-N	381.432	2.255	0	1	GEAF	biogenic
Cc1c(C)c2c(c(C)c1O)[C@H](C(=O)OCCN1CCN(C)CC1)C(C)(C)O2	22934315	JLSRJTSXUZBNEX-QGZVFWFLSA-N	376.497	2.363	0	1	GEAF	
CC(=O)S[C@H](CC(=O)N1CCC[C@@H]1C(=O)O)C(=O)c1ccc2c(c1)CCC2	27314510	WHCYDTKPNWWNJB-IAGOWNOFSA-N	389.473	2.472	0	1	GEAF	
COc1c(O)cc2c(c1OC)-c1cc3c(cc1C(=O)[C@H]1COC(=O)[C@@H]1C2)OCO3	40955433	WMYDPBCWNFPYSF-OLZOCXBDSA-N	398.367	2.333	0	1	GEAF	biogenic
CS(=O)(=O)c1ccc(Cn2cc(C(=O)O)c(=O)c3c(F)ccc(F)c32)cc1	45355609	DYVKTWJCKXFREQ-UHFFFAOYSA-N	393.367	2.430	0	1	GEAF	
CC1(C)N2Cc3ccccc3C[C@H]2C(=O)N1[C@@H](Cc1ccc(O)cc1)C(=O)O	66263452	HHPVLRJGIHZSBK-OALUTQOASA-N	380.444	2.393	0	1	GEAF	
Cc1ccnc(C2CN([C@H](C)c3nc4c(cnn4C4CCCC4)c(=O)[nH]3)C2)n1	116981239	VFQBJSVQLWNMPH-CYBMUJFWSA-N	379.468	2.494	0	1	GEAF	
O=C1CN(c2ccc(Cl)cc2)CCN1C[C@@H](O)CN1CCc2ccccc2C1	209694432	JICPZAXECVIGNV-NRFANRHFSA-N	399.922	2.408	0	1	GEAF	
Cc1cccc2c1B(O)O[C@H](c1ccc(C(=N)N)c(OCc3cccnc3)c1)C2	1857560623	ATSZLVKWSVRBLA-IBGZPJMESA-N	387.248	2.255	0	1	GEAF	
C[C@H](OCc1ccccc1)[C@@H]1NC(=O)[C@H]([C@H](C)OCc2ccccc2)NC1=O	1857599142	TXQSDLJZBRRPJC-FVCZOJIISA-N	382.460	2.180	0	1	GEAF	
CC(=O)O[C@@H]1[C@H](O)[C@](C)(O)[C@](C)(C=CC2=CC(=O)OC2)[C@@H]2CCC=C(C)[C@@]12C	2356620215	KEQCMXAVBMZXAI-LOPMBQHNSA-N	390.476	2.452	0	1	GEAF	
COc1cccc(CNC(=O)CCS(=O)(=O)c2cccc3nsnc23)c1	3665195	UEVAGKKAQPCPCD-UHFFFAOYSA-N	391.474	2.180	0	3	GEAF	
O=C(C(=O)N1CCN(C(=O)c2ccccc2)CC1)c1c[nH]c2ccc(F)cc12	3591484	OXTPRTIEPINELH-UHFFFAOYSA-N	379.391	2.474	0	1	GEAF	
COc1ccc(-c2nc3cnc(N4CCOCC4)nc3n(C3CC3)c2=O)cc1	4238613	DIQKHYUNXWUZJN-UHFFFAOYSA-N	379.420	2.034	0	1	GEAF	
Cc1ccc(C)n1-c1nnc(N2CCC[C@H](C(=O)N3CCOCC3)C2)s1	6806130	PXYTYHZGXDXMGG-HNNXBMFYSA-N	375.498	2.021	0	1	GEAF	
COc1cccc(N(C)CCOc2ccc(C[C@H]3SC(=O)NC3=O)cc2)n1	27319607	IKRUMJKGZUAHGQ-OAHLLOKOSA-N	387.461	2.500	0	1	GEAF	
COc1cc(Cc2cnc(N)nc2N)cc2c1N(CCOC(C)=O)CC[C@H]2C	29560188	MMPFYSRMKOTYDR-GFCCVEGCSA-N	385.468	2.117	0	1	GEAF	
CCCN(CCC)c1cc(C(=O)Nc2ccc(S(N)(=O)=O)cc2C)ncn1	49525591	MHHFJYABEVJNEG-UHFFFAOYSA-N	391.497	2.311	0	1	GEAF	
CC(C)NC(=O)N1[C@H](CO)[C@@H](c2ccccc2)[C@H]1CN(C)C(=O)c1cccnc1	95894973	GJAZMKMKHGOQQI-AQNXPRMDSA-N	396.491	2.101	0	1	GEAF	
CS(=O)(=O)N1C[C@@H]2[C@H](c3ccc(Br)cc3)[C@H](C1)N2CC1CC1	100087033	BSKWVMRVUJWVJI-ZSHCYNCHSA-N	385.327	2.271	0	1	GEAF	
CN1C[C@H](NC(=O)c2cc(Cc3ccccc3)on2)C(=O)N(C)c2ccccc21	1772601133	AEBVXDRUAUWPIF-SFHVURJKSA-N	390.443	2.477	0	1	GEAF	
Cc1cnn(-c2ccncc2N2CCC(C(=O)N(C)C3CCOCC3)CC2)c1	1857576823	PQMGAJQTMKNALV-UHFFFAOYSA-N	383.496	2.430	0	1	GEAF	
CC(=O)O[C@@H]1[C@@]2(C)C=C[C@@]13[C@H](O)C[C@H]1[C@](C)(CC[C@@H](O)[C@@]1(C)CO)[C@H]3CC2	2356461021	SDTBVAOPLRNVMA-BHRFEDCRSA-N	378.509	2.431	0	1	GEAF	
O[C@H]1[C@H](n2cc(-c3ccccc3)cn2)[C@H]2OC[C@@H](O2)[C@@H]1NCc1cccs1	2356579755	IXUFTSMELUWOJN-CXQPBAHBSA-N	383.473	2.427	0	1	GEAF	
C[C@H](C(=O)N1CCOCC1)[C@@H]1CC[C@]2(C)Cc3sc(=N)[nH]c3[C@H](C)[C@H]2[C@@H]1O	2356849391	PVYVZTFGACOSGT-IJJFJUKRSA-N	393.553	2.104	0	1	GEAF	
CCOCCCNC(=O)[C@H]1c2cc(OC)c(OC)cc2C(=O)N2CCCC[C@H]12	4563938	ASGQLHRVGCFUGN-APWZRJJASA-N	390.480	2.339	0	3	GEAF	
COc1ccc(CN(C(C)=O)[C@@H](C(C)=O)C(=O)NC2CCCCC2)c(OC)c1	205861352	KKGYSOTXJIMSER-FQEVSTJZSA-N	390.480	2.459	0	3	GEAF	
C/C=C/c1ccc2n(c1=O)C[C@H]1[C@@H]2N(CCC)[C@@H](C(=O)NC2CCCC2)[C@@H]1CO	100104873	GBLJTPMJUGLXKL-IVAVVPHDSA-N	399.535	2.314	0	1	GEAF	
COc1ccc([C@H](O)[C@@H]2CO[C@H](c3ccc4c(c3)OCO4)[C@H]2CO)cc1OC	2356519509	FJXKIGDEXMHOCZ-XSRQCEPYSA-N	388.416	2.462	0	1	GEAF	
CN(C)CCN(C)CC[C@@H]1CN(C(=O)c2cccs2)CC[C@H]1CC(=O)O	2356823953	GQLMOIPNRBYALA-JKSUJKDBSA-N	381.542	2.185	0	1	GEAF	
CS(=O)(=O)N1CC2(CCN(C(=O)Nc3cccnc3)CC2)c2ccccc21	45286411	ONNPWTVADLJTSX-UHFFFAOYSA-N	386.477	2.427	0	1	GEAF	
Nc1cnc(-c2ccc(C3CCC3)c(OC[C@@H](O)Cn3nccn3)c2F)cn1	224552262	WCIZEPVQMMHYJI-ZDUSSCGKSA-N	384.415	2.164	0	1	GEAF	
CO[C@H](C)[C@H]1[C@@H]2C[C@H]3C4=Nc5ccccc5[C@]45C[C@@H]([C@H]2[C@H]5OC(C)=O)N3[C@@H]1O	49019503	XHABFDBTVXEZFH-ASMGYPJESA-N	382.460	2.018	0	1	GEAF	
COc1ccc(OC)c(CCNc2nc(N3CCC[C@@H](C(N)=O)C3)ncc2C)c1	82204334	WQWINPLVRRUCEX-MRXNPFEDSA-N	399.495	2.159	0	1	GEAF	
Cn1nccc1-c1cc2c(N[C@@H]3CC[C@](C)(O)C3(C)C)c(C(N)=O)cnn2c1	146042546	RXPSHRJIOZEJRY-UZLBHIALSA-N	382.468	2.185	0	1	GEAF	
N[C@@H]1NC=Nc2c(CN3C[C@H](O)[C@H](CSc4ccc(Cl)cc4)C3)c[nH]c21	261186331	XOHKNCJZSMLXPF-XLWVJDPXSA-N	391.928	2.473	0	1	GEAF	
C[C@H]1CN(c2c(F)cc3c(=O)c(C(=O)O)cn([C@@H]4C[C@H]4F)c3c2F)CCN1	299809938	ZKANFWGDCSTQRW-RLCGTCKNSA-N	381.354	2.059	0	1	GEAF	
COC(=O)c1cccc2nc(COc3ccc(S(=O)(=O)N(C)C)cc3)[nH]c12	586931576	FYLMRHTVXQSHKS-UHFFFAOYSA-N	389.433	2.179	0	1	GEAF	
COc1nccc2[nH]c(-c3ccc(S(=O)(=O)NC[C@H]4CCCO4)cc3)nc12	586946350	KRVBKZDNDCPEMA-CYBMUJFWSA-N	388.449	2.091	0	1	GEAF	
NS(=O)(=O)c1ccc2nc(-c3nc(Cl)cnc3Br)[nH]c2c1	587005402	HQANNYGRUVKRRF-UHFFFAOYSA-N	388.634	2.083	0	1	GEAF	
O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1cccc(N[C@H]2CCOC2)c1	1772616201	BLUQQDAYDFHJCP-VXKWHMMOSA-N	395.503	2.036	0	1	GEAF	
CCNC[C@@H]1CCN(c2c(F)c(N)c3c(=O)c(C(=O)O)cn(CC)c3c2F)C1	13649644	SLMOCLOHSULBSH-JTQLQIEISA-N	394.422	2.016	0	1	GEAF	
Cc1c2c(c(CNC(=O)CN(C)C)c3c1[nH]c1ccccc13)C(=O)N(C)C2=O	14945864	DZAOORXVGLIAMC-UHFFFAOYSA-N	378.432	2.033	0	1	GEAF	
O=C(C[C@H]1C/C=C\CCC(=O)OCCNC1=O)NCc1ccc(Cl)cc1	169321545	PIGMXBSUAPIWMM-DJYNDVHFSA-N	378.856	2.362	0	1	GEAF	
Oc1ccc2c3c1O[C@H]1c4ncccc4C[C@@]4(O)[C@H](C2)N(CC2CC2)CC[C@@]314	169351375	UUKFYSADJMUSTK-AIZKBTNYSA-N	376.456	2.486	0	1	GEAF	
C[C@H]1CN(Cc2ccccc2)C[C@@H]1c1nc(=O)c2cnc(C3=CCOCC3)n2[nH]1	205431482	KZOJNVNGLJDSCN-YJBOKZPZSA-N	391.475	2.457	0	1	GEAF	
CC(C)C[C@H](NC(=O)c1ccc(N2CCC[C@@H]2C)c(OCC2CC2)n1)C(N)=O	207728381	VNWISLWPGGGFRQ-YOEHRIQHSA-N	388.512	2.489	0	1	GEAF	
CCN(C[C@@H]1CC(c2ccccc2)(c2ccccc2)C(=O)O1)C(=O)C(=O)OC	6384928	ZWRFAWMDTDCJEH-SFHVURJKSA-N	381.428	2.310	0	1	GEAF	
CN1CN(C(=O)[C@H]2CCN(c3ccc(Cl)c(C(F)(F)F)c3)C2)CC1=O	1911576076	IJTMEZNUWLCZCT-JTQLQIEISA-N	375.778	2.443	0	1	GEAF	
Cc1c(C(=O)NCc2ccc(Br)cc2)[n+]([O-])c2ccccc2[n+]1[O-]	102238005	UONBMQFARJRSGS-UHFFFAOYSA-N	388.221	2.108	0	1	GEAF	
CCC(C)=CC(=O)O[C@H]1CC(C(=O)OC)=C[C@@H](OC(=O)C=C(C)CC)[C@H]1O	2356606124	DNOICGYKMBYMBW-JTDSTZFVSA-N	380.437	2.387	0	1	GEAF	
Cc1ccc(F)c(S(=O)(=O)NC(=O)[C@@]2(C)CCN2C(=O)c2ccccc2)c1	61926823	GXBCICMZIFIPRZ-LJQANCHMSA-N	390.436	2.244	0	3	GEAF	
CC(=O)Nn1c(S)nnc1Cc1c(NCCC(=O)O)sc2c1CCCC2	72175461	CGDONUPSODBGTG-UHFFFAOYSA-N	395.510	2.075	0	1	GEAF	
COc1c(C)cnc(CN2CC(=O)N(C(C)C)c3c(Cl)nc(N)nc32)c1C	43021675	UAPLXNNDFPWRMK-UHFFFAOYSA-N	390.875	2.494	0	1	GEAF	
C[C@@H](NC(=O)c1csc(-c2ccc(Cl)cc2)n1)C(=O)N1CCNCC1	82083304	ZTHSEHIXSAVEKJ-LLVKDONJSA-N	378.885	2.014	0	1	GEAF	
C[C@]12C[C@@H](O)[C@H](O)CC1=CC[C@@H]1C(=O)O[C@@H]3CO[C@]4(C)OC=C(CC[C@@H]12)[C@H]34	238757968	ULXVHDBQEPWLDR-RSWOKULTSA-N	376.449	2.053	0	1	GEAF	
CCCNC(=O)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2CC1CCOCC1	95793934	QMUJEDHAYZDYPI-UXHICEINSA-N	387.524	2.047	0	1	GEAF	
CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cncc(OC)c2[nH]1	586964911	GFPPVZSSCKUSMS-UHFFFAOYSA-N	384.469	2.423	0	1	GEAF	
CCCCNS(=O)(=O)c1ccc2nc(-c3cnc(N(C)C)nc3C)[nH]c2c1	587195882	MPPIVQGCPUFODG-UHFFFAOYSA-N	388.497	2.473	0	1	GEAF	
O=S(=O)(Nc1nccs1)c1cc(Cl)c(NCC2CNC2)cc1F	1772627504	UJNZKASOHZSXKG-UHFFFAOYSA-N	376.866	2.368	0	1	GEAF	
Cc1ccc(C(=O)N2CCn3c(nnc3C(=O)NC3CCCCC3)C2)cc1F	205217669	OSKYBPYZUPYDJM-UHFFFAOYSA-N	385.443	2.444	0	3	GEAF	
NCc1cc(OCc2cccc(C(=O)N3CCc4cccnc4C3)c2)ncn1	1857539683	LZFGXWMGXAAMCG-UHFFFAOYSA-N	375.432	2.108	0	1	GEAF	
COC(=O)CS[C@@H]1CC(=O)O[C@@H](C)CCCC=C[C@@H]2C[C@H](O)C[C@H]2[C@@H]1O	253635106	BSGIUTTTZQKLQE-MXRIDLRBSA-N	386.510	2.071	0	1	GEAF	
NS(=O)(=O)c1ccc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)c(F)c1	13835314	KNQWYXQXPFOTAL-UHFFFAOYSA-N	384.257	2.421	0	1	GEAF	
CCc1nc2n(c1C(=O)NN1CCOCC1)CCN2c1c(C)cc(C)cc1C	28345312	IXTDCAHBZYYLGO-UHFFFAOYSA-N	383.496	2.499	0	1	GEAF	
Cc1ccc(Cn2cc(CNC(=O)[C@@H]3COC(c4ccccc4)=N3)nn2)cc1	49066960	DAZKYTGPCSHKAY-IBGZPJMESA-N	375.432	2.097	0	1	GEAF	
CCc1ccc(Cc2sc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(C)c2C)cc1	72118214	TWEWMTALRDAMPI-XIKSMUEASA-N	392.517	2.033	0	1	GEAF	
COc1cccc(CN2Cc3cc(OC)c(OS(N)(=O)=O)cc3C[C@H]2C)c1	84712085	XBYPYYJZAJXDOK-CYBMUJFWSA-N	392.477	2.233	0	1	GEAF	
C[C@@H](Oc1nnc(-c2cn[nH]c(=O)c2)n1C)c1noc(-c2cccc(Cl)c2)n1	143032842	QKTWXIVEHVZYMX-SECBINFHSA-N	399.798	2.409	0	1	GEAF	
NC(=O)C12CC3C[C@@H](C1)C(OC(=O)N1CC[C@H](c4ncc(F)cn4)C1)[C@@H](C3)C2	147323020	RFSWXYIRJUDJPJ-LIRNVAFCSA-N	388.443	2.222	0	1	GEAF	
COCCOc1ccc2[nH]nc(-c3cc(N4CCN(C5CC5)CC4)ncn3)c2c1	225555841	RJJXHKIUIRSFQB-UHFFFAOYSA-N	394.479	2.330	0	1	GEAF	
COc1ccc(Nc2nc(N)n(C(=O)c3cc(OC)c(OC)c(OC)c3)n2)cc1	299830379	UXCVPZNUZBTQOO-UHFFFAOYSA-N	399.407	2.327	0	1	GEAF	
COc1cc2c3c(c1)O[C@H](c1cnc(Cl)nc1N1CCOCC1)[C@@H](C2)C3=O	587419482	FJLJCOFEWWOLFN-SJCJKPOMSA-N	387.823	2.464	0	1	GEAF	
COc1cccc(C)c1-c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1	587786785	MUFGQQOEDMBGLL-UHFFFAOYSA-N	394.475	2.297	0	1	GEAF	
CCOC(=O)C1=NN(c2ccccc2)C(=O)C[C@@]12NCCc1c(C)ccnc12	963078006	VWYSDRDMLWHPQA-NRFANRHFSA-N	378.432	2.087	0	1	GEAF	
O=C(O)c1cccc2c1CCN[C@H]2c1c(N2CCOCC2)nc2ccccn12	963129549	GYOWOCPLODDDEV-GOSISDBHSA-N	378.432	2.104	0	1	GEAF	
CCC(=O)[C@@H]1C(=O)OC(C)=C[C@@]12N[C@H](C(=O)O)Cc1c2cnc2ccccc12	963239557	XFPIKIJMECUWLU-CDXJDZJCSA-N	380.400	2.085	0	1	GEAF	
Cc1sc2ncnc(SCC(=O)N3CC(=O)N(C)C3)c2c1C(F)(F)F	1911573393	XAZNMZFFUQEEJU-UHFFFAOYSA-N	390.412	2.369	0	1	GEAF	
COc1ccccc1NC(=O)CNC(=O)Cn1c(C)cc2ccccc2c1=O	6725107	FHKDBVZBLDDJEU-UHFFFAOYSA-N	379.416	2.073	0	3	GEAF	
O=C(NCc1cc2ccccc2[nH]1)[C@@H]1CCC(=O)N(CCCN2CCCC2=O)C1	12441256	MQBWIJQOEJPXGP-QGZVFWFLSA-N	396.491	2.035	0	3	GEAF	
CCOC(=O)[C@H]1[C@H](NC(N)=O)N(Cc2ccccc2)C(=O)N1Cc1ccccc1	1625723	QUAHIQSUJSPESD-QZTJIDSGSA-N	396.447	2.051	0	1	GEAF	
COc1cc([C@H]2c3cc4c(cc3C(=O)[C@@H]3CCC(=O)N32)OCO4)cc(OC)c1O	1654645	DHAJSWSGIAPSOV-DJJJIMSYSA-N	397.383	2.415	0	1	GEAF	
COC(=O)C1=C(C(=O)OC)c2cc(OC)ccc2[C@@H](C(=S)N(C)C)S1	6426132	DEKUESWYQJAQCF-ZDUSSCGKSA-N	381.475	2.429	0	1	GEAF	
Nc1ncnc2c1ncn2CCOC[P@]1(=O)Nc2cccc(F)c2CO1	28527168	BXLGWHJTULIGEH-AREMUKBSSA-N	378.304	2.357	0	1	GEAF	
COc1cc(OC)cc(C(=O)N2CCC3(CC2)N=C(c2ccccc2)C(=O)N3)c1	20556367	CPMJOAKCHZPCPS-UHFFFAOYSA-N	393.443	2.255	0	1	GEAF	
C[C@@H](CN1CCN(c2ncccn2)CC1)NC(=O)C12CC3CC(CC(C3)C1)C2	27553935	VZUHPBSTYDQEJX-RMJOCGACSA-N	383.540	2.320	0	1	GEAF	
C/C=C1/CN2[C@@H]3C[C@@]45c6cc(OC)cc(OC)c6N[C@]4(O3)[C@@H]2C[C@@H]1[C@@H]5C(=O)OC	238745400	OCJLZJDDQJQQPJ-VQSJSNSBSA-N	398.459	2.263	0	1	GEAF	
CCCN1[C@@H]2c3ccc(-c4ccccc4)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)OC	95880271	NABBLOTWFSPZJS-IZBJGVDFSA-N	382.460	2.062	0	1	GEAF	
CC(C)C1=C(CNC(=O)C[C@@H]2C(=O)N[C@@H](c3ccccn3)N[C@@H]2C)CCCO1	618014342	UXDSPIAJNVVUIW-IIMJZQEZSA-N	386.496	2.031	0	1	GEAF	
COc1cc(CN=c2nn[nH][nH]2)cc(Cl)c1OCc1cccc(C(=O)O)c1	473150926	NLLMLNMMWZDMJF-UHFFFAOYSA-N	389.799	2.173	0	1	GEAF	
CC[C@H]1CN(CCNC(=O)[C@H]2CCCCN2C)Cc2cc(OC)ccc2O1	299847778	DJLLMTWBGSCXQF-PKOBYXMFSA-N	375.513	2.269	0	1	GEAF	
C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)C2(O)O	587820844	FXIJHQDUMKRFCB-HUTHGQBESA-N	392.224	2.243	0	1	GEAF	
Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2ccnc(O)c2[nH]1	586945705	KMIYHWTXVGHDEJ-LBPRGKRZSA-N	388.449	2.096	0	1	GEAF	
COC(=O)c1cc(Cl)c2[nH]c(CCc3ccc(S(N)(=O)=O)cc3)nc2c1	586929191	CAYPVJANFBRZKT-UHFFFAOYSA-N	393.852	2.436	0	1	GEAF	
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CC[C@@]4(CCNC4)C3)c(F)c21	5848112	NVVIXKGACSGLKH-LJQANCHMSA-N	377.391	2.188	0	1	GEAF	
CC(C)OC(=O)[C@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OC(C)C)[C@H]1c1cccc(O)c1	12661252	CAFOTFFMGDOWMH-NTLWEQJWSA-N	392.448	2.335	0	1	GEAF	
CC(=O)c1ccccc1OC(=O)CCN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C1=O	169300377	BTBBTBLGIFDWMW-DQTZRQEHSA-N	379.412	2.238	0	1	GEAF	
C[C@H](c1nc(=O)c2cnc(C3CCOCC3)n2[nH]1)N1CC(c2ccc(O)cc2)C1	205456124	URMMQAZEDQVFPP-CYBMUJFWSA-N	395.463	2.178	0	1	GEAF	
CCOC(=O)N1CCc2c(sc3[nH]c(=O)n(Cc4ccccc4)c(=O)c23)C1	2687454	QJGWYCMWDSRTJY-UHFFFAOYSA-N	385.445	2.314	0	1	GEAF	
O=C1c2cccnc2C(=O)N1Cc1ccc(S(=O)(=O)NC2CCCC2)s1	6942117	BVOCVRMCULDDLZ-UHFFFAOYSA-N	391.474	2.160	0	1	GEAF	
C[C@@]1(c2cccc(NC(=O)c3ncc(Br)cn3)c2)COCC(N)=N1	113657358	SDRFKEHYIFLRFI-INIZCTEOSA-N	390.241	2.094	0	1	GEAF	
O=C1CSc2cc(S(=O)(=O)N3CCN(c4ccccc4)CC3)ccc2N1	34145528	UICVUKJPAFRKDD-UHFFFAOYSA-N	389.502	2.242	0	1	GEAF	
Nc1nc(-n2cc(-c3ccccn3)cn2)nc(-n2cccn2)c1Br	217109641	YDJHMBNHVDULSX-UHFFFAOYSA-N	383.213	2.255	0	1	GEAF	
NC(=O)c1ccc2cccc(N(C(=O)C(=O)O)c3ccccc3C(=O)O)c2c1	43067962	POGQTAFCOTWLIJ-UHFFFAOYSA-N	378.340	2.386	0	1	GEAF	
Cc1cccc(OCC(=O)N2CCN(c3nc(N)nc4sccc34)CC2)c1	45371084	AHTPWLVXRNSTTK-UHFFFAOYSA-N	383.477	2.310	0	1	GEAF	
COc1ccc2c3c(n(C)c2c1)[C@H](CO)NCC31CN(C(=O)c2ccccc2)C1	95662792	QCTPHDZIKRMLIB-SFHVURJKSA-N	391.471	2.217	0	1	GEAF	
CC(C)NC(=O)NC[C@H]1[C@@H](c2ccccc2)[C@@H](CO)N1C(=O)c1ccccc1	95895673	UFHYJCTUNFGQLC-XUVXKRRUSA-N	381.476	2.363	0	1	GEAF	
CN(Cc1nc2ccccc2[nH]1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F	96927695	QBJJWKAKQOZRKD-FQEVSTJZSA-N	398.417	2.452	0	1	GEAF	
FC(F)(F)Oc1cccc(Nc2nnnc3ccc(N4CCNCC4)nc23)c1	653792886	IYYMXSVLKTWUDO-UHFFFAOYSA-N	391.357	2.472	0	1	GEAF	
Nc1nc(O)c2nc([C@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2n1	586984442	NGTUOPAFWOUNLD-LBPRGKRZSA-N	389.257	2.588	0	1	GEAF	
CCN(CC)S(=O)(=O)c1cccc(-c2nc3cc(C(=O)OC)ncc3[nH]2)c1	586931082	VFVJVJGWTAOFKL-UHFFFAOYSA-N	388.449	2.442	0	1	GEAF	
O=C(O)C1=C[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C(=O)CO1	587356105	IFANDZYMUIDFCR-YLJYHZDGSA-N	384.315	2.197	0	1	GEAF	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@H](C(=O)O)N(C(=O)OC(C)(C)C)C1)O2	587397272	ZDBTWYKTMLIBHY-YJYMSZOUSA-N	376.409	2.375	0	1	GEAF	
CCOC(=O)C(=O)C[C@]1(c2ccccc2)NCCc2ccc(C(=O)N(C)C)cc21	962931514	NUVAPHOQVYTLIW-HSZRJFAPSA-N	394.471	2.300	0	1	GEAF	
CCc1ccc([C@@H]2C[C@H](NC(=O)OC)CN(C(=O)N3CCOCC3)C2)cc1	150014986	UQEUDLUCJBFCMU-MSOLQXFVSA-N	375.469	2.215	0	1	GEAF	
Nc1ccccc1Cn1cc(CCCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)nn1	1772615386	XFZFNLMEHSESES-BZSNNMDCSA-N	386.525	2.177	0	1	GEAF	
COC(=O)CCC(=O)N1CCC(NC(=O)c2[nH]c(C)c(Cl)c2Cl)CC1	1772612237	WAGPBLKOAHQPMV-UHFFFAOYSA-N	390.267	2.304	0	1	GEAF	
COCCN1C(=O)C(=O)[C@H](C(=O)c2ccccc2)[C@@H]1c1cc(OC)ccc1OC	169687592	ICSLNJDFTGEPMX-OALUTQOASA-N	397.427	2.302	0	1	GEAF	
O=C1[C@@H](CO)OC2(CCN(CCc3ccccc3)CC2)CN1c1ccccc1	1857558843	QGQRUYNHBMRUGE-OAQYLSRUSA-N	380.488	2.488	0	1	GEAF	
NCc1ccc(-c2ccc(N3C[C@H](Cn4cc(CO)nn4)OC3=O)cc2F)cc1	1857759748	NCEDQMICEYLSSA-KRWDZBQOSA-N	397.410	2.061	0	1	GEAF	
Cn1cc(Br)c(C(=O)N2CCN(CCc3ccc(F)cc3)CC2)n1	58655456	WFDXGNUMPMZZOR-UHFFFAOYSA-N	395.276	2.322	0	1	GEAF	
COc1ccc(NC(=O)[C@@H]2C(=O)N(CCO)[C@@]3(C)C[C@H]2c2ccccc2O3)cc1	100855833	GAZFRBHNVWRJFX-LRXVAGHRSA-N	396.443	2.367	0	3	GEAF	
CCC[C@H]1C(=O)c2nc(CCCN3N=C(Cl)CCC3=O)[nH]c2N(C)C1=O	100034626	FWXVKFZRDWTOMD-JTQLQIEISA-N	379.848	2.092	0	1	GEAF	
CCOC(=O)c1noc2ncnc(N3CCN(c4cccc(OC)c4)CC3)c12	21539001	VLFZXXCLNAHOCR-UHFFFAOYSA-N	383.408	2.130	0	1	GEAF	
CNC(=O)c1ccccc1NC(=O)c1ccc2cc3n(c2c1)CCCNC3=O	117696969	YWCPCIWGIVYORW-UHFFFAOYSA-N	376.416	2.387	0	1	GEAF	
C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(SC(=S)N(C)c3ccccc3)[C@H](C)[C@H]12	29395485	CIOAWRGWMPENKW-FPQZTECRSA-N	392.502	2.295	0	1	GEAF	
Cc1cc(O)c([C@H](O)c2c(O)cccc2O)c2c1OC(C)(C)[C@H](O)COC2	2356850030	PZQTZTHNLXNNSJ-QAPCUYQASA-N	376.405	2.242	0	1	GEAF	
NC(=O)Nc1sc2c(c1C(N)=O)CCc1nn(Cc3ccc(F)cc3)cc1-2	66074581	UFLJYZRBLZAVIL-UHFFFAOYSA-N	385.424	2.487	0	1	GEAF	
CO[C@H]1CN(c2cc(-c3n[nH]c4cc(F)c(OC(C)C)cc34)ncn2)C[C@@H]1O	225554552	YBCGARFNIMYKQK-RDJZCZTQSA-N	387.415	2.142	0	1	GEAF	
CC(C)(C)c1nccc(-c2cnc(NC(=O)N3C[C@@H]4C[C@@H]4[C@H]3C(N)=O)s2)n1	261091038	DMOPXNHLKVNOOY-KWBADKCTSA-N	386.481	2.235	0	1	GEAF	
COc1cc2c3c(c1)O[C@@H](c1c(Cl)ncnc1N1CCOCC1)[C@@H](C2)C3=O	587420603	LFQSXCMJXRQYPE-YVEFUNNKSA-N	387.823	2.464	0	1	GEAF	
Cc1c[nH]c2c(Nc3nc(N[C@@H]4CCCC[C@@H]4N)nnc3C(N)=O)cccc12	205940866	ZQCMFOKWTLGGCL-QWHCGFSZSA-N	380.456	2.186	0	1	GEAF	
COc1ccc2c(CC(=O)N[C@H](Cc3ccccc3)C(=O)O)cc(=O)oc2c1	8210192	HWTVWAGOBQNPDI-QGZVFWFLSA-N	381.384	2.156	0	1	GEAF	biogenic
NC(=O)c1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1	13832036	DKQSFOJXTNEPGS-UHFFFAOYSA-N	377.444	2.370	0	1	GEAF	
CN1CCN(C(=O)CN2C(=O)c3cccnc3Oc3ccc(Cl)cc32)CC1	20532519	PXRTYSCGPOVMNN-UHFFFAOYSA-N	386.839	2.262	0	1	GEAF	
CN1CC(=O)N2[C@H](C[C@@H]3c4ccccc4N[C@H]3[C@H]2c2ccc3c(c2)OCO3)C1=O	22001370	ZUQFYMRCEZGBHF-BVIFKLCGSA-N	391.427	2.107	0	1	GEAF	
Cc1c(CCO)sc[n+]1Cc1ccc(C(=O)c2ccccc2C(=O)O)nc1	29126063	YCAKNQVIQPUHBT-UHFFFAOYSA-O	383.449	2.251	0	1	GEAF	
CC(C)CN(C)C(=O)c1cnc(N2CCC[C@@H](C(N)=O)C2)nc1-c1ccco1	82141931	NRFZYICPLCQFLP-CQSZACIVSA-N	385.468	2.166	0	1	GEAF	
O=C(CC1CC1)N1CC2(C1)[C@@H](c1ccccc1)[C@H](CO)N2C(=O)c1ccccn1	95667291	RLYKYPAHMRTYLA-FPOVZHCZSA-N	391.471	2.063	0	1	GEAF	
CNC[C@H]1Oc2ncc(-c3ccccc3F)cc2C(=O)N([C@@H](C)CO)C[C@H]1C	95733706	SHRVDEFCKQVYRH-BIENJYKASA-N	387.455	2.327	0	1	GEAF	
CC(=O)N1CC2(C1)[C@H](c1ccc(-c3ccc(F)cc3)cc1)[C@H](CO)N2C(C)=O	95794145	ZKEDJFSNOIYPIT-LEWJYISDSA-N	382.435	2.400	0	1	GEAF	
CCc1nc(C(=O)Nc2ccc(F)c([C@]3(C(F)F)COCC(N)=N3)c2)co1	113658854	UEOXQEPMCSIOKT-KRWDZBQOSA-N	382.342	2.476	0	1	GEAF	
Cc1ccc(NC(=O)[C@@H]2[C@@H]3C=C[C@@]4(CN(Cc5cccnc5)C(=O)[C@@H]24)O3)cc1	169364466	KKELNQXQWMMKDJ-JYLXEMOASA-N	375.428	2.311	0	1	GEAF	
O=C(O)c1ccc2nc(-c3ccccc3)c(N3CCS(=O)(=O)CC3)nc2c1	205484562	SDBANTREAUZDAU-UHFFFAOYSA-N	383.429	2.230	0	1	GEAF	
O=C(N[C@H](CO)[C@H](O)c1ccccc1)[C@H]1C[C@@H](CCc2ccccc2)CCN1	218773090	OYFXGWIHIKYQFV-BDKRGJGYSA-N	382.504	2.198	0	1	GEAF	
NC(=O)CNS(=O)(=O)c1cccc(-c2nc3cccc(C(F)(F)F)c3[nH]2)c1	586936006	LXFGICMZXVFPFX-UHFFFAOYSA-N	398.366	2.012	0	1	GEAF	
CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2c(O)ncnc2[nH]1	586936682	JNNAVFDNCJIXBD-LLVKDONJSA-N	381.845	2.388	0	1	GEAF	
Nc1nccnc1C(=O)NN1C(=O)CS[C@@H]1c1ccc(Cl)cc1Cl	653918425	BGXXVJSJIVSDRC-CQSZACIVSA-N	384.248	2.285	0	1	GEAF	
C[C@H]1C[C@H]2CSC(=N)N[C@@]2(c2nc(NC(=O)c3cnn(C)c3)cs2)CO1	1772644869	FLSYKADZRPHBBY-QEKSWQHZSA-N	392.510	2.020	0	1	GEAF	
CCC(=O)O[C@@H]1[C@H](OC(C)=O)C=C(C(=O)OC)C[C@H]1OC(=O)C[C@H](C)CC	2356506031	YFKOHXYZUOKJHH-XKLVTHTNSA-N	384.425	2.091	0	1	GEAF	
CC(=O)NCCC1CCN(C(=O)c2cc(COc3ccc(C)nc3)on2)CC1	11665327	YCDKNIXZOKKKDO-UHFFFAOYSA-N	386.452	2.335	0	3	GEAF	
CCN1C(SCC(=O)NC[C@H]2CCCO2)=NN/C1=C1\C=Nc2ccccc21	104013193	WFYLBUSRXXTTTJ-ZLMULJHYSA-N	385.493	2.296	0	3	GEAF	
O=C(O)C[C@@H](NC(=O)CCCCc1ccc2c(n1)NCCC2)c1cncnc1	13558967	YVWHUWDPZJFVCO-QGZVFWFLSA-N	383.452	2.275	0	1	GEAF	
Cc1cc(O)cc(C)c1C[C@@H](CN)C(=O)N1Cc2ccccc2C[C@H]1C(=O)O	13802619	HVZIFQGIVOWFPA-PXNSSMCTSA-N	382.460	2.165	0	1	GEAF	
CC(=O)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)c2n3[C@@H](C)S2)CC1	27524608	USEJRFJWOAADSD-SNVBAGLBSA-N	391.424	2.132	0	1	GEAF	
OC[C@@H](O)CNc1c(Br)cccc1Nc1ncnc2ccncc12	29133494	CQIDHXOFSYZJNX-JTQLQIEISA-N	390.241	2.296	0	1	GEAF	
COC[C@@H](NC(C)=O)C(=O)NCc1ccc(COCc2cccc(F)c2)cc1	49088590	XEHISWRJQUGZIQ-HXUWFJFHSA-N	388.439	2.310	0	1	GEAF	
O=C(Cn1sc2ccccc2c1=O)NCc1cn(Cc2ccccc2)nn1	73224608	JIRJPBQISFRVAS-UHFFFAOYSA-N	379.445	2.019	0	1	GEAF	
C/C=C/c1ccc2c(c1)O[C@@H](CN(C)C)[C@H](C)CN([C@H](C)CO)S2(=O)=O	95711453	KDXLDHVMUOGHJB-LFTWUBEQSA-N	382.526	2.050	0	1	GEAF	
O=C(O)/C=C\C(=O)N1CCc2ccccc2[C@H]1CN1C(=O)c2ccccc2C1=O	95872206	MCLSARXQUOZHDY-HJCTWCACSA-N	390.395	2.049	0	1	GEAF	
C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)OC)N(Cc3ccccc3)[C@@H]21	100140596	JRLZRAHNQFNINE-TVSFODMISA-N	394.471	2.218	0	1	GEAF	
CC[C@@H](C)[C@@H]1NC(=O)C(SCC(=O)NCc2ccc3c(c2)OCO3)=C1O	100603457	UKJBYOMODXGBAG-BMIGLBTASA-N	378.450	2.079	0	1	GEAF	
CN(C(=O)CN1CCOCC1)c1ccc(OC2CCN(C3CCC3)CC2)cc1	149368123	GDTLSLTVHVDWRA-UHFFFAOYSA-N	387.524	2.377	0	1	GEAF	
COC(=O)CS[C@@H]1CC(=O)O[C@@H](C)CCC/C=C\[C@@H]2C[C@H](O)C[C@H]2[C@@H]1O	169344123	BSGIUTTTZQKLQE-WQTSGRLHSA-N	386.510	2.071	0	1	GEAF	
CN(Cc1nc2ccc(C(=N)N)cc2[nH]1)S(=O)(=O)c1ccc(Cl)cc1	586928437	BHVLPXBLOZGYMH-UHFFFAOYSA-N	377.857	2.321	0	1	GEAF	
CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3cc4c(cc3[nH]2)OCCCO4)c1	586935639	JFOOPLHOSYDAAW-UHFFFAOYSA-N	376.438	2.406	0	1	GEAF	
CN(C)S(=O)(=O)c1ccc2nc(CCn3ccc(C(F)(F)F)n3)[nH]c2c1	587118955	UGOGVHAEPPOUBC-UHFFFAOYSA-N	387.387	2.271	0	1	GEAF	
O=C(O)C[C@H](NC(=O)OCc1ccccc1)c1nc2c(Cl)ncnc2[nH]1	587203490	QWEYZBQFOMOLDW-JTQLQIEISA-N	375.772	2.449	0	1	GEAF	
CN(C)S(=O)(=O)n1cnc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1	587533656	UMQRCAGKMYWBGL-KRWDZBQOSA-N	375.450	2.123	0	1	GEAF	
O=C(N[C@H]1C[C@@H](C(F)(F)F)CNC1=O)c1nn(-c2ccccc2)c2c1CCC2	618014030	KRKBKLQTTSUTLY-RISCZKNCSA-N	392.381	2.158	0	1	GEAF	
Cc1cccc2c1N(C)C=C(C(=O)O)[C@@]21N[C@H](C(=O)O)Cc2cc(F)ccc21	962907034	SCHVGLSFVRSEAR-UWJYYQICSA-N	382.391	2.395	0	1	GEAF	
CN1[C@H]2COC[C@H]1CC(NC(=O)c1nn(-c3cncs3)c3ccccc13)C2	1772633904	BQMFWOMMUXHVFC-ZIAGYGMSSA-N	383.477	2.073	0	1	GEAF	
OC[C@@H]1[C@H](O)C[C@@H](NC2CCC(F)(F)CC2)[C@@H]1Cc1ccnc(C2CC2)n1	2356287006	BOJKKHGDLSOGQC-XMTFNYHQSA-N	381.467	2.422	0	1	GEAF	
COc1ccc(CNS(=O)(=O)c2cc(Cl)ccc2N2CC[C@@H](O)C2)cc1	96021289	ZPMLDBVSZMUCBC-OAHLLOKOSA-N	396.896	2.398	0	3	GEAF	
COc1cc2c(cc1OC)[C@@H](C(=O)NC[C@@H]1CCCO1)[C@@H]1CCCCN1C2=O	4563958	XTGIYWNPRRNBIB-IYJAJMOOSA-N	388.464	2.091	0	1	GEAF	
COCCNC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@@H]2c3ccccc3C(=O)N21	8486775	CNIPZQWVOYKHQS-QUCCMNQESA-N	375.428	2.400	0	1	GEAF	biogenic
O=C(NCc1ccc(F)cc1)c1nc2ccc(Br)cn2c(=O)c1O	64548752	SAPIEOYWKBEWRF-UHFFFAOYSA-N	392.184	2.232	0	1	GEAF	
CC(=O)N1[C@H](CO)[C@@H](c2ccccc2)C12CN(C(=O)Nc1ccccc1F)C2	95667101	ZJGXAGIMFGTWDO-RTBURBONSA-N	383.423	2.419	0	1	GEAF	
CS(=O)(=O)Nc1ccc(OC[C@@H](O)CNCCc2ccccc2Cl)cc1	96900964	MGRXMFUTVSKTHL-INIZCTEOSA-N	398.912	2.284	0	1	GEAF	
Cc1cc(N)c2c(c1)C(=O)C[C@](CNC(=O)CCC(=O)O)(c1ccccc1)O2	587385847	FJAFDKJFJVOBEQ-NRFANRHFSA-N	382.416	2.419	0	1	GEAF	
CCOC(=O)CCOCCCOCCc1nc2cc(C(=O)O)c(F)cc2[nH]1	587570766	YFSPOARHLSPQJS-UHFFFAOYSA-N	382.388	2.319	0	1	GEAF	
COc1cccc2c3c(cnc12)CCN[C@]3(C)c1ccc(S(N)(=O)=O)cc1	963027884	AOWKNZQVUNQEPF-HXUWFJFHSA-N	383.473	2.300	0	1	GEAF	
N=C1NC(=N)N(Cc2cn(CCCc3ccccc3)nn2)C2(CCCCC2)N1	1857538123	QXRFMILIRTWKDM-UHFFFAOYSA-N	380.500	2.436	0	1	GEAF	
Cc1cc(C(=O)N[C@H](Cc2ccccc2)C(=O)O)c(O)c2c1C[C@@H](C)OC2=O	2356457774	BVASHDNGWPDVAK-MLGOLLRUSA-N	383.400	2.228	0	1	GEAF	
COc1ccc(NC(=O)[C@H]2C(=O)N(CCO)[C@@]3(C)C[C@@H]2c2ccccc2O3)cc1	3640394	GAZFRBHNVWRJFX-ZWCUEREDSA-N	396.443	2.367	0	1	GEAF	
O=C(CN(C(=O)c1ccc2c(c1)OCCO2)c1ccccc1)NC[C@H]1CCCO1	4388420	JNZUISGJZMAUJN-GOSISDBHSA-N	396.443	2.400	0	3	GEAF	
C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc3c(c2)CCN3C(=O)CCC(=O)O)C1	6736730	KEPJDIUPBMYQFQ-ZIAGYGMSSA-N	394.493	2.107	0	3	GEAF	
CN(C(=O)COc1ccc(Cl)nn1)C1CCN(Cc2ncccc2F)CC1	1911583982	QLZVWYXAKMSKNG-UHFFFAOYSA-N	393.850	2.166	0	1	GEAF	
COc1cc(N[C@@H](C)CCCNC(=O)[C@@H](N)CCCCN)c2ncccc2c1	26744919	GVHGVTLGBAHIPI-YJBOKZPZSA-N	387.528	2.397	0	1	GEAF	
CC(=O)O[C@@H]1[C@H](O)[C@@H]2[C@@H]3OC(=O)C4=C3[C@](C)(CC[C@@H]4O)CC[C@@]2(C)[C@H]1C(C)C	2356722122	YMAVCQMSHJECFY-PZZVRMCSSA-N	392.492	2.364	0	1	GEAF	
COc1ccc(C(=C(CO)CO)c2cc(OC)c(OC)c(OC)c2)cc1O	72120394	ZYYUUXHORXYDQZ-UHFFFAOYSA-N	376.405	2.213	0	1	GEAF	
NC(=O)c1ccc2c(c1)S(=O)(=O)N=[S@@]2c1ccc(Br)cc1	73195956	NQTIZOAZSXDKCX-FQEVSTJZSA-N	385.264	2.470	0	1	GEAF	
COc1cc(O)c2c(c1)O[C@@H](c1cc(OC)c(OC)c(OC)c1)[C@H](O)C2=O	225475041	YJYWFEGOUNSQBC-MSOLQXFVSA-N	376.361	2.104	0	1	GEAF	
O=C(N[C@H]1CCCNC1)c1ccnc2[nH]c(-c3ccc(Br)o3)nc12	145105774	UYYLRCPGFZLMJE-VIFPVBQESA-N	390.241	2.462	0	1	GEAF	
O=C(C1CC1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(-c4ccccc4F)cc3)[C@@H]2C1	95797460	QETWDIOFYADYNM-JAXLGGSGSA-N	394.446	2.400	0	1	GEAF	
O=C(C1CCC1)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2C(=O)c1ccccn1	95796445	BMHXABSJKWWWIL-UXHICEINSA-N	391.471	2.063	0	1	GEAF	
O=C(O)c1ccnc(-c2cn([C@@H]3CCCN(C(=O)Cc4ccccc4)C3)nn2)c1	473136455	RRHMCXISRVRNJZ-QGZVFWFLSA-N	391.431	2.445	0	1	GEAF	
O=C(NCc1nc2ccc(-n3cnnn3)cc2[nH]1)c1cccc(C(F)(F)F)c1	587111113	JBAYRUPKYFIDDQ-UHFFFAOYSA-N	387.325	2.487	0	1	GEAF	
COc1c(N2C[C@H](C)N[C@@H](C)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12	5930098	PDLYJBPWYAMEFJ-QWRGUYRKSA-N	389.427	2.369	0	1	GEAF	
Nc1ncnc2c1c(-c1ccc(C(F)(F)F)cc1)cn2[C@@H]1O[C@H](CO)C[C@H]1O	1857568501	NPAGMXLLVGCUPU-XTQGRXLLSA-N	394.353	2.340	0	1	GEAF	
Cc1oc(=O)c2c(c1C)O[C@]1(C)[C@H](O)C[C@]3(O)C(C)(C)C(=O)CC[C@]3(C)[C@H]1C2	2356327498	BYDBIWUWHHXUSH-HFGPCTOTSA-N	390.476	2.458	0	1	GEAF	
NS(=O)(=O)c1ccc(-c2ccc(NC(=O)[C@H]3CN4CCC3CC4)cc2)cc1	6745744	ZHQNSRKFVGKLAO-IBGZPJMESA-N	385.489	2.281	0	1	GEAF	
COc1ccc(CN2C(=O)CO[C@@H]3CN(Cc4ccccc4OC)C[C@@H]32)cc1	2356286383	PHUBFIOUZGHQIY-PZJWPPBQSA-N	382.460	2.316	0	1	GEAF	
CC(C)(C)OC(=O)N1CCCN(Cc2nc3cccc4c(=O)[nH][nH]c(n2)c34)CC1	59275779	JTTLRBNLRMFNRV-UHFFFAOYSA-N	398.467	2.242	0	1	GEAF	
O=C(O)C[C@H]1CCN(C(=O)C2CCOCC2)C[C@H]1Cc1nc2ccccc2[nH]1	2356305960	VVJXUCNVZQQRHU-HZPDHXFCSA-N	385.464	2.471	0	1	GEAF	
COc1ncc(Nc2ncc(C3(O)CC3)cc2-c2nc(C)nc(N)n2)cc1F	113241668	LDEKSEIDMAEWQY-UHFFFAOYSA-N	383.387	2.092	0	1	GEAF	
COCC(=O)N[C@@H]1[C@@H](c2ccccc2)N(C(=O)C2CCCCC2)CC[C@]1(C)O	2356527230	ZBTZWOSNBABGPS-SJBKTWHCSA-N	388.508	2.423	0	1	GEAF	
CN(C)CCN(C)C[C@H]1CN2CC[C@H]1C[C@H]2CNC(=S)Nc1ccccc1	2356839631	LWLOMBPCYHHFOD-BJLQDIEVSA-N	389.613	2.177	0	1	GEAF	
C[C@@H]1CCC=C2C[C@@H]3OC(=O)[C@H](CN4CCC5(CC4)OCCO5)[C@@H]3[C@@H](O)[C@]21C	504796724	NIQPEHCERNDLQS-FMOGIZSMSA-N	391.508	2.110	0	1	GEAF	biogenic
CCCCOC(=O)COC(=O)CN(C)C(=O)c1coc(-c2cccs2)n1	82085819	QSSLVFWTUNPMIX-UHFFFAOYSA-N	380.422	2.362	0	1	GEAF	
COc1cc(C2=C(c3c[nH]c4cccnc34)C(=O)NC2=O)cc(OC)c1OC	95577962	HAZVONJAIHMOQD-UHFFFAOYSA-N	379.372	2.156	0	1	GEAF	
CC[C@H]1CN(C(=O)c2ccccc2)CCN1S(=O)(=O)c1c[nH]c2ncccc12	96921536	YTXBGWLKIPICDW-INIZCTEOSA-N	398.488	2.488	0	1	GEAF	
O=C(CNC(=O)c1ccccc1)NN1C(=O)CS[C@@H]1c1c[nH]c2ccccc12	299841049	XOVGMNPBCMSHDS-HXUWFJFHSA-N	394.456	2.203	0	1	GEAF	
C[C@@H](C(=O)N1C=CN(c2cccc(C(F)(F)F)c2)CC1)N1C(=O)CCC1=O	473131282	NYBXHBDVVABIBK-LBPRGKRZSA-N	381.354	2.363	0	1	GEAF	
Cc1ccccc1CC(=O)Nc1ccc(-c2nc3c(O)nc(N)nc3[nH]2)c(O)c1	587240392	JEYAIWQMVFLAAB-UHFFFAOYSA-N	390.403	2.503	0	1	GEAF	
O=C(O)C[C@H](O)Cc1nc2cc(Br)c(Br)cc2[nH]1	586886226	ACVXIRXNQXBJIL-RXMQYKEDSA-N	378.020	2.466	0	1	GEAF	
COc1cc2c3c(c1)O[C@@H](c1ccc(Cl)c(S(N)(=O)=O)c1)[C@@H](C2)C3=O	587449528	PBCHRJUOQFJUSC-GTNSWQLSSA-N	379.821	2.485	0	1	GEAF	
O=C(O)[C@@H]1Cc2cccc(F)c2C2(CCN(C(=O)c3cccc(O)c3)CC2)N1	962892778	HERBRWUJDSZQCP-KRWDZBQOSA-N	384.407	2.262	0	1	GEAF	
O=Cc1cnc2n1C=CC[C@@]21N[C@H](C(=O)O)Cc2cc(OC(F)(F)F)ccc21	962646709	WYRUGKOIIZKBBH-YOEHRIQHSA-N	393.321	2.311	0	1	GEAF	
COc1ccc2c(c1)nc(/C=C/c1ccc(O)c(OC)c1)c(=O)n2CC(=O)O	1772622794	XTPVTMHYVWVQGJ-ZZXKWVIFSA-N	382.372	2.374	0	1	GEAF	
CC(C)[C@H](NS(=O)(=O)c1cccc2nsnc12)C(=O)N1CCCCC1	5068040	GVSIPFBGPVRCND-AWEZNQCLSA-N	382.511	2.007	0	3	GEAF	
COC(=O)CC[C@H](NC(=O)c1cc2c([nH]c3ccccc32)c(C(C)=O)n1)C(=O)O	203402174	WFKRMKJIHJZXIX-AWEZNQCLSA-N	397.387	2.055	0	1	GEAF	
CC(=O)N1N=C(c2ccc(F)cc2)C[C@H]1c1cccc(OS(N)(=O)=O)c1	1857604998	DAJVBQRSVSECJK-KRWDZBQOSA-N	377.397	2.106	0	1	GEAF	
CC1(C)CCS(=O)(=O)c2cc(S(=O)(=O)c3ccc(CN)s3)ccc21	1857619797	LGXXZQLQVFJPMG-UHFFFAOYSA-N	385.532	2.495	0	1	GEAF	
CN=c1[nH]cc(C(=O)OCc2ccc(OC)cc2)c2nc(-c3ccco3)nn12	1857765283	AJNUBNSGQWWYDC-UHFFFAOYSA-N	379.376	2.214	0	1	GEAF	
COC[C@]1(O)CC[C@@H]2C1=C[C@@]1(O)O[C@@H](CC3=C(C(C)C)C(=O)O[C@@]31C)[C@H]2C	2356326244	VORAYVCCQFEERK-UOYXUKFLSA-N	378.465	2.096	0	1	GEAF	
O=c1c2[nH]c3ccccc3c2nc(O)n1CCN1CCN(c2ccccc2)CC1	29485772	ZEKVIIOJEYSVAB-UHFFFAOYSA-N	389.459	2.406	0	1	GEAF	
CC(C)(Oc1ccccc1)C(=O)NC1[C@H]2CC3C[C@@H]1CC(S(N)(=O)=O)(C3)C2	28883342	RJFGXRMIXRFUOJ-UUDGIEBZSA-N	392.521	2.196	0	1	GEAF	
O=C1CN2Cc3cc(OCCCc4nnnn4C4CCCCC4)ccc3N=C2N1	26939433	UYQBZOHBWZRWNY-UHFFFAOYSA-N	395.467	2.123	0	1	GEAF	
O=C(C=Cc1ccc(O)cc1)OC[C@@H](CO)OC(=O)C=Cc1ccc(O)cc1	2356537684	BGQSICSUVXWPAE-LJQANCHMSA-N	384.384	2.272	0	1	GEAF	
O=C(N[C@@H]1CO[C@@H]2[C@H](Nc3nccc(-c4cccs4)n3)CO[C@H]12)c1ccco1	2356863398	UQTQOARCPRMQGS-BQGCOEIASA-N	398.444	2.175	0	1	GEAF	
O=C([C@@H]1CCCN1C(=O)c1csc(Nc2ccccc2)n1)N1CCCNCC1	82085423	DFRQMKCTMLEJQE-KRWDZBQOSA-N	399.520	2.313	0	1	GEAF	
Cc1cc(NC(=O)c2ccc3cc4n(c3c2)CC2(CCNCC2)CNC4=O)no1	147828050	ISAFTAUACSMHBZ-UHFFFAOYSA-N	393.447	2.303	0	1	GEAF	
COCc1ccc(NS(=O)(=O)c2ccc(OC)c(N3CCNCC3)c2)cc1	95577705	WUZHRNQRXOPBCA-UHFFFAOYSA-N	391.493	2.052	0	1	GEAF	
COc1cc([C@@H](O)[C@H]2CO[C@H](c3ccc(O)c(OC)c3)[C@H]2CO)ccc1O	98188877	MWQRAOGWLXTMIC-AFHBHXEDSA-N	376.405	2.145	0	1	GEAF	
CCOC(=O)c1c(NC(=O)C[C@H]2SC(=N)NC2=O)sc2c1CCSC2	653794102	NWUWNIDFNUNWCY-MRVPVSSYSA-N	399.519	2.209	0	1	GEAF	
O=S(=O)(CCc1nc2ccc(-n3cnnn3)cc2[nH]1)c1ccc2c(c1)CCC2	586923073	XUFJOXFQOFJBDS-UHFFFAOYSA-N	394.460	2.044	0	1	GEAF	
CNC(=O)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccc(Br)o1	5150823	PHSOXRSCRKPOSL-UXBLZVDNSA-N	393.193	2.288	0	1	GEAF	
COc1cc(C[C@@H](CO)[C@@H](CO)Cc2ccc3c(c2)OCO3)cc2c1OCO2	13480443	IUWDYVPWRWCWQD-CVEARBPZSA-N	388.416	2.155	0	1	GEAF	biogenic
C[C@](O)(C(=O)Nc1ccc(S(=O)(=O)c2cncs2)cc1)C(F)(F)F	13760245	VFBGBNVAOFVHRV-LBPRGKRZSA-N	380.369	2.228	0	1	GEAF	
C[C@H](c1nc(=O)c2cnc(C3CCOCC3)n2[nH]1)N1CC(c2ccccc2)C1	205424577	FZUKRPWMHZXLKZ-CQSZACIVSA-N	379.464	2.472	0	1	GEAF	
CCOc1ccccc1[C@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)NCCO	4039724	RYXTUEFKMSCEBG-PZJWPPBQSA-N	397.475	2.352	0	1	GEAF	
O=C(C=Cc1ccccc1)O[C@@H]1C=CC(=O)O[C@@H]1[C@@H](O)[C@@H](O)c1ccccc1	2356382596	GWFOGXDMANDIHC-MNAPGUCWSA-N	380.396	2.188	0	1	GEAF	
CCCC[C@@H](N[C@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(=O)O	29340402	SFSPBYKWGITRFL-KURKYZTESA-N	392.496	2.446	0	1	GEAF	
Cc1nc(N)sc1-c1nc(Nc2cccc(S(N)(=O)=O)c2)ncc1F	103292888	BQLLLVDIZXOQJD-UHFFFAOYSA-N	380.430	2.021	0	1	GEAF	
CC=C1CN2CC[C@@]34c5cc(OC)ccc5N5C(=O)[C@H](OC)OC[C@H]([C@H]53)[C@H]1C[C@@H]24	2356439319	NBQDHEDMCIJPPC-WHJJTZFLSA-N	396.487	2.321	0	1	GEAF	
COc1c2c(cc3c1[C@H](O)[C@@H]1COC(=O)[C@@H]1[C@H]3c1ccc3c(c1)OCO3)OCO2	2356439884	GTFKUBXSHHHPRX-HJSDFSPCSA-N	398.367	2.121	0	1	GEAF	
COc1cccc(N2CCN(CCCCN3C(=O)CC(C)(C)CC3=O)CC2)n1	27706824	OBCWRHFHKMQBHO-UHFFFAOYSA-N	388.512	2.168	0	1	GEAF	
CN(C)C(=O)[C@H]1C[C@H](Nc2nc(-c3ccccc3O)nc3ccccc23)CN1	84489107	UQMQLMUUUGBCKS-SUMWQHHRSA-N	377.448	2.233	0	1	GEAF	
CNc1nc2[nH]c(-c3cccc(CNC(=O)CN(C)C)c3)cc2c2c1ncn2C	43013468	KGIXECNIEFMEFX-UHFFFAOYSA-N	391.479	2.336	0	1	GEAF	
COc1cc(Cc2nnc(NC(C)(C)C)o2)c(S(=O)(=O)N(C)C)cc1OC	82156503	ABYHUAKUADYSLB-UHFFFAOYSA-N	398.485	2.138	0	1	GEAF	
Cc1cc(C(=O)N2CCN(c3nc4ccccc4nc3NC3CC3)CC2)no1	144486195	SBPFGJNUXLJKQH-UHFFFAOYSA-N	378.436	2.463	0	1	GEAF	
C/C=C(\C)C(=O)N1C[C@H](OCCCc2ccccc2)C[C@H]1C(=O)N[C@@H](C)CO	82197098	DVZGHGCCBKFRTA-IGLGHFDLSA-N	388.508	2.069	0	1	GEAF	
CCC(=O)N(C)C[C@H]1[C@H](c2ccc(-c3cccnc3)cc2)[C@@H](CO)N1C(C)=O	95895542	WSIAAOVRQHSRNB-VWPQPMDRSA-N	381.476	2.292	0	1	GEAF	
NC(=O)CN1C(=O)[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21	587519321	YWOZSOBQCPPRNQ-QFIPXVFZSA-N	376.412	2.258	0	1	GEAF	
CCOc1cc(-c2cccc(F)c2)nn1C(=O)CCN1C(=O)NC(C)(C)C1=O	587872703	RYCHGYJZMGVVFJ-UHFFFAOYSA-N	388.399	2.449	0	1	GEAF	
C[C@H](Oc1ccccc1)C(=O)NCc1nc2nc(Br)c[nH]c-2n1	587224821	KIOAUPYMNSTOIQ-VIFPVBQESA-N	376.214	2.151	0	1	GEAF	
CCN1C(=O)c2ccccc2[S@@](=O)c2ccc(C(=O)N3CCOCC3)cc21	5058538	BQRVKQZAHZDGLQ-MHZLTWQESA-N	384.457	2.306	0	3	GEAF	
Cc1nc(-c2ccc(C(=O)N[C@@H]3CCN(C#N)C3)nc2)cc(C(F)(F)F)n1	1857555470	FSPFJSXSVJVCOY-GFCCVEGCSA-N	376.342	2.151	0	1	GEAF	
CN(C)S(=O)(=O)c1ccc(CCNC(=O)NCCCc2ccccc2)cc1	1857656608	GPEAREUUUSDFIO-UHFFFAOYSA-N	389.521	2.411	0	1	GEAF	
COc1ccc(-c2noc([C@@H](C)O)c2C(=O)N2CCCN(C(C)=O)CC2)cc1	2356322702	ZQBLTBBFYISFDZ-CYBMUJFWSA-N	387.436	2.098	0	1	GEAF	
CCOC(=O)[C@@H]1Cc2cn(cn2)C/C=C/COc2ccc(Cl)c(c2)C(=O)N1	103258293	HVNJFKHWGJHMOH-IDOMTICXSA-N	389.839	2.389	0	1	GEAF	
Cc1ccc2oc(=O)c3cc(C(=O)NCCN4CCN(C)CC4)sc3c2c1	20286385	NZXXJIZUWTVSPN-UHFFFAOYSA-N	385.489	2.293	0	3	GEAF	aggregator
COc1cnc(C(=O)Nc2ccc(F)c([C@@]3(C)N=C(N)OCC3(F)F)c2)cn1	95604139	YPYVNGJSDUTKIO-MRXNPFEDSA-N	395.341	2.072	0	1	GEAF	
COc1cc(O)c2c(=O)c(O)c(-c3cc(O)c(OC)c(O)c3)oc2c1OC	238757420	NJEYMEVCWJLGNF-UHFFFAOYSA-N	376.317	2.308	0	1	GEAF	
CC[C@H](C)[C@H](OC(=O)[C@H](N)C(C)C)C(=O)N[C@H](C(=O)OC(C)(C)C)C(C)C	43062673	KBTKFANUSQUABR-FZKCQIBNSA-N	386.533	2.410	0	1	GEAF	biogenic
C[C@]1(CC(=O)N2CCOCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	587596684	SLMFJETYDXFGNV-WIYYLYMNSA-N	383.400	2.361	0	1	GEAF	
COc1cc2nc(CNC(=O)CNC(=O)OCc3ccccc3)[nH]c2cc1OC	587227024	HYFSGUHDEXBWFF-UHFFFAOYSA-N	398.419	2.123	0	1	GEAF	
CN(C)c1cccc2c(S(=O)(=O)NCc3nc4cc(N)ncc4[nH]3)cccc12	586942089	HEZRYDPOJPWAIW-UHFFFAOYSA-N	396.476	2.238	0	1	GEAF	
C[C@H]1NN=C(c2ccc(S(=O)(=O)Nc3sc(S)nc3O)cc2)S1	169728818	BUTCKZYUZYWMLP-LURJTMIESA-N	388.521	2.282	0	1	GEAF	
COc1cc2c(cc1O)C[C@]21COc2cc(OC(C)=O)cc(OC(C)=O)c2C1=O	1857591031	YKEXZZODJQXHGW-NRFANRHFSA-N	398.367	2.321	0	1	GEAF	
CCCN1CCN(CCCNC(=O)c2oc3c(c2C)-c2[nH]ncc2CC3)CC1	20900762	FCUIJHWVLSEBJS-UHFFFAOYSA-N	385.512	2.224	0	1	GEAF	
CN1CCC(NC[C@@H]2O[C@H](Cc3cc(-c4ccccc4)on3)CC[C@H]2O)CC1	2356404359	LVPLJXOBCVXANF-VWPQPMDRSA-N	385.508	2.476	0	1	GEAF	
CCOc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)NCCO	4039718	RYXTUEFKMSCEBG-CTNGQTDRSA-N	397.475	2.352	0	1	GEAF	
C[C@@]1(NCC2CCN(Cc3ccccc3)CC2)c2ccc(=O)[nH]c2CC[C@@H]1O	26979798	HDVGLNSYFCVPTD-JTHBVZDNSA-N	381.520	2.399	0	1	GEAF	
Nc1ccc(S(=O)(=O)NCc2cn(Cc3ccc(Cl)cc3)nn2)cc1	64491769	OYTKGQBOYDSVIF-UHFFFAOYSA-N	377.857	2.041	0	1	GEAF	
C/C=C(/C)C(=O)O[C@@H](C1=C(C)[C@@H](O)OC1=O)[C@]1(C)[C@H](C)[C@@H]2CC[C@@H]1[C@H](OC)O2	104383177	YEMKZDPASIYASW-FAPVATFYSA-N	394.464	2.480	0	1	GEAF	in-man
CC=C(C)C(=O)O[C@H]1C[C@H]2C[C@@H](OC(=O)C=C(C)C(=O)OCC)C[C@H]1N2C	2356668789	BMCYUBMWFPFWQQ-VQHPVUNQSA-N	379.453	2.152	0	1	GEAF	
NC[C@H](c1ccc(C(F)(F)F)cc1)N1CCN(c2ncnc(N)c2F)CC1	219038835	IRHPCOFQAKQMKZ-CYBMUJFWSA-N	384.381	2.039	0	1	GEAF	
CCOc1ccc2c(c1)n1ncc(C(=O)OCc3ccccc3OC)c1n[n+]2[O-]	43016543	ZLQGJZCNNJOHCH-UHFFFAOYSA-N	394.387	2.280	0	1	GEAF	
O=Cc1c(Cl)n([C@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2cc(Cl)c(Cl)cc12	49792627	QJLFDUROSXZMQK-BYNQJWBRSA-N	380.611	2.026	0	1	GEAF	
COCC(=O)NC[C@@H]1[C@H](c2ccc(C3=CCCC3)cc2)[C@@H](CO)N1C(=O)C1CC1	95895879	QFILKHAMRPHMJJ-SJBKTWHCSA-N	398.503	2.082	0	1	GEAF	
COc1cccc([C@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(C)CC(=O)N23)c1	26771878	WYWKIYRMFFRQSA-NQIIRXRSSA-N	375.428	2.491	0	1	GEAF	biogenic
CC[C@]12C=CCN3CCc4c(n(c5cc(OC)c(O)cc45)[C@@](O)(C(=O)OC)C1)[C@@H]32	35241602	UWXGHIWLXTUDQM-HJNYFJLDSA-N	398.459	2.443	0	1	GEAF	biogenic
COc1ccc(S(=O)(=O)N[C@H](c2nc3cc(F)cc(F)c3[nH]2)[C@H](C)O)cc1	586938179	OPVROSYBCUKJLB-VFZGTOFNSA-N	397.403	2.250	0	1	GEAF	
CS(=O)(=O)NCCC[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	587606529	HXDNLIGYTZFLEZ-GOEBONIOSA-N	377.418	2.052	0	1	GEAF	
O=C(N[C@@H](Cc1nc2ccc(C(=O)O)cc2[nH]1)C(=O)O)OCc1ccccc1	587204366	XEMHWGULIPWKGB-HNNXBMFYSA-N	383.360	2.183	0	1	GEAF	
COCCN/C(=C1/N=CN(CCOC)C1=O)c1[nH]c2ccccc2c1Cl	1857655007	VZEFQYNPSWQZKG-WUKNDPDISA-N	376.844	2.243	0	1	GEAF	
CCn1ncc2c1CC[C@@H](N=c1nc3c(-c4ccc(OC)nc4)cccn3[nH]1)C2	1857752062	IIJCPDFRXNMOQQ-MRXNPFEDSA-N	389.463	2.408	0	1	GEAF	
O=S(=O)(NCCNc1nccc(-n2ccc3cccnc32)n1)c1ccccc1	1911571112	NKSRXDZVMUCVMC-UHFFFAOYSA-N	394.460	2.206	0	1	GEAF	
COC(=O)c1c2ccoc3c-2c2c1[C@@]1(O)C[C@H]4N(C[C@H](C)C1=O)C[C@H](CC3)[C@]24C	2356407371	BXJHWSRWRXDUSI-ZGSNTDPASA-N	395.455	2.485	0	1	GEAF	
COc1ccc([C@H](O)CN[C@@H](C)CCc2ccc3c(c2)OCO3)cc1C(N)=O	27073427	XYORPFAZUCCVPS-SUMWQHHRSA-N	386.448	2.167	0	1	GEAF	
O=C([C@@H]1C[C@H](N2CCc3cc(Br)ccc32)CN1)N1CCSC1	28640769	MFXIKULCYIAANA-KBPBESRZSA-N	382.327	2.075	0	1	GEAF	
NC(=O)CC[C@H]1C(=O)C[C@H](Nc2ccccc2)c2nc3ccccc3c(=O)n21	2356788179	WLUVMRPCQHOBCZ-IRXDYDNUSA-N	376.416	2.329	0	1	GEAF	
C[C@@H]1O[C@H](Oc2ccc(-c3coc4cc(O)ccc4c3=O)cc2)C[C@H](O)[C@H]1O	2356871843	YLQMKZXPOROVMQ-ZQTJEYEUSA-N	384.384	2.401	0	1	GEAF	
CC[C@@H](C)NC(=O)c1cnc(N2CCN(C(C)=O)CC2)nc1-c1ccccc1F	82152327	VCDHGAQTWUFXRW-CQSZACIVSA-N	399.470	2.480	0	1	GEAF	
O=C(CO)Nc1ccc2ncn(Cc3ccc(C(F)(F)F)cc3)c(=O)c2c1	40880295	OUTMTEWJBRUCCS-UHFFFAOYSA-N	377.322	2.394	0	1	GEAF	
CCS(=O)(=O)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2CC1CCCC1	95794138	CJXWLRNZKMQXON-RBUKOAKNSA-N	378.538	2.041	0	1	GEAF	
CC(C)NC(=O)N1[C@H](CO)[C@@H](c2ccccc2)[C@H]1CN(C)C(=O)c1ccncc1	95894833	KPHVTGIVUOUIIJ-AQNXPRMDSA-N	396.491	2.101	0	1	GEAF	
CO[C@@H]1O[C@@H](O)[C@@]23[C@H](CCC(C)(C)[C@@H]12)OC(=O)[C@@]12C[C@H](CC[C@H]13)[C@@H](C)C2=O	653737400	OVJNATNESHNAMK-KGOONUNDSA-N	378.465	2.277	0	1	GEAF	
CCCCS(=O)(=O)N[C@H](c1nc2cc3c(cc2[nH]1)OCC(=O)N3)C(C)C	586933483	SRROSNRGRVRVOZ-INIZCTEOSA-N	380.470	2.310	0	1	GEAF	
C[C@@H](NC(=O)Nc1cc2[nH]nc(NCC(=O)N(C)C)c2cn1)c1ccccc1	1772583571	OPOWQBCYQCCTGS-GFCCVEGCSA-N	381.440	2.341	0	1	GEAF	
COc1ccccc1-c1noc(Cn2nc(CC(=O)O)c3ccccc3c2=O)n1	13449029	VNGJJHGVCHFORN-UHFFFAOYSA-N	392.371	2.131	0	1	GEAF	
O=C(O)CN1C(=O)[C@@]2(CC(=O)N(Cc3ccccc3)C2)c2cc(Cl)ccc21	14976799	BDWQUHFLKUXBHZ-HXUWFJFHSA-N	384.819	2.442	0	1	GEAF	
C[C@H]1C[C@@H](C)CN(C(=O)CCS(=O)(=O)c2ccc3c(c2)NC(=O)CS3)C1	15935078	NSPOUXUTKWVSGZ-BETUJISGSA-N	396.534	2.399	0	3	GEAF	
c1ccc(-n2cc(-c3ccnc(N4CCN(c5cnccn5)CC4)n3)cn2)cc1	19335690	NFQQWXHHKLMMHG-UHFFFAOYSA-N	384.447	2.446	0	1	GEAF	
C[C@@]1(CSc2cccc(C(=O)NCc3cccs3)c2)NC(=O)NC1=O	1857774794	PAZUBYSYBPUVDE-KRWDZBQOSA-N	375.475	2.368	0	1	GEAF	
COc1ccc([C@H]2[C@@H](OC)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1N	26170043	KCXJMMJALCDAAV-PKOBYXMFSA-N	388.420	2.406	0	1	GEAF	
COC(=O)COc1c(CO)cc(Br)c(OC)c1Br	28652102	DZRWAHXNQQZQCB-UHFFFAOYSA-N	384.020	2.264	0	1	GEAF	
COC(=O)C1=C2Nc3cc(OC)c(O)cc3[C@]23CCN2CC[C@@H]4OCC[C@]4(C1)[C@H]23	2356577669	LZVMXRSCSWSPDH-GUGJDKNPSA-N	398.459	2.148	0	1	GEAF	
COC(=O)[C@@H]1C[C@@]23C4=C(CC[C@@H]41)CC[C@H]1CN4C[C@@H](C)[C@@H](C=C[C@@]12CO)[C@]43O	2356581094	KJJSHRRLRCGALL-MCPSGMFSSA-N	385.504	2.101	0	1	GEAF	
O=C(C=Cc1cccs1)NC(=S)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O	2356645063	DKBPNSNKESPGAW-KGLIPLIRSA-N	385.514	2.443	0	1	GEAF	
N[C@@H]1CCN(c2nc3c(cc2F)c(=O)c(C=O)cn3-c2ccc(F)cc2F)C1	31424719	IXOLUVCRGNJKSZ-GFCCVEGCSA-N	388.349	2.153	0	1	GEAF	
Cc1cc(C)n(CC(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)n1	49070587	LRHFSLJAFVMTKO-NRFANRHFSA-N	393.491	2.399	0	1	GEAF	
COc1cccc(C(=O)N2CCN(C(=O)C(=O)c3c[nH]c4ccccc34)CC2)c1	45287195	QADJVEAGCOYHGA-UHFFFAOYSA-N	391.427	2.344	0	1	GEAF	
CNC(=O)c1cnc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)s1	45299814	WDBWESHSYASXHU-UHFFFAOYSA-N	398.410	2.484	0	1	GEAF	
CN(C)[C@@H]1CO[C@@H]2C3=C[C@H]4OC(=O)[C@@]5(C)[C@@H](O)CC[C@](C)([C@H]45)[C@H]3CC[C@]12C	238734923	MRVMMDQTZLIFLF-VUNVYUSFSA-N	375.509	2.381	0	1	GEAF	
CCCNC(=O)N[C@H]1CC[C@@H](CCn2cc(C3CCCCC3)nn2)O[C@H]1CO	95903201	DEXIUYVPHBRLOT-LNLFQRSKSA-N	393.532	2.334	0	1	GEAF	
COC1CN(c2ccc(C(=O)NCC3(O)CCCCC3)nc2OCC2CC2)C1	473168301	LIZJLQKIVJCYJD-UHFFFAOYSA-N	389.496	2.130	0	1	GEAF	
NNc1nc(C(=O)n2ncc3ccc(Cl)cc3c2=O)c(Cl)c(N)c1Cl	587651807	OYUWJPNRXSOAPE-UHFFFAOYSA-N	399.625	2.308	0	1	GEAF	
CCOC(=O)c1cc(Br)c2[nH]c([C@H]3CSCC(=O)N3)nc2c1	587044393	VJSJYGWSNPHROU-SNVBAGLBSA-N	384.255	2.406	0	1	GEAF	
COc1cc(Br)c([C@@H](N)c2nc3c(N)ccnc3[nH]2)cc1OC	586975057	JPACUCNLFNTJML-GFCCVEGCSA-N	378.230	2.368	0	1	GEAF	
NCc1cc(Oc2cccc(C(=O)N3CCN(c4ccccn4)CC3)c2)ncn1	1857620185	DEPSCRQXMFXDQQ-UHFFFAOYSA-N	390.447	2.085	0	1	GEAF	
CN(C)S(=O)(=O)c1ccc(NC(=O)COC(=O)C[C@H]2C[C@H]3CC[C@@H]2C3)cc1	4869952	DGSHOEYQIMAQIL-RRFJBIMHSA-N	394.493	2.245	0	1	GEAF	
CN1c2ccccc2N2C(=O)CN(CCN3CCCCC3)C(=O)[C@H]2c2cccn21	6481599	HIQNARFENNRHFI-OAQYLSRUSA-N	393.491	2.103	0	1	GEAF	
O=C(Cn1nnnc1CN1CCCCCC1)N[C@H](c1ccco1)C(F)(F)F	11838308	QUJDDUMZDJJQJV-OAHLLOKOSA-N	386.378	2.062	0	1	GEAF	
CC(=N)NC[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C	13863364	HPIXXBOXOMPJNI-UGKGYDQZSA-N	394.519	2.419	0	1	GEAF	
O=C(c1ccc(N[C@@H]2CCSC2)nc1)N1CCCN(c2ncccn2)CC1	19837005	IIYDQTYBGKPPOI-MRXNPFEDSA-N	384.509	2.142	0	1	GEAF	
COc1cc2c(cc1OC)[C@@H](O)[C@@H]1c3ccc(OC)c(OC)c3CC(=O)N1CC2	39062401	NGQVCVNGCPSBRV-LEWJYISDSA-N	399.443	2.437	0	1	GEAF	biogenic
CNc1ncnc2c1nc(-c1ccc(P(=O)(O)O)o1)n2CCc1ccccc1	40403368	TXDJCLQDIPNPKV-UHFFFAOYSA-N	399.347	2.174	0	1	GEAF	
COCC(=O)N1CCc2c(c(=O)[nH]c3c2c(C2CCC2)nn3CC(F)(F)F)C1	82196010	CCWGZKQJZQKHEZ-UHFFFAOYSA-N	398.385	2.086	0	1	GEAF	
COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)C1CCC1)CC31CN(C)C1	95864707	JQXDDRXOSCCKHC-SFHVURJKSA-N	383.492	2.046	0	1	GEAF	
CN(CC(=O)O)C(=O)COc1ccc2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2	143499402	OIEOGVSVBMPLIQ-SFHVURJKSA-N	395.333	2.387	0	1	GEAF	
CC(C)=CC[C@@H]1C(=O)N2c3ccccc3[C@H]1[C@@]21NC(=O)/C(=C\c2c[nH]cn2)N1	238784447	GZLJILCJSJSFSB-FZYJRGIJSA-N	375.432	2.240	0	1	GEAF	
C[C@@H]1C[C@](C)(O)[C@@H]2[C@@]3(C)CCC[C@@]2(COC3=O)[C@]12CC[C@@]1(CCOC1=O)O2	263608184	SXRSWIKTOZHQDT-RMFMMPNLSA-N	378.465	2.362	0	1	GEAF	
O=C([C@@H]1CCS(=O)(=O)C1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O	587660914	JUCXMBDHIWUQGR-CYBMUJFWSA-N	386.404	2.278	0	1	GEAF	
Cc1c2c(nn1C)[C@](c1ccc(C3OCCO3)s1)(C(C)C)N[C@H](C(=O)O)C2	962706083	GZUVVTLMMIBWSV-ORAYPTAESA-N	391.493	2.334	0	1	GEAF	
O=C(NC[C@@H](O)CN1CCc2ccccc2C1)c1cccc([C@H]2CCCN2)c1	1772586297	PKWYZZNVHKRIOP-FGZHOGPDSA-N	379.504	2.260	0	1	GEAF	
CNC(=O)c1c(O)c2c(c3c1O[C@@H]1OCCC[C@@H]1C3)O[C@H]1OCCC[C@@H]1C2	1857746261	GSOHGZIAVKHCRE-ILDFCORTSA-N	375.421	2.127	0	1	GEAF	
COc1ncc(N2CCOc3ccc(CN(C)C)cc32)cc1NS(C)(=O)=O	1911584226	SAHCNYAOSGATSF-UHFFFAOYSA-N	392.481	2.054	0	1	GEAF	
CSc1nc2c(c(N3CCOCC3)n1)[C@H](O)n1c(nc3ccccc31)S2	1658788	NVGPQUGITMKGOU-HNNXBMFYSA-N	387.490	2.389	0	1	GEAF	
COc1ccccc1C(=O)N[C@@H]1[C@H](c2ccc(C(F)(F)F)nc2)C[C@H](O)[C@H]1O	2356286534	CZQCHKLSPFUMAG-WRFANHODSA-N	396.365	2.117	0	1	GEAF	
CN(C)S(=O)(=O)c1ccc(NC(=O)COC(=O)C[C@H]2C[C@@H]3CC[C@@H]2C3)cc1	101738531	DGSHOEYQIMAQIL-RBSFLKMASA-N	394.493	2.245	0	1	GEAF	
CCS[C@@]12O[C@@]3(CCCCCN3C1=O)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12	102964826	KEAQETBYJBOAGZ-IDENBPMYSA-N	386.473	2.384	0	1	GEAF	
COc1ccc(C[C@@H]2COC(=O)[C@H]2[C@@H](O)c2ccc3c(c2)OCO3)cc1OC	2356724840	ARVNAKBKMLHRDP-XMCHAPAWSA-N	386.400	2.498	0	1	GEAF	
Cc1nnc(SCC(=O)c2ccccc2)n1N1C(=O)c2ccccc2C1=O	84708920	UNBBVVPXQRTROH-UHFFFAOYSA-N	378.413	2.494	0	1	GEAF	
Cn1c(N2CCCC2)nc2c(CN3CCN(c4ccccc4)CC3)c[nH]c2c1=O	43024922	KTYLNGVSKMMZGB-UHFFFAOYSA-N	392.507	2.184	0	1	GEAF	
COc1cc(OC)cc(-c2nc(C(=O)N3CCC[C@H](C(N)=O)C3)cs2)c1	82081382	YXZYKQJFBSJGMT-NSHDSACASA-N	375.450	2.165	0	1	GEAF	
Cn1ncc(NC(=O)c2nc(-c3ccccc3)ccc2N)c1N1CCC(N)CC1	145739614	CDPLNEIWXMADGF-UHFFFAOYSA-N	391.479	2.244	0	1	GEAF	
COCCN(C[C@@H]1N[C@@H](CO)[C@@H]1c1ccc(-c2ccc(F)cc2)cc1)C(C)=O	95895639	IALDNOXXIDQRDH-FDFHNCONSA-N	386.467	2.404	0	1	GEAF	
CCC(=O)N1[C@H](CO)[C@@H]2c3ccccc3N(C(=O)c3ccc4c(c3)OCO4)C[C@@H]21	95894085	JMVPXSPCBDXTLG-CSODHUTKSA-N	394.427	2.141	0	1	GEAF	
O=C(Nc1ccc(F)cc1)N[C@H]1CC[C@H](CC(=O)N2CCCCC2)O[C@@H]1CO	95906011	KCKILWFDBJPGIO-FGTMMUONSA-N	393.459	2.258	0	1	GEAF	
COc1cccc(NC(=O)N2CC3(C2)[C@H](c2ccccc2)[C@H](CO)N3C(C)=O)c1	95796311	BMFQPRSVJKABNP-VQTJNVASSA-N	395.459	2.288	0	1	GEAF	
CC(C)C(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)O)O[C@H]1CO2	95891908	JZXHOMCODGESNA-QRTARXTBSA-N	390.436	2.136	0	1	GEAF	
CCOC(=O)CCOCCCOCCc1nc2ccc(C(=O)OC)cc2[nH]1	587569571	RHMKTQFUWIEIEI-UHFFFAOYSA-N	378.425	2.269	0	1	GEAF	
COc1ccc(NS(=O)(=O)c2ccc3nc(CC(=O)N(C)C)[nH]c3c2)cc1	587197863	WBOFBKNGNLRXTM-UHFFFAOYSA-N	388.449	2.003	0	1	GEAF	
COc1cccc(CN2CCc3c(sc(NC(=O)C(=O)O)c3C(=O)O)C2)c1	13491478	CEOJCMQCQZMARJ-UHFFFAOYSA-N	390.417	2.036	0	1	GEAF	
COC(=O)N1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@H](CN(C)C)C1	13832134	IYHYXKBLRAJUGQ-CYBMUJFWSA-N	388.295	2.377	0	1	GEAF	
COc1cc(Cc2nc3c(N)ncnc3n2C[C@H]2CCCO2)cc(OC)c1OC	13839119	SDMJRDSYBMEVRM-CYBMUJFWSA-N	399.451	2.204	0	1	GEAF	
Cc1cc(=O)c2c(O)c3c(c([C@@H](O)[C@H](O)C(C)(C)O)c2o1)OC(C)(C)C=C3	14511599	YRDMYIZMXKJVCI-QAPCUYQASA-N	376.405	2.156	0	1	GEAF	
COC(=O)[C@@]1(C)N[C@@H](c2ccc(O)cc2)[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21	169296730	BXNIWTHCKAVZLL-QLDGJZPUSA-N	394.427	2.082	0	1	GEAF	
CCOC(=O)[C@H]1C(COC(=O)c2ccc3ccccc3c2O)=NC(=O)N[C@@H]1C	169691903	AERNAALFHASSPO-BDJLRTHQSA-N	384.388	2.434	0	1	GEAF	
NCCNC(=O)C(CN)(Cc1c(F)cccc1F)Cc1c(F)cccc1F	1857591745	CUVJHOOOFVKAKI-UHFFFAOYSA-N	383.389	2.048	0	1	GEAF	
CCCOc1c2c(cc3oc(CO)c(CCCO)c(=O)c13)O[C@@H](C(C)(C)O)C2	2356317596	DYZMJOGXDJUUHR-QGZVFWFLSA-N	392.448	2.073	0	1	GEAF	
O=C1NC(=S)N/C1=C/c1ccc(-c2ccc(C(=O)N3CCOCC3)cc2)s1	103227938	GTKPBIAPZHSTSV-RVDMUPIBSA-N	399.497	2.233	0	1	GEAF	
Cn1cnc2cc(-c3ccc(C4(N)CC4)cc3)nc(N[C@@H]3CCOC3)c2c1=O	115625868	CAXFBNAOZKZHQF-OAHLLOKOSA-N	377.448	2.144	0	1	GEAF	
CC1CCN(CCCNC(=O)Cn2ncc3c4ccccc4nc-3c2O)CC1	101912500	QJWKFLQMUUVROJ-UHFFFAOYSA-N	381.480	2.480	0	1	GEAF	
CC=C1CN2CC[C@H]1[C@](COC(C)=O)(C(=O)CO)c1[nH]c3ccccc3c1C2	2356506295	IMJLLIQUNOUJSH-XMSQKQJNSA-N	382.460	2.312	0	1	GEAF	
C[C@H]1CNC(=O)c2c(C(=O)Nc3ccc(CNC(=O)OC(C)(C)C)cc3)ncn21	61921845	CYSYAPNQBBZBGZ-LBPRGKRZSA-N	399.451	2.465	0	3	GEAF	
COc1ccc(CN2CCC[C@H](O)[C@@H](NC(=O)c3ccc(OC)cc3)C2)cc1	2356825539	HEAJUTKWXWOZDG-SFTDATJTSA-N	384.476	2.459	0	1	GEAF	
CC(C)CN[C@@H]1CO[C@@H]2[C@H](Nc3nccc(-c4ccc(N(C)C)cc4)n3)CO[C@H]12	2356856261	RZHJEQPLMZYSSN-XRXFAXGQSA-N	397.523	2.402	0	1	GEAF	
O=C([C@@H]1C[C@H](Oc2ccc(F)cc2)CN1)N1CCCN(C2CCCC2)CC1	72179782	NMGQVIBOWRVISE-PMACEKPBSA-N	375.488	2.412	0	1	GEAF	
CC(=O)N1CCN(C(=O)c2cnc(N3CCCC3)nc2-c2ccc(F)cc2)CC1	82140674	KQJRUVSNKOSIMQ-UHFFFAOYSA-N	397.454	2.187	0	1	GEAF	
Cc1oc(-c2ccccc2)nc1CCNC(=O)c1c(C(=O)N2CCC2)cnn1C	144082769	CCZICQQYATXFAI-UHFFFAOYSA-N	393.447	2.202	0	1	GEAF	
CCNC(=O)Nc1ccc(-c2nc(N3CCOC[C@@H]3C)c3c(ncn3C)n2)cc1	96283262	VNORXAXGKIUEIT-ZDUSSCGKSA-N	395.467	2.397	0	1	GEAF	
CC(=O)N1[C@@H](CO)[C@@H](c2ccccc2)C12CN(C(=O)Nc1ccccc1F)C2	95794562	ZJGXAGIMFGTWDO-RBUKOAKNSA-N	383.423	2.419	0	1	GEAF	
CCN(CC)S(=O)(=O)N1CCC[C@@H](c2nccn2Cc2ccncc2)C1	95525490	DTWPDZQKBJTFAR-QGZVFWFLSA-N	377.514	2.092	0	1	GEAF	
O=c1cc(OC[C@H](O)CN2CCN(c3ccc(F)cc3)CC2)c2ccccc2o1	299837284	PUBFVCPTKNRBGA-GOSISDBHSA-N	398.434	2.494	0	1	GEAF	
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(C(C)=O)[C@@H](C)C3)c(F)c21	653687491	WETNGDSQXSOENZ-JTQLQIEISA-N	393.390	2.055	0	1	GEAF	
C[C@H]1Cc2cc(Br)c(F)cc2C2(C=C(C(=O)O)OC(C(=O)O)=C2)N1	587831765	IQQNJKDUXBKNBH-ZETCQYMHSA-N	398.184	2.285	0	1	GEAF	
CCC(=O)N[C@@H](O)[C@@]1(c2ccc(C)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	587430096	RBYUVSJSBOLZRZ-XGRCMKMKSA-N	381.428	2.491	0	1	GEAF	
Cn1cc2c(n1)CCC[C@@]21N[C@@H](C(=O)O)Cc2cc(OC(F)(F)F)ccc21	962631554	KZXKJTYLKOSZOS-WBVHZDCISA-N	381.354	2.498	0	1	GEAF	
O=C(O)c1cn(C2CC2)c2c3c(c(F)cc2c1=O)N1CCC[C@H]1C[S@@](=O)C3	113151624	ZAULWXLIJFMPGD-RNUGCUGFSA-N	390.436	2.405	0	1	GEAF	
NC(=O)c1cc(F)cc2[nH]c(C(=O)N3CCC(NC4CCCCC4)CC3)nc12	1772585971	JKAHAAKUCDSUBE-UHFFFAOYSA-N	387.459	2.328	0	1	GEAF	
CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCNC(=O)NC(C)=O	169321443	AXOIBNYUGOHCCQ-GHSLCJJXSA-N	394.512	2.232	0	1	GEAF	
O=C1[C@@H]2CCCN2C(=O)c2sc(N3CCOCC3)nc2N1Cc1ccccc1	1857586611	HEATYCMJEQQSNV-HNNXBMFYSA-N	398.488	2.131	0	1	GEAF	
CCc1ccc(Cc2cc3c(cc2C)CO[C@]32O[C@H](C)[C@@H](O)[C@H](O)[C@H]2O)s1	1857606771	HBMOZWXKIRNKRZ-JLBFBPAZSA-N	390.501	2.394	0	1	GEAF	
CCN(CC)S(=O)(=O)N1CCC(C(=O)N[C@@H](C)CCc2ccccc2)CC1	4103874	VSWLWMVDNYHLAG-KRWDZBQOSA-N	395.569	2.423	0	3	GEAF	
Cc1c(N2C[C@H]3C[C@@]3(N)C2)c(F)cc2c(CN)c(Cl)c(=O)n(C3CC3)c12	1911586336	UALCDBWEERFPLS-GIGQVBGESA-N	376.863	2.433	0	1	GEAF	
Cc1ccc(-c2nc(NC(=O)CN3CCN(C)CC3)cc(-c3nccs3)n2)o1	23360523	RSXYRGSDOLORMR-UHFFFAOYSA-N	398.492	2.354	0	1	GEAF	
COc1cc(C=CC(=O)NCCCCNC(=O)c2ccc(O)cc2)ccc1O	2356634879	PPNWOBAJODZQIL-UHFFFAOYSA-N	384.432	2.446	0	1	GEAF	
CC=C1CN(C)CC[C@@]23C(=O)C[C@H]1[C@@H]1CO[C@H](OC)C(=O)N(c4ccccc42)[C@@H]13	2356636567	MHRUSPYZNNVVHC-FMLYYQKQSA-N	396.487	2.129	0	1	GEAF	
COC(=O)c1ccc2c(-c3ccnc(NCCN4CCOCC4)n3)c[nH]c2c1	72107160	ONQZNKLIEZTNIM-UHFFFAOYSA-N	381.436	2.156	0	1	GEAF	
NC(=O)c1cncc(-c2cnc(Nc3cc(N4CCOCC4)ccn3)s2)c1	34839061	QIMWDPQUOYIAAE-UHFFFAOYSA-N	382.449	2.279	0	1	GEAF	
O=C(C1CC1)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(-c3ccccc3F)cc1)[C@@H]2CO	95797498	QETWDIOFYADYNM-URVUXULASA-N	394.446	2.400	0	1	GEAF	
Cc1ccc2c(-c3cnc4[nH]cc(C(=O)N[C@@]5(C)CCNC5)c4n3)nn(C)c2c1	95604761	MNULNRKCIHEFMM-NRFANRHFSA-N	389.463	2.302	0	1	GEAF	
CCn1cc(Br)c(Cc2nc3cc4c(cc3[nH]2)OCC(=O)N4)n1	587000308	LJFBFVPUZIJRSZ-UHFFFAOYSA-N	376.214	2.464	0	1	GEAF	
CCC[C@H](C(=O)OCC)[C@]1(C(=O)OCC)c2ccsc2CCN1C(N)=O	962720874	YHYONENNJMHKCK-ACJLOTCBSA-N	382.482	2.423	0	1	GEAF	
CC(C)S(=O)(=O)c1c(Cl)ccc(NC(=O)N[C@@H]2CCN(C)C2)c1O	1772619149	GCCWSIGQZINSGP-SNVBAGLBSA-N	375.878	2.053	0	1	GEAF	
c1cnc(Nc2ncnc3ccc(-c4nccc(N5CCOCC5)n4)cc23)nc1	1857749253	AAFSIPPWGBQMKB-UHFFFAOYSA-N	386.419	2.457	0	1	GEAF	
CC(C)CC(=O)O[C@@H]1C[C@H]2C[C@H](OC(=O)[C@@H](CO)c3ccccc3)C[C@H]1N2C	2356331883	UOEYCNAEZZOSJM-LCWAXJCOSA-N	389.492	2.499	0	1	GEAF	
COC(=O)[C@@H]1C[C@@]23CCCN4CC[C@@]5(c6cccc(OC)c6N(C=O)[C@]15CC2)[C@@H]43	4896086	NJLKGEGVAFDBDJ-NNNCCGCYSA-N	396.487	2.489	0	1	GEAF	
O=C(O)c1cn(-c2nccs2)c2nc(N3CCSCC3)c(F)cc2c1=O	27635345	JTVGUALWYRMGPY-UHFFFAOYSA-N	392.437	2.233	0	1	GEAF	
CN[C@H](C)C(=O)N[C@@H](C(=O)N[C@@H](C)C(=O)Nc1cccc2ccccc12)C(C)C	61925525	JSZPIOJRNMIRQD-ZRGWGRIASA-N	398.507	2.032	0	3	GEAF	
COc1ncc(Nc2ncc([C@@H](C)CO)cc2-c2nc(C)nc(N)n2)cc1F	113238321	JCDSCTRINIXUJR-VIFPVBQESA-N	385.403	2.206	0	1	GEAF	
O=C(Nc1ccccc1)[C@@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(C2(O)CCCC2)nn1	2356821429	GANPCIMBUIBMPK-QXAKKESOSA-N	395.507	2.389	0	1	GEAF	
COCCC(C)(C)C(=O)Nc1cc(C)c(C)c(S(=O)(=O)N2CCOCC2)c1	45393011	YRTVHZBQEHZOIM-UHFFFAOYSA-N	398.525	2.326	0	1	GEAF	
COC(=O)c1c2ccoc3c-2c2c1[C@]1(O)C[C@H]4N(C[C@@H](CC3)[C@@]24C)C[C@@H](C)C1=O	238785177	BXJHWSRWRXDUSI-GBQMJEFXSA-N	395.455	2.485	0	1	GEAF	
COc1ccc2c(c1)N(C(C)=O)[C@H]1[C@@H]3CO[C@H](C)[C@@H]4CN(C)CC[C@]21C(=O)C[C@@H]43	238757484	ZUJJZOJTEAXULI-ZYQOLFEASA-N	398.503	2.244	0	1	GEAF	
Cc1ccccc1S(=O)(=O)CC(C)(C)CCCOCn1ccc(=O)[nH]c1=O	96172788	JLEWBDXXFFFBOK-UHFFFAOYSA-N	394.493	2.099	0	1	GEAF	
O=C(NCCCCN1CCN(c2ncccn2)CC1)c1cc2ccccc2cn1	299830383	IKIWWXGJBAISGP-UHFFFAOYSA-N	390.491	2.357	0	1	GEAF	
O=C1Cc2c3c(n(CC4CCN(Cc5ccc(F)cc5)CC4)c2O1)OC(=O)C3	587946046	IOPVINSRSNFZCR-UHFFFAOYSA-N	384.407	2.462	0	1	GEAF	
COc1ccc([C@H](O)[C@H](CO)Oc2ccc(/C=C/CO)cc2OC)cc1OC	200626178	GAYRERFQJBZHBH-OFSRWKALSA-N	390.432	2.191	0	1	GEAF	
CC(C)[C@H](CO)NCc1nc(-c2ccc(N3CCN(C)CC3)nc2)ccc1F	204413217	NWVDJFNVRMUMCF-FQEVSTJZSA-N	387.503	2.141	0	1	GEAF	
COc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2ccc(=O)n(OC)c2)nc1	209432518	IOCCXCKDEBZNBK-WBVHZDCISA-N	394.431	2.258	0	1	GEAF	
CN1C(=O)C2=C(C1=O)N(CC(=O)Nc1ccc(-c3ccccc3)cn1)CCC2	1857628570	KQUXGSKPQHHTHK-UHFFFAOYSA-N	376.416	2.036	0	1	GEAF	
O=C(NCCOCCO)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccoc1	4055185	YAPVXSCWGNAJCZ-RDJZCZTQSA-N	378.812	2.150	0	1	GEAF	
COc1cc2c(c(O)c1OC)OC[C@H](c1cc(O)c(OC)c(OC)c1O)[C@@H]2O	2356730721	CYYLBUZNXKPWKU-ZWNOBZJWSA-N	394.376	2.047	0	1	GEAF	
O=S(=O)(c1ccc(Cl)cc1)c1n[nH]c2cc(N3CCNCC3)ccc12	64446841	KUWXIZVPIBGWKZ-UHFFFAOYSA-N	376.869	2.459	0	1	GEAF	
CCOC(=O)C1=NO[C@H](c2ccc(N3CCN(C(=O)OCC)CC3)cc2)C1	40407635	JUOQVGOUZUDCGX-KRWDZBQOSA-N	375.425	2.346	0	1	GEAF	
O=C(NC1CCCCC1)c1cc2ccccc2n(CCN2CCOCC2)c1=O	84617548	FNALEXLCSSYSEC-UHFFFAOYSA-N	383.492	2.396	0	1	GEAF	
O=C(O)C[C@@H]1C[C@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@H]2[C@H](CO)O1	95899392	NDCVSESZJQEXEJ-YMFLFHJQSA-N	390.436	2.220	0	1	GEAF	
COc1ccc(S(=O)(=O)Cc2nc3ccc(OCCN(C)C)cc3[nH]2)cc1	586921109	XVMVQGSDLVAXDF-UHFFFAOYSA-N	389.477	2.486	0	1	GEAF	
COC(=O)C(=O)C[C@]1(c2ccco2)NCCc2cc3cccc(OC)c3nc21	963051362	DRXPBRHRBOFDOC-OAQYLSRUSA-N	380.400	2.358	0	1	GEAF	
CCOC(=O)[C@]1(c2ccccn2)N[C@H](C(=O)O)Cc2c1cnc1ccccc21	963223497	AZHKALCIYRGFFZ-UWJYYQICSA-N	377.400	2.035	0	1	GEAF	
CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc([C@H](O)CN2CCCCC2)c1	1772597817	PZBKLDOCHSGKAP-QGZVFWFLSA-N	379.457	2.327	0	1	GEAF	
CC(C)(C)OC(=O)N1CCN(c2ncc(C(=O)O)c(C(F)(F)F)n2)CC1	2523409	ONXACRLZOLSZPF-UHFFFAOYSA-N	376.335	2.251	0	1	GEAF	
COC(=O)[C@@H](N)[C@@H](O)c1c[nH]c(C(=O)CC(c2ccccc2)c2ccccc2)n1	28568541	JPFRYUMQTQBRTH-PMACEKPBSA-N	393.443	2.348	0	1	GEAF	
C[C@]1(C(=O)NS(=O)(=O)c2ccccc2Cl)CCN1C(=O)c1ccccc1	61906095	LFPJLZHRXXOPSP-GOSISDBHSA-N	392.864	2.450	0	3	GEAF	
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccc(F)cc2C[C@H]1C(=O)O	26653461	BSCMXZDABPTCNN-OALUTQOASA-N	386.423	2.056	0	1	GEAF	
C[C@H]1CN(CCn2cnnn2)CC[C@@H]1N(C(=O)c1ccco1)c1ccccc1	26730044	FRHGRTAWAXPTEX-WMZOPIPTSA-N	380.452	2.324	0	1	GEAF	
CN(C)c1ccc(C(=O)N2CCN3C(=O)N(C4CCCCC4)C(=O)[C@@H]3C2)cc1	8627219	OPGIXKDSHKRSSZ-SFHVURJKSA-N	384.480	2.174	0	1	GEAF	biogenic
CC(C)(C)c1nccc(C[C@H]2[C@@H](CO)[C@@H](O)C[C@H]2NC2Cc3ccccc3C2)n1	2356716468	NLKWBQVYMKTMOF-CBPXPLCBSA-N	395.547	2.432	0	1	GEAF	
N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccnc3[nH]ccc23)CC1	64548760	ONLDNWIHOPOBAZ-QGZVFWFLSA-N	383.883	2.435	0	1	GEAF	
COc1ccc(OC)c(NC(=O)CCCN2C(=O)[C@H]3[C@@H]4C=C[C@H](C4)[C@@H]3C2=O)c1	195394748	JZNJPIJGUQTLFE-BLDHALOPSA-N	384.432	2.230	0	1	GEAF	
O=S(=O)(c1ccccc1)N1CC2(C1)[C@@H](c1ccccc1)[C@H](CO)N2CC1CC1	95667799	GHWIDDQEEQSIPI-SFTDATJTSA-N	398.528	2.300	0	1	GEAF	
Nc1c(F)cc(-c2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)cc1F	587134728	LMZACKRFGIOCKF-UHFFFAOYSA-N	394.403	2.111	0	1	GEAF	
COc1cc2nc([C@](C)(N)c3ccc(S(=O)(=O)O)cc3)[nH]c2cc1OC	586960571	ZWFWGZWQAUNTOJ-QGZVFWFLSA-N	377.422	2.049	0	1	GEAF	
COc1ccc(NS(=O)(=O)c2ccc3nc([C@H](N)C4COC4)[nH]c3c2)cc1	587256995	RKFGIGNJYWVOSD-QGZVFWFLSA-N	388.449	2.019	0	1	GEAF	
CCCCS(=O)(=O)N[C@H](c1nc2ccc(S(C)(=O)=O)cc2[nH]1)C(C)C	586933222	NWERWXFIYHGHGH-HNNXBMFYSA-N	387.527	2.383	0	1	GEAF	
CCOC(=O)CCOCCCOCCc1nc2ccc([C@@H](N)N=O)cc2[nH]1	587570007	TYSTUIFHHWCUQO-SFHVURJKSA-N	378.429	2.206	0	1	GEAF	
O=C(NC1CC1)C1CC2(C1)N[C@H](C(=O)O)Cc1cccc(OC(F)(F)F)c12	962640374	OMYLIXDQRUKDCS-FBWYHRDQSA-N	384.354	2.068	0	1	GEAF	
C[C@@](O)(C(=O)Nc1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O)C(F)(F)F	13760227	UXNTZMHQFAEHNR-MRXNPFEDSA-N	399.346	2.316	0	1	GEAF	
Cc1nn(C)c2nc3ccccc3c(CCNCCCNCCCN(C)C)c12	169329247	IZHBFRCDIIRZHH-UHFFFAOYSA-N	382.556	2.493	0	1	GEAF	
C[C@H]1COCCN1c1cc(C(C)(C)S(C)(=O)=O)nc(-c2cccc(O)c2)n1	1857584963	PLXSUCQVTUOPKE-ZDUSSCGKSA-N	391.493	2.354	0	1	GEAF	
NC(=O)[C@@H]1Cc2c(ncn2Cc2ccccc2)CN1C(=O)Nc1ccccc1	26968623	SZTPYZAXKRQVAC-IBGZPJMESA-N	375.432	2.376	0	1	GEAF	
CC(C)(C)c1ccc(S(=O)(=O)CNc2ccc(S(N)(=O)=O)cc2)cc1	28571096	CCYKOZZFYFTEIX-UHFFFAOYSA-N	382.507	2.475	0	1	GEAF	
CC(C)N1CCN(C(=O)OC2CCN(c3ccc(C(C)(C)O)cn3)CC2)CC1	223499791	SBJNCTHMBFMWES-UHFFFAOYSA-N	390.528	2.440	0	1	GEAF	
CCN1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3CCCC4)ccc2F)CC1	149180464	KJCHRTHNQHPUHE-UHFFFAOYSA-N	398.482	2.156	0	1	GEAF	
Cc1cc(N)nc(C[C@@H]2CNC[C@@H]2OCCN[C@H]2C[C@@H]2c2cccc(F)c2)c1	95588474	OPKCBCPSRYBLIJ-DBOLQNLKSA-N	384.499	2.404	0	1	GEAF	in-vitro
COc1ccc(-n2nc(C(=O)N3CCOCC3)cc2-c2ccc(Cl)cc2)nn1	96928783	LBIJWBPGGQRZHU-UHFFFAOYSA-N	399.838	2.464	0	1	GEAF	
O=C(NCc1ccc(F)cc1)[C@H]1[C@H]2C=C[C@@]3(CN(Cc4ccccc4)C(=O)[C@H]13)O2	250644863	JHYKCQQQKZVQMB-NVJIOZQYSA-N	392.430	2.424	0	1	GEAF	
CCS(=O)(=O)c1ccc2nc([C@@H]3CCCC[C@@H]3C(=O)NCCOC)[nH]c2c1	587230023	DXWMAJOXGPCBAO-CABCVRRESA-N	393.509	2.393	0	1	GEAF	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)Cn1ccccc1=O	587869802	OUZYQEPSEQEVNN-UHFFFAOYSA-N	378.310	2.475	0	1	GEAF	
COc1cc2c(cc1OC)[C@H](c1ccc(S(N)(=O)=O)cc1F)N(C)[C@@H](C)C2	962617917	CLIDWUCDQXLZRF-WLRWDXFRSA-N	394.468	2.456	0	1	GEAF	
CC(=O)c1ccccc1OC(=O)CCN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@@H]2C1=O)[C@@H]1C[C@H]31	13153462	BTBBTBLGIFDWMW-ODSSTKGDSA-N	379.412	2.238	0	1	GEAF	
CCn1ncc(-c2nc3c(N[C@H]4CCN(CC(C)C)C4=O)ncnc3n2C)c1C	1857619515	SDPIXJJMLQIKSR-HNNXBMFYSA-N	396.499	2.224	0	1	GEAF	
N[C@H](O)[C@@H]1S[C@@H](N2CCOCC2)C[C@@H]1OCC(F)(F)C1CCCCC1	1857641219	FRWMPIYMGIKTCB-ZJIFWQFVSA-N	380.501	2.028	0	1	GEAF	
CC(=O)N1CCN(c2ccc3nc(O)c(Cc4ccc(F)cc4)nc3n2)CC1	766754	VBNLZRYYEYLLKO-UHFFFAOYSA-N	381.411	2.129	0	1	GEAF	
O=C1Nc2ccc(S(=O)(=O)N3CCC[C@H]3CNc3ccccc3)cc2C1=O	3921763	UMHSZDAKIVGDNR-AWEZNQCLSA-N	385.445	2.087	0	1	GEAF	
COc1cccc(C2=NN3C(=NC(C)=C(C(N)=O)[C@H]3c3ccccc3F)N2)c1	4279784	RQDKFRBZOIBVEK-QGZVFWFLSA-N	379.395	2.271	0	1	GEAF	
CC(=O)N1CCC(N2C[C@H](F)[C@@H](OCc3nc4ccc(F)cc4[nH]3)C2)CC1	2356658424	RPRBNJVBGISHED-YJBOKZPZSA-N	378.423	2.252	0	1	GEAF	
CC[C@@H]1C[C@H]2C[C@@]3(C(=O)OC)c4[nH]c5cc(OC)ccc5c4[C@@H](O)CN(C2=O)[C@@H]13	2356785236	SALCHJKMWLNFPY-QAHYGVLTSA-N	398.459	2.281	0	1	GEAF	
CNc1nc(C)c(-c2ccnc(Nc3cccc(S(N)(=O)=O)c3)n2)s1	38224817	OTPFZAVDWPCJLJ-UHFFFAOYSA-N	376.467	2.341	0	1	GEAF	
CC[C@H](c1nnnn1C(C)(C)C)N1CCC2(CC1)C(=O)NCN2c1ccccc1	72135773	KMPMDXVVWARRNM-QGZVFWFLSA-N	397.527	2.308	0	3	GEAF	
CN(C)C(=O)OC[C@@H]1c2c[nH]nc2CCN1S(=O)(=O)c1ccc(Cl)cc1	49112387	PXZHQXQGCCNTBI-OAHLLOKOSA-N	398.872	2.049	0	1	GEAF	
CNC[C@@H]1Oc2ncc(-c3ccc(OC)cc3)cc2C(=O)N([C@H](C)CO)C[C@@H]1C	95733003	KUOLKNDJLDMVPT-MDOVXXIYSA-N	399.491	2.197	0	1	GEAF	
COc1ccc(C(=O)N2CC[C@H]3NC(=O)N(c4cccc(OC)c4)C(=O)[C@@H]32)cc1	25410362	JIDMYONQBHKTOS-QZTJIDSGSA-N	395.415	2.043	0	1	GEAF	biogenic
CC1(C)[C@H]2CC[C@H](C2)[C@@H]1OC(=O)[C@H](NC(=O)[C@@H](N)CC(=O)O)c1ccccc1	95565516	YFVRRMMIGHFGGP-WBOSRHFRSA-N	388.464	2.014	0	1	GEAF	
CCOP(=O)(NC(=S)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O)OCC	68589338	IFMWVHFZZYWDGO-OLZOCXBDSA-N	385.426	2.323	0	1	GEAF	biogenic
CCS(=O)(=O)NCCCc1nc2cccc(I)c2[nH]1	586942866	RBXKPMCCYBUNPA-UHFFFAOYSA-N	393.250	2.039	0	1	GEAF	
CC(=O)N1CCN(c2cccc(-c3cc(F)c4c(N)ncnn34)c2)C(=O)C1(C)C	1772641750	SPWDWBNBYDZNLK-UHFFFAOYSA-N	396.426	2.091	0	1	GEAF	
CC(=O)N1CC[C@]2(c3ccccc3N(C(C)=O)[C@@H]2c2ccc(O)cc2)[C@H]1C(=O)O	5602115	VAKSZXZIYLNMIF-KCZVDYSFSA-N	394.427	2.443	0	1	GEAF	
O=C([C@@H](Cc1ccccc1)N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)N1CCCCC1	13153803	IDCWDQHGUQYPDN-RMMWZPCPSA-N	378.472	2.417	0	1	GEAF	
O=c1c(Cl)c(Cl)cnn1C[C@@H](CO)NCc1cnc2ccccc2c1	169328813	ZNHLYRLAUGNJIS-ZDUSSCGKSA-N	379.247	2.249	0	1	GEAF	
C[C@@H](OCc1ccccc1)[C@@H]1NC(=O)[C@H]([C@@H](C)OCc2ccccc2)NC1=O	1857599145	TXQSDLJZBRRPJC-YKCBXCCJSA-N	382.460	2.180	0	1	GEAF	
CCCn1nc(C(=O)N(C)C)c2c1CC[C@@H](NCCc1ccc3c(c1)OCO3)C2	1857605511	BZHDWIAQIBJLOJ-MRXNPFEDSA-N	398.507	2.413	0	1	GEAF	
COC(=O)N1CCN([C@H]2CC[C@H](Nc3ncnc4ccc(C)nc34)CC2)CC1	1857609556	KVHXCCYKIHKMLM-WKILWMFISA-N	384.484	2.440	0	1	GEAF	
O=C(CC(=O)Nc1ccccn1)Nc1ccc2nc3n(c(=O)c2c1)CCCCC3	6802969	HBBKEAZABOHUHV-UHFFFAOYSA-N	391.431	2.485	0	1	GEAF	
CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)O)cc3)cc2n(CCC)c1=O	13678960	WSNQHSNCMSARBG-UHFFFAOYSA-N	385.420	2.442	0	1	GEAF	
C[C@@H](c1ccc(-c2ccc(=O)n(C)c2F)cc1)[C@H](N)C(=O)N1CC[C@H](F)C1	14947703	KDYJFWGMCRMZNU-QITLCBANSA-N	375.419	2.193	0	1	GEAF	
CC1(c2nc(-c3ccc(CNC(=O)[C@H]4NCC[C@@H]4O)cc3)no2)CCCCC1	58487802	VLRZFHKZUGFEIP-IRXDYDNUSA-N	384.480	2.297	0	1	GEAF	
CC(=O)NCSC[C@@H](CO)NC(=O)c1csc(-c2ccc(Cl)cc2)n1	82084115	DHNBEKWMNQBVSA-CYBMUJFWSA-N	399.925	2.381	0	1	GEAF	
O[C@](Cc1cn(Cc2ccccc2)nn1)(Cn1cncn1)c1ccc(F)cc1F	84634261	XFYHXHGFFRCGTD-HXUWFJFHSA-N	396.401	2.327	0	1	GEAF	
O=C(C1CC2(CCN(C3CCOCC3)CC2)C1)N1CCN2CCCC[C@@H]2C1	103243041	YEOCIYXDPIDOQT-HXUWFJFHSA-N	375.557	2.354	0	1	GEAF	
CC(C)[C@H](CO)Nc1nc(-c2ccc(C(C)(C)O)nc2)cc2ncn(C)c(=O)c12	115622587	INAULHLGFKGKIY-INIZCTEOSA-N	397.479	2.047	0	1	GEAF	
O=C(COc1ccc(Cl)cc1Cl)NN1C(=O)[C@H]2[C@@H]3C=C[C@H](C3)[C@@H]2C1=O	195501307	UXXQFUHSXRXCPI-LQNCWFGHSA-N	381.215	2.211	0	1	GEAF	
O=c1nc(O)c(/C=N\CCN2CCCCC2)c(O)n1-c1ccc(Cl)cc1	261181929	WGMKYCNJLJWVQX-NDENLUEZSA-N	376.844	2.202	0	1	GEAF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(NCC(=O)O)nc2)N1	587752578	DSQNCCMPQINWIA-ANRSDYALSA-N	395.232	2.498	0	1	GEAF	
COC(=O)[C@@H](CC(=O)O)c1cc(O)n(-c2ccnc(Br)c2)c1OC	587940854	QBBKFOHPCNLJJR-JTQLQIEISA-N	399.197	2.080	0	1	GEAF	
NC(=O)Cc1ccccc1NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccno1	1911582594	IXVKMHIJAVTBBC-KRWDZBQOSA-N	398.463	2.410	0	1	GEAF	
COC(=O)[C@]1(C)CCC[C@]2(CO)[C@@H]3C[C@]4(O)OC(=O)C=C4[C@H](C)[C@H]3CC[C@H]21	2356332077	ANVFGLCWJQWCRP-PQAKSGCUSA-N	378.465	2.182	0	1	GEAF	
CCOC(=O)C=C(C)C(=O)O[C@@H]1C[C@H]2C[C@H](OC(=O)C=C(C)C)[C@@H](C1)N2C	2356541581	LTHNNGQCWYQQLA-HZMVEIRTSA-N	379.453	2.152	0	1	GEAF	
Cn1c(C(=O)O)c(CC(=O)NC[C@@H]2COc3ccccc3O2)c2ccccc21	2456258	LBXWIPVVVJFNIP-CYBMUJFWSA-N	380.400	2.375	0	3	GEAF	
COc1ccc(-c2oc3c(c2C(=O)OCCO)[C@@H](OCCO)CCC3)cc1	95601679	WOBXDVIWBGZJIT-HNNXBMFYSA-N	376.405	2.491	0	3	GEAF	
COCCC(=O)N[C@@H]1CC[C@]2(C)CC[C@H]([C@H](C)C(=O)NC(C)C)[C@H](O)[C@@H]2[C@H]1C	2356321627	GNYWSBGVOXZDEV-FKCLDPJRSA-N	396.572	2.492	0	1	GEAF	
COCCC(=O)N[C@@H]1CC[C@]2(C)CC[C@H]([C@H](C)C(=O)NC(C)C)[C@H](O)[C@H]2[C@H]1C	2356321628	GNYWSBGVOXZDEV-NZBOVIOPSA-N	396.572	2.492	0	1	GEAF	
O=C1CO[C@@H]2CN(c3nccc(C(F)(F)F)n3)C[C@@H]2N1Cc1ccc(F)cc1	2356286447	VQZCWZVPBDWFAP-UONOGXRCSA-N	396.344	2.251	0	1	GEAF	
COC(=O)[C@H]1C[C@@H](O)C[C@@H]2[C@@H]1C(=O)C[C@@H]1C(=O)O[C@H](c3ccoc3)C[C@]12C	100780946	LPHWMSVPEOJPHG-VTSNHNGQSA-N	376.405	2.039	0	1	GEAF	endogenous,in-man
COc1cc2nc(N3CCN(C(=O)c4ccco4)CC3)cc(N)c2cc1OC	25984910	GYAUHKHLMYZHEM-UHFFFAOYSA-N	382.420	2.390	0	1	GEAF	
CCNC(=O)c1ccc(C)c(N2C[C@H]3N=C(NC4CCCC4)S[C@@H]3C2=O)c1	29041471	RSSZRZUNYKIVBY-WBVHZDCISA-N	386.521	2.464	0	1	GEAF	
CN(CC[C@@H]1CC[C@@H](O)[C@H](C(=O)NC2CCCCC2)O1)Cc1cccnc1	2356856018	RVSVDDLHJYAACK-XUVXKRRUSA-N	375.513	2.261	0	1	GEAF	
O=C1[C@@H]2CCSN2C(=O)N1CCCCNC[C@@H]1CCc2ccccc2O1	73258618	DEWXSEHWONWXIE-HOTGVXAUSA-N	375.494	2.435	0	1	GEAF	
Cc1ccncc1C(=O)N1CCN(C(=O)C(=O)c2c[nH]c3ccccc23)CC1	45257913	WGVIRFKGSXCODH-UHFFFAOYSA-N	376.416	2.039	0	1	GEAF	
C[C@@H]1CCN(C2CC2)S(=O)(=O)c2c(cccc2N2CC[C@@H](N(C)C)C2)O1	96019146	OXZBMKWGFZQPQM-GDBMZVCRSA-N	379.526	2.151	0	3	GEAF	
COC(=O)COc1cc(C)c(C(=O)Oc2cc(C)c(C(=O)O)c(O)c2)c(O)c1	238735103	OGBUQIHRTOCMOT-UHFFFAOYSA-N	390.344	2.184	0	1	GEAF	
CC(=O)c1ccc(NC(=O)O[C@@H]2CO[C@@H]3[C@@H](NCc4ccco4)CO[C@@H]23)cc1	25407971	DYYBIHOHWKCXMM-MANSERQUSA-N	386.404	2.355	0	1	GEAF	biogenic
CNC[C@H]1Oc2ncc(-c3ccc(C)cc3)cc2C(=O)N([C@H](C)CO)C[C@H]1C	95709566	JKHLNYMUPUVSIB-JXXFODFXSA-N	383.492	2.497	0	1	GEAF	
NC(=O)NCC(=O)NC[C@H]1Cc2cccc(-c3ccccc3C(F)(F)F)c2O1	12281475	XYRWUDYROZOTPH-GFCCVEGCSA-N	393.365	2.460	0	1	GEAF	
COc1ccccc1-c1cccc(N2CCN([C@@H]3CCN(C#N)C3)S2(=O)=O)c1	1857615216	OYOQYOBRDLWUEU-GOSISDBHSA-N	398.488	2.284	0	1	GEAF	
COc1ccc(NC(=O)N2CCN(c3[nH]c(=N)nc4scnc34)[C@H](C)C2)cc1	1857646384	KZIBRANFIUFCCY-LLVKDONJSA-N	399.480	2.250	0	1	GEAF	
COc1c(F)c(N2CCN(C)CC2)c(F)c2c1c(=O)c(C(=O)O)cn2C1CC1	29392181	WEVANTRLPGIAPD-UHFFFAOYSA-N	393.390	2.073	0	1	GEAF	
CN(C[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)C(=O)C(=O)N2)c1ccccc1	26147941	FQCPNKOAAITTSG-HNNXBMFYSA-N	399.472	2.111	0	1	GEAF	
COC1=C(OC)[C@@H]2C(=O)O[C@H]([C@@H]3c4cc5c(cc4CCN3C)OCO5)[C@@H]2C=C1	2356640463	CRAVBINFWZGLSC-WSFKTYETSA-N	385.416	2.176	0	1	GEAF	
COc1cc2ncnc(N3CCN(CC(=O)OC(C)(C)C)CC3)c2cc1OC	28824579	ZEFUQZMFUXFHHL-UHFFFAOYSA-N	388.468	2.111	0	1	GEAF	
COc1ccc2c(c1)OC[C@H]1[C@@H]2N2C(=O)CNC(=O)[C@@]2(C)[C@H]1c1ccccc1	36388996	HCYQBHOYSQWDID-CJXUKZFBSA-N	378.428	2.259	0	3	GEAF	
CCCS(=O)(=O)NC(=O)[C@@]1(C)CCCN(C(=O)/C=C/c2ccccc2)C1	61925664	VECPRCRRRZJAJO-VYENPZKTSA-N	378.494	2.185	0	3	GEAF	
NC(=O)c1cccc2[nH]c(C3CCN(S(=O)(=O)c4ccccc4)CC3)nc12	40862452	LWYGAYYSBCIGHJ-UHFFFAOYSA-N	384.461	2.230	0	1	GEAF	
COc1cc(OC)c(/C=C/S(=O)(=O)Cc2ccc(OC)c(N)n2)c(OC)c1	146219971	SUVXJIREQOOYGN-BQYQJAHWSA-N	394.449	2.284	0	1	GEAF	
C[C@@H]1CCN(C2CC2)S(=O)(=O)c2c(cccc2N2CC[C@H](N(C)C)C2)O1	96019145	OXZBMKWGFZQPQM-ZBFHGGJFSA-N	379.526	2.151	0	3	GEAF	
COc1cc(C(=O)n2nc(Nc3ccc(F)cc3)nc2N)cc(OC)c1OC	299829964	UDWKTSDVFYGHGF-UHFFFAOYSA-N	387.371	2.457	0	1	GEAF	
CCOC(=O)C[C@@H](C(=O)OCC)[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	587442515	PIGWDILFJCUIHP-LAPQFRIASA-N	376.405	2.334	0	1	GEAF	
Cc1cc([C@H]2CCN(C(=O)OC3[C@H]4CC5C[C@H]3CC(C(N)=O)(C5)C4)C2)nn1C	1772570087	ODESRWWBUSTUBO-YDXKZDGZSA-N	386.496	2.335	0	1	GEAF	
CCOC(=O)[C@@H]1[C@H](c2ccccc2)C[C@@H]2[C@@H](NC(=O)c3ccccc3)C(=O)N12	169302798	OIQHMRNJBRQMSA-MANSERQUSA-N	378.428	2.115	0	1	GEAF	
COC(=O)c1c[nH]c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2c1=O	4660566	IXHRJZCIFZIKNV-UHFFFAOYSA-N	378.450	2.268	0	1	GEAF	
C[C@H]1COC[C@H](C)N1c1nc2c(C(=O)N[C@@H]3CN4CCC3CC4)cccc2o1	64539326	ABIDZKZAFOTHFB-GRDNDAEWSA-N	384.480	2.265	0	1	GEAF	
C[C@H]1C[C@@H](C)CN1C[C@@H](O)CNS(=O)(=O)c1cccc(Cl)c1Cl	28892144	OLWHNGIYJGTQGH-WOPDTQHZSA-N	381.325	2.363	0	1	GEAF	
O=C1C(=O)N(CCN2CCOCC2)[C@@H](c2ccccc2)[C@@H]1C(=O)c1cccs1	110684235	SKNWNDQUULIBLE-MSOLQXFVSA-N	398.484	2.032	0	1	GEAF	
O=C(C=Cc1ccc(O)cc1)OC[C@H](CO)OC(=O)C=Cc1ccc(O)cc1	2356537683	BGQSICSUVXWPAE-IBGZPJMESA-N	384.384	2.272	0	1	GEAF	
CC[C@@H]1[C@@H]2CCCCN3[C@H]([C@@H]4C[C@H](C)C(=O)O4)CC(=O)[C@]4([C@H](C)C(=O)O[C@H]14)[C@H]23	2356814045	BXBKJAZWAYNGDP-HYQLKJKWSA-N	389.492	2.338	0	1	GEAF	
CC1(C)O[C@@]2([C@H]3C[C@@H](CC4=CN[C@@H](N)C=C4)C[C@@H](CO)C3)CC[C@H]1[C@H](N)C2	2356852307	QOZQVKRYSUICKL-POJIZZPGSA-N	375.557	2.404	0	1	GEAF	
COc1cccc(OC)c1OC(=O)[C@@H](CC(=O)N1CCCC1)N1CCCC1	40632437	WYFQVLGJZOTYBV-OAHLLOKOSA-N	376.453	2.086	0	1	GEAF	
Nc1cccc2c1nc(-c1ccc(P(=O)(O)O)o1)n2Cc1cccc(O)c1	45335014	KVMRWXCAEUMEKD-UHFFFAOYSA-N	385.316	2.435	0	1	GEAF	
CCOC(=O)/C=C\CNC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C	49067016	SCALKQFCRKPIFW-HMWXGYMHSA-N	376.453	2.358	0	1	GEAF	
C[C@@H]1CC[C@@]2(O)[C@@]13CC(=O)[C@@]1(C)[C@@](OC(=O)c4ccccc4)(OC[C@]21C)[C@H]3O	257389518	BRRTVYWNYBLCAX-YVFWETSISA-N	386.444	2.077	0	1	GEAF	
NS(=O)(=O)c1c[nH]c(-c2nc3ncc(Br)c(Cl)c3[nH]2)c1	586930829	ZETWIQLHGBFYJW-UHFFFAOYSA-N	376.623	2.016	0	1	GEAF	
Cc1cccc2[nH]c(-c3nn(CC(=O)O)cc3I)nc12	587186569	ZEOFBRURHQTDGM-UHFFFAOYSA-N	382.161	2.424	0	1	GEAF	
COc1ccc(S(=O)(=O)N[C@H](c2nc3ccc(F)c(F)c3[nH]2)[C@H](C)O)cc1	586939552	WFSKDLOTCRGTQE-VFZGTOFNSA-N	397.403	2.250	0	1	GEAF	
O=C(Cc1csc(N2CCOCC2)n1)n1ncc2ccc(Cl)cc2c1=O	587654564	ULONCCPXWUTVOL-UHFFFAOYSA-N	390.852	2.226	0	1	GEAF	
Cc1ccnc2c1CCN[C@]21C=C(CN2CCc3ccccc3C2)OCC1=O	963075256	RPWPDNWRTIZPKP-QHCPKHFHSA-N	375.472	2.273	0	1	GEAF	
COc1cc(C(=O)O[C@@H]2C[C@H]3C[C@@H](OC(C)=O)[C@@H](C2)N3C)cc(OC)c1OC	14590273	WJICHKNOWJBIKJ-ZJIFWQFVSA-N	393.436	2.036	0	1	GEAF	biogenic
C[C@@](O)(C(=O)Nc1ccc(S(=O)(=O)c2cncs2)cc1)C(F)(F)F	13760244	VFBGBNVAOFVHRV-GFCCVEGCSA-N	380.369	2.228	0	1	GEAF	
O=C1COCc2ccc(-c3ccc4c(c3)OCO4)cc2N1CCN1CCOCC1	206018663	VXCIXAXLUGZCDU-UHFFFAOYSA-N	396.443	2.278	0	3	GEAF	
COCCN(CCOC)C(=O)c1ccc(NC(=O)N2Cc3cccnc3C2)cc1	167700262	AEAONVIGQCSUTL-UHFFFAOYSA-N	398.463	2.364	0	1	GEAF	
O=c1oc2cc(S(=O)(=O)Nc3ncns3)ccc2n1Cc1ccccc1	205454808	HMJMQGPOPAKICS-UHFFFAOYSA-N	388.430	2.295	0	1	GEAF	
COc1cc(C[C@@H]2C(=O)OC[C@H]2[C@H](O)c2ccc(OC)c(OC)c2)ccc1O	257654539	YDYHLKYAFOTIKL-BXTJHSDWSA-N	388.416	2.483	0	1	GEAF	
Cn1cnc(S(=O)(=O)NCc2cccc([C@H](CN)Cc3ccccc3)c2)c1	114245182	BRSSHYRDXFAGBU-IBGZPJMESA-N	384.505	2.184	0	1	GEAF	
COC(=O)/C=C/C/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)Oc1ccccc1	27619607	WVJHPBVCYBOBMF-IQIVORBOSA-N	388.460	2.364	0	1	GEAF	
O=C(O)CCC(=O)N1CCC(NC(=O)NC23CC4CC(CC(C4)C2)C3)CC1	36330651	IRTMVJNCMPHILQ-UHFFFAOYSA-N	377.485	2.110	0	1	GEAF	
COc1c(N2CCNCC2)c(F)cc2c(=O)c3c(O)nsc3n(C3CC3)c12	35075809	LRIHMVWDTGSVKD-UHFFFAOYSA-N	390.440	2.209	0	1	GEAF	
COc1cccc(CC(C)(C)NC[C@@H](O)c2cc(O)cc3c2OCC(=O)N3)c1	45388610	DTNVYZQGITUDPJ-GOSISDBHSA-N	386.448	2.376	0	1	GEAF	
CCOC(=O)CN1CCN(c2ncc(C)c(NCc3ccccc3OC)n2)CC1	82203872	DVAIZWKGXVYRGL-UHFFFAOYSA-N	399.495	2.091	0	1	GEAF	
O=C(c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1)N1C[C@@H]2CCO[C@@H]2C1	146555314	DDROWFUGYPOEDL-XJKSGUPXSA-N	379.407	2.187	0	1	GEAF	
Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4ccccc4-n4nccn4)C[C@@H]32)n1	145732970	GCJLLSZIAIAWSK-LPHOPBHVSA-N	389.463	2.025	0	1	GEAF	
COc1ccc([C@H](O)[C@H](CO)Oc2ccc(/C=C\CO)cc2OC)cc1OC	238782787	GAYRERFQJBZHBH-OPFHAPIQSA-N	390.432	2.191	0	1	GEAF	
CC(=O)[C@H](CC(=O)O)[C@@H]1C[C@H]2c3c(c4ccccc4n3C)C[C@@H]([C@@H]1CO)N2C	299836210	MWFHBQDCJDLLJP-QHOFPYNOSA-N	384.476	2.384	0	1	GEAF	
CC(C)(C)NC[C@H](O)COC[C@H]1CN=C(Nc2c(Cl)cccc2Cl)N1	13446512	XOVQKTDCYQAFMK-NEPJUHHUSA-N	389.327	2.499	0	1	GEAF	
CCCC[C@H](CN(O)C=O)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N(C)C	13537091	WYRIJXVSXCBBBR-WBVHZDCISA-N	397.903	2.110	0	1	GEAF	
Cc1ccc(CNC(=O)C[C@H]2N=C3c4ccccc4NC(=S)N3C2=O)cc1	2966934	UCPROVMQTQBZHD-MRXNPFEDSA-N	378.457	2.369	0	3	GEAF	
O=C1N=C(O)C2(C(=O)N1)[C@@H](c1cccs1)NC(=O)N[C@H]2c1cccs1	4148161	OUEWNGCZNHFQJF-AOOOYVTPSA-N	376.419	2.098	0	1	GEAF	
Nc1c(C(=O)NCc2cccs2)nnn1CC(=O)Nc1ccccc1Cl	4971881	QPKNHDQLJUFLDF-UHFFFAOYSA-N	390.856	2.144	0	1	GEAF	
CN(C[C@H](O)CNCc1ccccc1)S(=O)(=O)c1cccc2cnccc12	29129809	GWRVRMFIZBEPTL-GOSISDBHSA-N	385.489	2.006	0	1	GEAF	
C[C@]1(C(=O)NS(=O)(=O)C2CC2)CCCN(C(=O)CSc2ccccc2)C1	61925740	XBOVGUUTOCBLDD-SFHVURJKSA-N	396.534	2.016	0	3	GEAF	
CC=C(C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(O)C[C@@H]2CCC[C@@H](C(=O)OC)[C@@]21C	2356691740	VOOSWNHYYIUCGL-WCBOTQMXSA-N	392.448	2.426	0	1	GEAF	
CCOC(=O)Nc1cc(N[C@@H](C)[C@@H](O)COc2ccccc2)c(N)c(N)n1	27196346	QHSMGQXDRPDLAM-FZMZJTMJSA-N	375.429	2.055	0	1	GEAF	
O=C(Cc1cccs1)N[C@@H]1CO[C@H]2[C@@H](n3cc(-c4ccccc4)nn3)CO[C@@H]21	2356836492	LBCMWAWSWDTUFN-BWPNAZKDSA-N	396.472	2.073	0	1	GEAF	
CCCn1c(=O)c(NCc2ccc(NC(C)=O)cc2)c2n(c1=O)C[C@H](CC)N2	82227985	YQHLELHLCNLMIN-HNNXBMFYSA-N	385.468	2.195	0	1	GEAF	
CCOC(=O)c1ccc(NC(=O)Nc2ccc(OS(N)(=O)=O)cc2)cc1	84670329	KCPLKDIULNNYHQ-UHFFFAOYSA-N	379.394	2.090	0	1	GEAF	
COc1ccc(C(=O)c2[nH]c3[nH]c(=O)[nH]c(=O)c3c2-c2ccc(OC)cc2)cc1	96921758	VDAKNUJSIUYITL-UHFFFAOYSA-N	391.383	2.460	0	1	GEAF	
CN1CCN(C(=O)Nc2cc(Cc3n[nH]c(=O)c4c3CCCC4)ccc2F)CC1	149109279	IOAOTEQZCNPRHH-UHFFFAOYSA-N	399.470	2.158	0	1	GEAF	
CCCn1c(=O)[nH]c(=O)c2[nH]c(/C=C/c3cc(OC)c(OC)c(OC)c3)nc21	12405398	ALBSDLFXZHITIK-VOTSOKGWSA-N	386.408	2.019	0	1	GEAF	
O=C(CCN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C1=O)Nc1ccc(Cl)cc1O	169300909	CAXIQVSZUQAKEM-FDIQVDDWSA-N	386.835	2.427	0	1	GEAF	
FCCn1cc(-c2cc3c(-c4cccc(N5CCNCC5)n4)n[nH]c3cn2)cn1	205250381	JCWTUEMNZDIYOV-UHFFFAOYSA-N	392.442	2.263	0	1	GEAF	
Cc1ccccc1O[C@@H](C)C(=O)NN1C(=O)CC(=O)N(c2ccccc2)C1=S	1863329	CSNKEOFAOMRFPN-AWEZNQCLSA-N	397.456	2.344	0	1	GEAF	
CSCC(=O)N[C@H]1CCN2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@@H]2C1	3840330	HQSLLYQRCDZUFL-ZANVPECISA-N	385.848	2.258	0	1	GEAF	biogenic
COc1ccc(CCNC[C@H](O)COC(=O)c2ccccc2F)cc1OC	25972913	YMVQSMCQGLJHKQ-HNNXBMFYSA-N	377.412	2.193	0	1	GEAF	
O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCC(O)CC1)c1cc2c([nH]1)CCCC2	29057010	IUUMJKKIODBIMG-NRFANRHFSA-N	395.503	2.218	0	1	GEAF	
CN(C/C=C/c1ccccc1)C[C@H](O)COc1ccc(NS(C)(=O)=O)cc1	29347417	NJOSGJHFHCMWSX-AIADIJKESA-N	390.505	2.443	0	1	GEAF	
CCOc1ccc(Cc2cc([C@@H]3O[C@H](OC)[C@@H](O)[C@H](O)[C@H]3O)ccc2C)cc1	45323780	SMYUUGPPHGGHTK-AANPDWTMSA-N	388.460	2.111	0	1	GEAF	
COc1cc2nc(N3CCC[C@H](C(N)=O)C3)nc(NCC(C)C)c2cc1OC	82127670	TZLZASLCSHPWET-ZDUSSCGKSA-N	387.484	2.417	0	1	GEAF	
COc1cccc(NC(=O)N2CC3(C2)[C@H](c2ccccc2)[C@@H](CO)N3C(C)=O)c1	95796310	BMFQPRSVJKABNP-WOJBJXKFSA-N	395.459	2.288	0	1	GEAF	
CN1C(=O)[C@]2(N=C1N)c1cc(-c3cccnc3F)ccc1C[C@H]1CCOC[C@@H]12	103253272	DSYAVZFNUYSNIS-FNXXIHLHSA-N	380.423	2.079	0	1	GEAF	
CSc1ccc(C(=O)N2CC(=O)N(Cc3cccs3)C[C@@H](O)C2)cc1	105850753	DZXUIVGUSJTFGQ-CQSZACIVSA-N	376.503	2.316	0	1	GEAF	
CCN(CC)CCN1C(=O)C(=O)[C@H](C(=O)c2ccc(C)o2)[C@@H]1c1ccccn1	110929219	LWZDZFMLABTQBC-ROUUACIJSA-N	383.448	2.276	0	1	GEAF	
COc1ccc([C@@H]2CN(c3nc(-c4ccncc4)cc(=O)n3C)CCN2)cc1	116779064	UJEZKRJUBHZWII-IBGZPJMESA-N	377.448	2.002	0	1	GEAF	
O=S(=O)(c1ccc2[nH]nc(-c3ccnc(N4CCOCC4)c3)c2c1)C1CC1	225687492	AYUHTBJFJGIYCU-UHFFFAOYSA-N	384.461	2.398	0	1	GEAF	
COC[C@H](O)[C@]1(O)CC[C@]2(O)[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C	255207564	DRWYRTBGYGOFNY-PVFHHWQTSA-N	380.525	2.163	0	1	GEAF	
O=C(O[C@]12[C@@H]3[C@H]4C[C@@H]5[C@@H]3[C@]3(OCCCN31)[C@@H]1[C@H]5[C@@H]4[C@H]12)c1n[nH]c2ccccc12	299806721	NKBYXRWOKPTCIZ-LQVHLLLISA-N	375.428	2.236	0	1	GEAF	
N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2c(O)nc(O)nc2[nH]1	586999883	DVRIWSGFCRGVJP-VIFPVBQESA-N	389.213	2.250	0	1	GEAF	
N=C(N)c1ccc(C[C@@H]2OB(O)c3ccc(F)cc32)cc1OCc1cccnc1	1857549354	PMNZGHNHIJFIAX-FQEVSTJZSA-N	391.211	2.085	0	1	GEAF	
COCCN(C)c1[nH]c(=NCCc2c[nH]c3ccccc23)nc2c1ncn2C	1857603462	OLJCSESMPGKVKA-UHFFFAOYSA-N	379.468	2.004	0	1	GEAF	
CC1=C[C@H](CNC(=O)COCC(=O)O)[C@H](C(C)C)C[C@H]1CC(=O)N1CCCC1	2356300293	GLJKOEMKENEXGO-KSZLIROESA-N	394.512	2.071	0	1	GEAF	
COCC(=O)N[C@@H]1[C@H](c2cccs2)N(Cc2c(C)noc2C)CC[C@@]1(C)O	2356639904	IJAGCDROCYJMBS-IPMKNSEASA-N	393.509	2.182	0	1	GEAF	
CCOC(=O)[C@@]12CCCC3=C1N(CCC3)C(=O)[C@H]2CC(=O)N1CCSCC1	203472620	VGMUPHJVDBKSQF-FOIQADDNSA-N	392.521	2.192	0	3	GEAF	
COc1cc2c(cc1OC)[C@@H]1C[C@H]3[C@H](CCCN3S(C)(=O)=O)CN1CC2	838263	RDLZGKTWSRYHLF-PVAVHDDUSA-N	380.510	2.047	0	1	GEAF	
Cc1c(OCc2nnnn2C(C)(C)C)ccc2c(=O)cc(N3CCOCC3)oc12	3803121	JXRNUMOWILAWRS-UHFFFAOYSA-N	399.451	2.259	0	1	GEAF	
Cc1cc(NC(=O)c2ccc(S(=O)(=O)N(C)C[C@H]3CCCO3)cc2)no1	4325647	VOFKMTJHOMVZTH-CQSZACIVSA-N	379.438	2.035	0	3	GEAF	
COc1cc(C(=O)COC(=O)CNC(=O)C2CCCCC2)cc(OC)c1OC	6087245	WFZVJJRYDGJTTH-UHFFFAOYSA-N	393.436	2.135	0	3	GEAF	aggregator
CC1(C)Oc2c(O)cc([C@@H]3CC(=O)c4c(O)cc(O)cc4O3)cc2[C@H](O)[C@H]1O	59777198	UHWLHTOOVRRTDW-UCLAIMLFSA-N	388.372	2.075	0	1	GEAF	biogenic
O=C(O)/C=C/c1cccc(N2CCN(c3cccc(/C=C/C(=O)O)n3)C2=O)n1	103246186	LFSUVBZUMLHTCC-FIFLTTCUSA-N	380.360	2.119	0	1	GEAF	
C[C@@H](CCCN1C(=O)c2ccccc2C1=O)N1CCN(c2ncc(F)cn2)CC1	29462177	SSUOLEFZGDYCNS-HNNXBMFYSA-N	397.454	2.203	0	1	GEAF	
CC=C(C)C(=O)O[C@@H]1CC[C@]2(O)C[C@]3(OC)OC(=O)C(C)=C3[C@H](O)[C@]2(C)[C@@H]1C	2356445407	ATTRXTZPTLILCG-CEFYSMENSA-N	394.464	2.012	0	1	GEAF	
CN1CCN(Cc2cc(-c3ccc4c(N)cc5n[nH]c(=O)n5c4c3)cs2)CC1	84588035	UXQPQUCKOGICTL-UHFFFAOYSA-N	394.504	2.234	0	1	GEAF	
COc1ccc(C2=NC3=C4C=C(Cl)C=C[C@H]4OC(=O)[C@H]3C(NC(C)=O)=N2)cc1	45391994	WRUOGFGOQNRTMP-HZPDHXFCSA-N	397.818	2.478	0	1	GEAF	
C[C@@H](NC(=O)c1coc(-c2ccc3ccccc3c2)n1)C(=O)N1CCCNCC1	82083543	WQVOQRXMGBLMJR-OAHLLOKOSA-N	392.459	2.435	0	1	GEAF	
Cc1ccc(N2C(=O)N[C@H]3CCN(S(=O)(=O)c4ccc(C)cc4)[C@@H]3C2=O)cc1	25229482	VETJTIKUZRTXNZ-ROUUACIJSA-N	399.472	2.191	0	1	GEAF	biogenic
COC(=O)[C@]1(C)CCC[C@]2(CO)[C@H]3C[C@@]4(O)OC(=O)C=C4[C@H](C)[C@@H]3CC[C@@H]21	473144295	ANVFGLCWJQWCRP-DOAPZVFYSA-N	378.465	2.182	0	1	GEAF	
O=C(Nc1cc(Cn2c(=O)nc(O)c3ccccc32)ccc1Cl)[C@H]1CCNC1	1772617926	QYGLHLUQAADQHN-ZDUSSCGKSA-N	398.850	2.352	0	1	GEAF	
CCCn1c(=O)c2c(nc(C(C3CC3)C3CC3)n2CC(=O)O)n(CCC)c1=O	13861099	RBHXLLSXYPDIMG-UHFFFAOYSA-N	388.468	2.168	0	1	GEAF	
COC(=O)[C@@]1(C)N[C@H](c2cccc(C)c2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21	169366211	HURDXSBWLXXHCS-IDVKNYFZSA-N	378.428	2.377	0	1	GEAF	
COC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2nn(C)cc2-n2c(C)nnc21	221188347	VBPUGLCDNQPPID-ZDUSSCGKSA-N	384.827	2.418	0	1	GEAF	
NC(=O)C(F)(F)C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1	6580459	MCOPTZNLNORUTI-HNNXBMFYSA-N	376.359	2.214	0	1	GEAF	
CN(C(=O)CCC(=O)Nc1cccnc1)[C@H](CN1CC[C@H](O)C1)c1ccccc1	28704934	OAZNVARZWJKVRZ-VQTJNVASSA-N	396.491	2.067	0	1	GEAF	
O=C1C(SCCO)=C(SCCO)C(=O)N1c1cccc2ccccc12	49802884	RGUMWVLZGWKOGU-UHFFFAOYSA-N	375.471	2.376	0	1	GEAF	
CS(=O)(=O)NC1CCN([C@@H](c2ccc(Cl)cc2)c2cncnc2)CC1	72103316	WOMIMWDMMAJNPN-KRWDZBQOSA-N	380.901	2.233	0	1	GEAF	
C/C=C/c1ccc([C@H]2[C@@H](CN(C)S(=O)(=O)c3ccccc3)N[C@H]2CO)cc1	95895051	NETWDHXXCLOVFS-GAWBICCNSA-N	386.517	2.457	0	1	GEAF	
CCCCOc1nc(N)c2[nH]c(=O)n(CCCCCC3CCNCC3)c2n1	117285094	SUMKUTZWHWYBKB-UHFFFAOYSA-N	376.505	2.441	0	1	GEAF	
O=C(COc1cccc2c1CCCC2)NC[C@@H](O)CN1CCc2ccccc2C1	220015292	DYDNJWNWZWCBDY-OAQYLSRUSA-N	394.515	2.480	0	1	GEAF	
Cc1ccc(/C=C/S(=O)(=O)NCc2nc3c(S)nc(S)nc3[nH]2)cc1	586940861	IKBLTMDKFRMZTR-VOTSOKGWSA-N	393.519	2.329	0	1	GEAF	
CCOC(=O)C[C@H](C(=O)OCC)[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	587442232	PIGWDILFJCUIHP-ARGWCVDVSA-N	376.405	2.334	0	1	GEAF	
O=c1c2cc(Cl)ccc2cnn1-c1ncccc1S(=O)(=O)N1CCCC1	587655223	XFWJQAXPXVXEQW-UHFFFAOYSA-N	390.852	2.219	0	1	GEAF	
Cc1noc(C)c1CO[C@H]1CC(=O)Nc2c1c(C)nn2-c1ncnc2[nH]cnc12	1772635744	RWVFOICWOTZSKO-LBPRGKRZSA-N	394.395	2.052	0	1	GEAF	
COc1ccc2c(-c3ccccc3)cc(=O)n(Cc3nnc(S)n3N)c2c1	1857565070	BJLVPRRSUHLQFN-UHFFFAOYSA-N	379.445	2.319	0	1	GEAF	
N#CN1CC[C@@H](NC(=O)c2ccc(N3CCC(c4ccncc4)CC3)nc2)C1	1857576364	DUFRQWNYGNGNMH-LJQANCHMSA-N	376.464	2.146	0	1	GEAF	
CN1CCN(C(=O)[C@H]2CCN(c3ccc(Cl)c(C(F)(F)F)c3)C2)CC1=O	1911576731	GSWKVEFNZIDKIB-NSHDSACASA-N	389.805	2.486	0	1	GEAF	
COC(=O)C1=C2CCC3=C2[C@@]2(C1)[C@]1(C)[C@H](CC3)CN3C[C@H](C)[C@H](C[C@H]1O)[C@@]32O	2356851300	QGBNRSITTUSHFL-PDIWFIEZSA-N	385.504	2.388	0	1	GEAF	
C[C@]12[C@@H](O)C[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)C(C3=CC(=O)OC3)=CC[C@@]12O	2356399478	WRKFAUIZIHPQGB-GBWXHHRXSA-N	388.504	2.495	0	1	GEAF	
C[C@]12[C@@H](O)C[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(C3=CC(=O)OC3)=CC[C@@]12O	2356399480	WRKFAUIZIHPQGB-KVNMIPHISA-N	388.504	2.495	0	1	GEAF	
CC1=C2CC[C@]3(C[C@H](C)C(=O)O3)[C@@H]3CC[C@H]([C@@H]4C[C@@H](C)C(=O)O4)N3[C@@H]2OC1=O	2356449085	ZWFSQWLYDLATHD-YVFHKBNWSA-N	389.448	2.086	0	1	GEAF	
C[C@@H](N[C@H](CCc1cccc2ccccc12)C(=O)O)C(=O)N1CCC[C@@H]1C(=O)O	26852100	CTHFSMGTKMPAKM-NIKGAXFTSA-N	398.459	2.279	0	1	GEAF	
COC(=O)[C@@]12C[C@H]3CN(CCc4c1[nH]c1ccc(OC)cc41)[C@H]2C[C@H]3C(C)=O	2356597695	RGZDEBNWMNAFIP-ZXDPATPXSA-N	382.460	2.443	0	1	GEAF	
CC(C)=C[C@H](O)[C@@H]([C@@H](O)CCC1(C)OCCO1)S(=O)(=O)c1ccccc1	31900672	RDJDOTSCUNITOZ-OKZBNKHCSA-N	384.494	2.060	0	1	GEAF	
COc1ccc(CC(=O)Nc2nc(N(C)C)nc3nc(-c4ccco4)nn23)cc1	49067729	JLFPCGNSVPGCPV-UHFFFAOYSA-N	393.407	2.035	0	1	GEAF	
O=C(NC[C@@H]1CCCO1)C1=CNN2C1=N[C@@H](c1ccccc1)C[C@H]2C(F)(F)F	136762469	ATPTZKBZAUXFEA-IMJJTQAJSA-N	394.397	2.460	0	3	GEAF	
COC(=O)[C@]12C[C@@]3(C=CCN4CC[C@@]5(c6ccccc6N[C@@]15OC)[C@H]43)[C@H](C)O2	238758018	PWOOYNOBJFJZLT-DNIGQWJOSA-N	382.460	2.057	0	1	GEAF	
Cn1ccc2c(-c3nc(CS(C)(=O)=O)cc(N4CCOCC4)n3)cccc21	95584885	VQZZCUQFESPTMT-UHFFFAOYSA-N	386.477	2.017	0	1	GEAF	
CCOC(=O)[C@H](CCc1ccccc1)O[C@H](C)C(=O)N1CCC[C@H]1C(=O)O	253690443	FOJRYJADYAOGSC-PVAVHDDUSA-N	377.437	2.032	0	1	GEAF	
CO[C@@H]1CCN(c2cc(-c3cnc(N)c(OC(F)F)c3)nc(N3CCC3)n2)C1	653670143	JBNCCCIRNWKMII-GFCCVEGCSA-N	392.410	2.157	0	1	GEAF	
CC[C@@H]1OCCC[C@H]1c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1	586912252	NJUAPZSNBSWSMD-PBHICJAKSA-N	379.482	2.256	0	1	GEAF	
COc1cc2c3c(c1)O[C@@](CN)(c1ncn(Cc4ccccc4)c1N)[C@@H](C2)C3=O	587432282	VRTPCFJRDPLQNH-KSFYIVLOSA-N	390.443	2.124	0	1	GEAF	
O=C1[C@@H]2Cc3nc[nH]c3[C@](C3CCCC3)(C(F)(F)F)N2C(=O)[C@@H]2CCCN12	963225933	WCWCCJGBXGLZRZ-GDZNZVCISA-N	382.386	2.115	0	1	GEAF	
O=C(O)c1cccc2c1CCN[C@]21C(=O)Nc2cc(O)c(Br)cc21	963121652	KPXGRMORDWECRP-QGZVFWFLSA-N	389.205	2.194	0	1	GEAF	
CC(C)(C)OC(=O)N1CC[C@@H](C(=O)O)[C@@]2(C1)NCCc1nc3ccccn3c12	962981910	HIGQMUWUVCGNJH-RNODOKPDSA-N	386.452	2.017	0	1	GEAF	
C[C@@H]1C[C@@H](C)CN(CCCNC(=O)Cn2[nH]cc3c4ccccc4nc-3c2=O)C1	15943227	ALPZDKBCEAOYOF-HZPDHXFCSA-N	395.507	2.314	0	3	GEAF	
CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H]2CNC(=O)c1cnc2nccn2c1	205801025	XQZWWNWHRPOUQF-HNNXBMFYSA-N	385.468	2.496	0	1	GEAF	
O=C1c2cc(F)ccc2-n2c1nc1ccc(CN3CCC[C@@H]3C(=O)O)cc1c2=O	1911584492	YSICVYUWJXXHSW-QGZVFWFLSA-N	393.374	2.118	0	1	GEAF	
COc1ccc(-c2noc([C@@H]3C[C@@H](NC(=O)c4ccccn4)CN3C)n2)cc1	2356855585	RETYDXPDZURTEW-PBHICJAKSA-N	379.420	2.315	0	1	GEAF	
CC(=O)NCCNC(=O)c1cnc(N(C)CC(C)C)nc1-c1ccc(F)cc1	82141284	DSAZCNHDVYBHFR-UHFFFAOYSA-N	387.459	2.241	0	1	GEAF	
O=C(NCC(=O)N1CCCNCC1)c1coc(-c2ccc3ccccc3c2)n1	82084908	CFNQUZQJGUAXJE-UHFFFAOYSA-N	378.432	2.047	0	1	GEAF	
C/C(=C\C=C\[C@@]1(C)OC(=O)[C@]23CC=C(C(=O)O)CC[C@@]2(O)[C@H]1CC3)C(=O)O	95910338	QPFFEVMIQIJTGZ-KLPWQYALSA-N	376.405	2.211	0	1	GEAF	biogenic,in-vitro
O=S(=O)(NC[C@@H]1[C@@H](c2ccccc2)[C@@H](CO)N1CC1CC1)c1ccccc1	95895681	DZQWNXDWAYARHT-NJDAHSKKSA-N	386.517	2.204	0	1	GEAF	
CCOc1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1CN1CCOCC1	587559311	XNOAJHPTSLBIOT-UHFFFAOYSA-N	382.420	2.334	0	1	GEAF	
CC1CCC(NC(=O)CCCNS(=O)(=O)c2cccc3nsnc23)CC1	5013088	QKQYGFROJDXJNC-UHFFFAOYSA-N	396.538	2.445	0	1	GEAF	
Cc1ccc(CN2C[C@@H](c3nc(=O)c4cnc(C5CCOCC5)n4[nH]3)[C@@H](C)C2)o1	205448405	XICIHBUBEUWHBA-SUMWQHHRSA-N	397.479	2.449	0	1	GEAF	
NC(=O)[C@H](CC1CC1)NC(=O)c1ccc(Br)c(OCC2CC2)n1	207731501	YIBNRTKNLHQBAO-ZDUSSCGKSA-N	382.258	2.017	0	1	GEAF	
Cc1cccc(C(=O)NCCCCNCCCNC(=O)c2cccc(C)n2)n1	1857633522	VSHYAVKSKHVAJJ-UHFFFAOYSA-N	383.496	2.013	0	1	GEAF	
COc1ccc2c(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)CC3)c[nH]c2c1	3591473	WGHIBPXNZYOGFD-UHFFFAOYSA-N	391.427	2.344	0	1	GEAF	
COc1cc(N2CC(NC(=O)c3ccc4nc(C)c(C)n4n3)C2)c(Cl)cn1	1911582982	DWVSOJMUFNSPCE-UHFFFAOYSA-N	386.843	2.022	0	1	GEAF	
CCOC(=O)c1cccc(NC(=O)N2CCCN2C(=O)[C@@H](N)[C@@H](C)CC)c1	28127690	MCCFUJQGFNNYSR-BBRMVZONSA-N	376.457	2.218	0	1	GEAF	
OC[C@H]1[C@H](Cc2ccnc(COc3ccccc3)n2)[C@@H](NC2CCCC2)C[C@H]1O	2356616925	KZFZUSFAISIIQL-MYGLTJDJSA-N	397.519	2.488	0	1	GEAF	
O=C(O)CN1CN(Cc2cc(F)c(F)cc2F)c2ccccc2S1(=O)=O	66259878	LLGOAWWILAGUQE-UHFFFAOYSA-N	386.351	2.157	0	1	GEAF	
O=S(=O)(c1ccc2c(c1)CCNCC2)N1CC(Oc2ccc(Cl)cc2)C1	40953819	BRCOAUXQCKALMG-UHFFFAOYSA-N	392.908	2.480	0	1	GEAF	
CN(C)c1ccc(C(=O)OC[C@]2(CO)C/C(=C\c3ccncc3)C(=O)O2)cc1	45495778	PUONMCPYNHSWMF-KDHISYJLSA-N	382.416	2.066	0	1	GEAF	
COc1ccc(CCNc2nc(N3CC[C@@H](NC(C)=O)C3)ncc2C)cc1OC	82204292	WEIPXFPQJVUWGO-QGZVFWFLSA-N	399.495	2.172	0	1	GEAF	
CC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](C)[C@H](CN(C)C(=O)NC(C)C)O2	95662783	WVMKJRWCXHVTMG-UGSOOPFHSA-N	390.484	2.164	0	1	GEAF	
C/C=C/c1ccc([C@@H]2[C@H](CO)N(C(=O)Cc3ccncc3)[C@H]2CNC(C)=O)cc1	95895061	XZLFCFHMTBWLEL-CWTPCFBDSA-N	393.487	2.149	0	1	GEAF	
CCOCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2[nH]c1=O	95596856	JGLXZAUYBWNGQB-UHFFFAOYSA-N	385.395	2.125	0	1	GEAF	
Cc1cc(N)nc(C[C@@H]2CNC[C@@H]2OCCN[C@@H]2C[C@@H]2c2cccc(F)c2)c1	95588473	OPKCBCPSRYBLIJ-OTNPHJDUSA-N	384.499	2.404	0	1	GEAF	
COc1cc2c(cc1OC)[C@](O)(c1ccc3c(c1)OCO3)[C@@H](C)[C@@](C)(O)C2=O	238747817	HFVJPDBHLXAZNH-NAXFBXKKSA-N	386.400	2.252	0	1	GEAF	
CC1CCN(S(=O)(=O)N2CCC[C@H](C(=O)N[C@H]3CCCC[C@H]3C)C2)CC1	247815411	CLLHEFHZMWYOCX-SQNIBIBYSA-N	385.574	2.370	0	1	GEAF	
CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H]1CCCN(S(C)(=O)=O)C1	587872605	OAJFUKXMYOZJBZ-AWEZNQCLSA-N	395.456	2.400	0	1	GEAF	
CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2ccnc(OC)c2[nH]1	586964657	BDCMDNJLICSOSV-UHFFFAOYSA-N	384.469	2.423	0	1	GEAF	
COc1ccc(S(=O)(=O)N[C@@H](c2nc3c(Cl)ccnc3[nH]2)[C@H](C)O)cc1	586937198	LAJPRJLMGFQLIF-TVQRCGJNSA-N	396.856	2.020	0	1	GEAF	
COc1ccc2c3c1O[C@H]1C(=O)[C@@H](C)C[C@@]4(O)[C@@H](C2)N(CC2CCC2)CC[C@@]314	169304800	HQDQOBZHPVEXBG-ZIAKMJOBSA-N	383.488	2.465	0	1	GEAF	
COC1CCC2(CC1)Oc1ccc(-c3cccnc3)cc1[C@]21N=C(N)N(C)C1=O	201240909	LUHSRYIANQFCNY-UVOAEELBSA-N	392.459	2.451	0	1	GEAF	
CCN1C(=O)c2cccc3c(S(=O)(=O)N[C@H](C(=O)OC)C(C)C)ccc1c23	1857748775	RYMCILOEKAGZLD-KRWDZBQOSA-N	390.461	2.296	0	1	GEAF	
N=C(N)NC(=O)c1nc(-c2cc3ccccc3o2)c(N2CCCCCC2)nc1N	1857753264	FSPGYSVEHLETQR-UHFFFAOYSA-N	393.451	2.476	0	1	GEAF	
CO[C@@H]1CCS(=O)(=O)N(C[C@@H](O)Cn2c3ccccc3c3ccccc32)C1	148602360	BKNAJIHNTCWIDD-HZPDHXFCSA-N	388.489	2.206	0	1	GEAF	
O=C(COc1ccccc1)N1CCN2C(=O)N(Cc3ccc(F)cc3)C[C@@H]2C1	2356455494	WCURAJVNKCCVHH-SFHVURJKSA-N	383.423	2.353	0	1	GEAF	
CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cc(C)on1	101132860	VYOMLNMMWYPDOS-GFCCVEGCSA-N	398.419	2.293	0	1	GEAF	
CCCn1c(=O)[nH]c2cc(C(=O)NCCCN3CCCC[C@H]3C)ccc2c1=O	28641700	KCTUOUPGGDPLRC-OAHLLOKOSA-N	386.496	2.094	0	1	GEAF	
C[C@@H]1C=C[C@]2(C)CCCC[C@]2(C)[C@@H]1C(=O)[C@@H]1C(=O)N2CC[C@@H]3C(=O)O[C@H]1[C@]32O	2356730305	WOAILDKFDXKSIY-XDTYUFKTSA-N	387.476	2.057	0	1	GEAF	
COc1cc(-c2nc3c(c(C(C)(C)O)n2)OC[C@@H]2COCCN32)c2cc[nH]c2c1	218072919	NKUQRYRIXLCJJV-LBPRGKRZSA-N	396.447	2.459	0	1	GEAF	
COc1ccc(C=O)cc1OC[C@](O)(Cn1cncn1)c1ccc(F)cc1F	72114873	WHUHGCWAWFPMGW-LJQANCHMSA-N	389.358	2.344	0	1	GEAF	
CC1=C(C(=O)O[C@]23OC[C@@]4(C)[C@@]5(O)CC[C@@H](C)[C@@]5(CC(=O)[C@]42C)[C@H]3O)CCC1	238748831	SGFRFWVBCRSHNZ-GKRFIZMWSA-N	390.476	2.264	0	1	GEAF	
O=C(Nc1ccccc1)O[C@@H]1CO[C@H]2[C@@H](n3cc(-c4ccccn4)nn3)CO[C@H]21	25419196	FFFKGYKECKGKKA-RDGPPVDQSA-N	393.403	2.296	0	1	GEAF	biogenic
C/C=C/c1ccc([C@H]2[C@@H](CO)N(Cc3cncnc3)C23CN(C(=O)CC)C3)cc1	95794036	CMQYRAVPWCNKEL-MWAHVKNJSA-N	392.503	2.461	0	1	GEAF	
CS(=O)(=O)/C=C/c1nc2c(I)cnc(Cl)c2[nH]1	586924440	AKDBBMUVVJHYRE-NSCUHMNNSA-N	383.598	2.231	0	1	GEAF	
COc1ccc2nc(-c3nc(O)nc(O)c3I)[nH]c2c1	587182000	KLEMJDDRHWFZQT-UHFFFAOYSA-N	384.133	2.044	0	1	GEAF	
COc1ccc(S(=O)(=O)N[C@@H](c2nc3cc(Cl)ncc3[nH]2)[C@@H](C)O)cc1	586938326	QFKHEOKOLSACCI-RFAUZJTJSA-N	396.856	2.020	0	1	GEAF	
Cc1nn(-c2ncnc3[nH]cnc23)c2c1[C@H](OCCc1ccccc1)CC(=O)N2	1772588072	ONCJFFIPXHCONB-CQSZACIVSA-N	389.419	2.490	0	1	GEAF	
CN1C(=O)C=C(N2CCC[C@@H]2C(=O)Nc2ccc(-c3nccs3)cc2)C1=O	1772654092	VBAGNFROSQSPET-CQSZACIVSA-N	382.445	2.096	0	1	GEAF	
C[C@H]1CN(c2nc(N3CCOCC3)c3sc([C@H](C)O)cc3n2)C[C@@H](C)O1	1772593831	KPYIICUHFXSFAD-XQQFMLRXSA-N	378.498	2.195	0	1	GEAF	
COc1cc(/C=C/[N+](=O)[O-])ccc1OS(=O)(=O)c1ccc(C(=O)O)cc1	13823378	FMXXONPXMIWVBT-CMDGGOBGSA-N	379.346	2.409	0	1	GEAF	
COc1cccc2c1CC[C@H]1CN(CCn3c(O)nc4ccncc4c3=O)C[C@@H]21	13863025	KRBXRJXSCYGFMO-KBXCAEBGSA-N	392.459	2.168	0	1	GEAF	
CCc1ccc([C@@H]2C[C@@H](NC(=O)OC)CN(C(=O)N3CCOCC3)C2)cc1	150015408	UQEUDLUCJBFCMU-QZTJIDSGSA-N	375.469	2.215	0	1	GEAF	
N[C@H]1C[C@@H](N2Cc3cn[nH]c3C2)CN(Cc2cn[nH]c2)[C@@H]1c1cc(F)ccc1F	169701999	KJDKAFNLEFMVSD-MOXGXCLJSA-N	399.449	2.070	0	1	GEAF	
O=C(NCCO)c1cnn2ccc(N3CCC[C@H]3c3cc(F)ccc3F)nc12	169704235	XCBGRHHBQFJBBF-INIZCTEOSA-N	387.390	2.071	0	1	GEAF	
CNC(=O)Nc1cc(Oc2cccnc2)c(-c2ccc(OCCO)nc2)cn1	1857620946	HIJVQVFCIXVMMX-UHFFFAOYSA-N	381.392	2.453	0	1	GEAF	
O=C(NCc1ccco1)[C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O	781967	VWNCTUPXYXYUEH-ZRSLWSEBSA-N	390.439	2.314	0	1	GEAF	
COc1c(N2C[C@@H](C)[C@H](CN)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12	26718347	GLPYKQCLULTOBM-GHMZBOCLSA-N	389.427	2.213	0	1	GEAF	
C[C@@H]1CN(c2c(F)cc3c(=O)c(C(=O)O)cn4c3c2SCC4)C[C@@H](C)N1	27527060	XPEKUXDTZAPOHF-NXEZZACHSA-N	377.441	2.131	0	1	GEAF	
Nc1ccc2c(c1)[nH]c(=O)n2C1CCN(C[C@@H]2COc3ccccc3O2)CC1	27901040	PQAYTJWAHXYSKW-MRXNPFEDSA-N	380.448	2.389	0	1	GEAF	
O=S(=O)(Cc1nc2cc(I)cnc2[nH]1)C1CCCC1	586923937	AVKRYXGPARKCAB-UHFFFAOYSA-N	391.234	2.420	0	1	GEAF	
O=S(=O)(NCc1nc2cc(F)c(F)cc2[nH]1)c1ccc2c(c1)OCCO2	586941029	CACFKWUCILOUDJ-UHFFFAOYSA-N	381.360	2.091	0	1	GEAF	
Cc1nc(NS(C)(=O)=O)sc1-c1nc2cc3c(cc2[nH]1)NC(=O)CC3	586951018	GPPYCLRAIURXGO-UHFFFAOYSA-N	377.451	2.251	0	1	GEAF	
Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4[nH]c(=N)[nH]c(Cl)c-4n3)cc12	587037437	IUFKCGAGOJTJHX-LURJTMIESA-N	390.860	2.118	0	1	GEAF	
NC(=O)c1cc(Nc2ncnc(N3CC(Oc4ccc(F)cc4)C3)n2)ccc1F	1772641573	UTVFQVNMQYWCJF-UHFFFAOYSA-N	398.373	2.260	0	1	GEAF	
O=C(O)[C@H]1N=C(c2c[nH]c3ccc(O)cc23)c2c(O)ccc3[nH]cc(c23)[C@@H]1O	2356788612	CENUKZGRHMADRE-OALUTQOASA-N	377.356	2.398	0	1	GEAF	
C[C@H](CC(=O)Nc1cccc(F)c1)S(=O)(=O)c1ccc2c(c1)NC(=O)CO2	6930763	CGIQNSXQJPRURQ-LLVKDONJSA-N	392.408	2.348	0	3	GEAF	
COC(=O)C1=C(c2c(C)noc2C)C[C@@H]2CC[C@H]1N2C(=O)N1CCC(O)CC1	36384321	JISADTFIFSLCCE-XJKSGUPXSA-N	389.452	2.031	0	3	GEAF	
C[C@H](c1ccc(C=O)cc1)[C@@H]1[C@H]2C=C[C@H]3[N@]1[C@@]3(O)[C@@H]2[C@@H]1CC[C@H]2[C@H](CC[C@H]2O)N1	2356352676	YGJQHYAOWQXDEG-WROVUIFYSA-N	394.515	2.051	0	1	GEAF	
CC[C@H]1CN(C(=O)N2CCC(C(=O)NCCN(C)C)CC2)c2ccccc2O1	6846184	YMSRJQOCGOQMHQ-KRWDZBQOSA-N	388.512	2.174	0	1	GEAF	
NC(=O)c1ccccc1NC(=O)CN1C(=O)S/C(=C/c2ccccc2)C1=O	103275788	ITIOTLNFYIKICD-XNTDXEJSSA-N	381.413	2.461	0	1	GEAF	
N#Cc1cccc(-c2cc(NC3CC3)n3ncc(/C=C4\NC(=O)NC4=O)c3n2)c1	117822331	ZDDJUFMUPQETHV-APSNUPSMSA-N	385.387	2.023	0	1	GEAF	
O=C(N[C@H]1CCS(=O)(=O)C1)c1cc(COc2ccc3c(c2)CCCC3)on1	23153277	UBDOSBJJXQKDRL-HNNXBMFYSA-N	390.461	2.049	0	1	GEAF	
COC(=O)[C@@H]1c2ccccc2CCN1Cc1cc(C(=O)O)c(=O)n2ccccc12	66066460	GMTAYAUCMSECPU-IBGZPJMESA-N	392.411	2.270	0	1	GEAF	
Cc1nc(N)nc2c1cc(-c1cnc3[nH]ccc3c1)c(=O)n2C[C@@H]1CCOC1	117698390	OVFRALSDTFZPRQ-LBPRGKRZSA-N	376.420	2.262	0	1	GEAF	
O=C(N[C@@H]1CO[C@@H]2[C@@H](Nc3nccc(-c4ccco4)n3)CO[C@H]12)C1CCCCC1	2356809942	AUIKHVJYXPWRBI-UKBAYJJMSA-N	398.463	2.380	0	1	GEAF	
CN(C)CCOC(=O)[C@H]1CCCN(C(=O)c2coc(-c3cccs3)n2)C1	82081571	XRUNGYXMXOAAPM-ZDUSSCGKSA-N	377.466	2.360	0	1	GEAF	
CCCCNC(=O)C(=O)NCCCC/C=C\CCCCCCc1nnn[nH]1	149046711	KQFUQMQOSKJOGQ-ALCCZGGFSA-N	378.521	2.452	0	1	GEAF	
C[C@H](Nc1cc(C(N)=O)nc(-c2ccc(Oc3ccc(F)cc3)cc2)n1)C(N)=O	142361284	RGTQZYMTUVQERN-NSHDSACASA-N	395.394	2.460	0	1	GEAF	
O=S(=O)(NCc1nc2cnc3ccccc3c2[nH]1)c1ccc2c(c1)OCCO2	586941085	DVZWPRFFASVLEA-UHFFFAOYSA-N	396.428	2.361	0	1	GEAF	
Cc1ccc(/C=C/S(=O)(=O)NCc2nc3cc4c(cc3[nH]2)OCC(=O)N4)cc1	586941190	QOCUELFYTQAUGX-VOTSOKGWSA-N	398.444	2.293	0	1	GEAF	
COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2ccc(N3CCN(C)CC3)cc2[nH]1	587230849	NMBOVTLTXSXTAP-MSOLQXFVSA-N	399.539	2.351	0	1	GEAF	
O=C(Nc1ccccc1)[C@H]1Cc2cc(Br)cc3[nH]c(=O)c(=O)n1c23	13739777	RIGJBTNFORAXLC-CYBMUJFWSA-N	386.205	2.188	0	1	GEAF	
COc1cc2nc(N3CCN(OCc4ccccc4)CC3)nc(N)c2cc1OC	13782862	IJKMIKFXTRSWDR-UHFFFAOYSA-N	395.463	2.483	0	1	GEAF	
COC(=O)[C@@]1(O)C[C@]2(C(C)=O)CCCN3CCc4c(n1c1cc(OC)ccc41)[C@@H]32	14829341	JSPRBHQBWMFUOZ-HJNYFJLDSA-N	398.459	2.140	0	1	GEAF	
O=C1N[C@@H](C(=O)O)CCc2cn(cn2)C/C=C\COc2ccc(Cl)c1c2	169313430	ZFSWEKWDTCABOA-STOZHHMFSA-N	375.812	2.301	0	1	GEAF	
COc1ccc(OC)c(Sc2cnc3nnc(-n4nc(C)cc4C)nn23)c1	1857543367	ZLPRIFTZQAEVEW-UHFFFAOYSA-N	383.437	2.490	0	1	GEAF	
CCCCO[C@@H]1C[C@H](C(=O)N[C@H](CO)CC(C)C)N(C(=O)c2ccco2)C1	4545968	ZXIGQFVDVIECRX-GVDBMIGSSA-N	380.485	2.203	0	1	GEAF	
NS(=O)(=O)Cc1ccc(S(=O)(=O)Nc2cccc3c(Cl)c[nH]c23)cc1	27298658	VPXMSBPYKDFOJC-UHFFFAOYSA-N	399.881	2.411	0	1	GEAF	
C[C@H]1Cn2cc(-c3nc4c(cc3F)C(=O)[C@H](C(=O)O)CN4C3CC3)cc2CN1	45316206	JHIUYRAVYSCIGS-ZUZCIYMTSA-N	384.411	2.047	0	1	GEAF	
CO[C@H]1CCC[C@H]([C@H](C)Nc2nc(N3CCC[C@H](C(N)=O)C3)ncc2C)C1	82204036	OOFOHMVGJVOGTA-QAETUUGQSA-N	375.517	2.492	0	1	GEAF	
CNC[C@H]1Oc2ncc(-c3ccccc3F)cc2C(=O)N([C@H](C)CO)C[C@H]1C	95733796	SHRVDEFCKQVYRH-PJIJBLCYSA-N	387.455	2.327	0	1	GEAF	
O=C1[C@H]2[C@H]3CC[C@H](C3)[C@H]2C(=O)N1[C@H]1CC[C@H](C(=O)Nc2cncc(O)c2)CC1	101472775	GXAJZSQTQQZVTD-MEXLLKNGSA-N	383.448	2.316	0	1	GEAF	
COc1ccccc1CN1Cc2c(nc3cc(-c4ccco4)[nH]n3c2=O)C1=O	139888251	KMPFNKLKSSBXEC-UHFFFAOYSA-N	376.372	2.447	0	1	GEAF	
N#Cc1ccc(N2CC[C@](O)(C(=O)NCc3cc(F)cc(Cl)c3)C2=O)cc1	145591985	SVXAGSRVOWQLDP-IBGZPJMESA-N	387.798	2.135	0	1	GEAF	
C[C@]12CCC[C@]3(C)C[C@H]4OC(=O)[C@@H](CN5CCC6(CC5)OCCO6)[C@H]4C[C@]13O2	299879880	LJWNZMQUYNOCJV-AWZYAKEPSA-N	391.508	2.495	0	1	GEAF	
O=[n+]1[nH]c2c(Br)cnn2c2cc(I)ccc21	377813301	UZXYZXAAMRJQQX-UHFFFAOYSA-N	391.974	2.097	0	1	GEAF	
CCS(=O)(=O)c1ccc2nc([C@H]3CCCC[C@@H]3C(=O)NCCOC)[nH]c2c1	587230024	DXWMAJOXGPCBAO-GJZGRUSLSA-N	393.509	2.393	0	1	GEAF	
CN(C)C(=O)c1ccc2c(c1)[C@@]1(CC(=O)N[C@@H](Cc3ccccc3)C1)NCC2	962927664	XABIDQBITZVMJN-WMZHIEFXSA-N	377.488	2.251	0	1	GEAF	
CCC(=O)N1CCC(Nc2ncnc3c2nc(-c2cnn(CC)c2C)n3C)CC1	1857602573	MDZFIVGZDIXRET-UHFFFAOYSA-N	396.499	2.368	0	1	GEAF	
CCCCCCN(C)CCCn1c(=O)c(=O)n(CC(=O)O)c2ccccc21	1857610856	INEQWSFZUBMHFL-UHFFFAOYSA-N	375.469	2.150	0	1	GEAF	
C[C@@H]1C=C[C@]2(C)CCCC[C@]2(C)[C@@H]1C(=O)[C@@H]1C(=O)N2CC[C@@H]3C(=O)O[C@@H]1[C@@]32O	2356730304	WOAILDKFDXKSIY-NHBPSIHJSA-N	387.476	2.057	0	1	GEAF	
COc1cc2c(cc1OC)[C@]13CCN4CC(=CCO)[C@@H](C[C@H]41)[C@H]1CCC(=O)N2[C@H]13	2356353352	MTGBFCBIKBUQGV-BROMXVHCSA-N	396.487	2.093	0	1	GEAF	
CNC[C@H](O)Cn1cc(-c2cccs2)nc1CCc1nc2cccc(C)n2n1	117849075	LMOLRTCOCOFMML-HNNXBMFYSA-N	396.520	2.328	0	1	GEAF	
COc1cc(C(=N)N)ccc1OC/C=C\COc1ccc(C(=N)N)cc1OC	29227967	MPPDVTKDCKJYHV-ARJAWSKDSA-N	384.436	2.286	0	1	GEAF	
Cn1c(N2CCO[C@@H](c3ccc(N)c(F)c3)C2)nc(-c2ccncc2F)cc1=O	113090679	XNJFDWNQAOMNHB-GOSISDBHSA-N	399.401	2.281	0	1	GEAF	
CN(C)c1ccc(-c2cnc(-c3ccc(S(=O)(=O)NCCN)cc3)o2)cc1	64625044	MYLMURYPGCSIQM-UHFFFAOYSA-N	386.477	2.312	0	1	GEAF	in-vitro
CCc1cc(C(C)=O)c(O)cc1OCc1cccc(C(=O)N[C@@H](C)C(=O)O)n1	28461477	PWGHBWNHVJNBNN-NSHDSACASA-N	386.404	2.334	0	1	GEAF	
Cn1cnc(Cn2nc3ccc(-c4ccc(OC(F)(F)F)cc4)cn3c2=O)n1	653831327	PKMGMZYOIJAWBK-UHFFFAOYSA-N	390.325	2.238	0	1	GEAF	
COC(=O)c1ccnc2[nH]c(C3=CCC(=O)N(Cc4ccc(F)cc4)N3)nc12	587162501	BZLPUWHQIGONCW-UHFFFAOYSA-N	381.367	2.162	0	1	GEAF	
CCOC(=O)c1ccc2nc([C@](C)(N)c3ccc(S(=O)(=O)O)cc3)[nH]c2c1	586959582	RXLGBOHRZKHVNC-GOSISDBHSA-N	389.433	2.209	0	1	GEAF	
Cn1nc(-c2nc3ccc(F)cc3[nH]2)c(I)c1C(=O)O	587179802	GKAQWUHIWWCVTP-UHFFFAOYSA-N	386.124	2.405	0	1	GEAF	
Nc1cc2nc([C@H](N)Cc3ccc(I)cc3)[nH]c2cn1	587185880	OTLWOGWYLMNKIL-SNVBAGLBSA-N	379.205	2.387	0	1	GEAF	
COC(=O)C1=C[C@@]23C=CCN4CC[C@@]5(c6ccc7c(c6N[C@]15CC2)OCO7)[C@@H]43	14827756	IFJMJHZFUMYZHD-DXBBTUNJSA-N	378.428	2.355	0	1	GEAF	biogenic,in-vitro
Cc1cc(=O)n2nc(N3CCC[C@@H](C(=O)N[C@H]4CCCC[C@H]4C)C3)sc2n1	15943638	AZWJXIVYDKJMKF-YUELXQCFSA-N	389.525	2.371	0	1	GEAF	
Cc1ccc(-c2nc(N3CCC(NS(C)(=O)=O)CC3)ncc2Cl)nc1	167888694	BDNGRZRQJSFVDU-UHFFFAOYSA-N	381.889	2.018	0	1	GEAF	
CS(=O)(=O)N1CCCC[C@@H](Nc2ncccc2-c2cnc3[nH]ccc3n2)C1	168988500	XNDQNBFQNOZWQD-CYBMUJFWSA-N	386.481	2.246	0	1	GEAF	
O=C(CN1C(=O)CN=C(c2ccccc2)c2ccccc21)NC[C@H]1CCCO1	4972139	NPWSREQBFSOIBV-QGZVFWFLSA-N	377.444	2.166	0	1	GEAF	
COc1cccc(N2CCN(C[C@H]3CN4C(=O)Nc5ccccc5C4=N3)CC2)c1	26286089	RFQQQVSVVJHXMB-INIZCTEOSA-N	391.475	2.494	0	1	GEAF	
CCSC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)Cc3ccccc3)C[C@@H]2S1	26390340	UXESOUSSVIJOOH-YPMHNXCESA-N	378.475	2.026	0	1	GEAF	
C[C@@H]1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1c[nH]c2ccncc12	32086503	ZWGZFELFBFJIHY-CQSZACIVSA-N	376.416	2.119	0	1	GEAF	
O=C(N[C@@H]1CCN2C(=O)N(c3ccc(F)cc3F)C(=O)[C@@H]2C1)c1cccnc1	33862720	RYBZBNBDLUGUBF-CJNGLKHVSA-N	386.358	2.089	0	1	GEAF	biogenic
CC(=O)Nc1c2n(c(=O)n(Cc3ccc(F)cc3)c1=O)[C@H](c1ccccc1)CN2	82210668	PSJCSXNDBGGDLR-KRWDZBQOSA-N	394.406	2.171	0	1	GEAF	
CCN(CC)CCN1C(=O)C(=O)[C@H](C(=O)c2ccc(C)o2)[C@H]1c1ccccn1	110929216	LWZDZFMLABTQBC-ZWKOTPCHSA-N	383.448	2.276	0	1	GEAF	
Cc1ccc(C(=O)N2[C@H]3CC[C@H]2[C@H](COc2ccccn2)C3)c(-n2nccn2)n1	226057161	VVXKPCFDPQZZBZ-BQFCYCMXSA-N	390.447	2.438	0	1	GEAF	
Cc1ccc(-c2cc(CO[N+](=O)[O-])nn2-c2ccc(S(N)(=O)=O)cc2)cc1	473105986	VWJROAKOISAIRR-UHFFFAOYSA-N	388.405	2.203	0	1	GEAF	
COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2cccc(S(N)(=O)=O)c2[nH]1	586915287	CCSMZEGWYQSAER-YJYMSZOUSA-N	385.445	2.427	0	1	GEAF	
O=C(c1cnn(-c2nc(O)c3c(n2)CCC3)c1)N1CCC(C(F)(F)F)CC1	1857597408	ULVNMFIYXMOBQH-UHFFFAOYSA-N	381.358	2.271	0	1	GEAF	
C[C@@H]1O[C@H](OCCCCCCCCCC[C@H](O)CC(=O)O)[C@H](O)C[C@H]1O	2356543797	XUIRIUDIZICRKQ-NRUGXNMXSA-N	376.490	2.206	0	1	GEAF	
COc1ccc([C@H]2OC[C@@H]([C@@H](O)c3ccc(OC)c(O)c3)[C@@H]2CO)cc1O	2356555281	PGWSIRRJBWWKAV-FOEVPDMQSA-N	376.405	2.145	0	1	GEAF	
CC=C1CN2CC[C@@]34Cc5cc(O)ccc5N(C)[C@@]35OC[C@@]4(C(=O)OC)[C@H]1C[C@@H]25	2356708295	JZRSUQHRYMVSNA-ITWTXWRJSA-N	396.487	2.311	0	1	GEAF	
CC(=O)c1ccc(NC(=O)O[C@@H]2CO[C@H]3[C@@H]2OC[C@H]3NCc2ccco2)cc1	2356819099	DYYBIHOHWKCXMM-NCXUSEDFSA-N	386.404	2.355	0	1	GEAF	
C[C@H]1C(=O)Nc2ccc(S(=O)(=O)NCc3ccc(Cl)cc3)cc2NC1=O	6817308	JPTSMERQBNPGEU-JTQLQIEISA-N	393.852	2.345	0	3	GEAF	
COc1ccc(OC)c(NC(=O)[C@@H]2Cc3ccccc3CN2S(C)(=O)=O)c1	4757817	VRBAQVZPNONIIK-KRWDZBQOSA-N	390.461	2.029	0	1	GEAF	
CCCCO[C@H]1C(=O)N2C(C(=O)OC(C)(C)C)=C(COC(C)=O)CS[C@H]12	26568892	JEGYKAJXJQHNHH-GOEBONIOSA-N	385.482	2.246	0	1	GEAF	
CCOC(=O)NC(=O)Nc1cc2c3c(cccc3c1)C(=O)N(CCN(C)C)C2=O	28712245	OFCFBKWCNQSUIG-UHFFFAOYSA-N	398.419	2.275	0	1	GEAF	
O=C(CO[C@@H]1CN(Cc2ccc(C(=O)O)cc2)C[C@@H]1F)Nc1ccccc1O	2356656542	JYLKZHYSTQFGAL-MAUKXSAKSA-N	388.395	2.268	0	1	GEAF	
Cn1c(=O)c2c(nc(CSc3ccc(Br)cc3)n2C)n(C)c1=O	84738721	HSOWNUHKXAAJKJ-UHFFFAOYSA-N	395.282	2.026	0	1	GEAF	
CCC(=O)N1CCc2c(sc3nc(-c4ccncc4)nc(NCCN)c23)C1	223689720	WPTBUTSSOIQBFD-UHFFFAOYSA-N	382.493	2.419	0	1	GEAF	
COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4ccsc4c3=O)C[C@H]21	95561262	CAEZRWQRXPFXAO-BBRMVZONSA-N	397.500	2.422	0	1	GEAF	
CC(C)NC(=O)N(C)C[C@H]1Oc2c(cccc2N(C)C)C(=O)N(C)C[C@@H]1C	95661794	DLRFYPBLXGENKV-WMLDXEAASA-N	376.501	2.272	0	1	GEAF	
O=C(NCC[C@H]1CC[C@H](NC(=O)C2CCCC2)[C@H](CO)O1)c1ccc(F)cc1	95903428	PCXDMLTYWGHPKQ-QYZOEREBSA-N	392.471	2.161	0	1	GEAF	
C[C@H]1CCCC[C@H]1C(=O)N1CCN(c2ccc(C(=O)NCCC3CC3)nn2)CC1	95593649	RIKHYRIMBJOBEB-FUHWJXTLSA-N	399.539	2.481	0	1	GEAF	
NC(=O)[C@@H]1Nc2ccccc2[C@]2(NCCc3c(Cl)cc(Cl)cc32)C1=O	963106314	KVJGKLXSZSGVKB-CRAIPNDOSA-N	376.243	2.231	0	1	GEAF	
CN1C=CC([C@H]2NC(C(F)(F)F)=CN2c2ccc(S(N)(=O)=O)cc2)C=C1	1772614151	HPDDWVAJCJTSJT-HNNXBMFYSA-N	386.399	2.062	0	1	GEAF	
O=C(c1ccccc1)N1CCN(C(=O)c2cc(=O)c3c(O)cccc3o2)CC1	13558841	YLSRWMBUMSYJJS-UHFFFAOYSA-N	378.384	2.097	0	1	GEAF	
CC(C)N(Cc1ccccc1)C[C@@H](O)COc1cccc2c1C[C@H](O)[C@H](O)C2	169319488	AMIBDMFOEUKMCC-FCEUIQTBSA-N	385.504	2.157	0	1	GEAF	
C/C=C1\CN(C)C[C@@]2(C(=O)OC)Cc3c(n(OC)c4ccccc34)C(=O)C[C@@H]12	1630579	FFGSUUFWXITFBY-AWGTZJTJSA-N	382.460	2.496	0	1	GEAF	
COc1cc(N2CCN([C@@H]3CCN(C#N)C3)S2(=O)=O)ccc1-c1ccccc1	1857541677	JZSRJYVXAOIDJE-GOSISDBHSA-N	398.488	2.284	0	1	GEAF	
Cc1cnc(C(=O)N[C@H]2CCOC[C@@H]2O)cc1Cc1ccc(-n2cccn2)cc1	1857653246	HARBEESYXGLNFQ-FPOVZHCZSA-N	392.459	2.046	0	1	GEAF	
COc1ccc2nc(COc3ccc(C[C@H]4SC(=O)NC4=O)cc3)n(C)c2n1	3824017	VPFJHPSVNYPBHL-CQSZACIVSA-N	398.444	2.450	0	1	GEAF	
COc1cc2c(cc1OC)[C@]13CCN4CC(=CCO)[C@@H](C[C@H]41)C1=CCC(=O)N2[C@H]13	2356619897	XTGYWZXUYFAABL-OYGALRCHSA-N	394.471	2.013	0	1	GEAF	
CCCNC(=O)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2C(=O)C1CCCC1	95869506	RMSYVZAQOTVHGF-MOPGFXCFSA-N	385.508	2.338	0	1	GEAF	
O=C(N[C@@H]1CO[C@@H]2[C@@H](Nc3nccc(-c4ccccc4)n3)CO[C@@H]12)c1ccco1	25429316	CWSFYVCTGMGIFW-KCITZHQASA-N	392.415	2.113	0	1	GEAF	biogenic
C/C=C1/CN2[C@@H]3C[C@@]45c6cc(OC)cc(OC)c6N[C@]4(O3)[C@@H]2C[C@@H]1[C@H]5C(=O)O	238766056	DQVHXLYSIWOSII-YNJJHYSNSA-N	384.432	2.175	0	1	GEAF	
Cc1ccnc2c(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)CC3)c[nH]c12	95594871	FNXLFBXRGZOURC-UHFFFAOYSA-N	376.416	2.039	0	1	GEAF	
Cc1nc2[nH]c(-c3cc(S(N)(=O)=O)ccc3F)nc2cc1Br	587142136	KKFBBVMTUBXFEJ-UHFFFAOYSA-N	385.218	2.482	0	1	GEAF	
COc1cc(Cl)cc(C=O)c1OCc1nc2cccc(S(N)(=O)=O)c2[nH]1	587066892	IZCPCEAHMDXQDJ-UHFFFAOYSA-N	395.824	2.264	0	1	GEAF	
COC(=O)C[C@]1(c2ccccc2OC)N[C@H](C(=O)O)Cc2cc(C)c(O)cc21	963556186	VQBKHKCJKVBQLZ-HRAATJIYSA-N	385.416	2.115	0	1	GEAF	
O=C(O)c1cccc2c1CCN[C@@H]2c1c(N2CCOCC2)nc2ccccn12	963129550	GYOWOCPLODDDEV-SFHVURJKSA-N	378.432	2.104	0	1	GEAF	
CN1[C@@H]2COC[C@H]1C[C@@H](NC(=O)c1cn(-c3ccccn3)c3ncccc13)C2	1772607255	YZXCBXVASPOZQO-PHZGNYQRSA-N	377.448	2.012	0	1	GEAF	
CC(C)c1[nH]nc2c1C(=O)c1c(NC(=O)CN3CCC(CN)CC3)cccc1-2	13492178	RABZCZVASTTWML-UHFFFAOYSA-N	381.480	2.354	0	1	GEAF	
COc1c2c(cc3c1[C@H](O)[C@@H]1COC(=O)[C@H]1[C@@H]3c1ccc3c(c1)OCO3)OCO2	2356439886	GTFKUBXSHHHPRX-NFBAFIMDSA-N	398.367	2.121	0	1	GEAF	
C[C@H](c1ccc(C=O)cc1)[C@@H]1[C@H]2C=C[C@H]3[N@]1[C@@]3(O)[C@@H]2[C@@H]1CC[C@@H]2[C@H](O)CC[C@H]2N1	2356352674	YGJQHYAOWQXDEG-FCNVXBPPSA-N	394.515	2.051	0	1	GEAF	
COc1ccc2c(C(=O)N(CC(=O)O)CC(=O)O)cccc2c1C(F)(F)F	28380526	XSRPNVSTSJFCLR-UHFFFAOYSA-N	385.294	2.479	0	1	GEAF	
CSc1c(N2CC[C@@H](N)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12	27526176	QFYIOZQQIRYIFE-SECBINFHSA-N	377.441	2.433	0	1	GEAF	
CCCC(=O)NC(C(=O)OCC)(C(=O)OCC)[C@H](C)C(=O)c1ccccc1	26660006	IBOIPPRGPSLONZ-CQSZACIVSA-N	377.437	2.287	0	1	GEAF	
CC1(C)OCCc2c1sc1c(N3CCOCC3)nc(-c3cnc(N)nc3)nc21	72316318	HCOIXYNBLGBZPJ-UHFFFAOYSA-N	398.492	2.375	0	1	GEAF	
O=S(=O)(c1ccc(F)cc1)n1c(CN2CCOCC2)nc2ccccc21	39981399	YQPFFLRFOBLRJL-UHFFFAOYSA-N	375.425	2.245	0	3	GEAF	
CS(=O)(=O)NCCOc1c(C2CCC2)ccc(-c2cnc(N)cn2)c1F	224567781	UONCMCQXJMEDQC-UHFFFAOYSA-N	380.445	2.060	0	1	GEAF	
CCC(=O)N1CCC2(CC1)CN(C(C)=O)[C@@H](CO)c1[nH]c3cc(OC)ccc3c12	95865526	WOVJOTWVLNCYMU-SFHVURJKSA-N	399.491	2.342	0	1	GEAF	
CNC[C@@H]1Oc2ncc(-c3cccc(F)c3)cc2C(=O)N([C@H](C)CO)C[C@@H]1C	95717215	PAPGUZKSUSUECO-KSMMKXTCSA-N	387.455	2.327	0	1	GEAF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)C2(O)O	587820845	FXIJHQDUMKRFCB-VVVCHXIZSA-N	392.224	2.243	0	1	GEAF	
Cc1c2c(nn1C)[C@@](CCCC(=O)O)(c1cc(F)cc(F)c1)N[C@H](C(=O)O)C2	962703493	CCRQTZQQHSZEQH-HNAYVOBHSA-N	393.390	2.104	0	1	GEAF	
COCCN1CCC(CNC(=O)c2n[nH]c3ccc(Br)cc23)CC1	205786048	AWDQJULXXOYTNC-UHFFFAOYSA-N	395.301	2.414	0	1	GEAF	
C[C@@H](n1cc(-c2ccncc2)nn1)[C@](O)(Cn1cncn1)c1ccc(F)cc1F	1857632213	UIBCZCWNYXKWBD-BFUOFWGJSA-N	397.389	2.359	0	1	GEAF	
CC=C(C)C(=O)O[C@@H]1C[C@H]2C[C@H](OC(=O)[C@@H](CO)c3ccccc3)C[C@H]1N2C	2356331742	OPGJHCLCUNWOSH-LCWAXJCOSA-N	387.476	2.419	0	1	GEAF	
COc1ccc(OC)c(NC(=O)CCCN2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)c1	4035772	JZNJPIJGUQTLFE-ATNYCFDYSA-N	384.432	2.230	0	1	GEAF	
CCOCCCNC(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N2CCCC[C@H]12	4563937	ASGQLHRVGCFUGN-VQIMIIECSA-N	390.480	2.339	0	3	GEAF	
Cc1ccc(C(=O)NCc2cc(Br)cc3[nH]c(=O)c(=O)[nH]c23)s1	27550959	IROBWCWNDSYXEA-UHFFFAOYSA-N	394.250	2.279	0	1	GEAF	
Cc1cc(OCCN2CCOCC2)nc2sc(C(=O)NC(C)(C)C)c(N)c12	64732262	GKYMJPPLQWFUJW-UHFFFAOYSA-N	392.525	2.426	0	1	GEAF	
CCCCC[C@@H](CC)SC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O	48998185	WXUYKABDZUOGQM-AJKMGBEJSA-N	395.529	2.120	0	1	GEAF	
C[C@H](Nc1nccc(N2C(=O)OC[C@@H]2[C@@H](C)O)n1)c1ncc(C(C)(C)C)cn1	221662535	MQJZMGFPYLQLOL-OUCADQQQSA-N	386.456	2.443	0	1	GEAF	
CC(C)[C@](C)(O)[C@H]1CN(c2ccc(F)c(-c3n[nH]c4ncccc34)n2)CCN1	95585675	PDSONWYECZHBAE-QRWLVFNGSA-N	384.459	2.344	0	1	GEAF	
O=C(NC1CCCCC1)O[C@@H]1CO[C@H]2[C@@H](n3cc(-c4ccccn4)nn3)CO[C@H]21	25413262	DALLJYDIRGVNDH-RDGPPVDQSA-N	399.451	2.106	0	1	GEAF	biogenic
COC(=O)c1cccc(C(=O)c2c(CO)oc3cc(Br)cnc23)n1	587276892	UCAXDAODPDFPFF-UHFFFAOYSA-N	391.177	2.495	0	1	GEAF	
Cc1cc2nc(-c3nc(O)nc(O)c3I)[nH]c2cc1F	587182594	QQTYEDPTOITWQI-UHFFFAOYSA-N	386.124	2.483	0	1	GEAF	
CN1C[C@@H](C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)CC1=O	587657269	SSQNUIZDUYQHTJ-LBPRGKRZSA-N	383.354	2.460	0	1	GEAF	
c1cc(N2CCCN(c3ccc(C4=NCCN4)cc3)CC2)ccc1C1=NCCN1	5933237	LGBPUWVGKYAELY-UHFFFAOYSA-N	388.519	2.103	0	1	GEAF	
COc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)NCCC1=CCCCC1	11813341	YOGQPJCRUPOHMS-IBGZPJMESA-N	385.508	2.392	0	3	GEAF	
C[C@H]1C[C@@]2(S(=O)(=O)c3ccccc3)ON1C[C@@H]2S(=O)(=O)c1ccccc1	17189993	FKVMUDUSITZBLP-WBAXXEDZSA-N	393.486	2.039	0	1	GEAF	
COc1ccccc1/C=c1/[nH]c(=O)/c(=C\c2cccc(Cl)c2Cl)[nH]c1=O	169348741	IMSGCWQAKDXJCM-AOEKMSOUSA-N	389.238	2.036	0	1	GEAF	
CC(C)[C@H](CO)NCc1nc(-c2cccc(S(=O)(=O)N(C)C)c2)ccc1F	204419895	QQIGNBPVKNUISP-IBGZPJMESA-N	395.500	2.245	0	1	GEAF	
CCc1c2c(nc3ccc(N)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC	3795368	ZUDVVHHNGRMBFE-QFIPXVFZSA-N	391.427	2.224	0	1	GEAF	
C[C@H]1CN(c2ncnc(-c3ccccc3)n2)C[C@@H](C)N1c1ccnc([C@@H](C)O)n1	13491423	WRTPYCJAQSNXRR-OWCLPIDISA-N	391.479	2.486	0	1	GEAF	
CC(=O)C[C@@H]1CCC(=O)CCC(=O)O[C@@H](CC(C)=O)CCC(=O)CCC(=O)O1	17221695	BANPLRUNKASJCB-HDICACEKSA-N	396.436	2.041	0	1	GEAF	
CCOC(=O)N1CC[C@@]2(C1)Nc1cc(OC)c(-c3cnco3)cc1C(=O)N2C	28529641	TYPZMHBQVZOWRQ-LJQANCHMSA-N	386.408	2.406	0	1	GEAF	
CCCn1c(=O)[nH]c2cc(C(=O)NCCCN3CCCC[C@@H]3C)ccc2c1=O	28641698	KCTUOUPGGDPLRC-HNNXBMFYSA-N	386.496	2.094	0	1	GEAF	
C[C@H]1C[C@@H](C)N(C[C@@H](O)CNS(=O)(=O)c2cc(Cl)sc2Cl)C1	28892169	MPFZBFNQYBYBCS-AEJSXWLSSA-N	387.354	2.424	0	1	GEAF	
CS(=O)(=O)CCCN1C(=O)c2ccccc2[C@@H](CC(=O)c2ccccc2)C1=O	29342434	VNYZAGJCFWQSQK-GOSISDBHSA-N	399.468	2.460	0	1	GEAF	
O=C(c1nc2ccccc2[nH]1)N1CC[C@@H](Oc2nccnc2C2=CCOCC2)C1	96168918	OLCZFKAXJUDOBK-OAHLLOKOSA-N	391.431	2.450	0	1	GEAF	
CC(=O)N1N=C(c2ccc(-n3nc(C)n(N)c3=O)cc2)C[C@H]1c1ccc(C)cc1	103220478	ZWBKTACZWQWGQI-FQEVSTJZSA-N	390.447	2.062	0	1	GEAF	
CCCCn1c(=O)c2[nH]c(I)nc2n(CCCC)c1=O	136986607	NVXIYTQSSBFAGO-UHFFFAOYSA-N	390.225	2.091	0	1	GEAF	
COc1cc(N)cnc1Nc1ccc(F)c([C@]2(C(F)F)COCC(N)=N2)c1	147503396	BULJFAPFXZXMNJ-KRWDZBQOSA-N	381.358	2.403	0	1	GEAF	
COCCC(C)(C)NC(=O)c1cnc(N2CC(F)(F)C2)c(OCC2CC2)n1	207415403	SLDGCVJPJKAIKR-UHFFFAOYSA-N	384.427	2.266	0	1	GEAF	
Cn1nccc1CS(=O)(=O)Cc1nc2ccc(F)c(Br)c2[nH]1	586922569	WSYKGGXGBIGPGW-UHFFFAOYSA-N	387.234	2.313	0	1	GEAF	
CC(C)(C)OC(=O)N1CCOC[C@@H]1[C@H]1CCc2cc3c(O)nc(O)nc3nc21	587556576	BFWMLXVNIKHGLJ-DGCLKSJQSA-N	388.424	2.102	0	1	GEAF	
C=CS(=O)(=O)N1C[C@@H]2CN(Cc3ccc(OC(F)(F)F)cc3)C[C@@H]2C1	618020204	KEIASWXZWRWHKW-OKILXGFUSA-N	376.400	2.422	0	1	GEAF	
CN1C(=O)C[C@H]2CN[C@]3(CC(C)(C)Cc4c3cnc3ncnn43)c3cccc1c32	963014923	BATVHHHNWJNVNH-WHEQGISXSA-N	388.475	2.394	0	1	GEAF	
CC(=O)N1CCN(C(=O)C2(NC(=N)Nc3ccc(F)cc3)CCCCC2)CC1	1857546154	GJPOCZOQAVLXBQ-UHFFFAOYSA-N	389.475	2.156	0	1	GEAF	
Clc1nc(N2CCNCC2)c2sc3nc(N4CCOCC4)ccc3c2n1	1911574747	XBIGBMQWXAFZHZ-UHFFFAOYSA-N	390.900	2.139	0	1	GEAF	
CCc1ccc(-c2c(-c3nn(C)c4ncnc(N5CC(O)C5)c34)cnn2C)cc1	1911580199	RNDDTYXZAQXENF-UHFFFAOYSA-N	389.463	2.174	0	1	GEAF	
CC=C(C)C(=O)O[C@H](c1cc2ccc(=O)oc2cc1OC)[C@H](O)C(C)(C)O	2356410698	BAHUBXAYVOCLNA-MSOLQXFVSA-N	376.405	2.484	0	1	GEAF	
CC(=O)O[C@@H]1[C@H](O)[C@@H]2[C@@H]3OC(=O)C4=C3[C@](C)(CC[C@@H]4O)CC[C@]2(C)[C@H]1C(C)C	2356722123	YMAVCQMSHJECFY-QMYHSDIOSA-N	392.492	2.364	0	1	GEAF	
COCC(=O)N1CCC(Oc2ccc(C(=O)NCCc3ccncc3)cc2)CC1	11822108	GVSHOGPNSKCVPU-UHFFFAOYSA-N	397.475	2.070	0	3	GEAF	
CN(Cc1ccc(F)cc1)C(=O)CN1C(=O)C2(OCCCO2)c2ccccc21	201470365	UTPUBYYZDLLTTE-UHFFFAOYSA-N	384.407	2.421	0	3	GEAF	
COc1ccc2c(c1)NC(=O)[C@@]21CCN2C[C@@H]3[C@H](C)OC=C(OC(C)=O)[C@@H]3C[C@@H]21	2356367621	GFBRPLWLNZPYAL-NPIAOBOVSA-N	398.459	2.419	0	1	GEAF	
CC(=O)O[C@]1(C)C(=O)O[C@@H]2[C@@H]3C(C)=CC[C@@H]3[C@](C)(O)C[C@H](OC(=O)C(C)C)[C@@H]21	2356442455	CPFDFMRUEQZXHU-GFEPLRJGSA-N	394.464	2.155	0	1	GEAF	
C[C@@H]1CN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C[C@@H]1CN	28386709	MHZSKKXOLCASLP-ZJUUUORDSA-N	377.391	2.344	0	1	GEAF	
CCCCc1ccc(-c2cc3cn([C@H]4C[C@H](O)[C@@H](CO)O4)c(=O)nc3o2)nc1	28710407	FRVTYBJEWRDHSI-CGTJXYLNSA-N	385.420	2.035	0	1	GEAF	
COc1ccc(CC[C@H](C)NC[C@@H](O)c2ccc(O)c(C(N)=O)c2)cc1OC	27738369	POJFCGHAPYYJFT-SCLBCKFNSA-N	388.464	2.153	0	1	GEAF	
CCOC(=O)C=C(C)C(=O)O[C@H]1C[C@H]2C[C@@H](OC(=O)C=C(C)C)[C@@H](C1)N2C	2356541583	LTHNNGQCWYQQLA-MWDXBVQZSA-N	379.453	2.152	0	1	GEAF	
COC(=O)[C@]1(CO)C[C@@]23CCCN4CC[C@]5(c6ccccc6N(C)[C@]51CC2)[C@H]43	2356721418	DLVUJHTUTZGNKC-FXILAVBZSA-N	382.504	2.317	0	1	GEAF	
CC(C)c1nccc(C[C@H]2[C@@H](CO)[C@@H](O)C[C@H]2NCc2ccc3c(c2)OCO3)n1	2356732429	HILKCFMYXRICBE-MANSERQUSA-N	399.491	2.019	0	1	GEAF	
C[C@H](N)[C@H]1CCN(c2c(F)c(N)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C1	27997579	SQCBNHVQFOMYMV-IUCAKERBSA-N	392.406	2.069	0	1	GEAF	
COc1cc(C[C@H]2CN(C(C)=O)[C@@H](Cc3ccccc3)CN2)cc2c1OCO2	13379062	AZQJCMKZNJKNSU-OALUTQOASA-N	382.460	2.398	0	1	GEAF	biogenic
Cc1cc(C)c2cc1C(=O)NCCNC(=O)CCCSc1cc-2nc(N)n1	73219084	RWFCWVOENLNUSF-UHFFFAOYSA-N	385.493	2.075	0	1	GEAF	
CCn1c(=O)ccc2cc(F)c(-n3c(=O)cc(C(F)(F)F)n(C)c3=O)cc21	43067824	WGFOWBPYVCVTBJ-UHFFFAOYSA-N	383.301	2.029	0	1	GEAF	
CCOc1ccccc1-c1nc(C(=O)N2CCC[C@H]2C(=O)OCCN)cs1	82073229	HPQPGQPSHRRKGH-HNNXBMFYSA-N	389.477	2.315	0	1	GEAF	
CCN1CC(C)(C)n2c(c(O)c3c(=O)n(Cc4ccc(F)cc4)ncc32)C1=O	40393915	PEUOWLSFSVHICP-UHFFFAOYSA-N	384.411	2.302	0	1	GEAF	
COc1ccc(-c2cc3ncccc3c(NCc3n[nH]c(=O)[nH]3)n2)cc1OC	141916336	SDWQYEQQLDYYEU-UHFFFAOYSA-N	378.392	2.338	0	1	GEAF	
N[C@H](C(=O)N1CCSC1)[C@H]1CC[C@H](NC(=O)c2cnc3ccccc3c2)CC1	261193031	ZXFWCMGMSOMZFC-FNHZYXHNSA-N	398.532	2.384	0	1	GEAF	
Oc1nc(S)nc2[nH]c(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)nc12	587119976	LTAZXMMDEWGDOY-UHFFFAOYSA-N	383.315	2.266	0	1	GEAF	
COc1ccc(Cn2cc([C@]3(C)N[C@H](C(=O)O)Cc4cccc(F)c43)nn2)cc1	962906647	QQPBMGNLAJUYQR-UWJYYQICSA-N	396.422	2.337	0	1	GEAF	
CCOC(=O)[C@@]1(CC(=O)c2c(C)nn(CC)c2C)NCCc2ccc(O)cc21	963350441	BYJNOPXWBYPMMC-NRFANRHFSA-N	385.464	2.403	0	1	GEAF	
Cc1cc2c(cc1O)[C@]1(N[C@H](C(=O)O)C2)C(=O)Nc2c(F)cc(Cl)cc21	963469782	KIZWREWDQRJCKC-SCLBCKFNSA-N	376.771	2.288	0	1	GEAF	
CC(C)CN1CCNC(=O)[C@@H]1CC(=O)NCCc1ccc(C(F)(F)F)cc1	11953707	GYVOSSQRAMNNLN-INIZCTEOSA-N	385.430	2.211	0	3	GEAF	
CCOc1ccc2nc(CN3CC[C@@H](N4CCC(O)CC4)[C@H](O)C3)ccc2c1	12314882	KKOKVNHKGJZFNT-FGZHOGPDSA-N	385.508	2.025	0	1	GEAF	
CCCCNC(=O)N1N[C@@H](c2ccc(N)cc2)c2cc3c(cc2CC1=O)OCO3	13487441	XIWKOVWVLWMBFF-FQEVSTJZSA-N	396.447	2.486	0	1	GEAF	
CO[C@@]12COC(=O)[C@@H]1[C@@H](c1ccc3c(c1)OCO3)c1cc3c(cc1O2)OCO3	17249949	LKMOYPCVIIXXNG-CMKODMSKSA-N	384.340	2.184	0	1	GEAF	
CN(C)c1cc[n+](CCOCCOCCOCCn2cnc3ccccc32)cc1	169327278	SZSCDJJKZKDHMT-UHFFFAOYSA-N	399.515	2.140	0	1	GEAF	
CC(=O)N1N=C(c2cccc(OS(N)(=O)=O)c2)C[C@@H]1c1ccc(F)cc1	1857571321	DQCASZYPSCSYKM-QGZVFWFLSA-N	377.397	2.106	0	1	GEAF	
COCC(=O)N[C@@H]1CC[C@]2(C)CC[C@H]([C@H](C)C(=O)NC(C)C)[C@H](O)[C@H]2[C@@H]1C	2356344006	XVXKERGFCTWKOE-VSGSVELBSA-N	382.545	2.102	0	1	GEAF	
CC1CCN(S(=O)(=O)N2CCC(C(=O)N[C@H]3CCCC[C@H]3C)CC2)CC1	3060413	KOGWKBXIWAUGPT-AEFFLSMTSA-N	385.574	2.370	0	1	GEAF	
COc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccnc3)C2)cc1	4057618	CSJQDZLYQNEUTG-CQSZACIVSA-N	375.450	2.130	0	3	GEAF	
COc1cccc(C(=O)N[C@@H]2[C@H](c3ccc(C(F)(F)F)nc3)C[C@@H](O)[C@H]2O)c1	2356286781	QCQYXQPWLPROQU-XOSAIJSUSA-N	396.365	2.117	0	1	GEAF	
COc1ccc(CN2Cc3c([nH]c4cc(-c5ccco5)nn4c3=O)C2=O)cc1	101161615	BIISLOJDLJXIGT-UHFFFAOYSA-N	376.372	2.447	0	1	GEAF	
Cn1cc(S(=O)(=O)NCc2cccc([C@H](CN)Cc3ccccc3)c2)cn1	114243715	KGBATTRBSMKHMW-IBGZPJMESA-N	384.505	2.184	0	1	GEAF	
COc1ccc(CNC(=O)C2CCN(c3ncnc4onc(C)c34)CC2)cc1	20944650	YOIUDGUCHREZPN-UHFFFAOYSA-N	381.436	2.468	0	1	GEAF	
Cc1cccc(S(=O)(=O)NC(=O)[C@@]2(C)CCN2C(=O)Cc2ccccc2)c1	61897186	WAEODWCTIFMPLF-HXUWFJFHSA-N	386.473	2.034	0	3	GEAF	
OC[C@H]1[C@H](Cc2ccnc(-c3ccccc3)n2)[C@H](NCc2ccccn2)C[C@H]1O	2356491171	DYFZRJVDQAVGKL-FNAHDJPLSA-N	390.487	2.229	0	1	GEAF	
CCCOc1c2c(cc3oc(CO)c(CCCO)c(=O)c13)O[C@H](C(C)(C)O)C2	85594495	DYZMJOGXDJUUHR-KRWDZBQOSA-N	392.448	2.073	0	1	GEAF	biogenic,in-vitro
O=C(CC1CC1)N1CC2(C1)[C@@H](c1ccccc1)[C@H](CO)N2CC1CCOCC1	95794321	KVJINFOJQOHVHI-UNMCSNQZSA-N	384.520	2.254	0	1	GEAF	
CCCN1[C@@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@H]1[C@@H](C(=O)NCC)[C@@H]2CO	95880197	WZOOZAJZQBIFST-PBASOCQRSA-N	395.503	2.025	0	1	GEAF	
CCC(=O)N1[C@H](CO)[C@H](c2ccccc2)C12CN(C(=O)c1ccc(F)cc1)C2	95794118	PYDQIVDMVGAAQB-QUCCMNQESA-N	382.435	2.417	0	1	GEAF	
COc1cccc(CN2C[C@H](C(=O)NCCCn3ccnc3C)CCC2=O)c1	12307248	YYRBCRGOLRXPNC-GOSISDBHSA-N	384.480	2.145	0	3	GEAF	
CCOC(=O)C1(Cc2ccccc2C(F)(F)F)CCN(C[C@H](O)CO)CC1	13595608	JKGPQNPPDPPKEV-HNNXBMFYSA-N	389.414	2.246	0	3	GEAF	
O=C(c1ccccc1)n1c(=O)n(-c2ccccc2)c(=O)n1C(=O)c1ccccc1	13675213	IRPSPSCQDZDJAT-UHFFFAOYSA-N	385.379	2.178	0	1	GEAF	
CCOC(=O)CCCn1ccc2cc(OC(C)=O)c(OC(C)=O)cc2c1=O	13800914	CPRRVBYQFGGSAS-UHFFFAOYSA-N	375.377	2.195	0	1	GEAF	
O=C1NC(=S)N/C1=C/c1cc2ccc(-c3ccc4c(c3)CCNC4=O)cc2[nH]1	103237688	BOWXFLJUESYCLU-VCHYOVAHSA-N	388.452	2.466	0	1	GEAF	
COC(=O)[C@]1(c2ccc(OC)cc2)C[C@H]1CN1CCN(c2ccccn2)CC1	28604338	WNFYENWICXMXHB-AVRDEDQJSA-N	381.476	2.343	0	1	GEAF	
Cc1cn2cc(Cn3cc(C(=O)NCc4c(C)cc(N)nc4C)cn3)ccc2n1	114079512	XFBVLADKLOFZNC-UHFFFAOYSA-N	389.463	2.412	0	1	GEAF	
NS(=O)(=O)c1cccc(CN2CCC[C@@H](Nc3ccc4[nH]ncc4c3)C2)c1	113343419	JSQRFMBGAVZKFV-QGZVFWFLSA-N	385.493	2.287	0	1	GEAF	
COC(=O)C1=CC[C@@]23CC[C@@H]([C@](C)(CCC(=O)O)OC2=O)[C@@]3(OC(C)=O)CC1	2356586004	IQFROZIBHYYWNH-GAZPGATBSA-N	394.420	2.148	0	1	GEAF	
COC(=O)[C@@H]1C[C@H](O)C[C@@H]2[C@@H]1C(=O)C[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]12C	140388403	LPHWMSVPEOJPHG-ZPFUMPSZSA-N	376.405	2.039	0	1	GEAF	
Nc1ncc(-c2ccc(C3(c4noc(N5CC[C@H](O)C5)n4)CCC3)cc2)cn1	149807607	NOSJALSMQXVYAR-INIZCTEOSA-N	378.436	2.150	0	1	GEAF	
CCOC(=O)CCN1CCC(C(=O)OC)(N(C(=O)CC)c2ccccc2)CC1	13822775	PTDREQCJVOKZIH-UHFFFAOYSA-N	390.480	2.390	0	1	GEAF	
CCn1cc(-c2ccc(C(=O)N3CCOCC3)c(Cl)c2)n2cncc2c1=O	1857533797	QBNZCPGLPCCCPK-UHFFFAOYSA-N	386.839	2.309	0	1	GEAF	
Cn1cc(NC(=O)c2cncc(-c3ccnc(NCC4CC4)c3)c2)c(C(N)=O)n1	1857566775	NFKDHBAEZIABIH-UHFFFAOYSA-N	391.435	2.050	0	1	GEAF	
Cc1cc(C(=O)N[C@@H](Cn2ccnc2)C(=O)OCC(C)C)nn1-c1ccccc1	1857636758	LYRIOVHCGDONCQ-IBGZPJMESA-N	395.463	2.375	0	1	GEAF	
CNS(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc(C(N)=O)cc3)c2)cc1	202067388	TWYURBNSUMQJNK-UHFFFAOYSA-N	382.445	2.005	0	1	GEAF	
NS(=O)(=O)c1ccc(NC(=O)c2ccccc2C(=O)N2CCCCC2)cc1	864248	ITKVUKBLNIRQCS-UHFFFAOYSA-N	387.461	2.212	0	3	GEAF	
CC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)Nc3nc(C)cs3)ccc21	4971598	SNIHJSDERMEZHP-UHFFFAOYSA-N	393.490	2.163	0	1	GEAF	
CCN1CCC[C@H]1CNC(=O)c1ccc(-n2c(=O)c(O)nc3ccccc32)cc1	8586474	BVBURHKKLMNICB-KRWDZBQOSA-N	392.459	2.305	0	1	GEAF	
COc1ccc([C@@H](O)[C@H]2CO[C@H](c3ccc4c(c3)OCO4)[C@H]2CO)cc1OC	59588938	FJXKIGDEXMHOCZ-VUEDXXQZSA-N	388.416	2.462	0	1	GEAF	biogenic,in-vitro
CC(C)N(C)c1ncnc2c1ncn2[C@H]1CN(Cc2ccccc2)C[C@@H](CO)O1	61908949	LFOIOQZDPGXVGA-ZWKOTPCHSA-N	396.495	2.063	0	3	GEAF	
COc1ccccc1[C@@H](CNC(C)=O)Nc1ncnc2c(C(N)=O)cccc12	114349790	AJJYRLVECZPGED-MRXNPFEDSA-N	379.420	2.027	0	1	GEAF	
COCC(=O)N[C@@H]1[C@H](c2cccs2)N(C(=O)C2CCCCC2)CC[C@@]1(C)O	2356735492	DAETYFYLNIUSPG-NLWGTHIKSA-N	394.537	2.484	0	1	GEAF	
COC(=S)NC[C@H]1CN(c2cc(F)c3c(c2)N(C)C[C@@H]2CCCN32)C(=O)O1	40565417	GYXUCUAHAAYYJA-AAEUAGOBSA-N	394.472	2.090	0	1	GEAF	
COc1cc2nc(N3CCC(O)CC3)nc(NC[C@@H]3CCCO3)c2cc1OC	82119820	LLKFZZHHLBPEKQ-AWEZNQCLSA-N	388.468	2.199	0	1	GEAF	
CC/C(C)=C/C(=O)O[C@@H]1CC(C(=O)OC)=C[C@@H](O)[C@H]1OC(=O)/C=C(\C)CC	238756329	JBACGGCHMOGCEM-VVIKSDSVSA-N	380.437	2.387	0	1	GEAF	
CCS[C@@]12O[C@@]3(CCCCCN3C1=O)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@H]12	299815873	KEAQETBYJBOAGZ-VVVONTASSA-N	386.473	2.384	0	1	GEAF	
COc1cc2c3c(c1)O[C@]1(COCCN(C(=O)OC(C)(C)C)C1)[C@@H](C2)C3=O	587445336	VIDAXYXQMLSLHZ-VBKZILBWSA-N	375.421	2.449	0	1	GEAF	
CN(C)S(=O)(=O)c1ccc(OCc2nc3cc4c(cc3[nH]2)OCCO4)cc1	586931704	JWVLZVYPWXULHD-UHFFFAOYSA-N	389.433	2.163	0	1	GEAF	
CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3nc(N)nc(Cl)c3[nH]2)cc1	586934990	FIKZLLYKLYOWBZ-QMMMGPOBSA-N	380.861	2.332	0	1	GEAF	
O=C1[C@H](N2CC[C@H](c3ccc(O)cc3)[C@@H](O)C2)CCN1Cc1ccc(F)cc1	1772603491	NIPVYFDEJFFCLH-NJYVYQBISA-N	384.451	2.483	0	1	GEAF	
NCc1cc(Oc2cccc(C(=O)NCc3ccc(C(=O)O)cc3)c2)ncn1	1857580999	QUHJYSHATOZUHQ-UHFFFAOYSA-N	378.388	2.356	0	1	GEAF	
COc1ccc2c(c1)c(-c1ccccc1)cc(=O)n2Cc1nnc(S)n1N	1857618859	DWOOHTOMHQSQTB-UHFFFAOYSA-N	379.445	2.319	0	1	GEAF	
C[C@@H]1C(=O)N(C)c2ccc(C(=O)NS(=O)(=O)c3ccccc3)cc2N1C1CC1	1857647765	ZWKLQCZWWAEJJO-CYBMUJFWSA-N	399.472	2.139	0	1	GEAF	
Cc1cc(C)nc(N2C[C@@H]3CN(C(=O)c4ccccc4-n4cccn4)C[C@H]3C2)n1	116822521	RHNDWDDUZXTNJU-ROUUACIJSA-N	388.475	2.488	0	1	GEAF	
C[C@H]1C[C@H](C)N(C[C@@H](O)CNS(=O)(=O)c2cc(Cl)sc2Cl)C1	28892182	MPFZBFNQYBYBCS-GUBZILKMSA-N	387.354	2.424	0	1	GEAF	
CCCCOC(=O)COC(=O)[C@@H]1CCCN(C(=O)c2csc(CC)n2)C1	82069658	ZVYBIVJSFRYEKN-CYBMUJFWSA-N	382.482	2.444	0	1	GEAF	
Cn1cc(-c2ccc(Cn3cc(C(=O)O)c(=O)c4c3CCC[C@H]4O)cc2)cn1	49069288	SKYMJGOQOIAXMW-GOSISDBHSA-N	379.416	2.365	0	1	GEAF	
O=C1N=C2[C@@H](C(=O)N=C3SC([N+](=O)[O-])=CN32)[C@@H](c2ccc(Cl)cc2)N1	95582439	BNTBDZIIXWTKBX-VHSXEESVSA-N	377.769	2.140	0	1	GEAF	
CC(C)(C)OC(=O)NC(C)(C)C(=O)Nc1cccc([C@@H]2CCC(=O)NN2)c1	618015638	ZKQXCNXMSNJJBV-AWEZNQCLSA-N	376.457	2.384	0	1	GEAF	
CN(C)S(=O)(=O)c1cccc2nc(/C=C\S(=O)(=O)c3ccccc3)[nH]c12	586924182	KKNZZSITRKCLQM-QXMHVHEDSA-N	391.474	2.258	0	1	GEAF	
COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(OC)c1OCC(N)=O	587389385	KDDYNOHNMCBKLK-OAHLLOKOSA-N	386.404	2.165	0	1	GEAF	
COC(=O)c1ccc2nc(-c3nccnc3I)[nH]c2c1	587186682	ORQGJWSBGOKYPD-UHFFFAOYSA-N	380.145	2.411	0	1	GEAF	
O=C(O)CNCCNCc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1	587229229	SLQQDBNIHVYWPH-UHFFFAOYSA-N	395.179	2.108	0	1	GEAF	
CCOC(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@]12c1c(N)ccc3c1CCN2C3	962952512	HQEVIPSKKJXQTF-VFNWGFHPSA-N	387.480	2.266	0	1	GEAF	
C[C@@](O)(C(=O)Nc1ccc(S(=O)(=O)c2ccc(O)cc2)cc1)C(F)(F)F	13760152	KXHZZAYXTPZNDJ-OAHLLOKOSA-N	389.351	2.477	0	1	GEAF	
O=C1C[C@](O)(C(F)(F)F)c2c(n[nH]c2C2CCN(c3nccs3)CC2)N1	1857572165	HFJIIUHQMURANG-CQSZACIVSA-N	387.387	2.342	0	1	GEAF	
CC(C)C[C@H]1NC(=O)C(SCC(=O)NCc2ccc3c(c2)OCO3)=C1O	100603426	PYHASXKGIWQKHN-GFCCVEGCSA-N	378.450	2.079	0	1	GEAF	
COc1ccc(NC(=O)[C@@H]2C(=O)N(CCO)[C@]3(C)C[C@@H]2c2ccccc2O3)cc1	100855838	GAZFRBHNVWRJFX-JUXOCIIHSA-N	396.443	2.367	0	1	GEAF	
CCCc1nc2nc(C)c(NS(=O)(=O)c3ccc(Cl)cc3)c(=O)n2[nH]1	103695888	OOLPWFPNXZPYJW-UHFFFAOYSA-N	381.845	2.133	0	3	GEAF	
N[C@H](C(=O)N1CCSC1)[C@H]1CC[C@H](NC(=O)c2cnc3ccccc3c2)CC1	103228812	ZXFWCMGMSOMZFC-YJLNNSPDSA-N	398.532	2.384	0	1	GEAF	
COc1ccc(-c2nnn(C)n2)cc1CN[C@H]1CCCN[C@H]1c1ccccc1	22938171	QJWDDKFLDNAVJD-ICSRJNTNSA-N	378.480	2.469	0	1	GEAF	
COc1cc(O)c([C@@H]2Oc3cc(OC)c(OC)c(O)c3C(=O)[C@H]2OC)cc1O	2356589665	NHPWTKFADZKYEO-PKOBYXMFSA-N	392.360	2.161	0	1	GEAF	
CCCNC(=O)c1nnc2c(-c3cncc(C(=O)N4CCC4)c3)cccc2c1N	66251271	ZRHJFOQMTHUEKL-UHFFFAOYSA-N	390.447	2.260	0	1	GEAF	
Cc1ccc(-c2n[nH]c(CC(C)(C)C)n2)cc1S(=O)(=O)N1CCOCC1	40900980	MRBHADJNBIAZSC-UHFFFAOYSA-N	378.498	2.390	0	1	GEAF	
C/C=C1\CN(C)[C@H]2Cc3c([nH]c4ccccc34)C(=O)C[C@@H]1[C@]2(CO)C(=O)OC	238748294	CZRUSFCSECMUDS-RFNCFVTRSA-N	382.460	2.325	0	1	GEAF	
Cc1cc(=O)c2c(O)c3c(c([C@H](O)[C@H](O)C(C)(C)O)c2o1)OC(C)(C)C=C3	14511601	YRDMYIZMXKJVCI-YJBOKZPZSA-N	376.405	2.156	0	1	GEAF	
COc1ccc([C@@H]2[C@H](C(=O)c3ccccc3)C(=O)C(=O)N2CCCO)cc1OC	169719349	PUDZPVISVAXWTJ-RTBURBONSA-N	397.427	2.038	0	1	GEAF	
CCNc1cc(O)c2c(c1)/C=C/C[C@H](O)[C@@H](O)C(=O)/C=C/[C@@H](C)[C@H](C)OC2=O	207837966	MWUFVYLAWAXDHQ-KURKYWAUSA-N	389.448	2.269	0	1	GEAF	
Cc1c(C(=O)N2CCC(C(F)F)CC2)cnn1-c1nc(O)c2c(n1)CCC2	1857533630	LEHPSQXTKXVZRH-UHFFFAOYSA-N	377.395	2.282	0	1	GEAF	
COc1ccc(NC(=O)N2CCN(c3[nH]c(=N)nc4scnc34)C[C@H]2C)cc1	1857647864	CKXIEWLODKBPTK-LLVKDONJSA-N	399.480	2.250	0	1	GEAF	
CCOc1ccc([C@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCCOCCO)cc1	4049172	OYSCZJFGJXURTE-PZJWPPBQSA-N	398.459	2.302	0	1	GEAF	
COc1cc(C(N)=O)c2ncnc(N[C@@H](CN(C)C)c3ccccc3OC)c2c1	114344249	HFFMDSWQQSOGQY-KRWDZBQOSA-N	395.463	2.461	0	1	GEAF	
COc1ccc2c3c1O[C@H]1[C@H](O)C=C[C@@H]4[C@@H](C2)N([C@@H]2CCCC[C@@H]2O)CC[C@@]341	28239593	ROOIUTBGPBWDFU-DJFJZVJVSA-N	383.488	2.175	0	1	GEAF	
O=C1[C@@]2(CO2)[C@H]2C[C@H](c3ccccc3)[C@]1(CO)C=C2I	40829308	SFZSRBJFXQJCMU-NOXHYTERSA-N	382.197	2.439	0	1	GEAF	
COc1ccc2c3c1O[C@@H]1C(=O)[C@@H](C)C[C@@]4(O)[C@@H](C2)N(CC2CCC2)CC[C@]314	40670057	HQDQOBZHPVEXBG-OFLGQSNMSA-N	383.488	2.465	0	1	GEAF	
Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)sc1C(=O)c1cccc(F)c1	95920711	CJQHODVHGDYGJK-UHFFFAOYSA-N	392.437	2.486	0	1	GEAF	in-vitro
C[C@@H](O)CN(Cc1cccc2ccccc12)c1cc(N2CCOCC2)[nH]c(=O)n1	95552507	ITYRDLOSIWZNFA-MRXNPFEDSA-N	394.475	2.147	0	1	GEAF	
CC(C)[C@H](Nc1nc(Cl)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@@H]2C[C@@H]21)C1CC1	95554879	HKUIYLBPJCABPX-IVJGCZHASA-N	377.876	2.239	0	1	GEAF	
CC(C)(C)OC(=O)N[C@]1(c2nc3c[nH]c(=N)[nH]c-3n2)[C@@H]2CCCO[C@H]2C1(C)C	587240853	YATZVYSHAUXDSX-WLCUFGOBSA-N	388.472	2.272	0	1	GEAF	
CC(C)(C)OC(=O)N1CC[C@@H](C(=O)O)[C@]2(C1)NCCc1nc3ccccn3c12	962981909	HIGQMUWUVCGNJH-RBZFPXEDSA-N	386.452	2.017	0	1	GEAF	
CCn1ncc2cc3nc(c21)C[C@H](O)COC[C@H](c1cccc(F)c1)NC(=O)N3	1772578214	OWXNKLINHJEQGS-DOTOQJQBSA-N	399.426	2.387	0	1	GEAF	
CCN(Cc1cnn(C)c1)C(=O)[C@@H]1CCC(=O)N(CCc2ccc(OC)cc2)C1	12092171	QVLZYCDCPLNMPR-LJQANCHMSA-N	398.507	2.259	0	3	GEAF	
CC(=O)Oc1ccccc1C(=O)O[C@]12[C@H]3[C@H]4C[C@@H]5[C@@H]6[C@H]4[C@@H]1[C@H]6[C@@]1(OCCCN12)[C@@H]35	169298991	WHDRGMZULYIHPP-NXTAFWSXSA-N	393.439	2.285	0	1	GEAF	
CC(=O)N1CCN(C(=O)Nc2ccc(N3CC[C@H](N4CCC[C@@H]4C)C3)cc2)CC1	169299906	BCCVUKGKQRRJOM-UWJYYQICSA-N	399.539	2.446	0	1	GEAF	
C[C@H]1CCC[C@@H](NC(=O)C2CCN(S(=O)(=O)N3CCCCC3)CC2)[C@@H]1C	4686748	FUGVBRYQGMKFNW-LZLYRXPVSA-N	385.574	2.370	0	1	GEAF	
CCCn1c2ccccc2c2cnn(CC(=O)NCCN(CC)CC)c(=O)c21	6899975	DQPZYCZTPHGAPC-UHFFFAOYSA-N	383.496	2.219	0	3	GEAF	
CC[C@@H]1C2=C3[C@@H]4[C@@H](OC(=O)[C@@H](C)[C@@H]4[C@H]1O)[C@@H]([C@H]1C[C@H](C)C(=O)O1)N3CCCC2	103584781	IMBLSLXWSTZJFX-LVWMSTKQSA-N	389.492	2.255	0	1	GEAF	biogenic,in-vitro
OCCOCn1c(Br)nc(Br)c1Br	28461258	RQVCNOSVYKVMSZ-UHFFFAOYSA-N	378.846	2.137	0	1	GEAF	
CCNCC1CN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C1	27415337	VYGBBZUTGOJPBB-UHFFFAOYSA-N	377.391	2.359	0	1	GEAF	
C=C(CO)[C@@H]1Cc2c(ccc3c2O[C@@H]2COc4cc(O)c(OC)cc4[C@H]2C3=O)O1	14420774	ABUBWVZSQKAKIK-PWIZWCRZSA-N	396.395	2.373	0	1	GEAF	biogenic
O=C1c2cc3c(cc2OCN1C[C@@H](O)c1ccccc1)C(=O)N1CCC[C@@H]1O3	72124942	LIXIVCSGPSXRLV-APWZRJJASA-N	380.400	2.167	0	1	GEAF	
CCNc1c(C(=O)N(CC)CC)c2nnc(CC(=O)OCC)n2c2ncccc12	40430910	RKLQZMFKJGHHIT-UHFFFAOYSA-N	398.467	2.297	0	1	GEAF	
CCOC(=O)c1ccccc1NC(=O)Nc1ccc(OS(N)(=O)=O)cc1	84670325	BTDCRIRAHNKHEP-UHFFFAOYSA-N	379.394	2.090	0	1	GEAF	
CCOC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](NC(=O)CC(C)C)C(C)C	40525823	FOQFTNGVLMVBTQ-TXPKVOOTSA-N	386.533	2.018	0	1	GEAF	
COc1cc(NC(=O)N2C[C@@H]3C[C@H](C2)Cn2c3ccc(N)c2=O)cc(OC)c1	25228866	CDXJGPCAJIEUOI-OLZOCXBDSA-N	384.436	2.099	0	1	GEAF	biogenic
CC1=C(C(=O)O[C@@]23OC[C@]4(C)[C@@]2(C)C(=O)C[C@]2([C@H](C)CC[C@]24O)[C@H]3O)CCC1	263638167	SGFRFWVBCRSHNZ-KONSOGRUSA-N	390.476	2.264	0	1	GEAF	
Oc1nc(O)c(I)c(-c2nc3ccnc(Cl)c3[nH]2)n1	587181788	CXRBJNNQQAJHJO-UHFFFAOYSA-N	389.540	2.084	0	1	GEAF	
CNS(=O)(=O)N1CCC(c2nc3cc(Br)cc(C)c3[nH]2)CC1	586954358	HNZJZCMQAXNLRL-UHFFFAOYSA-N	387.303	2.277	0	1	GEAF	
C/C=C(\C)C(=O)NCCN1C2=NC[C@H](C(C)C)N2C[C@H]1Cc1ccc(O)cc1	13545642	JUTHCVXXDQATPK-KAKWSUSISA-N	384.524	2.398	0	3	GEAF	
Cc1c(C(=O)N2CC[C@H](C(F)(F)F)C2)cnn1-c1nc(O)c2c(n1)CCC2	1857594517	HBKAYFFKVXMZJO-JTQLQIEISA-N	381.358	2.189	0	1	GEAF	
CC(=O)N1CCN(C(=O)c2onc(-c3ccc(Cl)cc3)c2[C@@H](C)O)CC1	2356309589	UJZWFUIVMYBMCI-LLVKDONJSA-N	377.828	2.353	0	1	GEAF	
COCCn1cc(C(=O)NCc2ccccn2)c2c3ccccc3n(C)c2c1=O	4788778	AWORJFAIPINIBP-UHFFFAOYSA-N	390.443	2.465	0	1	GEAF	
CCOC(=O)N1C[C@@H]2CC[C@H](C1)[C@@H]2NCCNC(=O)c1cc(F)cc(F)c1	103227214	OFEVSBUPYRINBN-LAQFHYBYSA-N	381.423	2.151	0	1	GEAF	
CC(C)(O)[C@@H]1Cc2ccc(CC3=C(c4ccc(O)cc4)C(=O)NC3=O)cc2O1	2356712334	ZHZFWZNCGZJUSC-SFHVURJKSA-N	379.412	2.119	0	1	GEAF	
Cc1cc(N(C)CCCNCc2ccc3c(c2)OCO3)nc(-n2ccnc2)n1	34016676	IVHAGMRDRJGBEY-UHFFFAOYSA-N	380.452	2.316	0	1	GEAF	
COc1cc2c(c(O)c1OC)OC[C@@H](c1cc(O)c(OC)c(OC)c1O)[C@H]2O	653729203	CYYLBUZNXKPWKU-GWCFXTLKSA-N	394.376	2.047	0	1	GEAF	biogenic
CCn1cc([C@]2(CN3CCOCC3)CC(=O)c3cc(C)cc(N)c3O2)c(C)n1	587392238	XTFCECFXAWHSKF-OAQYLSRUSA-N	384.480	2.295	0	1	GEAF	
CCCc1c(O)ccc2c1O[C@@]1(CCS(=O)(=O)C[C@H]1C(=O)OCC)CC2=O	587495027	ZMUBMAJODPARSZ-LIRRHRJNSA-N	396.461	2.047	0	1	GEAF	
CC(=O)OC[C@]1(c2ccc(Cl)cn2)N[C@H](C(=O)O)Cc2cc(C)c(O)cc21	963525373	MCHJWLDEUQTEKW-KXBFYZLASA-N	390.823	2.155	0	1	GEAF	
C[C@]1(c2cc3c(s2)CCCC3)c2[nH]cnc2C[C@H]2C(=O)N3CCC[C@H]3C(=O)N21	963206466	PDRLTKRYGAHDPO-GXZWQRSESA-N	396.516	2.371	0	1	GEAF	
Cc1nn(CC(=O)NCc2ccc3c(c2)OCO3)c(=O)c2cc3sccc3n12	5108732	GDSUDIKFQYXJBY-UHFFFAOYSA-N	396.428	2.064	0	1	GEAF	
CN(C)Cc1nc2c(n1Cc1ccccc1)C(=O)N(C)C1=N[C@@H]3CCC[C@@H]3N12	13763721	FNRFRDMRYQFPBG-CVEARBPZSA-N	378.480	2.176	0	1	GEAF	
COc1c2c(cc3ccoc13)C(=O)[C@@]1(O)c3cc4c(cc3OC[C@@H]1O2)OCO4	14502292	DDGYXSWHWAQNRQ-MGPUTAFESA-N	382.324	2.394	0	1	GEAF	endogenous,in-man
COc1ccc2c(c1)c(C(C)=O)c(-c1ccccc1)n2C1=NNC(=S)N[C@@H]1N	169346643	ILUAWKFBLURWID-SFHVURJKSA-N	393.472	2.444	0	1	GEAF	
O=C1N[C@H](C(=O)O)Cc2cn(cn2)CCC=CCOc2ccc(Cl)c1c2	1857626703	GXWGJFIDBBUABQ-INIZCTEOSA-N	375.812	2.301	0	1	GEAF	
CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](NC(=O)c2ccncc2)C=C[C@H]3[C@H]1C5	1857635043	QKFLNPYMNMJADC-NXASZBTQSA-N	389.455	2.031	0	1	GEAF	
O=C(CN1CCOCC1)Nc1ccc(OC2CCN(C3CCC3)CC2)c(F)c1	149368592	ZOWIRJGQDHKVHS-UHFFFAOYSA-N	391.487	2.492	0	1	GEAF	
c1cc(C2=NCc3ccnc(NC4CCOCC4)c32)cc(N2CCOCC2)n1	96175965	TVHGCOSZWBHUNZ-UHFFFAOYSA-N	379.464	2.255	0	1	GEAF	
Cn1nccc1-c1cc(NC(=O)C(=O)c2ccc(F)cc2)ccc1OCCN	114774996	FFRHZNYHCQFSHO-UHFFFAOYSA-N	382.395	2.385	0	1	GEAF	
COc1cccc(OC)c1C(=O)N1C[C@@H]2CN(c3nc(C)cc(C)n3)C[C@@H]2C1	116823760	PJEPFZUFIFXWFK-IYBDPMFKSA-N	382.464	2.319	0	1	GEAF	
Cc1cc(Br)cc2nc([C@H](C)NS(=O)(=O)c3cnn(C)c3)[nH]c12	586937543	GISJLMGTUVHEPT-VIFPVBQESA-N	398.286	2.407	0	1	GEAF	
Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4cccc(C(N)=O)c4[nH]3)cc12	587039639	ZPMCUXDNKAYLTR-SECBINFHSA-N	382.449	2.409	0	1	GEAF	
O=C(O)c1cc2nc(-c3nccnc3I)[nH]c2cc1F	587186268	GOWNUFPQURINGC-UHFFFAOYSA-N	384.108	2.462	0	1	GEAF	
COc1ccc2nc(CO[C@@H]3CN(C4CCN(C(C)=O)CC4)C[C@H]3F)[nH]c2c1	2356318131	TUVPYMCJCVCFHQ-VQIMIIECSA-N	390.459	2.121	0	1	GEAF	
CC(=O)O[C@@H]1C[C@]2(C)[C@@H]3CCc4cocc4[C@]3(CO)CC[C@@H]2[C@](C)(CO)[C@H]1O	2356794850	IDJRJSOIZLZZJY-LFCPWCDWSA-N	392.492	2.183	0	1	GEAF	
COc1cccc(NC(=O)N[C@H]2CCc3ccccc3N(CC(=O)O)C2=O)c1	1534225	LDKASJPGQAISEW-INIZCTEOSA-N	383.404	2.249	0	1	GEAF	
Cn1ncc(C(=O)N2CCOCC2)c1C1CCN(C(=O)OC(C)(C)C)CC1	7001489	BYLNYGYBNZDFKE-UHFFFAOYSA-N	378.473	2.007	0	1	GEAF	
Cc1ccccc1[C@@H]1C[C@H](O)[C@@H](O)[C@@H]1NS(=O)(=O)c1ccc(Cl)cc1	2356549318	YQIXETPBAZTAGL-WNRNVDISSA-N	381.881	2.205	0	1	GEAF	
O=c1cc(N2CCOCC2)nc2n(Cc3cccc(C(F)(F)F)c3)ccn12	73403450	QRXNLIGZNSTYED-UHFFFAOYSA-N	378.354	2.400	0	1	GEAF	
FC(F)(F)c1nc(NCc2ccncc2)c2nnn(C[C@H]3CCCO3)c2n1	84691028	LABOALGSJPNXKO-LLVKDONJSA-N	379.346	2.426	0	1	GEAF	
C/C=C(\C)C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@@H](C)CO	82197096	DVZGHGCCBKFRTA-RWYOSOHWSA-N	388.508	2.069	0	1	GEAF	
COc1cccc2c1CCN1C(=O)CN=C(c3cnc4c(c3)OCCN4C)C=C21	149103051	OOCGJICSMATBSN-UHFFFAOYSA-N	390.443	2.147	0	1	GEAF	
CCCc1cn(CC[C@H]2CC[C@@H](NC(=O)C3CCCCC3)[C@H](CO)O2)nn1	95675281	GHLUFTIHFDMMKJ-QRVBRYPASA-N	378.517	2.226	0	1	GEAF	
COc1ccc(-c2oc3cc(OC)cc(O)c3c(=O)c2S(=O)(=O)O)cc1	238745634	FLILCZJCZMNHMA-UHFFFAOYSA-N	378.358	2.430	0	1	GEAF	
Cc1cc2c(cc1O)[C@@](C)(/C=C1/Nc3ccccc3NC1=O)N[C@H](C(=O)O)C2	963505648	CGHBZHJNJPCFLA-PVSUNYTLSA-N	379.416	2.463	0	1	GEAF	
Cn1c(-c2cc(Cl)ccc2O)nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1	18168125	TXRUQMVKCMBKGF-UHFFFAOYSA-N	382.807	2.498	0	1	GEAF	
NC(=O)[C@H](O)[C@@H](O)c1cccc(-c2ccc(Oc3ccc(Cl)nc3)cc2)n1	205452943	XAJNPHSIMCBHKT-ZWKOTPCHSA-N	385.807	2.469	0	1	GEAF	
COc1ccc(CN(C(C)=O)[C@H](C(C)=O)C(=O)NC2CCCCC2)c(OC)c1	205861369	KKGYSOTXJIMSER-HXUWFJFHSA-N	390.480	2.459	0	3	GEAF	
CCN1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2OC)CC1	839582	RPOIMOQCZMUAJR-UHFFFAOYSA-N	389.427	2.324	0	1	GEAF	
Cc1nc(N)nc2c1cc(-c1ccc(N(C)C)nc1)c(=O)n2[C@H]1CC[C@H](O)CC1	116021587	OHMFGJKOMBKYNM-GASCZTMLSA-N	394.479	2.286	0	1	GEAF	
NS(=O)(=O)c1cc(O)ccc1NS(=O)(=O)c1cccc(Cl)c1Cl	149474331	HKTDZGHSWIAQRP-UHFFFAOYSA-N	397.261	2.147	0	1	GEAF	
CC[C@]12C=CCN3CC[C@]4(c5ccc(OC)cc5N[C@@H]4[C@@](O)(C(=O)OC)C1)[C@@H]32	238749609	MLIQIRKAHMVCDD-BGJPATFMSA-N	384.476	2.075	0	1	GEAF	
CC[C@@H]1[C@@H]2N3CCc4c([nH]c5ccc(OC)cc45)[C@]2(C(=O)OC)C[C@H](C3)[C@H]1O	238742417	UKYBFFVWOWRLGX-GYRLMJHUSA-N	384.476	2.235	0	1	GEAF	
O=C(C[C@H]1CC[C@H](NC(=O)CC2CC2)[C@H](CO)O1)NCc1ccc(Cl)cc1	95677590	QFAVGRCFIOJHOR-SQNIBIBYSA-N	394.899	2.171	0	1	GEAF	
Cn1ccnc1[C@@]1(C)c2scnc2C[C@@H](C(=O)O)N1C(=O)OC(C)(C)C	963134179	DBLOASRAHJVJLD-APPDUMDISA-N	378.454	2.387	0	1	GEAF	
CSc1nc2c(c(N3CCOCC3)n1)[C@@H](O)n1c(nc3ccccc31)S2	5800893	NVGPQUGITMKGOU-OAHLLOKOSA-N	387.490	2.389	0	1	GEAF	
Cc1ccc(NC(=O)[C@@H]2[C@@H]3C(=O)N(Cc4cccnc4)C[C@]34C=C[C@H]2O4)cc1F	13131926	MHLHARLAZLJYDT-VQQMMKBISA-N	393.418	2.450	0	1	GEAF	
O=C(CF)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc(Cl)c1	1857618829	YGYHMALWSCPEGK-KRWDZBQOSA-N	376.815	2.336	0	1	GEAF	
O=C(NC[C@H]1COc2ccccc2O1)c1ccc(NC(=O)[C@@H]2CCCO2)cc1	4079395	YGDUZEWCOWEVDK-LPHOPBHVSA-N	382.416	2.374	0	3	GEAF	
O=C1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2ccc3ccccc3n2)C1	6580478	NEGRQMWDKHGCPE-NRFANRHFSA-N	387.439	2.377	0	1	GEAF	
Nc1cc(-c2c(-c3ccc(F)cc3)ncn2CCCN2CCOCC2)ncn1	26843585	FTKRKUIWXKHILH-UHFFFAOYSA-N	382.443	2.451	0	1	GEAF	
COC1=C(OC)[C@@H]2C(=O)O[C@H]([C@@H]3c4cc5c(cc4CCN3C)OCO5)[C@H]2C=C1	2356640460	CRAVBINFWZGLSC-BTINSWFASA-N	385.416	2.176	0	1	GEAF	
COCC(=O)N[C@@H]1[C@@H](c2cccs2)N(C(=O)C2CCCCC2)CC[C@@]1(C)O	2356735494	DAETYFYLNIUSPG-QWFCFKBJSA-N	394.537	2.484	0	1	GEAF	
CCc1ccc(Cc2ccc(OC)c([C@@H]3C[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)cc1	35900928	RAYPQIFWKYQIKX-HTKBXHQZSA-N	386.488	2.027	0	1	GEAF	
COC(=O)C1=CNC(=O)[C@H]([C@@H](C)O)[C@@H]1Cc1nccc2c1[nH]c1ccccc12	14583382	KSPXMTWHAXXRIJ-YRILPIOLSA-N	379.416	2.059	0	1	GEAF	biogenic
COc1cc([C@H]2Oc3ccc4ccc(=O)oc4c3O[C@H]2CO)cc(OC)c1O	13400371	QLFQDIADUIVNRF-MAUKXSAKSA-N	386.356	2.389	0	1	GEAF	biogenic
Cc1nc2cccnc2n2c(-c3cc(O[C@H]4COC[C@@H]4O)ccc3Cl)nnc12	145733138	GBEHIERNTCEIGH-HOTGVXAUSA-N	397.822	2.440	0	1	GEAF	
O=C(C1CCC1)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)Cc1ccccn1	95893496	QWGSTTYRPHGXAL-TUNNFDKTSA-N	391.471	2.126	0	1	GEAF	
CCC(=O)Nc1ccc2c(c1)OC[C@H](C)NC[C@@H](C)[C@@H](OC)CN(C)C2=O	95688588	ACBVZQMFXFPRGI-GLJUWKHASA-N	377.485	2.129	0	1	GEAF	
O=C(Cc1cccs1)N[C@@H]1CO[C@@H]2[C@H]1OC[C@@H]2n1cc(-c2ccccc2)nn1	25427816	LBCMWAWSWDTUFN-UMGGQSCQSA-N	396.472	2.073	0	1	GEAF	biogenic
O=C(c1ccncc1)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2C(=O)CC1CC1	95794025	JHGBJZJGBUIJRW-TZIWHRDSSA-N	391.471	2.063	0	1	GEAF	
O=C(c1ccccn1)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2C(=O)C1CCC1	95866716	OHFUWEOGWTZGHX-UXHICEINSA-N	391.471	2.063	0	1	GEAF	
O=C(O)c1ccnc(-c2cn([C@H]3CCCN(C(=O)Cc4ccccc4)C3)nn2)c1	473136454	RRHMCXISRVRNJZ-KRWDZBQOSA-N	391.431	2.445	0	1	GEAF	
C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2c(Cl)cnc(Cl)c2[nH]1	586937885	GRRWEIJKVHTEIQ-LURJTMIESA-N	375.241	2.038	0	1	GEAF	
CCOC(=O)CCOCCCOCCc1nc2cc3nc(O)[nH]c3cc2[nH]1	587570288	VDCFXWBZWVTGST-UHFFFAOYSA-N	376.413	2.064	0	1	GEAF	
NC(=O)c1cccc2nc([C@@H](N)CCCNC(=O)OCc3ccccc3)[nH]c12	587259043	CYKAPGTTXJCLAL-HNNXBMFYSA-N	381.436	2.368	0	1	GEAF	
O=C1CCC[C@H](c2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)CC1	586884045	GINDFUNZRIMITJ-ZDUSSCGKSA-N	377.466	2.201	0	1	GEAF	
COc1cc(Br)c([C@H](N)c2nc3cc(N)ncc3[nH]2)cc1OC	586974557	DTGMOXAGCFUJAF-AWEZNQCLSA-N	378.230	2.368	0	1	GEAF	
O=C(NC[C@@H]1CCCO1)c1ccc(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C(=O)O)cc1	13153341	BHCOCGLYBMEHSY-PSOLEGPJSA-N	384.432	2.057	0	1	GEAF	
COC(=O)Cc1ccc(OC[C@H](O)CN2CCN(c3ccccc3C)CC2)cc1	1857647724	MKDLOHRBMAELGX-HXUWFJFHSA-N	398.503	2.272	0	1	GEAF	
CCNC[C@@H]1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn4c3c2OC[C@@H]4C)C1	5843426	LLCOQPLUQLDBRS-RYUDHWBXSA-N	389.427	2.228	0	1	GEAF	
CC(=O)N[C@@H](Cc1ccccc1)C(=O)O[C@@H](/C=C/C=C\C=C\C(=O)O)[C@]1(C)CO1	13309515	UKDOGRQIIQQZBO-KSWSXQAESA-N	399.443	2.188	0	1	GEAF	
CCOC(=O)C[C@H]1CNC(=O)c2cc(Br)c(Br)n21	28541950	ZUYPAYZEOBAJDN-LURJTMIESA-N	380.036	2.251	0	1	GEAF	biogenic
CC(C)C[C@H](NC(=O)c1ccc2ccccc2c1)C(=O)N[C@H]1CCOCC1=O	29572025	FALOEHQSDCXAAH-OALUTQOASA-N	382.460	2.459	0	1	GEAF	
CCN1CCN(C(=O)c2cnn(-c3ccccc3Cl)c2NC(C)=O)CC1	82055904	YJWDAWCTEUUYCX-UHFFFAOYSA-N	375.860	2.262	0	1	GEAF	
C[C@@H]1CN(Cc2ccccn2)C[C@H]1c1nc2c(cnn2C2CCOCC2)c(=O)[nH]1	95579120	JBTGYAXCRIIETN-RDTXWAMCSA-N	394.479	2.102	0	1	GEAF	
COC(=O)c1ccc2c(c1)[n+]([O-])c(C(=O)c1cccs1)c(C(F)(F)F)[n+]2[O-]	96911051	HIEYWEHRKASOTQ-UHFFFAOYSA-N	398.318	2.205	0	1	GEAF	
CC(C)Oc1nccc2[nH]nc(-c3ccnc(C(=O)N4C[C@@H]5C[C@H]4CO5)c3)c12	143265779	RROVYAUZQJOFIR-KBPBESRZSA-N	379.420	2.420	0	1	GEAF	
CCC(=O)Nc1nc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cs1	169341207	WQTCBZWAGOITIP-UHFFFAOYSA-N	381.479	2.180	0	1	GEAF	
Clc1ncn(-c2csc(N3CCOCC3)n2)c1I	299834379	XIRMGJLGVUFNAD-UHFFFAOYSA-N	396.641	2.423	0	1	GEAF	
CS(=O)(=O)N1CCc2c(ccc(-c3nc4cncc(Cl)c4[nH]3)c2N)C1	586954817	HLCYJBBCKRGUSO-UHFFFAOYSA-N	377.857	2.178	0	1	GEAF	
CC[C@H](C)n1ncc(I)c1-c1nc2nc(N)ncc2[nH]1	587180708	KCUNCZSRVRPLFG-LURJTMIESA-N	383.197	2.374	0	1	GEAF	
COC(=O)c1ccc2nc([C@@H](N)CCCNC(=O)OCc3ccccc3)[nH]c2n1	587260184	UIPRHSVYARFXJX-AWEZNQCLSA-N	397.435	2.451	0	1	GEAF	
CCc1ccc2c(c1)[C@@]1(Oc3cc(OC)cc4c3C(=O)[C@H]1C4)C(=O)N2CC(=O)O	587434877	BPMFBEUGNSNBMC-QRQCRPRQSA-N	393.395	2.332	0	1	GEAF	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cnc(O)n(C)c2=O)N1	587792232	HMMDDNUNDUVQSG-PWJLMRLQSA-N	382.233	2.185	0	1	GEAF	
CCCCC[C@H](O)C=C[C@@H]1C(=O)C[C@H](O)[C@H]1CC=CCCCC(=O)NCCO	2356647978	KEYDJKSQFDUAGF-MUGJNUQGSA-N	395.540	2.275	0	1	GEAF	
O=C(NCc1cccc(Cl)c1)[C@@H]1CCC(=O)N(CCCN2CCCC2=O)C1	12455757	XKEABYHRZDBCRX-MRXNPFEDSA-N	391.899	2.207	0	3	GEAF	
CCn1cc(CN2CCC[C@@H](CNS(=O)(=O)Cc3ccccc3)C2)cn1	12703543	RUWJBFSFNOUPAV-SFHVURJKSA-N	376.526	2.235	0	3	GEAF	
Cc1c(N2CC[C@](N)(CF)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12	6520892	OBMRNVDWSAWQBS-IBGZPJMESA-N	377.391	2.200	0	1	GEAF	
COc1cc([C@@H]2[C@@H]3C(=O)N(C)C(=O)[C@@H]3ON2C)ccc1OCc1ccccc1	28647523	VTPMLOWKFNLFAS-IPMKNSEASA-N	382.416	2.176	0	1	GEAF	
CC1(C)Oc2cc(CC3=C(c4ccc(O)cc4)C(=O)NC3=O)ccc2C[C@H]1O	2356661580	HHIRVNNDHTUHTB-GOSISDBHSA-N	379.412	2.119	0	1	GEAF	
COc1ccc([C@]2(O)c3cc4c(cc3C(=O)[C@](C)(O)[C@@H]2C)OCO4)cc1OC	2356748603	KCRPLGSCZIUOOU-JPXSGTFLSA-N	386.400	2.252	0	1	GEAF	
C1=CC(c2noc([C@H]3CCCN3Cc3cccnc3)n2)=CN[C]1N1CCOCC1	2356809494	ORQQGWQLUUTXHJ-GOSISDBHSA-N	393.471	2.124	0	1	GEAF	
CCCS(=O)(=O)NC(=O)[C@@]1(C)CCN(C(=O)c2ccc(F)c(Cl)c2)C1	61926878	WMGLRTAWIBXPTE-INIZCTEOSA-N	390.864	2.187	0	3	GEAF	
COc1c(N2CC[C@H](N)C2)c(F)cc2c(=O)c3c(O)nsc3n(C3CC3)c12	71318668	PAGNERNSMOUOJL-QMMMGPOBSA-N	390.440	2.337	0	1	GEAF	
CCO[C@@H](C1=C[C@H]2C(C)=NN(c3ccccc3)[C@H]2N=C1)[C@H](OC)[C@@H](O)COC	40879528	GQSWTDIVZVIBID-ALGQRKQJSA-N	387.480	2.263	0	1	GEAF	
C#CCNC(=O)C[C@@H]1c2nc(C)sc2C[C@@H]2[C@](C)(CO)[C@@H](O)CC[C@@]12C	33887688	PTXLZDMWVNEGGU-QJJNNQMVSA-N	376.522	2.007	0	1	GEAF	biogenic
CC(C)[C@@H](C)n1cc(-c2ccc(N3CCOCC3)cn2)c2[nH]nc(N)c2c1=O	653806066	NAGJVNORNVHZDU-CYBMUJFWSA-N	382.468	2.422	0	1	GEAF	
COc1cc(Br)cc(C=O)c1OCc1nc2cnnc(O)c2[nH]1	586980640	ZHJDRNZEWYIXAI-UHFFFAOYSA-N	379.170	2.221	0	1	GEAF	
CN(C)S(=O)(=O)c1ccc(OCc2nc3cc(F)cc(C(=O)O)c3[nH]2)cc1	586931844	MAFGSVIHGAZUIK-UHFFFAOYSA-N	393.396	2.230	0	1	GEAF	
CNS(=O)(=O)c1sccc1[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	587448042	HLCOGPAGTMVSMT-PXAZEXFGSA-N	379.459	2.328	0	1	GEAF	
C[C@H]1Oc2ccccc2C=C1[C@H]1c2[nH]cnc2C[C@H]2C(=O)N3CCC[C@H]3C(=O)N21	963224662	SKSMYNQOEQYHHV-OVXHWVBHSA-N	390.443	2.073	0	1	GEAF	
O=c1c(Cl)c(Cl)cnn1C[C@H](CO)NCc1ccnc2ccccc12	169328818	SMHJYQPQEJUBPC-GFCCVEGCSA-N	379.247	2.249	0	1	GEAF	
Cc1c[nH]c2c(Nc3nc(N[C@@H]4CCCC[C@@H]4N)nnc3C(N)=O)cc(F)cc12	205940822	MENVSGVOOLTVHM-QWHCGFSZSA-N	398.446	2.325	0	1	GEAF	
CN(C)S(=O)(=O)c1ccc(NC(=O)COC(=O)C[C@@H]2C[C@H]3CC[C@@H]2C3)cc1	4869949	DGSHOEYQIMAQIL-ZNMIVQPWSA-N	394.493	2.245	0	1	GEAF	
CC(=O)N[C@@H]1[C@@H](c2ccccc2)N(C(=O)COc2ccccc2)CC[C@]1(C)O	2356288291	ADMDBDMTSNLYCR-VSKRKVRLSA-N	382.460	2.295	0	1	GEAF	
Nc1cc(O)nc2c1c(-c1ccccc1)nn2-c1ccc(S(N)(=O)=O)cc1	103215082	ASJHFULLLHUCAA-UHFFFAOYSA-N	381.417	2.023	0	1	GEAF	
CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OCCOCCOC	29340558	SBQNXJKQGLWJLB-UHFFFAOYSA-N	387.908	2.036	0	1	GEAF	
CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccco1)C(N)=O	64527516	UBLABFFFYMMDQE-QRTARXTBSA-N	377.485	2.365	0	1	GEAF	
Nc1cnc(-c2ccc(-c3cccnc3C(=O)N3CCOCC3)cc2F)cn1	224733754	VDWGOXSKIXLEGI-UHFFFAOYSA-N	379.395	2.399	0	1	GEAF	
Cc1ccc(-c2nc(C(=O)N3CCC[C@H](C(=O)N4CCCNCC4)C3)co2)cc1	82069476	BDJQAUZMZHRFMU-SFHVURJKSA-N	396.491	2.324	0	1	GEAF	
CCOC(=O)C[C@H](C)Nc1nc(N2CCN(c3ccccn3)CC2)ncc1C	82203832	RWRHQNUHUKLXJK-INIZCTEOSA-N	384.484	2.260	0	1	GEAF	
NC(=O)c1ccc(NC(=O)[C@H]2CNC[C@@H]2c2cccc(F)c2)c2cccnc12	143717660	ZPPZCXJBRXNTAK-SJORKVTESA-N	378.407	2.415	0	1	GEAF	
COc1ccc(C(=O)N2CC[C@@H]3NC(=O)N(c4cccc(OC)c4)C(=O)[C@H]32)cc1	25410365	JIDMYONQBHKTOS-ROUUACIJSA-N	395.415	2.043	0	1	GEAF	biogenic
O=C(NCC[C@H](O)C(=O)O)c1ncc2cc(Oc3ccccc3)ccc2c1O	146745175	IGBKLAZQWUSTAU-INIZCTEOSA-N	382.372	2.298	0	1	GEAF	
COCCN(C[C@H]1[C@H](c2ccccc2)[C@@H](CO)N1C(C)=O)C(=O)c1ccccc1	95895313	QAESFJNZMCYAIN-BDTNDASRSA-N	396.487	2.151	0	1	GEAF	
C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc(Br)cnc2[nH]1	586960088	VCFNIMUPHOWVOF-CQSZACIVSA-N	397.254	2.189	0	1	GEAF	
COC(=O)CC[C@@]1(C(=O)OC)N[C@H](C)Cc2ccc(F)c(Br)c21	587809346	REKQMGOHFNKUJC-JDNHERCYSA-N	388.233	2.444	0	1	GEAF	
C[C@H]1CN(c2c(F)c(N)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2Cl)CCN1	13649693	RSQVIMLIVULNSI-QMMMGPOBSA-N	394.834	2.207	0	1	GEAF	
O=C1C[C@@]2(C(=O)O[C@H](CO)[C@H]2c2c[nH]c3ccccc23)c2ccc(O)cc2N1	169638263	YCPGZQUKISRNEG-YFVAEKQCSA-N	378.384	2.155	0	1	GEAF	
NC(=O)[C@@H](NC(=O)c1cnc(C2CC2)c(OCC2CC2)n1)c1ccc(F)cc1	207393150	LSSURWFTLSWIDD-INIZCTEOSA-N	384.411	2.238	0	1	GEAF	
NS(=O)(=O)c1ccc(N2C(=O)C[C@H](C(=O)O)[C@H]2c2ccc(Cl)cc2)cc1	1857573044	AXVLQOCBWGDELE-GOEBONIOSA-N	394.836	2.166	0	1	GEAF	
CC=C1CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@@H](N)C[C@H]1[C@@]2(CO)C(=O)OC	2356434414	QMJONXXIALRJAC-NIRMNWTQSA-N	383.492	2.142	0	1	GEAF	
CC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CC[C@]2(O)CCCC[C@@H]2C1	4296115	QERMCNMDQTUPII-YVWKXTFCSA-N	394.537	2.206	0	1	GEAF	
C[C@@H]1CCC[C@H](NC(=O)C2CCN(S(=O)(=O)N3CCCCC3)CC2)[C@@H]1C	4686741	FUGVBRYQGMKFNW-NUJGCVRESA-N	385.574	2.370	0	3	GEAF	
O=S(=O)(NC[C@@H]1COCc2nc3cccnc3n21)c1ccc(Cl)cc1	2356391130	KAKRWECUHZIVBA-GFCCVEGCSA-N	378.841	2.135	0	1	GEAF	
CCCOc1cccnc1C(=O)N1C[C@@H]2CN(c3nc(C)cc(C)n3)C[C@H]2C1	116826741	UGSRPYQZXOZSNE-IAGOWNOFSA-N	381.480	2.486	0	1	GEAF	
C[C@@]1(C(=O)NS(=O)(=O)c2ccc(Cl)cc2)CCN1C(=O)c1ccccc1	61896681	JFKASVFBXGWHNU-SFHVURJKSA-N	392.864	2.450	0	3	GEAF	
CC(C)Nc1nc(-c2ccc(F)c(S(C)(=O)=O)c2)cc2ncn(C)c(=O)c12	115624146	UYGQWYUOTCHIGY-UHFFFAOYSA-N	390.440	2.358	0	1	GEAF	
CC(C)NC(=O)N[C@H]1CCN2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@@H]2C1	3840266	DIQZKRIYDHVMMM-HZMBPMFUSA-N	382.823	2.486	0	1	GEAF	biogenic
CC(C)N1CCC(Oc2ccc3c(n2)CCN(c2ccc(C(N)=O)cn2)C3)CC1	34962110	SUSZBLBZGPDXED-UHFFFAOYSA-N	395.507	2.390	0	1	GEAF	
COc1cc2c(cc1OC)[C@]1(OC(=O)c3c(ccc(OC)c3O)C1=O)N(C)CC2	14768439	ZCYKZKHWXPZUDQ-OAQYLSRUSA-N	399.399	2.112	0	1	GEAF	biogenic
CN1CCN(c2ccc(C(=O)Nc3cc(-c4ccncc4)c[nH]c3=O)cc2)CC1	35996921	GPWFEKSGAWXQOP-UHFFFAOYSA-N	389.459	2.441	0	1	GEAF	in-vitro
COc1ccc([C@@H]2Oc3cc(OC)c(OC)c(OC)c3C(=O)[C@@H]2O)cc1OC	40420777	ZSTDIJUTEZNPGU-ROUUACIJSA-N	390.388	2.407	0	1	GEAF	
COCCn1c(CN2CCN(c3ncc(Cl)cn3)CC2)nc2ccccc21	45347385	CVWSJJBPQWZTHO-UHFFFAOYSA-N	386.887	2.448	0	1	GEAF	
C/C=C(/C)C(=O)O[C@H](C1=C(C)[C@H](O)OC1=O)[C@]1(C)[C@@H](C)[C@H]2CC[C@H]1[C@H](OC)O2	257657039	YEMKZDPASIYASW-PJLFJYOPSA-N	394.464	2.480	0	1	GEAF	endogenous,in-man
CCC(=O)c1c(C)nn(CCCN2CCN(c3ccc(C)cc3)CC2)c(=O)c1N	473118912	MAJNPSNGIGVCPU-UHFFFAOYSA-N	397.523	2.247	0	1	GEAF	
CCCCS(=O)(=O)N[C@@H](c1nc2c(S)nc(S)nc2[nH]1)C(C)C	586933231	NXUZEPKFVKROAG-MRVPVSSYSA-N	375.545	2.347	0	1	GEAF	
CCOC(=O)C1(C(=O)OCC)N[C@@H](C)Cc2cc(Br)c(F)cc21	587793435	FCGAMZPXEASTQS-VIFPVBQESA-N	388.233	2.444	0	1	GEAF	
COc1cc2c3c(c1)O[C@@](C)(c1ccc(O)c(NS(C)(=O)=O)c1)[C@@H](C2)C3=O	587448616	KOGLBSVAIRYUEQ-DJJJIMSYSA-N	389.429	2.435	0	1	GEAF	
NC(=O)c1cccc(NC(=O)/C=C\C(=O)N2CCC[C@@H](Oc3ccccc3)C2)c1	1772588131	RROZUMONXJGWHO-YAINUAMHSA-N	393.443	2.350	0	1	GEAF	
COc1cc2c(cc1OC)CN(Cc1cnc3nc(N)nc(N)c3c1C)CC2	5891434	MMSIAUDANZHRRG-UHFFFAOYSA-N	380.452	2.073	0	1	GEAF	
COc1cc(-c2cnc3c(N4CCS(=O)(=O)CC4)snc3c2)ccc1N	1857748264	XHEXVJTZDYEEOY-UHFFFAOYSA-N	390.490	2.184	0	1	GEAF	
COc1ccc(CCNC(=O)CN2C[C@@H](c3ccccc3)CC2=O)cc1OC	4928058	AWRCIJJDCGBYTK-SFHVURJKSA-N	382.460	2.379	0	1	GEAF	
C[C@@]1(NCC2CCN(Cc3ccccc3)CC2)c2ccc(=O)[nH]c2CC[C@H]1O	26979815	HDVGLNSYFCVPTD-FYYLOGMGSA-N	381.520	2.399	0	1	GEAF	
OC1(COc2cccc3ccc(-c4nnc5ccccn45)nc23)CCNCC1	117652586	ILKOWNVFKVGQKA-UHFFFAOYSA-N	375.432	2.438	0	1	GEAF	
CN1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn([C@H]4C[C@H]4F)c3c2F)CC1	27088818	CRRCJBNQFFUWNT-YPMHNXCESA-N	381.354	2.013	0	1	GEAF	
CS(=O)(=O)c1ccc(C(=O)NCCCCC(=O)Nc2ccccc2N)cc1	117585361	MIPOQJKACZIHHS-UHFFFAOYSA-N	389.477	2.211	0	1	GEAF	
O=C1O[C@@H]2[C@@H]3[C@H]([C@@H]1C[C@H]2O)N(c1ccccc1)C(=S)N3Cc1cccs1	2356830983	JKSGIMZOACMFFD-QEOTZNIISA-N	386.498	2.399	0	1	GEAF	
COCCOC(=O)C1=C(C)NC(=S)N[C@H]1c1coc2ccc(C)cc2c1=O	71342027	SSOOCDMKAYHDLE-INIZCTEOSA-N	388.445	2.084	0	1	GEAF	
CC[C@]1(O)c2cc3n(c(=O)c2COC(=O)[C@H]1OC)Cc1cc2ccccc2nc1-3	299867830	QOCSJEKOVHMDPH-KNQAVFIVSA-N	392.411	2.095	0	1	GEAF	
CN(C)CCn1c(CC(C)(C)C)nc2cc(S(=O)(=O)C3CN(C)C3)ccc21	299832654	KAYXDULUFFZBHW-UHFFFAOYSA-N	392.569	2.274	0	1	GEAF	
C[C@]1(C2CC2)c2cc(O)ccc2C[C@@H](C(=O)O)N1C(=O)[C@@H](N)Cc1ccccc1	963728629	HDOYOMHWHLDJBI-JTAQYXEDSA-N	394.471	2.425	0	1	GEAF	
Cn1cc2c(nc(NC(=O)Nc3cccnc3)n3nc(-c4ccco4)nc23)n1	13683575	BOQFZXFCCBOISW-UHFFFAOYSA-N	375.352	2.310	0	1	GEAF	
COc1ccc(C[C@H](N=O)C(=O)NCCc2cnc[nH]2)cc1Br	169715798	ADPGWZRMOCDDKN-ZDUSSCGKSA-N	381.230	2.217	0	1	GEAF	
Cc1cc(-c2ccc(Cl)cn2)[nH]c1C(=O)N[C@H](CN)c1ncc(CO)s1	1857575103	LYJLBRBEPGBBQG-CQSZACIVSA-N	391.884	2.417	0	1	GEAF	
O=C(NCc1cccnc1)c1cncc(NS(=O)(=O)c2ccc(F)cc2)c1	21931240	MWQAECOJMCZSPJ-UHFFFAOYSA-N	386.408	2.347	0	1	GEAF	
FC(F)(F)c1nc(NC[C@H]2CCCO2)c2nnn(C[C@@H]3CCCCO3)c2n1	84709727	DLBMSEXWUVTVDA-MNOVXSKESA-N	386.378	2.400	0	1	GEAF	
CC(=O)N1CCN(c2ncc(C(=O)NCC3CC3)c(-c3ccc(F)cc3)n2)CC1	82215005	JQMMVBCTUHDOMJ-UHFFFAOYSA-N	397.454	2.091	0	1	GEAF	
CC(C)NC(=O)N(C)C[C@@H]1Oc2c(cccc2N(C)C)C(=O)N(C)C[C@H]1C	95662502	DLRFYPBLXGENKV-PBHICJAKSA-N	376.501	2.272	0	1	GEAF	
COC1CCC2(CC1)Cc1ccc(C3=C[C@H](O)CC3)cc1[C@]21N=C(N)N(C)C1=O	140835338	RTVDLYZFLHMNIS-PJJAJLGPSA-N	395.503	2.338	0	1	GEAF	
CS(=O)(=O)N1CCc2c(ccc(-c3nc4ccc(F)c(F)c4[nH]3)c2N)C1	586955965	XJUDGMHHLSPKCQ-UHFFFAOYSA-N	378.404	2.408	0	1	GEAF	
CO[C@H]1O[C@H](C)[C@@H](NC(=O)OCC(Cl)(Cl)Cl)[C@@H]2OC(C)(C)O[C@@H]12	17220522	YFKJKRUBPJRRGY-SPFKKGSWSA-N	392.663	2.363	0	1	GEAF	
O=C1[C@H](c2nnnn2-c2ccc(F)cc2)N(C2CC2)C(=O)N1c1ccccc1	206054165	RKHQCRKYGMPIAH-INIZCTEOSA-N	378.367	2.474	0	3	GEAF	
O[C@@H]1[C@H](NCCCc2ccccc2)[C@H]2CO[C@@H](O2)[C@@H]1n1cnc2ccccc21	2356296307	LETHGYBXWPNUDZ-LMYCIYFBSA-N	379.460	2.284	0	1	GEAF	
CC(=O)Nc1ccc(OC[C@@H]2CC[C@H]3CN(c4ncccn4)CCN3C2)cc1	27854027	CWRQNZXCKKVFTG-MJGOQNOKSA-N	381.480	2.415	0	1	GEAF	
O=C(O)[C@@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C(=O)Nc1cccc(I)c1	64526448	DSZYTEBTYUKNNT-NOOOWODRSA-N	387.173	2.108	0	1	GEAF	
CN(C[C@H]1CCCN1S(=O)(=O)c1ccc2c(c1)C(=O)C(=O)N2)c1ccccc1	26147949	FQCPNKOAAITTSG-OAHLLOKOSA-N	399.472	2.111	0	1	GEAF	
CN1CCN(c2ccc([C@H]3C[C@@H]3C(=O)N3CCN(C4CCC4)CC3)cc2)C1=O	113838423	DMMCUDUSMNFCHZ-UXHICEINSA-N	382.508	2.359	0	1	GEAF	
C[C@]1(NCC2CCN(Cc3ccccc3)CC2)c2ccc(=O)[nH]c2CC[C@H]1O	26979806	HDVGLNSYFCVPTD-GGAORHGYSA-N	381.520	2.399	0	1	GEAF	
COC1CCC([C@H](C)Nc2nc(N3CCC(C(N)=O)CC3)ncc2C)CC1	82203972	NLXFOEVCKQUTBL-UQPPLGOBSA-N	375.517	2.492	0	1	GEAF	
COc1cc2nc(NC[C@H](O)CO)nc(NCCC(C)(C)C)c2cc1OC	82129422	ASQHJKQVJWIKGF-LBPRGKRZSA-N	378.473	2.260	0	1	GEAF	
Cc1cnc(-c2cc(N3CCN(S(C)(=O)=O)CC3)ncc2Cl)c(C)c1	142362155	XSHSYBCIODFEIY-UHFFFAOYSA-N	380.901	2.495	0	1	GEAF	
O=C(Cc1ccccc1)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)C1CC1	95893280	HGGQDUDEIVKXDI-URVUXULASA-N	376.456	2.341	0	1	GEAF	
CC(C)C(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)O)O[C@@H]1CO2	95891911	JZXHOMCODGESNA-FRFSOERESA-N	390.436	2.136	0	1	GEAF	
CCS(=O)(=O)c1ccc2nc(Cc3ccccc3NS(C)(=O)=O)[nH]c2c1	586949623	WOEKVTBRIWKWCP-UHFFFAOYSA-N	393.490	2.319	0	1	GEAF	
FC(F)c1c(-c2nc3ccc(CN4CCOCC4)cc3[nH]2)cnc2ncnn12	587128553	OTWCSYYBNXZGMU-UHFFFAOYSA-N	385.378	2.437	0	1	GEAF	
COc1cc2c3c(c1)O[C@H]([C@@H]1COCCN1C(=O)OC(C)(C)C)[C@@H](C2)C3=O	587436900	UZCIIKIIAOTOIO-DEYYWGMASA-N	375.421	2.447	0	1	GEAF	
CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2ccc(S(=O)(=O)O)cc2[nH]1	587194593	WBWQDLXLEOWRTH-ZDUSSCGKSA-N	398.485	2.327	0	1	GEAF	
CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2ccc(Br)c(O)c2[nH]1	587205130	XWQWPRILSIDXJI-JTQLQIEISA-N	383.246	2.110	0	1	GEAF	
CC(=O)N1C[C@H]2C[C@H](Nc3nc(Nc4cnn(C)c4)ncc3Cl)C[C@H]2C1	1772643621	NVOWVAXHMPUOCA-ITGUQSILSA-N	375.864	2.276	0	1	GEAF	
COc1ccc2c(c1)C[C@@H](N1CCN(c3cccc4c3OCCO4)CC1)[C@H]2O	13471773	GMBUBVLUQFAQMU-CTNGQTDRSA-N	382.460	2.247	0	1	GEAF	
O=C1NC(=O)/C(=C/c2cnn3c(NC4CC4)cc(NC(C4CC4)C4CC4)nc23)N1	205049059	KIYHOFCCZFIBCJ-AUWJEWJLSA-N	393.451	2.084	0	1	GEAF	
C[C@H](O)CN(C[C@@H](C)O)c1ccc2nc(O)c(Cc3ccc(F)cc3)nc2n1	766743	JOUGJSXPBYZBBJ-BETUJISGSA-N	386.427	2.028	0	1	GEAF	
O=C1Nc2ccc(Cl)cc2C(c2ccccc2Cl)=N[C@@H]1OC[C@H](O)CO	2002541	RUZTZHORWNXEDM-ADLMAVQZSA-N	395.242	2.479	0	1	GEAF	
COc1ccc(S(=O)(=O)NC[C@@H]2COCc3nc4cc(C)ccc4n32)cc1	2356305381	XZYXBCWMVMAXAD-CQSZACIVSA-N	387.461	2.403	0	1	GEAF	
CC(=O)N1CC[C@H]2c3c(nc(-c4ccc5c(c4)OCCO5)[nH]c3=O)S[C@H]2C1	28524428	KMFHEPNXBGOZDT-DOMZBBRYSA-N	385.445	2.018	0	1	GEAF	
Cc1ccccc1S(=O)(=O)NC(=O)[C@@]1(C)CCN1C(=O)c1cccc(F)c1	61903505	OCVUKPREFCBBFD-LJQANCHMSA-N	390.436	2.244	0	3	GEAF	
Nc1ncnc2c1ncn2[C@@H]1C=C[C@@H](CO[P@](=O)(O)Oc2ccccc2)O1	26659447	NJHIDMZOPYPVEJ-STQMWFEESA-N	389.308	2.058	0	1	GEAF	
CN(C)CC(=O)Nc1n[nH]c2ccc(-c3cn(Cc4ccccc4)nn3)cc12	63298312	FLHJZUQGFPJXRD-UHFFFAOYSA-N	375.436	2.370	0	1	GEAF	
O=C(O)c1ccccc1NC(=O)N1CCN(c2cnc3cccc(O)c3n2)CC1	28969627	KMBGPNPGHCQSAW-UHFFFAOYSA-N	393.403	2.388	0	1	GEAF	
COCCC(=O)N[C@@H]1CC[C@]2(C)CC[C@H]([C@H](C)C(=O)NC3CC3)[C@H](O)[C@H]2[C@@H]1C	2356511648	LRHGNUOEJXAQAC-UEOWUIEBSA-N	394.556	2.246	0	1	GEAF	
Cn1c(=O)c(C2=C[C@@H](c3ccccc3O)NNC(=S)N2)c(O)c2ccccc21	3846549	YFXDSVGZJBPXFL-ZDUSSCGKSA-N	394.456	2.014	0	1	GEAF	biogenic
CCCCn1nnnc1[C@@H](CC)N1CCC2(CC1)C(=O)NCN2c1ccccc1	72135965	BYHUUPHQQOJETQ-GOSISDBHSA-N	397.527	2.353	0	3	GEAF	
O=C(NCC[C@@H]1CC[C@@H](NC(=O)C2CCCC2)[C@@H](CO)O1)c1ccc(F)cc1	95903429	PCXDMLTYWGHPKQ-IPMKNSEASA-N	392.471	2.161	0	1	GEAF	
C[C@@]12CC[C@H]3OCOC[C@@]3(C)[C@H]1CC[C@@]1(CO1)[C@H]2C/C=C1/C(=O)OC[C@H]1O	96938004	VMYYGIOSWBJAKZ-HHIVTNIDSA-N	378.465	2.195	0	1	GEAF	
CCN(C[C@H]1N[C@H](CO)[C@H]1c1ccc(-c2ccc(F)cc2)cc1)C(=O)COC	95895737	JTUOZIKDJHIQCB-SJBKTWHCSA-N	386.467	2.404	0	1	GEAF	
NCc1ccc(N[C@H](C[P@](=O)(O)[C@H](N)CCc2ccccc2)C(=O)O)cc1	253656115	SEVVAYQNZXCWLX-MSOLQXFVSA-N	391.408	2.198	0	1	GEAF	
COc1cc2c3c(c1)O[C@@](c1cccc(Br)c1)(C(O)O)[C@@H](C2)C3=O	587416891	HMSMARRFQKZWGT-SCLBCKFNSA-N	391.217	2.411	0	1	GEAF	
CC1(C)COC(c2cccc(-n3c(O)cc([C@@H](CC(=O)O)C(=O)O)c3O)c2)=N1	587934156	BPVNIXPAAPVWSS-CYBMUJFWSA-N	388.376	2.087	0	1	GEAF	
Cc1ccn2nc([C@@H](C)n3cnc4c(N)ncnc43)n(-c3ccccc3)c(=O)c12	205594282	DVPZDGIXWQJOGJ-CYBMUJFWSA-N	386.419	2.125	0	1	GEAF	
O=C(O)c1ccc(N2CC(=O)N(S(=O)(=O)c3ccc(Cl)cc3)C2=O)cc1	13763624	TUHBNHWTGOEXHH-UHFFFAOYSA-N	394.792	2.196	0	1	GEAF	
CN1CCN(C2=Nc3cc(OS(C)(=O)=O)ccc3Nc3ccccc32)CC1	13798269	CCMSWCPOSSFEQM-UHFFFAOYSA-N	386.477	2.408	0	1	GEAF	
COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OCCCCCC(=O)O	26831701	WWTCDGULAKAMHM-UHFFFAOYSA-N	390.440	2.273	0	1	GEAF	
CC1(C)CCN(NC(=O)[C@H](CCC(=O)O)NC(=O)c2cccc(Cl)c2)CC1	27211689	FFEZLWBVUNSGJQ-HNNXBMFYSA-N	395.887	2.456	0	1	GEAF	
COC(=O)CCCNC[C@H]1CCN(C(=O)Nc2ccc(COC(C)=O)cc2)C1	64448272	VNVUDYZVJJIEOC-QGZVFWFLSA-N	391.468	2.146	0	1	GEAF	
CCCNC(=O)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2Cc1ccccn1	95794680	YGYMJHANAHVBIU-UXHICEINSA-N	380.492	2.216	0	1	GEAF	
O=C(C1CCCC1)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2Cc1cncnc1	95797468	JNVDFCJTYQMKEH-NHCUHLMSSA-N	392.503	2.208	0	1	GEAF	
O=C(Nc1ccc(F)cc1)N[C@@H]1CC[C@H](CC(=O)N2CCCCC2)O[C@@H]1CO	95906015	KCKILWFDBJPGIO-KZNAEPCWSA-N	393.459	2.258	0	1	GEAF	
O=C(Nc1cccnc1)[C@@H](Cc1ccccc1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1	100998850	WELKZAWFSWQSIC-LERVOYGESA-N	387.439	2.439	0	1	GEAF	
O=C1C[C@@H](Cc2ccccc2)NC(=O)[C@H]1C(=O)Nc1ccc(-n2ccnc2)cc1	169727288	ZAJZGCBEMFZEID-YLJYHZDGSA-N	388.427	2.127	0	1	GEAF	
CC1(C)CCC[C@@]2(C)[C@H]1[C@H](OC(=O)/C=C\C=C/C(=O)O)C=C1COC(=O)[C@@]12O	238784008	WWELYLJKFRXUQW-YANIGRNASA-N	390.432	2.156	0	1	GEAF	
Cn1cc2c(n1)CCC[C@]21N[C@H](C(=O)O)Cc2cc(OC(F)(F)F)ccc21	962631540	KZXKJTYLKOSZOS-DOTOQJQBSA-N	381.354	2.498	0	1	GEAF	
CCN(CC)C(=O)[C@H](C)[C@@H]1CC[C@]2(C)CC[C@H](NC(=O)COC)[C@H](C)[C@H]2[C@@H]1O	2356609737	LPSKKVXXWOGLFU-KBOSYZQQSA-N	396.572	2.445	0	1	GEAF	
CN1[C@H]2CC[C@@H]1CN(c1c(F)cc3c(=O)c(C(=O)O)cn(CCF)c3c1F)C2	13650301	FAVYHRZNFURLMP-PHIMTYICSA-N	395.381	2.230	0	1	GEAF	
CN(C)[C@@H](c1ccccc1)c1nc(=O)c(O)c(C(=O)NCc2ccc(F)cc2)[nH]1	14979601	RUBHAOAJRSDKHD-KRWDZBQOSA-N	396.422	2.196	0	1	GEAF	
CO[C@@]12COC(=O)[C@H]1[C@@H](c1ccc3c(c1)OCO3)c1cc3c(cc1O2)OCO3	17249958	LKMOYPCVIIXXNG-NLWGTHIKSA-N	384.340	2.184	0	1	GEAF	
CN1Cc2ccccc2C[C@H]1CNC(=O)c1cn(Cc2ccccc2F)nn1	20255281	JDVXGNMQPBIIHN-SFHVURJKSA-N	379.439	2.252	0	1	GEAF	
CC1(C)S[C@H]2[C@H](NC(=O)N/C=C/c3ccc(Cl)cc3)C(=O)N2[C@H]1C(=O)O	28254152	ONQGTRRLUIXXKW-IOLNVNPQSA-N	395.868	2.125	0	1	GEAF	
N=C(N)NCCC[C@@H](NC(=O)c1ccc(-c2cccc(Cl)c2)o1)C(=O)O	28707127	CXXNMJZTRZBPCP-GFCCVEGCSA-N	378.816	2.046	0	1	GEAF	
C[C@H]1CSc2c(C(=O)O)c(=O)c3cc(F)c(N4CC[C@@H](N)C4)c(F)c3n21	63539366	BJABYARMBVPDHZ-JGVFFNPUSA-N	381.404	2.182	0	1	GEAF	
CN(CC(=O)N1CCCNCC1)C(=O)c1csc(-c2ccc(Cl)cc2)n1	82085718	VMPPAAHDLAKPIF-UHFFFAOYSA-N	392.912	2.357	0	1	GEAF	
C[C@@H]1CNc2c(NCc3ccc(O)cc3)c(=O)n(Cc3ccccc3)c(=O)n21	82210778	FWDUMRBAXQWFKH-CQSZACIVSA-N	378.432	2.363	0	1	GEAF	
COCON1C(=O)[C@H](CC(C)C)N(Cc2ccccc2)[C@@H]([C@H](O)C(C)C)C1=O	84690347	RCWBIAUYXCVPCA-GBESFXJTSA-N	392.496	2.193	0	1	GEAF	
CC1=C[C@@H]([C@@H]2O[C@@H]3CCCN4[C@H]([C@@H]5C[C@H](C)C(=O)O5)CC[C@H]4[C@H]3[C@@H]2C)OC1=O	85810548	QAAYWVNRGVTWRB-VQFDKPTRSA-N	389.492	2.456	0	1	GEAF	biogenic,in-vitro
C[C@@]12OCCCCO[C@H]1C([N+](=O)[O-])=C1N(Cc3ccc(Cl)nc3)CCN12	103184630	LIWJOYWXVRGGHK-DOTOQJQBSA-N	380.832	2.224	0	1	GEAF	
O=C(Cn1ncc2c3ccccc3nc-2c1O)NCc1ccc2c(c1)OCO2	103536135	XZINEJZNQMVWEM-UHFFFAOYSA-N	376.372	2.287	0	1	GEAF	
Cc1noc(C)c1Cn1cc(N2C(=O)CN(Cc3ccccc3O)C2=O)cn1	115730791	WFPISTVXDCJCPH-UHFFFAOYSA-N	381.392	2.211	0	1	GEAF	
COCCn1c(NC(C)(C)C)nc2c(-c3cc4c([nH]3)CNC4=O)cccc2c1=O	222339929	LQILNMFAVKTKBG-UHFFFAOYSA-N	395.463	2.492	0	1	GEAF	
O=S(=O)(c1ccc2nc(CCc3cccc(O)c3)[nH]c2c1)N1CCOCC1	586896245	MPLIYRKPMLBSIM-UHFFFAOYSA-N	387.461	2.075	0	1	GEAF	
COc1cc2c3c(c1)O[C@@H]([C@@H]1CN(C(=O)OC(C)(C)C)CCO1)[C@@H](C2)C3=O	587437824	LOICRCNEGXTLPS-DHSIGJKJSA-N	375.421	2.447	0	1	GEAF	
Cc1cc2c(cc1F)[C@@H](c1ccc(S(C)(=O)=O)cc1S(C)(=O)=O)NCC2	962086966	BJMAPCSQKKMZKH-GOSISDBHSA-N	397.493	2.176	0	1	GEAF	
O=C(N[C@H]1CNc2cc(Cl)ccc2NC1=O)c1n[nH]c(Cc2ccccc2)n1	1857539942	JUBDUCFQSMDZLV-HNNXBMFYSA-N	396.838	2.212	0	1	GEAF	
O=C(NCc1ncco1)c1csc(CCNCc2nc3ccccc3[nH]2)n1	1857578588	KQGPYGJDFWZUIP-UHFFFAOYSA-N	382.449	2.270	0	1	GEAF	
CC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CC[C@@]2(O)CCCC[C@H]2C1	263592311	QERMCNMDQTUPII-QRFRQXIXSA-N	394.537	2.206	0	3	GEAF	
CO[C@@H]1[C@H](OCc2ccccc2)[C@H](OCC(=O)O)O[C@@H](CC(C)C)[C@H]1OC	53313195	FKKRIXVGUJIXBK-AXDKOMKPSA-N	382.453	2.474	0	1	GEAF	
CCOc1cc(OCC)n2s/c(=N\C(=O)c3ccc(Cl)nc3)nc2n1	28565484	IUMKNFJPTHHSMW-CYVLTUHYSA-N	379.829	2.378	0	1	GEAF	
CCc1ccc2c(c1)N1C(=O)C[C@@H]3OCC=C4CN(C)CC[C@@]25C(=O)C[C@H]4[C@H]3[C@H]15	2356604355	YVZSCHMJJIWFCR-LQLDXXRJSA-N	392.499	2.472	0	1	GEAF	
Cc1nc(N)nc(-c2c(Nc3cc[nH]n3)nc3ccc(-c4cncnc4)cn23)n1	95557579	VLUBDPDZETYNRC-UHFFFAOYSA-N	385.395	2.001	0	1	GEAF	
COC(=O)c1ccc2nc([C@@H](C)Sc3nc(N)cc(O)n3)[nH]c2c1OC	586962580	SDNQVUZRDLMETR-SSDOTTSWSA-N	375.410	2.289	0	1	GEAF	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)N2CCCc3cc(C(=O)O)cc1c32	587394930	LPYGPTXHYASZDO-OAQYLSRUSA-N	378.384	2.429	0	1	GEAF	
CN1C(=O)[C@@H](NC(=O)c2coc(Cc3ccccc3)n2)COc2ccccc21	1772571088	ZAOHUZJRHLAEQB-INIZCTEOSA-N	377.400	2.419	0	1	GEAF	
O=C(NCc1ccccn1)c1coc(CCNCCc2nc3ccccc3[nH]2)n1	1857544155	LNBJGZJCXVDQPD-UHFFFAOYSA-N	390.447	2.251	0	1	GEAF	
O=C(NCCN1CCOCC1)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccsc1	4049382	NESBXDFJAUCHLA-MJGOQNOKSA-N	385.489	2.288	0	1	GEAF	
CCCSc1nc(=O)c([C@@H]2OC(=O)c3c2ccc(OC)c3OC)c(O)n1C	103940679	XRYYFLKOTCGJGU-CYBMUJFWSA-N	392.433	2.265	0	3	GEAF	
CCc1nc2ccc(C(=O)N(C)CCCN(C)C)cn2c1N(CC)CCOC	61896744	CUGLZKMNECQPIU-UHFFFAOYSA-N	389.544	2.393	0	3	GEAF	
COc1cc(OC)c2c(c1OC)=CN(C)[C@@H]1C=2C=Cc2cc3c(cc21)OCO3	2356825454	HSINNDYYAKZZNQ-OAQYLSRUSA-N	379.412	2.043	0	1	GEAF	
CC(C)Cn1cc([C@@]2(c3cccc(-c4cncnc4)c3)N=C(N)N(C)C2=O)cn1	34803420	GJCACXYIYRCVKX-OAQYLSRUSA-N	389.463	2.026	0	1	GEAF	
CC(=O)Nc1cc(-c2cncc(N3CCOCC3)c2)nc(-n2nc(C)cc2C)n1	42888456	CPUAZCHEZPJRLH-UHFFFAOYSA-N	393.451	2.136	0	1	GEAF	
C/C=C1/CN(C)C[C@@]2(C(=O)OC)Cc3c(n(CO)c4ccccc34)C(=O)C[C@@H]12	238783854	LJEAEZKLTWRSSS-LOOPHNAFSA-N	382.460	2.387	0	1	GEAF	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nc(O)c2c[nH]nc2n1	587869095	AZHMAEPTAZPVAK-UHFFFAOYSA-N	377.286	2.334	0	1	GEAF	
NS(=O)(=O)c1ccc(-n2cccc2[C@@H]2NCCc3c(C(=O)O)cccc32)cc1	963128001	ZBQNQCYFYKAUDW-LJQANCHMSA-N	397.456	2.058	0	1	GEAF	
CN(C)C(=O)c1ccc2c(c1)[C@@]1(CCN3C(=O)c4ccccc4N[C@@H]31)NCC2	962936684	PLEABMQAOACBTF-FCHUYYIVSA-N	376.460	2.027	0	1	GEAF	
O=C(NC[C@@H](O)CN1CCc2ccccc2C1)c1cccc(N[C@H]2CCOC2)c1	1772616200	BLUQQDAYDFHJCP-FCHUYYIVSA-N	395.503	2.036	0	1	GEAF	
Cc1ccc(NC(=O)[C@@H]2[C@@H]3C(=O)N(Cc4cccnc4)C[C@@]34C=C[C@H]2O4)cc1	169364471	KKELNQXQWMMKDJ-MOXWOTFGSA-N	375.428	2.311	0	3	GEAF	
CC[C@H](C(=O)N1CCOCC1)n1nc(C)c2c(C)n(-c3ccccc3)nc2c1=O	6944407	BRUPRDPUXLSFBQ-QGZVFWFLSA-N	395.463	2.009	0	3	GEAF	
CC1=C(Sc2cccc(C(F)(F)F)c2)[C@@H](COCCO)C(=O)NC1=O	102809882	PRHGIYDCDMLXHN-GFCCVEGCSA-N	375.368	2.353	0	1	GEAF	
CC(=O)O[C@H]1[C@@H](C(C)C)[C@]2(C)CC[C@@]3(C)CC[C@H](O)C4=C3[C@@H](OC4=O)[C@H]2[C@H]1O	2356722121	YMAVCQMSHJECFY-JETFJBHGSA-N	392.492	2.364	0	1	GEAF	
CN(C1CCCCC1)S(=O)(=O)N1CCC[C@H](C(=O)NCc2ccco2)C1	36146047	GBLSWALFECXIRH-HNNXBMFYSA-N	383.514	2.117	0	1	GEAF	
CN(C)CCc1cc2c(cc1/C=C1\NC(=O)c3c1ccc1c3OCO1)OCO2	34490823	ZURFNKDWDFKHSG-CHHVJCJISA-N	380.400	2.490	0	1	GEAF	
C=C(CO)[C@@H]1Cc2c(ccc3c2O[C@H]2COc4cc(O)c(OC)cc4[C@H]2C3=O)O1	14420777	ABUBWVZSQKAKIK-FFZOFVMBSA-N	396.395	2.373	0	1	GEAF	biogenic
CCCCNC(=O)c1cnc(N2CCN(C(C)=O)CC2)nc1-c1ccccc1F	82150569	NHZPJKZBBUBVLI-UHFFFAOYSA-N	399.470	2.481	0	1	GEAF	
COc1ccc(Nc2nc3cc(C(N)=O)ccc3n2CCN2CCOCC2)cc1	82191458	IDVZJJDWDAKYAK-UHFFFAOYSA-N	395.463	2.220	0	1	GEAF	
CCCC[C@H](CN(O)C=O)C(=O)N1CC=C[C@H]1C(=O)N[C@@H](C)c1ccccc1	49111389	YLRPNKCRYPTMAP-UHOSZYNNSA-N	387.480	2.285	0	1	GEAF	
O=C(c1ccccn1)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2C(=O)C1CCC1	95796893	OHFUWEOGWTZGHX-WOJBJXKFSA-N	391.471	2.063	0	1	GEAF	
COC(=O)c1ccc2nc(CNC(=O)[C@@H](C)Oc3ccccc3)[nH]c2c1OC	587223346	COQQQVKGCZOTBU-GFCCVEGCSA-N	383.404	2.442	0	1	GEAF	
CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2ccc(S(C)(=O)=O)cc2[nH]1	587194185	NYVOZPZDUKVXAH-AWEZNQCLSA-N	396.513	2.484	0	1	GEAF	
COC(=O)[C@@H]1C(C)(C)CC(=O)C[C@@]12N[C@@H](C(=O)O)Cc1c2cnc2ccccc12	963219018	CLISDJAYXDCIGB-HMFYCAOWSA-N	396.443	2.207	0	1	GEAF	
C[C@]1(CN)CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C1	5929813	KNZIBBYIVPNHHD-LJQANCHMSA-N	377.391	2.488	0	1	GEAF	
COc1c(OS(=O)(=O)O)cc2oc(-c3ccc(O)cc3)cc(=O)c2c1O	14813918	WONZXVKRFAHSAK-UHFFFAOYSA-N	380.330	2.061	0	1	GEAF	biogenic
C[C@]1(c2ccc(OC(F)F)cc2)NC(=O)N(CC(=O)c2cccnc2)C1=O	1857621436	UPUMHFDXDJFNCR-GOSISDBHSA-N	375.331	2.333	0	1	GEAF	
COc1cccc(COC2CN(S(=O)(=O)c3ccc4c(c3)OCO4)C2)c1	1857648788	TZGCVWAVCYNCJU-UHFFFAOYSA-N	377.418	2.014	0	1	GEAF	
CNC(=O)c1c(O)c2c(c3c1O[C@@H]1OCCC[C@@H]1C3)O[C@@H]1OCCC[C@H]1C2	1857746262	GSOHGZIAVKHCRE-VSBNPSRXSA-N	375.421	2.127	0	1	GEAF	
CC(C)[C@@H](NC(=O)Cn1c(-c2ccccc2)ccc(N)c1=O)C(=O)C(F)(F)F	1534634	DKUKYMJFBPYFSS-MRXNPFEDSA-N	395.381	2.370	0	1	GEAF	
COc1cc2c(cc1OC)[C@@]1(C(=O)c3ccc4c(c3[C@H]1O)OCO4)N(C)CC2	40423506	CSJAPFGQQAVKGU-RTWAWAEBSA-N	383.400	2.046	0	1	GEAF	biogenic
O=c1cc(N2CCOCC2)nc(Cc2nc3cc(C(F)(F)F)ccc3[nH]2)[nH]1	84757965	WVVBTZOIMQEYLX-UHFFFAOYSA-N	379.342	2.092	0	1	GEAF	
CCCNC(=O)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2C(=O)C1CCCC1	95798374	RMSYVZAQOTVHGF-RTBURBONSA-N	385.508	2.338	0	1	GEAF	
CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)O)O[C@@H]1CO2	95888586	AQKQROKSGQSFNM-YSVLISHTSA-N	390.436	2.281	0	1	GEAF	
CONC(=O)C(=O)Nc1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1	103236724	CSXDFQYOQHILTK-UHFFFAOYSA-N	385.464	2.135	0	1	GEAF	
COc1cc(/C=C2\C(=O)Nc3ccccc32)ccc1OCC(=O)N1CCOCC1	653912106	CDTMIWXOKBKMHJ-ATVHPVEESA-N	394.427	2.426	0	1	GEAF	
COc1ccc2c(c1OC)[C@@](CS(=O)(=O)N(C)C)(C(C)C)N(C)[C@H](C)C2	962628644	MNRIENAUONWLSN-AUUYWEPGSA-N	384.542	2.323	0	1	GEAF	
CCCCCN1CCN(C[C@@](O)(Cn2cncn2)c2ccc(F)cc2F)CC1	1772597612	WHIHIIXTOXGOEM-HXUWFJFHSA-N	393.482	2.252	0	1	GEAF	
CNC(=O)Nc1cc(Oc2ccncc2)c(-c2ccc(OCCO)nc2)cn1	1857535752	FRLXHUUJKMRCPL-UHFFFAOYSA-N	381.392	2.453	0	1	GEAF	
CC(C)(C)CC(=O)N[C@@H]1[C@H](c2cccs2)N(S(C)(=O)=O)CC[C@@]1(C)O	2356304592	SUQNHRMNMJQLNP-ZMSDIMECSA-N	388.555	2.127	0	1	GEAF	
CC(C)c1nccc(C[C@H]2[C@@H](CO)[C@@H](O)C[C@H]2NC2Cc3ccccc3C2)n1	2356380025	OQLGOQFQJVLDCD-CBPXPLCBSA-N	381.520	2.257	0	1	GEAF	
COc1cccc2nc(C[C@@H]3CN(Cc4cnc[nH]4)CC[C@H]3CC(=O)O)[nH]c12	2356720463	AVFCMUDTPUXTHM-UONOGXRCSA-N	383.452	2.450	0	1	GEAF	
C[C@@H]1N[C@H](CCCCCCCCC[C@H](O)CC(=O)O)[C@H](N2CC=NC2)C[C@@H]1O	2356840404	MQJRCFDXPXHVHL-OMZCGLGVSA-N	397.560	2.157	0	1	GEAF	
O=C(C(=O)N1CCN(C(=O)c2ccccc2O)CC1)c1c[nH]c2ccccc12	3591511	OUAPKCMWBGMZLQ-UHFFFAOYSA-N	377.400	2.041	0	1	GEAF	
O=C(NCCOCCO)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccoc1	4206615	KSTUOCWQRPEVTN-NVXWUHKLSA-N	378.812	2.150	0	1	GEAF	
C[C@@](O)(C(=O)Nc1ccc(S(=O)(=O)c2cccc(O)c2)cc1)C(F)(F)F	13760150	JQXOEXCBLVHYEO-OAHLLOKOSA-N	389.351	2.477	0	1	GEAF	
COc1ccc(CNC[C@H](O)COc2cccc3[nH]c(=O)ccc23)cc1OC	27182366	QOCJBIDDQQKBOO-HNNXBMFYSA-N	384.432	2.075	0	1	GEAF	
CCS[C@@]12O[C@]3(CCCCCN3C1=O)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12	31904783	KEAQETBYJBOAGZ-PBGAUENZSA-N	386.473	2.384	0	1	GEAF	
Cc1cccc(NC(=S)N[C@@H]2CCCCN(CC(=O)N3CCCC3)C2=O)c1	95561691	ROBFJTHBLVFFRU-QGZVFWFLSA-N	388.537	2.285	0	1	GEAF	
O=C(O)C[C@@H]1C[C@@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@@H]2[C@H](CO)O1	95899388	NDCVSESZJQEXEJ-PZFZOXMESA-N	390.436	2.220	0	1	GEAF	
CNC(=O)[C@H](CC(C)C)NC(=O)c1ccc(C2CC2)c(OC[C@@H]2CCCO2)n1	150169826	HFQIXSJGSFSITI-YJBOKZPZSA-N	389.496	2.407	0	1	GEAF	
COc1cccc(OC[C@H]2CN(CC(=O)N3CCc4ccccc43)CCO2)c1	205512247	KJWABLDVLWKPKR-HXUWFJFHSA-N	382.460	2.364	0	1	GEAF	
COc1c(/C=C/C(=O)O)cc(NS(=O)(=O)c2cccs2)c2c1OCO2	209544221	MFEDLAIGUFOVMK-SNAWJCMRSA-N	383.403	2.384	0	1	GEAF	
Cc1nc(C(F)(F)F)n2nc(CCc3nc(N4CCCC4)nn3C)nc2c1C	210589916	XDUDUKBZKQBIIZ-UHFFFAOYSA-N	394.405	2.274	0	1	GEAF	
COc1cc([C@@H]2c3cc(O)c(OC)c(OC)c3C[C@H](CO)[C@H]2CO)ccc1O	238783149	OBUSAZWHMNFNLX-KPAZRMRSSA-N	390.432	2.029	0	1	GEAF	
CC(=O)N[C@@H](Cc1nc2c(N)ncnc2[nH]1)c1ccc(Br)cc1	586985604	PYGTVZADKDDMGU-NSHDSACASA-N	375.230	2.118	0	1	GEAF	
O=C(O)c1nn(Cc2nc3cccc(F)c3[nH]2)cc1I	587185283	JTHJZEVQLRUIQG-UHFFFAOYSA-N	386.124	2.250	0	1	GEAF	
CN(C)C(=O)c1ccc2c(c1)[C@]1(C=CN(CC(=O)O)c3ccccc31)NCC2	962935879	NOUOVJODLGXERX-JOCHJYFZSA-N	377.444	2.196	0	1	GEAF	
COc1ccc([C@@H]2C[C@H](O)[C@H](O)[C@H]2NC(=O)Cc2ccc(Cl)cc2)cc1	2356286945	UEEBETVTTUHWNM-ZULIPRJHSA-N	375.852	2.285	0	1	GEAF	
C[C@H](OC(=O)C=Cc1ccc(O)cc1)[C@@H]1CC[C@H]([C@H](O)[C@@H]2CC=CC(=O)O2)O1	2356767615	DEEHWRGXKJRSMV-GXQAHVQNSA-N	388.416	2.117	0	1	GEAF	
CCCc1nc2nc(C)c(NS(=O)(=O)c3ccc(C)c(C)c3)c(=O)n2[nH]1	103820724	XHZRNAHSAYSJDB-UHFFFAOYSA-N	375.454	2.096	0	3	GEAF	
COc1cccc(C(=O)N2C[C@@H]3CN(c4nc(C)cc(C)n4)C[C@@H]3C2)c1OC	116822071	VKFALDZKVNVMTL-IYBDPMFKSA-N	382.464	2.319	0	1	GEAF	
CCOC(=O)C1=CN(Cc2ccco2)S(=O)(=O)N(C)[C@@H]1c1ccccc1	61958799	LVCBENRBQIOPAO-QGZVFWFLSA-N	376.434	2.460	0	3	GEAF	
C[C@@H]1CN(c2cccc(F)c2)CCN1c1nc(-c2ccncn2)cc(=O)n1C	114419286	QPJNBOBRXJBAJY-CQSZACIVSA-N	380.427	2.092	0	1	GEAF	
CN(C[C@@H]1[C@H](c2ccccc2)[C@@H](CO)N1C(=O)C1CCC1)C(=O)c1ccccn1	95895860	JVSLUPVXAKPAAQ-NJYVYQBISA-N	393.487	2.309	0	1	GEAF	
COc1cc2c(cc1OC)[C@]13CCN4C[C@@H]5CCO[C@@H]6CC(=O)N2[C@H]1[C@@H]6[C@H]5C[C@H]43	253915802	BETNIDISFVHOSJ-WBKBYTDASA-N	396.487	2.190	0	3	GEAF	
CN(C)CCOc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCN(C)C3	618008582	HDSJSEFEGDTYFF-UHFFFAOYSA-N	384.505	2.376	0	1	GEAF	
COc1cc2c3c(c1)O[C@](c1ccc(OCCO)cc1)(C(C)(C)O)[C@@H](C2)C3=O	587443716	XFDUFUZVXIWBFL-JTSKRJEESA-N	384.428	2.480	0	1	GEAF	
Cc1[nH]c(C(=O)NC2CCN(C(=O)CCC(=O)O)CC2)c(Cl)c1Cl	1772596849	PDXQCNMMQTWDKP-UHFFFAOYSA-N	376.240	2.216	0	1	GEAF	
CCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(CCCC(=O)OC)CC1	13822773	GIHKCTJJULRQKV-UHFFFAOYSA-N	390.480	2.390	0	1	GEAF	
CC(C)(C)OC(=O)NC[C@]12C=C[C@H](O1)[C@@H]1C(=O)N(Cc3ccccc3)C(=O)[C@@H]12	169294974	JAHLICDNLQVRJG-CMBDLQSPSA-N	384.432	2.020	0	1	GEAF	
COC(=O)[C@H]1C[C@]23C4=C(CC[C@H]41)CC[C@H]1CN4C[C@H](C)[C@](O)(CC[C@]12CO)[C@@H]43	169670541	HGIXVDMBHFEREO-HZDAGXOOSA-N	387.520	2.120	0	1	GEAF	
O=C1C[C@@H](Cc2ccccc2)NC(=O)[C@@H]1C(=O)Nc1ccc(-n2ccnc2)cc1	169727287	ZAJZGCBEMFZEID-XLIONFOSSA-N	388.427	2.127	0	1	GEAF	
O=C1NC(=O)/C(=C/c2cnn3c(NC4CC4)cc(NCc4ccccc4)nc23)N1	205033116	ASGARLHYCKFIQQ-NVNXTCNLSA-N	389.419	2.096	0	1	GEAF	
CN(C)c1ncc2nc(CCc3ccccc3)c(=O)n(C[C@H]3CCCO3)c2n1	4238422	QPNSUFNLXRDZNK-MRXNPFEDSA-N	379.464	2.217	0	1	GEAF	
COc1cc2nc(N3CCN(c4nccc(C)n4)CC3)cc(N)c2cc1OC	25982927	LXVJVCNHJIUHQS-UHFFFAOYSA-N	380.452	2.259	0	1	GEAF	
CCOC(=O)C1=C(C)NC(=S)N(C(C)=O)[C@@H]1c1cccc(OC(C)=O)c1	101138335	OMQWSIPEJWZALV-MRXNPFEDSA-N	376.434	2.227	0	1	GEAF	
CCN(CC)C[C@@H]1CN2CC[C@H]1C[C@@H]2CNS(=O)(=O)c1ccc(C)cc1	2356540257	RKCOQACAOFZCOO-IPMKNSEASA-N	379.570	2.326	0	1	GEAF	
CSc1ccc2c(c1)C(=O)Nc1cccnc1N2C(=O)CN1CCN(C)CC1	22940122	MDBQHFCCCJACKU-UHFFFAOYSA-N	397.504	2.281	0	1	GEAF	
O=C(O)[C@@H]1N=C(c2c[nH]c3ccc(O)cc23)c2c(O)ccc3[nH]cc(c23)[C@H]1O	2356788614	CENUKZGRHMADRE-RTBURBONSA-N	377.356	2.398	0	1	GEAF	
Cc1nc(-c2ccco2)cc([C@@H]2CN3CC[C@H]2C[C@H]3CNC(=O)CCC(=O)O)n1	2356809435	AQSSFCKXYOXDJC-HRCADAONSA-N	398.463	2.204	0	1	GEAF	
CCc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)sc2Cl)cc1	72114982	YPQYOSUMCMYVPK-LHKMKVQPSA-N	398.908	2.070	0	1	GEAF	
CC(C)NC(=O)N[C@@H]1CCN2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@H]2C1	6563951	DIQZKRIYDHVMMM-QMTHXVAHSA-N	382.823	2.486	0	1	GEAF	biogenic
COc1ccc(CNc2cc(OC[C@H]3C[C@@H]3c3ccn(C)n3)nn(C)c2=O)cc1	218443949	IXIUJQDNIODVMR-WBVHZDCISA-N	395.463	2.317	0	1	GEAF	
COc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2OS(=O)(=O)O)cc1	14813795	KKQNMUQBVWQILU-UHFFFAOYSA-N	380.330	2.061	0	1	GEAF	biogenic
CCc1c(C(=O)c2ccccc2)n(COCc2ccccc2)c(=O)n(O)c1=O	71329957	OZJBFZBYZYCWDF-UHFFFAOYSA-N	380.400	2.215	0	1	GEAF	
COc1cc2nc(N3CC[C@H](NC(C)=O)C3)nc(NCC(C)C)c2cc1OC	82128445	QJRSKJPWICOUSZ-AWEZNQCLSA-N	387.484	2.430	0	1	GEAF	
CC(C)C[C@H](NC(=O)C1CC1)C(=O)N1CCC[C@H]1C(=O)NCc1ccccc1	198919890	WRAOSHBRBQERBC-OALUTQOASA-N	385.508	2.235	0	3	GEAF	
CC(C)[C@H]1Cn2c(c(NCc3cccc(C(=O)O)c3)c(=O)n(C(C)C)c2=O)N1	82206527	WPJYDQLCTHSUBL-OAHLLOKOSA-N	386.452	2.351	0	1	GEAF	
COc1nc(Nc2ccc(F)c([C@]3(C)CCSC(N)=N3)c2)nc(OC)n1	146076375	JNCHNPPRMGKURQ-INIZCTEOSA-N	378.433	2.438	0	1	GEAF	
CN1C[C@@H](CC2SCCCS2)O[P@]1(=O)Oc1cnc(O)nc1O	299804770	HKSOOROQSDOSGM-ZEDNOMKYSA-N	379.400	2.292	0	1	GEAF	
Cc1csc([C@@](O)(Cc2nc3[nH]c(=N)[nH]c(Cl)c-3n2)C(F)(F)F)n1	587094317	PJVCIWGASOWJOR-NSHDSACASA-N	378.767	2.128	0	1	GEAF	
C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2c(Br)ccnc2[nH]1	586958615	KGCBLEGXCYJERD-CQSZACIVSA-N	397.254	2.189	0	1	GEAF	
CN1CCN(C(=O)C2=C[C@@H](C3CC3)C[C@@H](OCc3ccc(CO)cc3)O2)CC1	13634843	VTWBQRNEZWDMGZ-CTNGQTDRSA-N	386.492	2.126	0	3	GEAF	
CC[C@@]1(C(=O)OC)N[C@@H](c2ccco2)[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21	169304305	DTNZJRSIQGJGHG-PZTGFMGMSA-N	382.416	2.360	0	1	GEAF	
CCOc1ccccc1[C@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)NCCO	4039714	RYXTUEFKMSCEBG-TZIWHRDSSA-N	397.475	2.352	0	1	GEAF	
CCOc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCO)cc1	4039767	XFBHBBSZHPRHAZ-CTNGQTDRSA-N	397.475	2.352	0	1	GEAF	
C[C@H](NC(=O)CC1CCCCC1)C(=O)N[C@H]1C(=O)N(C)N=Cc2ccccc21	28899656	NWBDPXHIXGJCBK-IFXJQAMLSA-N	384.480	2.125	0	1	GEAF	
COC(=O)C1=C[C@@H]2C3=C(NCCCCN)c4ccccc4N(C)C3=N[C@@H]2C=C1	103164710	JPHFRVUXYGIDJY-DLBZAZTESA-N	378.476	2.242	0	1	GEAF	
CCN1CCN(C(=O)CSc2cc(=O)n(C)c3cc(Cl)ccc23)CC1	20234304	LMLIEVDHZCSJBE-UHFFFAOYSA-N	379.913	2.448	0	1	GEAF	
Cc1ccccc1S(=O)(=O)NC(=O)[C@@]1(C)CCN1C(=O)C1CCCCC1	61908680	GCQBPCPMKGELTF-LJQANCHMSA-N	378.494	2.371	0	3	GEAF	
CN(C)CCN(C)C[C@@H]1CN2CC[C@H]1C[C@@H]2CNC(=S)Nc1ccccc1	2356839632	LWLOMBPCYHHFOD-NLWGTHIKSA-N	389.613	2.177	0	1	GEAF	
C[C@H](Cn1cc(Cl)cn1)n1cnc2cc3c(cc2c1=O)O[C@@H]1CCCN1C3=O	72127941	GAKVZVWHPFLZKE-PIGZYNQJSA-N	399.838	2.462	0	1	GEAF	
COc1cc2nc(N3CCN(C(C)=O)[C@@H]4CCCC[C@@H]43)nc(N)c2cc1OC	38835746	MTCUHQIMOONOQK-CVEARBPZSA-N	385.468	2.209	0	1	GEAF	
COc1cc(C[C@H]2CN(C(C)=O)[C@H](Cc3ccccc3)CN2)cc2c1OCO2	13379064	AZQJCMKZNJKNSU-RBUKOAKNSA-N	382.460	2.398	0	1	GEAF	biogenic
Cn1cc(-c2cc3c(-c4cc(N5CC[C@H](CO)C5)ncn4)n[nH]c3cc2F)cn1	225563314	AYWKZRJOXLXQLX-LBPRGKRZSA-N	393.426	2.378	0	1	GEAF	
CC[C@H]1[C@@H]2OC(=O)[C@H](C)C2=C2C[C@@H]([C@@H]3C[C@H](C)C(=O)O3)N3CCCCC(=O)[C@]213	238738726	AZQNIKXQKXTZDF-HFDYTSELSA-N	387.476	2.402	0	1	GEAF	
COCCN(C[C@@H]1N[C@@H](CO)[C@H]1c1ccc(-c2ccc(F)cc2)cc1)C(C)=O	95895636	IALDNOXXIDQRDH-FKBYEOEOSA-N	386.467	2.404	0	1	GEAF	
CCNc1nc(-c2cccnc2)c(-c2ccnc(NS(C)(=O)=O)n2)s1	299849395	GBMKENOBCLIBFM-UHFFFAOYSA-N	376.467	2.465	0	1	GEAF	
CC(C)(C)NC[C@H](O)COc1cc(Cl)c(NC2=NCCN2)c(Cl)c1	13446515	IIRVBYOIXYNPRC-JTQLQIEISA-N	375.300	2.492	0	1	GEAF	
Cc1c(N2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@@H]54)[C@H]3C2=O)c(=O)n(-c2ccccc2)n1C	169693286	QKMUGOSVGDEHFO-PVWHLQNVSA-N	375.428	2.042	0	1	GEAF	
O=S(=O)(c1ccccc1F)n1c(CN2CCOCC2)nc2ccccc21	203475444	AGDHGJATPGHCNM-UHFFFAOYSA-N	375.425	2.245	0	3	GEAF	
COC(=O)C1=C[C@@H]2C3=C(NCCN(C)C)c4ccccc4N(C)C3=N[C@H]2C=C1	103159091	GJYQWSSTCFYAOL-IRXDYDNUSA-N	378.476	2.065	0	1	GEAF	
COC(=O)[C@@]1(c2ccc(Cl)cc2)C[C@@H]1CN1CCN(c2ncccn2)CC1	28604350	JSJZBMMECIILOT-OXQOHEQNSA-N	386.883	2.383	0	1	GEAF	
CCc1c2c(nc3ccc(O)cc13)[C@H]1C=C3[C@H](COC(=O)[C@@]3(O)CC)C(=O)N1C2	26654116	QTQXEMLATWTPSP-QXATTWAWSA-N	394.427	2.140	0	1	GEAF	
NC(=O)[C@H](CO)NC(=O)c1cccc(-c2ccc(Oc3ccc(F)cc3)cc2)n1	113662965	DSEREGVTTKXCDA-IBGZPJMESA-N	395.390	2.256	0	1	GEAF	
CC(C)(CC(=O)Nc1c[nH]cc(C(=O)O)c1=N)NC(=O)C1(c2ccccc2)CC1	1911582398	FYIOAPSLNDQRFB-UHFFFAOYSA-N	396.447	2.148	0	1	GEAF	
CCS(=O)(=O)N(C)C[C@@H]1N[C@H](CO)[C@@H]1c1ccc(-c2ccccc2F)cc1	95871716	GOQWNQMMIAMSDL-XUVXKRRUSA-N	392.496	2.191	0	1	GEAF	
COc1cccc([C@@H]2C3=C(COC3=O)N(CCO)c3cc(OC)c(OC)cc32)c1	299829649	UYGMKVIOHGXPGL-FQEVSTJZSA-N	397.427	2.468	0	1	GEAF	
O=C(c1ccn(Cn2cc(Cl)cn2)n1)n1ncc2ccc(Cl)cc2c1=O	587651454	JPTXTFSEQMUBIL-UHFFFAOYSA-N	389.202	2.291	0	1	GEAF	
CC[C@@H](c1nc2cnnc(O)c2[nH]1)n1cc(I)c(C)n1	587184994	OLZRJWRVHXZSGN-VIFPVBQESA-N	384.181	2.167	0	1	GEAF	
O=C(O)[C@H]1Cc2c(ncn2Cc2ccccc2)CN1C(=O)COc1ccccc1	13446657	HODQIIYWLUQEAE-HXUWFJFHSA-N	391.427	2.348	0	1	GEAF	
O=C1NCC2=C1[C@H](c1ccc(F)c(Br)c1)C1=C(O)COCC1=N2	13580068	FWXTWPLUZOFWES-CYBMUJFWSA-N	379.185	2.353	0	1	GEAF	
O=C(Nc1ccc(Br)nc1)C(=O)N[C@H]1CCNC2(CCCCC2)C1	1857572379	YYHQLEBWEXXFGZ-LBPRGKRZSA-N	395.301	2.354	0	1	GEAF	
C[C@@H]1CN(Cc2ccc(-c3ccccc3)cc2)C(=O)C(C(=O)NCC(=O)O)=C1O	1857637298	VAOZDISNUYLWIK-CQSZACIVSA-N	394.427	2.345	0	1	GEAF	
CNC(=S)N(C[C@H]1CCCO1)[C@@H]1CC(C)(C)Oc2ccc(C(N)=O)cc21	758473	ONTBQYBGBGEQCC-UKRRQHHQSA-N	377.510	2.373	0	1	GEAF	
O=C(CN1CCN(Cc2ccc(F)cc2)C1=O)NCc1ccc2c(c1)OCO2	6728658	BVTBNPJKSLSCQC-UHFFFAOYSA-N	385.395	2.108	0	1	GEAF	
C[C@H](c1ccc(Br)cc1)N1C[C@@]23C=C[C@H](O2)[C@@H](C(=O)O)[C@@H]3C1=O	102001551	GOQWWHKSTWYHTI-CBQIBZOKSA-N	378.222	2.377	0	1	GEAF	
CSCC(=O)N[C@@H]1CCN2C(=O)c3cc(-c4ccco4)ccc3NC(=O)[C@@H]2C1	25189790	VCPJSLFVFWWPDW-CJNGLKHVSA-N	399.472	2.351	0	1	GEAF	biogenic
O=C(NC[C@@H]1COCc2nc3cc(C(F)(F)F)ccc3n21)c1cnccn1	2356468083	PVWXFNKSCCXNBG-LLVKDONJSA-N	377.326	2.346	0	1	GEAF	
C[C@@H](Cc1nsc(N2CCN(C)CC2)n1)NC1CC(C)(C)NC(C)(C)C1	82052252	FMCVFSJEYGGXIV-AWEZNQCLSA-N	380.606	2.120	0	1	GEAF	
Cc1noc(C)c1NS(=O)(=O)c1ccc(CCCN2CCN(C)CC2)cc1	199947578	ARTFWGDUWSQPBC-UHFFFAOYSA-N	392.525	2.272	0	1	GEAF	
CNC[C@H]1Oc2ncc(-c3ccc(C)cc3)cc2C(=O)N([C@@H](C)CO)C[C@H]1C	95709568	JKHLNYMUPUVSIB-GQIGUUNPSA-N	383.492	2.497	0	1	GEAF	
O=C(NCc1nnc2n1[C@@H](C(=O)NC1CC1)CC2)c1ccc(Cl)cc1Cl	299852852	YGJHDBIJYZAQKB-CYBMUJFWSA-N	394.262	2.281	0	1	GEAF	
COC(=O)c1cccc2nc(C[C@H](NC(=O)OCc3ccccc3)C(=O)O)[nH]c12	587204259	WXOJYRLMHOHONJ-HNNXBMFYSA-N	397.387	2.272	0	1	GEAF	
CCCOc1cc2nc([C@@H](N)CP(=O)(O)O)[nH]c2cc1Br	586921292	CIJWSXVDIOMJNH-QMMMGPOBSA-N	378.163	2.292	0	1	GEAF	
C[C@H](NC(=O)c1[nH]cnc1C(=O)N1CCc2ccccc2C1)C(=O)OC(C)(C)C	15952262	HUXZTBKVRDMXAM-ZDUSSCGKSA-N	398.463	2.068	0	3	GEAF	
COc1cc(C(=O)OCc2ccc3nc(N)nc(N)c3c2)cc(OC)c1OC	591054	BAGKYHYPCLBURO-UHFFFAOYSA-N	384.392	2.177	0	1	GEAF	
CS(=O)(=O)c1ccc2nc(NC(=O)[C@@H]3[C@@H](C(=O)O)[C@@H]4C=C[C@H]3C4)sc2c1	12469834	VCXQHHJYPXWYIK-WAYYCVMKSA-N	392.458	2.161	0	1	GEAF	
COc1ccc(C(=O)[C@@H](CC(=O)N2CCC[C@@H]2C(=O)O)SC(C)=O)cc1F	27316731	KSBWXWURYXGMSM-UKRRQHHQSA-N	397.424	2.131	0	1	GEAF	
CC(=O)N1CC[C@@H]2c3c(nc(-c4ccc5c(c4)OCCO5)[nH]c3=O)S[C@@H]2C1	28524427	KMFHEPNXBGOZDT-SWLSCSKDSA-N	385.445	2.018	0	1	GEAF	
CN(C)C(=O)[C@H]1Cc2ccccc2N1C(=O)CCN1CCc2ccccc2C1	84726385	FPLAAEYIEZOPQC-OAQYLSRUSA-N	377.488	2.481	0	1	GEAF	
COc1cccc(N2CCC[C@@H](Oc3nc(-c4ccncn4)cc(=O)n3C)C2)c1	198320048	TXXZHNFXGYVEJJ-QGZVFWFLSA-N	393.447	2.294	0	1	GEAF	
CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3nccc(Br)c3[nH]2)c1	586940276	YSEOBRVTCHHBOH-UHFFFAOYSA-N	384.259	2.402	0	1	GEAF	
O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@](c2ccccn2)([C@H]2CCNC2)N1	962968539	OROYORBNBYTDJM-RBXYMLTMSA-N	393.821	2.465	0	1	GEAF	
O=S(=O)(c1ccc2c(c1)OCO2)N1CCC(O)(Cc2ccccc2)CC1	1259843461	BRANWLLLMIBXLO-UHFFFAOYSA-N	375.446	2.174	0	1	GEAF	
Nc1nn(CC(=O)O)c2nnc(-c3c(-c4ccccc4)nn4ccccc34)cc12	1772652376	MBVLFCFTWWSEEI-UHFFFAOYSA-N	385.387	2.475	0	1	GEAF	
CN=c1[nH]cc(C(=O)OCc2cccc(OC)c2)c2nc(-c3ccco3)nn12	1857766217	VSVZDSXZJIFPKH-UHFFFAOYSA-N	379.376	2.214	0	1	GEAF	
NC(=O)CC[C@@H]1C(=O)C[C@@H](Nc2ccccc2)c2nc3ccccc3c(=O)n21	2356788178	WLUVMRPCQHOBCZ-IAGOWNOFSA-N	376.416	2.329	0	1	GEAF	
COc1ccc(NC(=O)O[C@@H]2CO[C@H]3[C@@H]2OC[C@H]3NC(=O)c2ccccc2)cc1	2356835444	KRXJMBITQJYWNP-NCXUSEDFSA-N	398.415	2.209	0	1	GEAF	
CCCCN1C(=O)[C@H](CC(=O)NCc2ccco2)CC(C(=O)N(C)C)=C1C	61923411	CEWAEWFBZPJEGR-HNNXBMFYSA-N	375.469	2.297	0	3	GEAF	
C[C@@H]1CN(c2c(F)cc3c(=O)c(C(=O)O)cn4c3c2OC[C@H]4C)C[C@@H](C)O1	29127045	BAYPIFHTRJZWTI-GMTAPVOTSA-N	376.384	2.406	0	1	GEAF	
COc1cc([C@@H](OC)[C@H](CO)Oc2ccc(CCCO)cc2OC)ccc1O	2356398666	YTOZANXGUBLEJM-LEWJYISDSA-N	392.448	2.462	0	1	GEAF	
CS(=O)(=O)Nc1cccc(-c2nc(N3CCNCC3)c3ccccc3n2)c1	64526506	WNXXIBLPAIHRKA-UHFFFAOYSA-N	383.477	2.078	0	1	GEAF	
COc1cc([C@H]2C3=C(COC3=O)Nc3ccc4n[nH]nc4c32)cc(OC)c1OC	71318028	ONKWMOKPWJBFAP-OAHLLOKOSA-N	394.387	2.352	0	1	GEAF	
COC(=O)c1ccccc1OCC(=O)N1CCN(c2ccccc2OC)CC1	7096725	PZDAWXXRAWOQQR-UHFFFAOYSA-N	384.432	2.209	0	1	GEAF	biogenic
Cn1c(=O)[nH]c2ncc(-c3cccc(C(=O)NCCCc4c[nH]cn4)c3)cc21	73310727	SRGDGRKIUDZCCA-UHFFFAOYSA-N	376.420	2.014	0	1	GEAF	
C[C@H]1CNc2c(NCc3ccc(O)cc3)c(=O)n(Cc3ccsc3)c(=O)n21	82210990	QDSGTKNDLRRQRO-LBPRGKRZSA-N	384.461	2.424	0	1	GEAF	
CCCn1c(=O)c(NCc2ccc(NC(C)=O)cc2)c2n(c1=O)C[C@@H](C(C)C)N2	82206178	FNJPQKBCXYKBQF-KRWDZBQOSA-N	399.495	2.441	0	1	GEAF	
COC1=Cc2c(nc3n(c2=O)-c2ccc(OC)cc2C(=O)N2CCC[C@H]32)OC=C1	28540792	YWIHZIZWXOCIAO-QGZVFWFLSA-N	393.399	2.425	0	1	GEAF	biogenic
O=C(NC[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)C1CCOCC1	587567984	AXKWOICYYKFQEO-ROUUACIJSA-N	383.400	2.265	0	1	GEAF	
Nc1c([C@@H]2NCCc3ccc(O)cc32)c(O)nc(=O)n1-c1ccc(Cl)cc1	963353061	PJNNUKKYPUDZNT-MRXNPFEDSA-N	384.823	2.114	0	1	GEAF	
Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1NC(=O)CN1CCNCC1	1772580598	QYNYPYGXHSJLHB-YBEGLDIGSA-N	397.454	2.107	0	1	GEAF	
COCCN1C(=O)c2cc(-c3nc(Nc4ccnn4C)ncc3C)[nH]c2C[C@H]1C	1772579848	PNXHDOWDWLRBSB-CYBMUJFWSA-N	395.467	2.290	0	1	GEAF	
Cc1ccc(C(=O)COC(=O)[C@H](C)N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1C	13845387	KLTXDFMSUAOPBW-GJSASXELSA-N	381.428	2.225	0	1	GEAF	
O=C(Nc1cc(C2CCNCC2)nn1-c1nccs1)c1cnn2cccnc12	204772602	XRTSXIZQOJRTNV-UHFFFAOYSA-N	394.464	2.091	0	1	GEAF	
CCn1ncc2c1CC[C@H](N=c1nc3c(-c4ccc(OC)nc4)cccn3[nH]1)C2	1857752061	IIJCPDFRXNMOQQ-INIZCTEOSA-N	389.463	2.408	0	1	GEAF	
C[C@@H]1[C@@H](O)Oc2c(O)cc(O)c3c2[C@@H]1Cc1c-3oc2cc(O)cc(O)c2c1=O	13373216	JWEDLHAANQXQMP-FUUDOBROSA-N	384.340	2.269	0	1	GEAF	biogenic
CCCCn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(F)c4)c3)nc2n(C)c1=O	29055850	BVZHNRXZWXPJEX-UHFFFAOYSA-N	396.426	2.274	0	1	GEAF	
O=C1Cc2cc(NC(=O)C(=O)N3CCN(c4ccc(Cl)cc4)CC3)ccc2N1	59242632	KWGVEBNVVWUMQT-UHFFFAOYSA-N	398.850	2.122	0	1	GEAF	
CC(C)CN(C)C(=O)c1cnc(N2CCC[C@H](C(N)=O)C2)nc1-c1ccco1	82141929	NRFZYICPLCQFLP-AWEZNQCLSA-N	385.468	2.166	0	1	GEAF	
CC(C)(O)c1ccc(-c2cnc3c(n2)N(CCC2CCOCC2)CC(=O)N3)cn1	113196255	UVDSVTKKZYTBOB-UHFFFAOYSA-N	397.479	2.341	0	1	GEAF	
O=C1c2ccc(Cn3cc(CO)c(C(F)(F)F)n3)cc2OC[C@@H]2CCCN12	473122492	SJFKMVDAKHFHSO-ZDUSSCGKSA-N	381.354	2.440	0	1	GEAF	
Nc1nccc2nc(CCN3C(=O)COc4cc(Br)ccc43)[nH]c12	587003662	VYYOOCYJOXOXFI-UHFFFAOYSA-N	388.225	2.271	0	1	GEAF	
CCOC(=O)[C@]1(CC(N)=O)CCCC[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3	587433931	XMVJXCSEFPFKSU-IFZYUDKTSA-N	387.432	2.180	0	1	GEAF	
COc1ccc([C@H]2[C@@H](CO)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1O	1857653259	JJGIUCCUMYQUIO-ACJLOTCBSA-N	389.404	2.123	0	1	GEAF	
CCC[C@@H]1O[C@@H](CC(=O)O)C=C2[C@@]3(O)CC(=O)C[C@]21C(=O)c1c(O)cccc13	2356712769	NUSPYTZPFANSTB-YEJXZGJWSA-N	386.400	2.094	0	1	GEAF	
Cc1cc(CNC(=O)[C@]2(C(F)(F)F)C/C(=C\CCO)CCCO2)nn1C	13829193	OGURYQXPCPBZCJ-VGEAAAHDSA-N	375.391	2.155	0	3	GEAF	
CCCCC(=O)N(C)c1c(C)nc2ccc(C(=O)N3CCN(C(C)=O)CC3)cn12	61929731	NXOXBMCBAQZOBF-UHFFFAOYSA-N	399.495	2.100	0	3	GEAF	
CN1CCN(c2nc(-c3cccc(NS(C)(=O)=O)c3)nc3ccccc23)CC1	4257452	QQGISTDLURCIFU-UHFFFAOYSA-N	397.504	2.420	0	1	GEAF	
COc1ccc(CNc2nc(N[C@@](C)(O)CO)nc3c2ncn3C(C)C)cc1	26647851	LASSXLIBWVEMIH-IBGZPJMESA-N	386.456	2.141	0	1	GEAF	
Nc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCS(=O)(=O)CC2)n1	26717017	ACYSKLVNHYXHFU-UHFFFAOYSA-N	387.440	2.478	0	1	GEAF	
CC[C@H]1CC[C@@]2(C)CN(CC)[C@@H]3[C@@H]4[C@@H](O)[C@H]2[C@@]13[C@@H]1C[C@@H]2CC[C@@]4(O)[C@H]1C(=O)O2	103016903	ALJPNEUKWIMJBY-JGOMLLRHSA-N	389.536	2.197	0	1	GEAF	
Nc1cccc(N2C(=O)c3ccccc3[C@]2(O)c2ccc3c(c2)NC(=O)CO3)c1	116256019	RWJGXHSKKVZYLI-JOCHJYFZSA-N	387.395	2.454	0	1	GEAF	
CCCOC(=O)N[C@@H](CC(C)C)C(=O)N1C[C@@H]2ON=C(Br)[C@@H]2C1	473161133	ZYVXXCMWSKMEGK-WOPDTQHZSA-N	390.278	2.103	0	1	GEAF	
N=C1N[C@H]2c3c([nH]c(Br)c3Br)C(=O)[C@@H]3CCC[C@]23N1	1772612156	QCTMVVYAIZQRDR-SSHLHXKOSA-N	388.063	2.444	0	1	GEAF	
COc1ccc(CCN2C=N[C@@H]3C(=O)NC(Cc4ccccc4)=N[C@H]32)cc1OC	1857562716	GULAXBNPPVABLG-SFTDATJTSA-N	392.459	2.056	0	1	GEAF	
CN(C[C@H]1CCCO1)S(=O)(=O)c1ccc(C(=O)NCc2ccccc2)cc1	4325621	KYMMFQQCDXUDEV-GOSISDBHSA-N	388.489	2.416	0	3	GEAF	
CC(C)(C)NC(=O)C1CCC(CNc2c(N3CCCCC3)c(=O)c2=O)CC1	4956346	WLIPEDMFYFBYNK-UHFFFAOYSA-N	375.513	2.406	0	3	GEAF	
COCCNC(=O)[C@@H]1C[C@H]2Cn3c(nc4cc(Cl)c(Cl)cc43)[C@H]2N1C	263591839	JYYMTFLJOYYNFB-LNHVQRHZSA-N	383.279	2.481	0	3	GEAF	
O=C(Nc1ccccc1)O[C@@H]1CO[C@@H]2[C@@H]1OC[C@H]2n1cc(-c2ccccn2)nn1	2356321299	FFFKGYKECKGKKA-AKHDSKFASA-N	393.403	2.296	0	1	GEAF	
CCOC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OCC)[C@H]1c1c[nH]c2ccccc12	4729137	HQBFXHCSFCYATJ-OOSNJVJTSA-N	387.432	2.334	0	1	GEAF	
CCCN1CC2(CCN(C[C@H](O)COc3ccccc3OC)CC2)OC1=O	28761423	RXCXNWQOVSPFHZ-INIZCTEOSA-N	378.469	2.132	0	1	GEAF	
Cc1ccnc(NC(=O)C2CCC(C/N=c3\c(N4CCCC4)c(O)c3=O)CC2)c1	102387122	BGIIKRSHTNKLKL-HKOYGPOVSA-N	396.491	2.277	0	1	GEAF	
COC(=O)C1=C[C@H]2C3=C(NCCCN(C)C)c4ccccc4N(C)C3=N[C@@H]2C=C1	103159105	NUJSRCRWUJUDHI-QZTJIDSGSA-N	392.503	2.455	0	1	GEAF	
CC(=O)Nc1ccc(CC[C@H](C)NC[C@H](O)c2ccc(O)c(C(N)=O)c2)cc1	27740675	OSEWZPSLFHONKO-RBZFPXEDSA-N	385.464	2.094	0	1	GEAF	
COC(=O)[C@@]12C[C@H]3CN(CCc4c1[nH]c1ccc(OC)cc41)[C@H]2C[C@H]3[C@H](C)O	2356491871	RGMOJRSLENXIRX-MSMQAHQVSA-N	384.476	2.235	0	1	GEAF	
CN[C@H](C)C(=O)N[C@H](C(=O)N[C@H](C)C(=O)Nc1cccc2ccccc12)C(C)C	61925526	JSZPIOJRNMIRQD-CLCXKQKWSA-N	398.507	2.032	0	3	GEAF	
COc1cc(OC)c2c(C)c(CC(=O)N[C@H](CC(C)C)C(=O)O)c(=O)oc2c1	15955610	WXVNYNFKVUXYOT-CQSZACIVSA-N	391.420	2.277	0	1	GEAF	biogenic
COc1cc(N2CC(NC(=O)c3cnc4nc(C)c(C)n4c3)C2)c(Cl)cn1	1911581386	VUZDAUZJPVPIEF-UHFFFAOYSA-N	386.843	2.022	0	1	GEAF	
CC1(C)CN(c2cnc3cccc(-c4cc5c([nH]4)CCNC5=O)c3n2)CCN1	222390637	SKDNYSOXNQDPRX-UHFFFAOYSA-N	376.464	2.099	0	1	GEAF	
CC(=O)Nc1c2n(c(=O)n(Cc3ccsc3)c1=O)C[C@H](Cc1ccccc1)N2	82205429	PPWQYTDVOQBAIF-INIZCTEOSA-N	396.472	2.115	0	1	GEAF	
CN[C@@H](C)C(=O)N[C@H]1COc2ccccc2N(Cc2ccccc2Cl)C1=O	143865628	GIKBDINPWKIYJA-BBRMVZONSA-N	387.867	2.358	0	1	GEAF	
O=C1N=C2SC([N+](=O)[O-])=CN2C2=NC(=S)N[C@H](c3ccc(Cl)cc3)[C@H]12	95584544	ZLUPYWJLHQGGOL-VHSXEESVSA-N	393.837	2.305	0	1	GEAF	
C[C@]12CC[C@H](O)C=C1CC[C@@H]1[C@@H]2[C@H](O)C[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O	255253597	OIPRFQNNGWFTIU-VHVSHIRUSA-N	388.504	2.495	0	1	GEAF	
CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3cnc(Br)cc3[nH]2)c1	586939694	RJXDANFCIKHJDP-UHFFFAOYSA-N	384.259	2.402	0	1	GEAF	
C[C@@H](NC(=O)Nc1cc2[nH]nc(OCC(=O)N(C)C)c2cn1)c1ccccc1	1772606668	YBUZXAHOZJNBOS-GFCCVEGCSA-N	382.424	2.308	0	1	GEAF	
CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](Nc2nccc(C)c2N)[C@H]1NC(C)=O	1857582577	KOAKAGLTHQXEEW-LZLYRXPVSA-N	390.484	2.246	0	1	GEAF	
CC(C)CCNC(=O)C1CCC(C/N=c2/c(N3CCCC3)c(O)c2=O)CC1	101899334	FCGKKTIKNJZWSL-QJOMJCCJSA-N	375.513	2.098	0	1	GEAF	
CC(=O)Nc1ccc(CNc2ncc3c(n2)-c2c(c(C(N)=O)cn2C)CC3)cc1	64526326	NOQYGKAHNPQBEW-UHFFFAOYSA-N	390.447	2.250	0	1	GEAF	
C[C@H]1C[C@@H](C)N(C[C@@H](O)CNS(=O)(=O)c2cccc(Cl)c2Cl)C1	28892140	OLWHNGIYJGTQGH-TUAOUCFPSA-N	381.325	2.363	0	1	GEAF	
Nc1ccccc1NC(=O)CCCCCNC(=O)c1cccc(-c2nnn[nH]2)c1	117588436	YMFPIRJIVHKKSW-UHFFFAOYSA-N	393.451	2.378	0	1	GEAF	
NC(=O)c1ccc2c(c1)S(=O)(=O)N=[S@]2c1ccc(Br)cc1	73195955	NQTIZOAZSXDKCX-HXUWFJFHSA-N	385.264	2.470	0	1	GEAF	
O=C(c1ccccn1)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2C(=O)CC1CC1	95794478	RFUYWTCVOSCMIJ-TZIWHRDSSA-N	391.471	2.063	0	1	GEAF	
O=S(=O)(CCN1CC[C@H](Cc2ccccc2)[C@@H](O)C1)c1ccc(O)cc1	96941612	UDLDPIPQVZOCPK-XLIONFOSSA-N	375.490	2.091	0	1	GEAF	
COc1ccc(F)c(CN2CN(CC(=O)O)c3ccc(C)cc3S2(=O)=O)c1	653841631	DLSYAEMNDAGGJJ-UHFFFAOYSA-N	394.424	2.196	0	1	GEAF	
CN(C)C(=O)c1ccc(N(Cc2ccn(C)n2)C(=O)c2ccc(O)cc2O)cc1	653684781	XWRKXLAABPAXIJ-UHFFFAOYSA-N	394.431	2.380	0	1	GEAF	
CNC(=O)[C@@H]1C[C@H]1c1nc2c(I)cnc(Cl)c2[nH]1	587236763	ZFPCLBJJKCZGPR-RFZPGFLSSA-N	376.585	2.065	0	1	GEAF	
CNC[C@@]1(c2ccc(O)cc2)N[C@H](C(=O)O)Cc2cc(OC(F)(F)F)ccc21	962624191	BGMNFSSFMSSVAX-WMZOPIPTSA-N	396.365	2.353	0	1	GEAF	
CC(=O)O[C@H]1CCC[C@@H]1n1c(=O)cc(O)n(CCc2cccc(Cl)c2)c1=O	169729801	ABJVIYICZHGBBB-HOTGVXAUSA-N	392.839	2.268	0	1	GEAF	
O=C(O)c1cn(C2CC2)c2c(OC(F)F)c(N3CCNCC3)c(F)cc2c1=O	1915354	RBAUZVSUQJFECV-UHFFFAOYSA-N	397.353	2.185	0	1	GEAF	
Cn1c(CC(=O)Nc2cccc3sccc23)nc(N2CCOCC2)cc1=O	115073087	AKWZSFUJVGKPTB-UHFFFAOYSA-N	384.461	2.013	0	1	GEAF	
CO[C@]12C=C[C@@]3(C[C@@H]1N)[C@@H]1Cc4ccc(O)c5c4[C@]3(CCN1CC1CC1)[C@H]2O5	26252058	SFHODFBNMSLERZ-RRJVNCKPSA-N	380.488	2.104	0	1	GEAF	
COc1ccc(C(=O)N2CCC3(CC2)N=C(c2ccccc2)C(=O)N3)c(OC)c1	20556381	NYJSJKZRRRFJTG-UHFFFAOYSA-N	393.443	2.255	0	1	GEAF	
N=C(N)c1ccc(N2CCC3(CCC(C(=O)NCCC(=O)O)CC3)CC2)cc1	28755609	MGJLLYMSYBFFFT-UHFFFAOYSA-N	386.496	2.338	0	1	GEAF	
O=C([C@@H]1CC2(CCNCC2)CN1)N1CCN(c2cccc(Cl)c2Cl)CC1	72122423	GCWTZYUDJWLEPG-HNNXBMFYSA-N	397.350	2.374	0	1	GEAF	
O=C(c1ncccc1-n1nccn1)N1[C@H]2CC[C@H]1[C@H](COc1ccccn1)C2	226064231	UDZQGFXBOQDJAU-JYJNAYRXSA-N	376.420	2.129	0	1	GEAF	
O=C(NC[C@@H]1CCCO1)C1=CNN2C1=N[C@H](c1ccccc1)C[C@H]2C(F)(F)F	135722909	ATPTZKBZAUXFEA-BPUTZDHNSA-N	394.397	2.460	0	3	GEAF	
C[C@@H](C(=O)N1CCN(c2cccc(Cl)c2)CC1)N1C(=O)CC(C)(C)C1=O	653782727	HURNTMVFWQRKKH-ZDUSSCGKSA-N	377.872	2.162	0	1	GEAF	
C[C@@]1(COc2ccc(OC(F)(F)F)cc2)Cn2cc(S(C)(=O)=O)nc2O1	653725575	OFLCDBBPNUHRQC-AWEZNQCLSA-N	392.355	2.415	0	1	GEAF	
C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc(Br)ncc2[nH]1	586958356	IVYIZCXFSSJFNU-CQSZACIVSA-N	397.254	2.189	0	1	GEAF	
CCOc1cc(-c2cccc(F)c2)nn1C(=S)NCCN1CCOCC1	587872602	PEHBTHVEJCMQAQ-UHFFFAOYSA-N	378.473	2.143	0	1	GEAF	
Cc1nc(=O)c2c(C)nc(-c3c(CO)nn(C)c3-c3ccc(Cl)cc3)n2[nH]1	1772597476	NZIOLDXYBCNABG-UHFFFAOYSA-N	384.827	2.248	0	1	GEAF	
CCCOC(=O)CCCC[C@H]1SC[C@H](NC(=O)OC)[C@@H]1NC(=O)OC	13116578	JVMZMNYGHPNKFU-SCRDCRAPSA-N	376.475	2.065	0	1	GEAF	
COc1ccc2c(c1N)C(=O)O[C@@H]2[C@H]1c2c(cc3c(c2OC)OCO3)CCN1C	13675153	WPUKOXIOPURGHT-MSOLQXFVSA-N	398.415	2.455	0	1	GEAF	
COCCNC(=O)C[C@@H]1C[C@H](C(C)C)[C@H](CNC(=O)c2cnccn2)C=C1C	2356316313	VLNVROQVJSHJAD-OKZBNKHCSA-N	388.512	2.214	0	1	GEAF	
COC(=O)[C@@]12C[C@H]3C[C@@H]([C@@H](C)O)[C@H]1N(CCc1c2[nH]c2cc(OC)ccc12)C3	100163025	XGWIRMWTCWJZPG-JOQRDCGQSA-N	384.476	2.235	0	1	GEAF	
CCN1CCN(C(=O)C[S@](=O)Cc2nc(-c3ccccc3)oc2C)CC1	20241767	NKKIRUUPAMCNSI-SANMLTNESA-N	375.494	2.063	0	1	GEAF	
CC(=O)S[C@@H](CC(=O)N1CCC[C@@H]1C(=O)O)C(=O)c1ccc2c(c1)CCC2	27314503	WHCYDTKPNWWNJB-SJORKVTESA-N	389.473	2.472	0	1	GEAF	
CCc1nc(C(=O)N[C@@H](CSCc2ccccc2)C(=O)OCCN)cs1	82071602	LFLYOKMSXFSPIW-HNNXBMFYSA-N	393.534	2.239	0	1	GEAF	
CCCCNS(=O)(=O)c1cccc(-c2ccc3nc(NC(C)=O)nn3c2)c1	84732863	JZPGQHIVOBRQCX-UHFFFAOYSA-N	387.465	2.433	0	1	GEAF	
O=S(=O)(NC[C@H]1[C@@H](c2ccccc2)[C@@H](CO)N1CC1CC1)c1ccccc1	95895680	DZQWNXDWAYARHT-PWRODBHTSA-N	386.517	2.204	0	1	GEAF	
COC(=O)[C@@H]1[C@@H](O)CC[C@@H]2CN3CC[C@H]4c5c(cccc5OC)N[C@H]4[C@H]3C[C@@H]21	95913572	WHOUHQRGRVIKFB-OHLIODBNSA-N	386.492	2.227	0	1	GEAF	biogenic,in-vitro
O=C(Nc1ccc(F)cc1)N[C@H]1C=C[C@H](CC(=O)N2CCCCC2)O[C@H]1CO	95906048	GRROAJFSYBFQKD-SQNIBIBYSA-N	391.443	2.034	0	1	GEAF	
CCC(=O)N1[C@H](CO)[C@H](c2ccc(-c3ccncc3)cc2)[C@@H]1CN(C)C(C)=O	95871938	YDJAYSVVUMJXBY-TUNNFDKTSA-N	381.476	2.292	0	1	GEAF	
COC(=O)C[C@H](c1ccc(OC)c(OC)c1)N1C(=O)c2ccc(N)cc2C1=O	5854382	RPOHNDGOZDRWKA-OAHLLOKOSA-N	384.388	2.186	0	1	GEAF	
CC(C)OC(=O)[C@@H]1C(=O)C[C@@](C)(O)[C@@H](C(=O)OC(C)C)[C@@H]1c1cccnc1	169307668	OYCVZZUSJGVKGK-WOCWXWTJSA-N	377.437	2.025	0	1	GEAF	
COCCCN1C(=O)C(=O)[C@H](C(=O)c2ccccc2)[C@H]1c1ccc2c(c1)OCO2	169687221	JGZAMESHNCVTQP-RBUKOAKNSA-N	395.411	2.403	0	1	GEAF	
CCn1c(=O)c2c(nc(/C=C/c3ccc(OC)c(C)c3OC)n2C)n(CC)c1=O	3803926	JZBGORFEKBLOPF-ZRDIBKRKSA-N	398.463	2.433	0	1	GEAF	
Cc1ccc(N2CCN(C[C@H](O)CN3CCc4ccccc4C3)C(=O)C2)cc1	209700466	YFCBHXHGYRQPBM-JOCHJYFZSA-N	379.504	2.063	0	1	GEAF	
Nc1nc(Cl)c(N)c(NC[C@]2(CO)CC[C@@H](OCc3ccccc3)C2)n1	1645761	XOWUNSSKRQVANA-ACJLOTCBSA-N	377.876	2.454	0	1	GEAF	
O=C(NC1CCCCCCC1)C1CCN(c2c(N3CCCC3)c(=O)c2=O)CC1	6816874	CQCYCGNUYLHNQC-UHFFFAOYSA-N	387.524	2.328	0	1	GEAF	
CCCNC(=O)c1cc([C@H]2CCCN(S(=O)(=O)c3cccs3)C2)on1	61904257	MVMCXNCOFUXIKX-LBPRGKRZSA-N	383.495	2.444	0	3	GEAF	
Cc1nc2cc3c4c(cccc4c2s1)C(=O)N(CCN1CCNCC1)C3=O	28467534	PGYWXOJGTLNBQW-UHFFFAOYSA-N	380.473	2.259	0	1	GEAF	
COCCNC(=O)[C@]1(C)CCN(C(=O)c2cccnc2Oc2ccccc2)C1	61907315	ONEXJTIJKQTPOC-OAQYLSRUSA-N	383.448	2.489	0	3	GEAF	
CC(C)c1cn(CC[C@@H]2CC[C@@H](NC(=O)c3cccc(F)c3)[C@@H](CO)O2)nn1	95675299	QKYXERGZTDIPLJ-YQVWRLOYSA-N	390.459	2.269	0	1	GEAF	
C[C@H]1Cc2cc(Br)c(F)cc2C2(CCN(S(C)(=O)=O)CC2)N1	587842613	UYXOSZCSSQDEFU-JTQLQIEISA-N	391.306	2.373	0	1	GEAF	
Cc1cc2[nH]c(-c3nc(O)nc(O)c3I)nc2c(C)n1	587181836	FKUAMZSCQJFGNF-UHFFFAOYSA-N	383.149	2.048	0	1	GEAF	
COc1nccc2nc(Cn3c(=O)cc(C(F)(F)F)c4c(C)nn(C)c43)[nH]c12	587127807	FWKZQQXFZGIOHS-UHFFFAOYSA-N	392.341	2.390	0	1	GEAF	
COc1cc2c3c(c1)O[C@@]1(C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C1)[C@@H](C2)C3=O	587436616	SECVSEXNTZABHR-KQHSUYLTSA-N	389.404	2.275	0	1	GEAF	
COc1ccc(NS(=O)(=O)c2cc(OCC(N)=O)c(C)cc2Cl)cc1	645307	WGASFKOVFXTKIW-UHFFFAOYSA-N	384.841	2.322	0	3	GEAF	
O=C(O[C@]12[C@H]3[C@H]4[C@@H]5C[C@@H]6[C@H]4[C@@H]3[C@@]3(OCCCN31)[C@H]6[C@H]52)c1n[nH]c2ccccc12	169293146	NKBYXRWOKPTCIZ-NYRUIDONSA-N	375.428	2.236	0	1	GEAF	
C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc3c(c2)CCN3C(=O)CCC(=O)O)C1	6736729	KEPJDIUPBMYQFQ-KBPBESRZSA-N	394.493	2.107	0	3	GEAF	
COc1ccc(OC)c2[nH]c(=O)c(CCN3C(=O)c4ccccc4C3=O)cc12	4032819	MQIDZHZREPXROH-UHFFFAOYSA-N	378.384	2.384	0	1	GEAF	
CC[C@H]1CCCCN1C(=O)CCS(=O)(=O)c1cc2c(cc1C)NC(=O)CO2	6893215	GCQJHMICWQDFKS-AWEZNQCLSA-N	394.493	2.281	0	1	GEAF	
O=c1c2cc(F)c(N3CCCC3)cc2n(-c2ccc(F)cc2F)c(=O)n1O	28378714	CCQBEMUOQRLOSO-UHFFFAOYSA-N	377.322	2.407	0	1	GEAF	
CC(C)(C)c1ccc(S(=O)(=O)c2ccc(-n3ncc(=O)[nH]c3=O)cc2)cc1	28762651	VEAMUEOAQKGOGK-UHFFFAOYSA-N	385.445	2.051	0	1	GEAF	
CC(=O)N(C)C[C@H]1[C@H](c2ccc(-c3cccnc3)cc2)[C@@H](CO)N1C(=O)C1CC1	95895718	FDVJJZIWDWLSSN-BDTNDASRSA-N	393.487	2.292	0	1	GEAF	
C[C@H](C(=O)NC1[C@@H]2CC3C[C@@H]1CC(O)(C3)C2)N1CC(Oc2ccccc2F)C1	137944415	XNSQYEZFDGACIR-CQQALNEUSA-N	388.483	2.333	0	1	GEAF	
O=C1/C(=C/c2ccccc2)Oc2ccccc2N1CCCN1CCN(CO)CC1	169324476	DREJNBQXBKUCBE-XLNRJJMWSA-N	393.487	2.411	0	1	GEAF	
CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2ccc(S(N)(=O)=O)cc2[nH]1	587038743	BLFQOIYRRKZMEY-LBPRGKRZSA-N	384.483	2.193	0	1	GEAF	
Oc1ncnc2[nH]c(CCn3cc(Br)c(C(F)(F)F)n3)nc12	587117757	GDCLDUXYKCOOMW-UHFFFAOYSA-N	377.124	2.279	0	1	GEAF	
C[C@H]1Cc2cc(Br)c(F)cc2C2(CCC3(CC2)NC(=O)NC3=O)N1	587790570	DJONLWNACQQRKI-VGXVPSNOSA-N	396.260	2.470	0	1	GEAF	
COc1cc2c(cc1OC)[C@H](c1ccc(S(C)(=O)=O)nc1)N(C)[C@H](C)C2	962621147	IOMHRHKBBZPJOP-BLVKFPJESA-N	376.478	2.468	0	1	GEAF	
COc1cc(OC)c(/C=C/S(=O)(=O)Cc2cnc(OC)cn2)c(OC)c1	1772590313	COVZOHHIXXSLRX-AATRIKPKSA-N	380.422	2.097	0	1	GEAF	
COC(=O)c1c2ccoc3c-2c2c1[C@@]1(O)C[C@H]4N(C[C@H](C)C1=O)C[C@@H](CC3)[C@]24C	2356407372	BXJHWSRWRXDUSI-ZUWCIQBUSA-N	395.455	2.485	0	1	GEAF	
Cc1ccccc1C1=NO[C@@H]2CN(S(=O)(=O)c3c(C)nn(C)c3Cl)C[C@@H]12	205230621	WCSSHBZAYPZSRR-ZIAGYGMSSA-N	394.884	2.114	0	3	GEAF	
C[C@]1(CO)CN(Cc2ccccc2)C[C@@H]2CN(C(=O)c3ccccc3)CCN21	2356343700	SGEJPTCNJXWDME-FYYLOGMGSA-N	379.504	2.080	0	1	GEAF	
C[C@@H]1OC(c2ccccc2O)=N[C@@H]1C1=N[C@@H](C2=N[C@H](C(=O)O)CS2)CS1	2356453844	OFLSZRFPWRAFSU-UKKREREHSA-N	391.474	2.039	0	1	GEAF	
CCSc1nc(=O)c([C@@H]2OC(=O)c3c2ccc(OC)c3OC)c(O)n1CC	103932804	MMQGGKBKLUQFFQ-CYBMUJFWSA-N	392.433	2.358	0	3	GEAF	
Nc1ccccc1C(=O)NCCN1CCN2Cc3[nH]c4ccccc4c3C[C@H]2C1	103281976	WJUYRTWKWMESCK-INIZCTEOSA-N	389.503	2.222	0	1	GEAF	
Cc1ccccc1S(=O)(=O)NC(=O)[C@]1(C)CCN1C(=O)C1CCCCC1	61908679	GCQBPCPMKGELTF-IBGZPJMESA-N	378.494	2.371	0	3	GEAF	
Cc1cccc(N2C[C@@H]3CCN(C(=O)c4c(F)cccc4-n4nccn4)C[C@@H]32)n1	116825345	IYROBDHTCYCLKD-YJBOKZPZSA-N	392.438	2.461	0	1	GEAF	
Cc1cccc(S(=O)(=O)NC(=O)[C@]2(C)CCN2C(=O)Cc2ccsc2)c1	61907053	LQWIIANYTAWHEU-SFHVURJKSA-N	392.502	2.095	0	3	GEAF	
CC[C@@H]1C[C@H]2C[C@@]3(C(=O)OC)c4[nH]c5cc(OC)ccc5c4[C@H](O)CN(C2=O)[C@@H]13	2356785234	SALCHJKMWLNFPY-AFBCZYEFSA-N	398.459	2.281	0	1	GEAF	
Cc1ccc([C@H]2C[C@@H]2COc2cc(NCc3cnn(C)c3)c(=O)n(C)n2)nc1	221924072	XFQFOFMRXLQIRL-CVEARBPZSA-N	380.452	2.012	0	1	GEAF	
CN1C[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]2[C@@]12C(=O)Nc1ccc(Cl)cc12	195495926	LUNLEWAMTYKVKX-RISOHXOYSA-N	399.809	2.378	0	1	GEAF	
COc1ccc(Nc2nc3c(-c4cnn(S(C)(=O)=O)c4)cccn3n2)cc1	147012257	OVNJGZGWZIASDU-UHFFFAOYSA-N	384.421	2.153	0	1	GEAF	
C/C=C1/CN2CC[C@@]34C(=Nc5ccc(OC)cc53)[C@H]2C[C@@H]1[C@]4(CO)C(=O)OC	618006181	JBFBTBFJYNNYPW-VVTZJSELSA-N	382.460	2.225	0	1	GEAF	
COc1ccc([C@H]2C3=C(COC3=O)N(CCO)c3cc(OC)c(OC)cc32)cc1	299822997	JDSDHMUTMZHDTP-HXUWFJFHSA-N	397.427	2.468	0	1	GEAF	
COC(=O)c1cccc2nc(CN(C)S(=O)(=O)c3ccc(F)cc3)[nH]c12	587169769	KDCAOHBIZWVWGP-UHFFFAOYSA-N	377.397	2.309	0	1	GEAF	
COC[C@@H](NC(=O)Nc1cc2[nH]nc(NC3COC3)c2cn1)c1ccccc1	1772612854	HVMISOUXXAUTJI-MRXNPFEDSA-N	382.424	2.278	0	1	GEAF	
CCCS(=O)(=O)N1CC[C@@H](Nc2ncccc2-c2cnc3[nH]ccc3n2)C1	169033254	VVAGTJJOXKEOOR-CYBMUJFWSA-N	386.481	2.246	0	1	GEAF	
O=C(NCCO)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12	169704234	XCBGRHHBQFJBBF-MRXNPFEDSA-N	387.390	2.071	0	1	GEAF	
CC1=C(c2cccc(Br)c2)S(=O)(=O)N=C1N1CCN(C)CC1	21215768	BIPICDSIKAYLLQ-UHFFFAOYSA-N	384.299	2.169	0	1	GEAF	
COC(=O)c1ccc2[nH]c([S@@](=O)Cc3nccc(OC)c3OC)nc2c1	13559435	ONXDCEYKZWLBBI-AREMUKBSSA-N	375.406	2.070	0	1	GEAF	
C[C@@H](N)[C@H]1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C1	13886252	UBOWFNLNGQTYJB-ZJUUUORDSA-N	377.391	2.486	0	1	GEAF	
C[C@@H]1COc2c(N3CC[C@@H](CN(C)C)C3)c(F)cc3c(=O)c(C(=O)O)cn1c23	26168248	PNZILQZIFUUTGZ-NEPJUHHUSA-N	389.427	2.180	0	1	GEAF	
N=C(N)c1ccc([C@H]2[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3[C@H]3CCCN23)cc1	40420454	QKVYJJDWLBNNSF-FYQPLNBISA-N	388.471	2.291	0	1	GEAF	
O=C1[C@H]2CCSN2C(=O)N1CCCCNC[C@@H]1CCc2ccccc2O1	73258621	DEWXSEHWONWXIE-JKSUJKDBSA-N	375.494	2.435	0	1	GEAF	
COc1ccc(NC(=O)Cc2nn3c(=O)c4c(C)c(C)sc4nc3[nH]2)cc1	103085751	ZLZXLWMHEGFFLF-UHFFFAOYSA-N	383.433	2.439	0	1	GEAF	
Cn1c(N2CCO[C@@H](c3ccc(F)c(N)c3)C2)nc(-c2ccncc2F)cc1=O	113089835	IPADDJGOKKUFKY-GOSISDBHSA-N	399.401	2.281	0	1	GEAF	
COc1ccc(NC(=O)Nc2ccc(Cn3cnc(O)c3C(N)=O)cc2)cc1	118151026	QSFMCUMGHDQZGU-UHFFFAOYSA-N	381.392	2.389	0	1	GEAF	
Cc1nc2cccnc2n2c(-c3cc(O[C@@H]4COC[C@H]4O)ccc3Cl)nnc12	145733319	GBEHIERNTCEIGH-HZPDHXFCSA-N	397.822	2.440	0	1	GEAF	
Cn1c(O[C@@H]2CCCN(c3ccccc3F)C2)nc(-c2ccncn2)cc1=O	146578515	OGNQLZVENUHHOS-CQSZACIVSA-N	381.411	2.424	0	1	GEAF	
COc1cccc(Cn2cc([C@@H](O)c3ccc(OC)c(OC)c3OC)nn2)c1	1772570245	HPYKLSVEXLORLV-SFHVURJKSA-N	385.420	2.443	0	1	GEAF	
c1cncc(CN2CCN(c3cc(N4CCCC4)nc(N4CCCC4)n3)CC2)c1	1772574346	ADCRWKOZMQLEEC-UHFFFAOYSA-N	393.539	2.394	0	1	GEAF	
NC(=O)c1cc2ccc(OC(F)(F)F)cc2n1-c1cnn(CCC(=O)O)c1	1857761666	WYKWDGQGMIYCQD-UHFFFAOYSA-N	382.298	2.299	0	1	GEAF	
COC1=C(OC)[C@@H]2C(=O)O[C@H]([C@H]3c4cc5c(cc4CCN3C)OCO5)[C@@H]2C=C1	2356640462	CRAVBINFWZGLSC-HDBZGKQISA-N	385.416	2.176	0	1	GEAF	
CCCCc1ccc(NC(=O)CN2NS(=O)(=O)c3ccccc3C2=O)cc1	3396564	JGGOOMHPVFUOMS-UHFFFAOYSA-N	387.461	2.317	0	3	GEAF	
Cc1ccc(S(=O)(=O)NC(=O)[C@]2(C)CCN2C(=O)C2CCCCC2)cc1	61908835	KYJUCWJJEDTRRG-IBGZPJMESA-N	378.494	2.371	0	3	GEAF	
COCCCN1C(=O)[C@@H](CC(=O)NC2CCCCC2)CC(C(=O)N(C)C)=C1C	61920987	PQWJIIQPRRRDSH-MRXNPFEDSA-N	393.528	2.073	0	3	GEAF	
COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cc2cc(C)ccc2[nH]c1=O	103969757	FGINANBKQOFFHD-UHFFFAOYSA-N	382.416	2.417	0	3	GEAF	
COc1ccc(S(=O)(=O)N[C@@H]2C3CCN(CC3)[C@@H]2Cc2cccnc2)cc1	28478075	LNSWSOBKCWWPQF-WOJBJXKFSA-N	387.505	2.074	0	1	GEAF	
O=c1[nH]c2cccnc2n1C1CCN(C[C@@H]2COc3ccc(F)cc3O2)CC1	27903839	VHOYUSGTZKZQNS-OAHLLOKOSA-N	384.411	2.341	0	1	GEAF	
C[C@@]1(C(=O)NS(=O)(=O)C2CC2)CCCN(C(=O)c2cccc(Cl)c2)C1	61903274	LPJMFSUOLFLSDL-QGZVFWFLSA-N	384.885	2.191	0	3	GEAF	
COc1cc(C[C@@H]2CN(C(C)=O)[C@H](Cc3ccccc3)CN2)cc2c1OCO2	13379065	AZQJCMKZNJKNSU-RTBURBONSA-N	382.460	2.398	0	1	GEAF	biogenic
CCCc1cn(CC[C@@H]2CC[C@H](NC(=O)C3CCCCC3)[C@H](CO)O2)nn1	95675278	GHLUFTIHFDMMKJ-FHWLQOOXSA-N	378.517	2.226	0	1	GEAF	
COc1ccc(OC[C@@H]2CN(Cc3ccccc3)S(=O)(=O)CCO2)cc1	96021253	RSWNAIXIUFYJGD-IBGZPJMESA-N	377.462	2.305	0	3	GEAF	
CC(C)NC(=O)N1[C@@H](CO)[C@H](c2ccccc2)[C@@H]1CN(C)C(=O)c1cccnc1	95894974	GJAZMKMKHGOQQI-SLFFLAALSA-N	396.491	2.101	0	1	GEAF	
CN(C)S(=O)(=O)c1ccc(-c2nc3c(Br)ncc(F)c3[nH]2)o1	586930806	HMMISRVSWQJQQS-UHFFFAOYSA-N	389.206	2.370	0	1	GEAF	
CN(Cc1nc2cc3nc(O)[nH]c3cc2[nH]1)S(=O)(=O)c1ccc(F)cc1	587169762	JYTJAFZJUJPBCN-UHFFFAOYSA-N	375.385	2.105	0	1	GEAF	
CCOC(=O)[C@H](NC(C)=O)[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	587568755	DKRHUYPHHHSPQP-LKUPVBHCSA-N	399.399	2.180	0	1	GEAF	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)C2(O)O	587823123	SKCACCOATJKIGZ-XYZCENFISA-N	392.224	2.243	0	1	GEAF	
O=S(=O)(NCc1nc2cc3c(cc2[nH]1)OCCO3)c1ccc(F)c(F)c1F	587136241	XQOZWIHLDNRFNB-UHFFFAOYSA-N	399.350	2.230	0	1	GEAF	
CCCCCOc1cc2nc([C@@H](O)[C@@H](O)C(=O)O)[nH]c2cc1Br	586890127	NLPAZKICAAEULU-QWHCGFSZSA-N	387.230	2.373	0	1	GEAF	
Nc1ccnc2[nH]c(-c3sccc3S(=O)(=O)NCc3ccco3)nc12	586945280	COCAZRPOGMCLCI-UHFFFAOYSA-N	375.435	2.340	0	1	GEAF	
C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2ccc(Br)cc2[nH]1	586938425	JMDAVWHAQATDBX-QMMMGPOBSA-N	384.259	2.098	0	1	GEAF	
Cc1c(O)ccc2c1[C@](C)(c1ccc3c(c1)NC(=O)[C@H](C)O3)N[C@H](C(=O)O)C2	963523516	IGKIJLUSVDUXPS-XTNUZHGASA-N	382.416	2.282	0	1	GEAF	
COc1n[nH]c2cc(NC(=O)/C=C(\c3ccccc3)C(C)(C)O)nc(CO)c12	1772652193	ZGKDNEQLQOXRMK-UKTHLTGXSA-N	382.420	2.252	0	1	GEAF	
COCCCn1nc([C@@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)c2ccccc21	1772581304	YWZHOTUYGFORME-DNVCBOLYSA-N	386.496	2.113	0	1	GEAF	
CN(Cc1ccccc1)[C@H](c1cccc2nc(O)c(O)nc12)P(=O)(O)O	13440501	QJEFKTCXLNVCHX-KRWDZBQOSA-N	375.321	2.349	0	1	GEAF	
CNC(=O)CCCn1cc(Br)c2cc(OC)c(OC)cc2c1=O	13800991	SLKMMTRKAOQUMS-UHFFFAOYSA-N	383.242	2.307	0	1	GEAF	
CC(C)CC(=O)OCC1=CO[C@H](OC(=O)CC(C)C)[C@@H]2C1=C[C@@H](O)[C@@]21CO1	14771148	XIQPIDYOUNZVOS-NMLACTOBSA-N	380.437	2.091	0	1	GEAF	endogenous,in-man
C[C@H]1C[C@@H](C)CN(CCCNC(=O)Cn2[nH]cc3c4ccccc4nc-3c2=O)C1	103711310	ALPZDKBCEAOYOF-IYBDPMFKSA-N	395.507	2.314	0	3	GEAF	
Nc1ncnc2c1ncn2CCOC[P@@]1(=O)OCC[C@H](c2cccnc2)O1	28974814	QCQZZEMHOWRTHB-PFUSGODGSA-N	390.340	2.149	0	1	GEAF	
c1cc(-c2cnc3[nH]cc(-c4cnn(CCN5CCOCC5)c4)c3n2)ccn1	224559853	JBYABIYRPIXQPV-UHFFFAOYSA-N	375.436	2.216	0	1	GEAF	
COc1ccccc1-c1ccc([C@@H]2[C@@H](CO)N(C(C)=O)C23CN(C(C)=O)C3)cc1	95666976	FIBBXZRMTLYBLV-IFMALSPDSA-N	394.471	2.270	0	1	GEAF	
O=C(CC1CC1)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2Cc1ccccn1	95662722	WUXVANVITFJQQY-IRLDBZIGSA-N	377.488	2.423	0	1	GEAF	
CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4cc(N)c(N)cc4[nH]3)c2)o1	586922935	FBWMNXBOBMASQX-UHFFFAOYSA-N	398.448	2.314	0	1	GEAF	
COc1cc2c3c(c1)O[C@](C)(CN1C(=O)c4ccccc4S1(=O)=O)[C@@H](C2)C3=O	587452131	MDQRJUMUXYLCAE-VBKZILBWSA-N	399.424	2.046	0	1	GEAF	
O=C(O)[C@H]1Cc2c(Cl)cc(F)c(F)c2C2(CCN(C(=O)C3CC3)CC2)N1	962972040	TZBLMQXJBAPCAT-CYBMUJFWSA-N	384.810	2.445	0	1	GEAF	
OC1CCN(C[C@@H](O)CC(O)(c2ccc(F)cc2)c2ccc(F)cc2)CC1	5127275	SCHHIRRGUHQLIR-FQEVSTJZSA-N	377.431	2.408	0	1	GEAF	
Cc1cc(-n2c(O)c3c(c2O)[C@H]2C=C[C@@H]3[C@H](O)[C@@H]2O)ccc1Br	169718544	VSFGIDVAKBHPOE-LMHVJCSRSA-N	378.222	2.432	0	1	GEAF	
O=C1C[C@](O)(C(F)(F)F)c2c(n[nH]c2C2CCN(c3cccnc3)CC2)N1	1857609268	LIXQONFUJBFYGI-MRXNPFEDSA-N	381.358	2.281	0	1	GEAF	
Cc1nnc(SCC(=O)Nc2ccc3c(c2)OCCO3)n1C[C@@H]1CCCO1	4388679	RIHGRHFZAQODHV-AWEZNQCLSA-N	390.465	2.268	0	3	GEAF	
CN1C(=O)[C@@]2(c3ccccc31)N(c1ccc(F)c(Cl)c1)C(=O)CS2(=O)=O	8597474	IIDKMVKSAJOXJN-KRWDZBQOSA-N	394.811	2.070	0	1	GEAF	aggregator
COc1ccc(C(=O)Nc2ccc(F)c([C@]3(C(F)F)COCC(N)=N3)c2)nc1	113656575	AWJDBGIBIVHLLE-SFHVURJKSA-N	394.353	2.329	0	1	GEAF	
O=C1O[C@@H](Cn2ccnn2)CN1c1ccc(-c2ccc3ncnn3c2)c(F)c1	103255141	QHFTXVUFWFILTG-AWEZNQCLSA-N	379.355	2.152	0	1	GEAF	
CNc1nc2cc(-c3cccc(C[C@@H](N)C(N)=O)c3)sc2n2c(C)cnc12	28950791	ILOYIIQDZQBDDS-CYBMUJFWSA-N	380.477	2.316	0	1	GEAF	
COC(=O)NC[C@H]1CN(c2ccc(N3Cc4cccnc4C3)c(F)c2)C(=O)O1	34292055	YAYBNHQJBPSZSU-AWEZNQCLSA-N	386.383	2.422	0	1	GEAF	
COc1cc(OC)c2c(c1)C(=O)O[C@@H]2c1coc(C[C@@H](C)OC(C)=O)cc1=O	14828364	DFDYHSDDWXQPEL-GIGQVBGESA-N	388.372	2.411	0	1	GEAF	biogenic
CCCCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCC(C(N)=O)CC3)cc21	84668658	REALBCQLQWPIBQ-UHFFFAOYSA-N	389.427	2.341	0	1	GEAF	
O=C1c2ccccc2C(=O)N1C1CCN(Cc2ccc(OCCO)cc2)CC1	95784690	BMOTXYPBBZHLIB-UHFFFAOYSA-N	380.444	2.318	0	1	GEAF	
CC(C)(CO)c1cc(NC(=O)c2ccc3cc4n(c3c2)CCCNC4=O)on1	147828738	INAKAFWEISWUGV-UHFFFAOYSA-N	382.420	2.285	0	1	GEAF	
COC(=O)c1ccc2nc(CS(=O)(=O)NC3CCC(C)CC3)[nH]c2c1OC	586952217	DWBZJOSHBCOAQV-UHFFFAOYSA-N	395.481	2.356	0	1	GEAF	
COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2ccc(C(=O)OC)c(OC)c2[nH]1	587231191	MMGYDEPPFRBDPX-OLZOCXBDSA-N	389.452	2.395	0	1	GEAF	
N[C@H](N=O)c1ccc2nc(C[C@H](NC(=O)OCc3ccccc3)C(=O)O)[nH]c2c1	587203009	MKGCBYDUBKPSFZ-DOTOQJQBSA-N	397.391	2.209	0	1	GEAF	
COc1ccc2c(c1)[C@]13CCN(CC4CC4)C[C@]1(CC[C@@]1(C3)NC(=O)NC1=O)C2	1772570088	OWQCCLBKHGKZEW-ZRBLBEILSA-N	395.503	2.353	0	1	GEAF	
CN(Cc1ccc(Br)cc1)CC1CCN(c2nc(N)n[nH]2)CC1	1772632260	XUYWIZKMAONWEA-UHFFFAOYSA-N	379.306	2.498	0	1	GEAF	
O=C(O)Cc1nn(Cc2nc(-c3cccc(F)c3F)no2)c(=O)c2ccccc12	13449035	UXDVIJPPULWUMJ-UHFFFAOYSA-N	398.325	2.400	0	1	GEAF	
CCOC(=O)[C@@H]1CCCN(C(=O)CN2C(=O)[C@@H](CC)Oc3ccc(C)cc32)C1	4110506	XABCHADCXUZYQW-NVXWUHKLSA-N	388.464	2.301	0	3	GEAF	
CCC(=O)Nc1ccnc(Sc2ccc(N3CCN(C)CC3)nc2OC)n1	103254928	HGLRZRGTXNJLEN-UHFFFAOYSA-N	388.497	2.132	0	1	GEAF	
COCc1cc(C[C@@H]2CC[C@@H](O)[C@@H](CNC(=O)Nc3ccc(F)cc3)O2)no1	2356287317	GUPPHIOFGROWIM-CGTJXYLNSA-N	393.415	2.233	0	1	GEAF	
COC(OC)[C@@H]1CSCN1C(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1	28259522	KONWGJHQYGFCBA-HOTGVXAUSA-N	394.493	2.308	0	1	GEAF	
COC(=O)N1c2ccccc2[C@@H]2[C@H]3N4CCC[C@@]35CC[C@]21[C@@](O)(C5)C(=O)CC4	2356441590	XOIGPMIFRQEUAS-VBCWZRPASA-N	382.460	2.448	0	1	GEAF	
O=C1O[C@H](CO)[C@H](Cc2ccc3c(c2)OCO3)[C@@H]1Cc1ccc2c(c1)OCO2	2356587543	ORMBJJWNRAOORJ-QEEYODRMSA-N	384.384	2.079	0	1	GEAF	
CN(C)CCc1cc2c(cc1[C@H](O)[C@@H]1OC(=O)c3c1ccc1c3OCO1)OCO2	14612501	YLDLNSVEMCPXKU-RBUKOAKNSA-N	399.399	2.193	0	1	GEAF	biogenic
CCCS(=O)(=O)Nc1ccc(F)c(NC(=O)Nc2cc(N)ncn2)c1F	84668841	XWBHPBYRUPXSMT-UHFFFAOYSA-N	386.384	2.133	0	1	GEAF	
CC(=O)NC[C@@H]1[C@@H](c2ccc(-c3cccnc3)cc2)[C@@H](CO)N1C(=O)CC1CC1	95667309	RFUYSUKLMALKFK-MQSCRBSSSA-N	393.487	2.340	0	1	GEAF	
N[C@H](C(=O)N1C[C@H](F)[C@@H](F)C1)[C@H]1CC[C@H](NC(=O)OCc2ccccc2)CC1	253636166	PKKRAIPZCYLNRN-ATIWLJMLSA-N	395.450	2.317	0	1	GEAF	
O=C1COc2cc(Br)ccc2N1CCc1nc2ccnc(O)c2[nH]1	587003290	SRGFVQQWZDFOCZ-UHFFFAOYSA-N	389.209	2.394	0	1	GEAF	
CNC(=O)COc1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1OC	587431862	IEVCURSJUSHZRM-SZNDQCEHSA-N	383.400	2.317	0	1	GEAF	
CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2c[nH]c(=N)[nH]c-2n1	586937699	MTKKYSFXNNPRSE-GFCCVEGCSA-N	380.861	2.046	0	1	GEAF	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CCN1CCN(C)CC1	587869267	DZRWMZZUDXXQAZ-UHFFFAOYSA-N	397.401	2.250	0	1	GEAF	
CC1(CC(=O)N2CCC3(CC2)C[C@H]3CNC(=O)N2Cc3ccncc3C2)COC1	1772618273	XTLQWWOBQUJTIR-SFHVURJKSA-N	398.507	2.162	0	1	GEAF	
COCCC(=O)N1CCC(n2nccc2NC(=O)c2ccc(OC)cc2)CC1	11838440	CHXNKNUHJBQJDZ-UHFFFAOYSA-N	386.452	2.344	0	1	GEAF	
CCOC(=O)[C@H]1[C@@H](c2ccc(Cl)cc2)NC(=S)N[C@@]1(O)C(F)(F)F	13686176	WOPRLQIRUQIUTM-BREBYQMCSA-N	382.791	2.289	0	1	GEAF	
COc1ccccc1N1CCN(CCNC(=O)c2noc3ccccc23)CC1	13737870	ZPEOMOBNWFUZJX-UHFFFAOYSA-N	380.448	2.388	0	1	GEAF	
CCCCOc1ccc(CNc2nc3nc(CC(=O)OC)cc(O)n3n2)cc1	15668975	KMQLMDOBCWJEMY-UHFFFAOYSA-N	385.424	2.336	0	1	GEAF	
Cc1c(N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@@H]3C2=O)[C@@H]2C[C@H]42)c(=O)n(-c2ccccc2)n1C	169295022	QKMUGOSVGDEHFO-ZXLDYLNASA-N	375.428	2.042	0	1	GEAF	
COc1ccc([C@H]2[C@@H](C(=O)c3ccccc3)C(=O)C(=O)N2C[C@@H](C)O)c(OC)c1	169687294	JIRPRLPGOFAVAX-VMDGZTHMSA-N	397.427	2.036	0	1	GEAF	
COc1ccc2c(c1O)CCC[C@H](O)[C@@]2(O)c1cc(OC)c(OC)c(OC)c1	1857562249	CPDVEOMAYWZUSX-GHTZIAJQSA-N	390.432	2.360	0	1	GEAF	
CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](NC(=O)c2cccnc2)C=C[C@H]3[C@H]1C5	1857751523	CKZUVSFCIJFOQW-NXASZBTQSA-N	389.455	2.031	0	1	GEAF	
C/C=C1\C[C@@H](C)[C@@](C)(OC(C)=O)C(=O)OCc2ccn3c2[C@H](CC3=O)OC1=O	5132696	NTGIQQBAUYBEBF-KYRPGFEVSA-N	389.404	2.467	0	1	GEAF	
C[C@H](c1ccccc1)N1C(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)CCN2C1=O	5415747	ICDSRCNREDJUNL-QAPCUYQASA-N	399.472	2.085	0	1	GEAF	biogenic
Cn1cc2c(nc(NC(=O)Nc3ccccn3)n3nc(-c4ccco4)nc23)n1	13683578	YFKPFCQGQVDYJK-UHFFFAOYSA-N	375.352	2.310	0	1	GEAF	
Cc1ccc(C(=O)COC(=O)[C@H](C)N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)cc1C	13845391	KLTXDFMSUAOPBW-DRACIFKTSA-N	381.428	2.225	0	1	GEAF	
CCOC(=O)c1ccccc1NC(=O)N1CCCN1C(=O)[C@@H](N)[C@H](C)CC	28330570	JBBNVIUANFBRBD-CJNGLKHVSA-N	376.457	2.218	0	1	GEAF	
C[C@@H]1CN(c2c(F)cc3c(=O)c(C(=O)O)cn([C@@H]4C[C@H]4F)c3c2F)CCN1	58492052	ZKANFWGDCSTQRW-XTWCZFFVSA-N	381.354	2.059	0	1	GEAF	
Cc1ccc(-c2nc(C(=O)N3CCC[C@H]3C(=O)N3CCCNCC3)co2)cc1	82073071	TYBOIWWDGHSHBL-SFHVURJKSA-N	382.464	2.077	0	1	GEAF	
Cc1cnc(NC[C@H](C)O)nc1-c1c[nH]c(C(=O)N[C@H](CO)c2ccccc2)c1	87612978	MWOQMLPVGIVZIK-KBXCAEBGSA-N	395.463	2.036	0	1	GEAF	
CC(C)Nc1nc(-c2ccc(NS(C)(=O)=O)cc2)cc2ncn(C)c(=O)c12	143109680	WWGHORFAZSIFNP-UHFFFAOYSA-N	387.465	2.187	0	1	GEAF	
COc1cc(-c2cc([C@@H]3[C@H]4CN(C5COC5)C[C@H]43)n(C3CCC3)n2)cnc1N	148077139	IYOQVKIDDDYMAC-IGOJGBNBSA-N	381.480	2.305	0	1	GEAF	
CNC(=O)Cn1c(=O)n(C2CCN([C@H]3C[C@H]4CC[C@H]3C4)CC2)c2ccccc21	253863577	HPUKHZULLSYZHF-FTRWYGJKSA-N	382.508	2.375	0	1	GEAF	
C=C1C=C(C)[C@H](CC)OC(=O)[C@H](C)C(=O)[C@@](O)(CO)[C@H](OC)C=C[C@@H](C)C1	299812453	QPAKKFXBRDOIDW-GUFUGUNKSA-N	380.481	2.350	0	1	GEAF	
C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cccc(Br)c2[nH]1	586938572	KMGBZZKIPAHTEZ-MRVPVSSYSA-N	384.259	2.098	0	1	GEAF	
CCOC(=O)C(=O)C[C@]1(c2ccccn2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	587436922	VHVDTLVQDBNEEP-SZNDQCEHSA-N	381.384	2.255	0	1	GEAF	
Cc1nn(C)c(C)c1[C@]1(C(N)=O)N[C@@H](C)Cc2ccc(F)c(Br)c21	587754127	CTGADOIPRPBKAZ-QPFGOUBPSA-N	395.276	2.202	0	1	GEAF	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccnc(NN)c1	587868253	JNSSKIZGNHCKQZ-UHFFFAOYSA-N	378.314	2.342	0	1	GEAF	
Cc1ccc(C[C@H](NC(=O)[C@@H]2NC(=O)[C@@H]3CCCC[C@@H]3N2)c2ccccn2)cc1	618014919	BZMMMPVKLKPHDA-ZFMNYDKASA-N	392.503	2.394	0	1	GEAF	
CNC(=O)Nc1sc2c(C(C)C)cc(NS(C)(=O)=O)cc2c1C(N)=O	1857656906	HSIFBFWLWLSHNI-UHFFFAOYSA-N	384.483	2.246	0	1	GEAF	
COCCCNC(=O)c1ccc(Cn2c(=O)c3cccn3c3cccnc32)cc1	8589068	WIBYTVAHTSTDGB-UHFFFAOYSA-N	390.443	2.464	0	1	GEAF	
COc1cccc(-n2c(=O)n(C)c3c(C(N)=O)nc(-c4ccccc4F)nc32)c1	9835429	YJCOPASZSWCLPB-UHFFFAOYSA-N	393.378	2.033	0	1	GEAF	
Cc1ncc2c(n1)[C@@H]1Oc3c(O)ccc4c3[C@]13CCN(CC1CC1)[C@@H](C4)[C@]3(O)C2	28523573	TXYHVHRAQHKCHR-AIZKBTNYSA-N	391.471	2.190	0	1	GEAF	
O=C1[C@H]2C[C@@H](CN2C(=O)c2ccno2)Oc2ccccc2N1Cc1cccnc1	2356657068	UCEXHDWMJNZDHY-DOTOQJQBSA-N	390.399	2.279	0	1	GEAF	
CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2C(C)=O	34010047	OHSHVNCARFVERY-QFIPXVFZSA-N	390.395	2.282	0	1	GEAF	
CC(C)CC(=O)NC[C@H]1CN(c2ccc(-c3nnc4ncccn34)cc2)C(=O)O1	71334563	KLQKWGBHLIGNLN-INIZCTEOSA-N	394.435	2.279	0	1	GEAF	
COc1ccccc1Nc1nc(N[C@H]2CCCC[C@H]2N)n2ccnc2c1C(N)=O	40861104	QOLVVSMHPZMZGR-OLZOCXBDSA-N	395.467	2.262	0	1	GEAF	
C[C@H]1C[C@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)O	40475132	PFAGPIFFRLDBRN-VBFPESPFSA-N	378.440	2.419	0	1	GEAF	
N[C@H](C(=O)N1CCSC1)[C@H]1CC[C@H](NC(=O)OCc2ccccc2)CC1	253634682	IMQBTVOWEGWZTQ-ULQDDVLXSA-N	377.510	2.332	0	1	GEAF	
CNS(=O)(=O)c1ccc(CCc2nc3cc(F)cc(C(=O)O)c3[nH]2)cc1	586947099	SHDRPPHNSGQZFW-UHFFFAOYSA-N	377.397	2.094	0	1	GEAF	
NS(=O)(=O)c1ccc(Nc2cc(NC3CCCCC3)nc3ncnn23)cc1	14948100	VPOGRVWIIVMWRI-UHFFFAOYSA-N	387.469	2.260	0	1	GEAF	in-vivo
O=C(CN1CCCCC1)N1CCC(n2cc(-c3nc[nH]c4nccc3-4)cn2)CC1	1857543100	FXRQRAMDNLHREN-UHFFFAOYSA-N	393.495	2.422	0	1	GEAF	
C[C@]1(c2ccc(C(=O)O)cc2)NC(=O)N(CC(=O)c2ccc(F)cc2F)C1=O	1857585557	MTFBNZRVTLRWBX-LJQANCHMSA-N	388.326	2.313	0	1	GEAF	
Cc1csc(SCC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)n1	3428786	MYAVWDWCPDAHTF-UHFFFAOYSA-N	398.531	2.447	0	3	GEAF	
CNc1nc2cc(-c3cccc(C[C@H](N)C(N)=O)c3)sc2n2c(C)cnc12	28950793	ILOYIIQDZQBDDS-ZDUSSCGKSA-N	380.477	2.316	0	1	GEAF	
Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3c[nH]c4ncccc34)[C@H](C)C2)cc1	28826919	NHMZZPYSOHOZKU-OAHLLOKOSA-N	398.488	2.407	0	1	GEAF	
CCN(CC)c1ncnc2c1ncn2[C@H]1CN(Cc2ccccc2)C[C@@H](CO)O1	61925763	GKMYTJODJHDQRO-ZWKOTPCHSA-N	396.495	2.064	0	3	GEAF	
CN1C[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]2[C@@]12C(=O)Nc1ccccc12	195449744	UMKQHLAXKPCSDV-PSGMQZRDSA-N	381.819	2.239	0	1	GEAF	
CCCn1c(=O)c(NC(=O)c2ccncc2)c2n(c1=O)[C@H](c1ccccc1)CN2	82210471	ODOIXIZWRWMJMX-INIZCTEOSA-N	391.431	2.082	0	1	GEAF	
CCCCN1CCS(=O)(=O)N(Cc2ccc(Cl)cc2)[C@@H](C(=O)OC)C1	263590618	CKMKTHKIHYNKFH-MRXNPFEDSA-N	388.917	2.129	0	3	GEAF	
CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2cc3c(cc2[nH]1)OCC(=O)N3	587194123	LZAPRGRFAFXFFX-NSHDSACASA-N	389.456	2.411	0	1	GEAF	
C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2c(Br)ccnc2[nH]1	586958614	KGCBLEGXCYJERD-AWEZNQCLSA-N	397.254	2.189	0	1	GEAF	
Cn1nccc1CS(=O)(=O)Cc1nc2cc(Br)c(F)cc2[nH]1	586923844	YGXNHTOSMDUPDN-UHFFFAOYSA-N	387.234	2.313	0	1	GEAF	
CC(=O)NC12CC3C[C@@H](C1)C1(NCCc4ccc(C(=O)N(C)C)cc41)[C@@H](C3)C2	962927219	FBRINAIGEASHGY-ACKFALCCSA-N	381.520	2.444	0	1	GEAF	
CCn1cc([C@]2(CC(=O)C(=O)OC)NCCc3c2sc(C)c3C)c(C)n1	963004158	BEYHCQFYPXLFSH-IBGZPJMESA-N	375.494	2.411	0	1	GEAF	
O=C1Nc2ncccc2[C@@]12Cc1cc3ccc(CN4CCNCC4)nc3cc1C2	169703603	CCDOKLLKHRMRLO-QHCPKHFHSA-N	385.471	2.024	0	1	GEAF	
O=C1c2cccc3c(N4CCNCC4)ccc(c23)C(=O)N1Nc1nccs1	1857750064	YXWGHGCETSIPHS-UHFFFAOYSA-N	379.445	2.329	0	1	GEAF	
C[C@H](C(=O)NC1[C@H]2CC3C[C@H]1CC(O)(C3)C2)N1CC(Oc2ccccc2F)C1	101064679	XNSQYEZFDGACIR-HJOWHGFTSA-N	388.483	2.333	0	1	GEAF	
CC(C)(C(=O)NC1[C@H]2CC3C[C@@H]1CC(S(N)(=O)=O)(C3)C2)c1ccccc1	28883442	NNKZNDAYDMLMIA-UUDGIEBZSA-N	376.522	2.316	0	1	GEAF	
CCCCC[C@H](O)C=C[C@@H]1[C@H](O)CC(=O)[C@@H]1CC=CCCCC(=O)NCCO	2356710022	GKKWUSPPIQURFM-YOUFYPILSA-N	395.540	2.275	0	1	GEAF	
N[C@H](CCc1ccccc1)[P@](=O)(O)C[C@@H](NCc1ccccc1)C(=O)O	28652420	TUZAXYBXMIKEII-MSOLQXFVSA-N	376.393	2.417	0	1	GEAF	
COc1cc(C(=O)c2cn(-c3ccc4c(c3)OCO4)nn2)cc(OC)c1OC	66259252	PMVNPAKNTPUJSV-UHFFFAOYSA-N	383.360	2.253	0	1	GEAF	
Nc1cc(C(=O)NCC(=O)c2ccc(C(=O)Nc3ccccc3N)cc2)ccn1	72175951	DKKGAPROUJEOOD-UHFFFAOYSA-N	389.415	2.111	0	1	GEAF	
O=C(CN1CCCCC1)N1CCc2[nH]c(-c3cc4ccccc4[nH]c3=O)nc2C1	84618407	HBKAFCKKZPDRIZ-UHFFFAOYSA-N	391.475	2.289	0	1	GEAF	
COc1cc2c(cc1OS(=O)(=O)O)C[C@H]1NCCc3cc(OC)c(O)c-2c31	95099668	QXNNNQLHPKSGNF-GFCCVEGCSA-N	393.417	2.001	0	1	GEAF	biogenic,in-vitro
O=C(Nc1ccccc1F)N[C@@H]1C=C[C@H](CC(=O)N2CCCCC2)O[C@@H]1CO	95906441	DLOREXMLRXXTRO-ZTFGCOKTSA-N	391.443	2.034	0	1	GEAF	
CC(C)NC(=O)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2C(=O)C1CCCC1	95794634	OTKFBCIOELUYNZ-MOPGFXCFSA-N	385.508	2.336	0	1	GEAF	
CCCNC(=O)N[C@@H]1CC[C@@H](CCn2cc(C3CCCCC3)nn2)O[C@@H]1CO	95903206	DEXIUYVPHBRLOT-YQVWRLOYSA-N	393.532	2.334	0	1	GEAF	
O=C(c1ccccn1)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)CC1CC1	95894087	NVUGYHXQYKKVPN-QKNQBKEWSA-N	377.444	2.197	0	1	GEAF	
O=C(O)C[C@H]1C[C@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@H]2[C@@H](CO)O1	95899389	NDCVSESZJQEXEJ-ZSFPCNDZSA-N	390.436	2.220	0	1	GEAF	
CCCCO[C@@H]1C[C@H](C(=O)N[C@@H](CO)[C@H](C)CC)N(C(=O)c2ccco2)C1	299876536	FWAFAYUTYQILIP-WCXIOVBPSA-N	380.485	2.203	0	1	GEAF	
COc1ccc2c(c1)N(CCO)C1=C(C(=O)OC1)[C@H]2c1ccc(OC)c(OC)c1	299822993	JDOVLOHNVQKABN-FQEVSTJZSA-N	397.427	2.468	0	1	GEAF	
Cc1cc(Br)cc2nc([C@@H](C)NS(=O)(=O)c3cnn(C)c3)[nH]c12	586937540	GISJLMGTUVHEPT-SECBINFHSA-N	398.286	2.407	0	1	GEAF	
CC[C@H](Sc1nc(C)cc(O)n1)c1nc2cccc(S(N)(=O)=O)c2[nH]1	586962831	HXXZZPLPVBGUPM-JTQLQIEISA-N	379.467	2.258	0	1	GEAF	
Oc1ccc2c3c1O[C@H]1c4ncccc4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314	13487529	UUKFYSADJMUSTK-LMDOGRNLSA-N	376.456	2.486	0	1	GEAF	
O=C(c1cccs1)N1CCN2C(=O)N(CCc3cccs3)C(=O)[C@H]2C1	5433722	JURNZZDZFHBDPX-CYBMUJFWSA-N	375.475	2.141	0	1	GEAF	biogenic
CN(C)c1ccc(C(=O)OC[C@]2(CO)C/C(=C/c3ccncc3)C(=O)O2)cc1	45495782	PUONMCPYNHSWMF-DGJFXRHUSA-N	382.416	2.066	0	1	GEAF	
CCOC(=O)C1=C(O)c2ccccc2S(=O)(=O)N1CC(=O)c1ccccc1	49767672	ALHMWVQSOOYWJA-UHFFFAOYSA-N	387.413	2.364	0	1	GEAF	
Nc1ccc(S(=O)(=O)NCc2cn(Cc3cccc(Cl)c3)nn2)cc1	64480309	NXJSVSAQMWATLW-UHFFFAOYSA-N	377.857	2.041	0	1	GEAF	
CC1(C)[C@H]2CC[C@H](C2)[C@H]1OC(=O)[C@H](NC(=O)[C@@H](N)CC(=O)O)c1ccccc1	95597726	YFVRRMMIGHFGGP-MISMHTLLSA-N	388.464	2.014	0	1	GEAF	
O=C(CC1CC1)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2C(=O)c1ccccn1	95667423	RLYKYPAHMRTYLA-CTNGQTDRSA-N	391.471	2.063	0	1	GEAF	
COc1ccc(-c2cc3c(C)nc(N)nc3n(C3CCC(=O)CC3)c2=O)cn1	117760826	DCSIILMUEDEUPF-UHFFFAOYSA-N	379.420	2.437	0	1	GEAF	
NC(=O)[C@H]1CC(F)(F)CN1C(=O)c1cc(OCC(F)(F)F)c(C2CC2)cn1	146422877	TXJZCVPDHAMLBN-LLVKDONJSA-N	393.312	2.235	0	1	GEAF	
Cc1cc(-n2c(O)c3c(c2O)[C@H]2C=C[C@H]3[C@H](O)[C@@H]2O)ccc1Br	169718545	VSFGIDVAKBHPOE-IDMWTJEOSA-N	378.222	2.432	0	1	GEAF	
CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NC(=O)OC(C)(C)C)[C@H]1NC(C)=O	197743228	BNGWANQLKNMCCM-ARFHVFGLSA-N	384.473	2.373	0	1	GEAF	
COc1ccc(S(=O)(=O)N[C@@H](c2nc3ccnc(Cl)c3[nH]2)[C@@H](C)O)cc1	586939497	UZVMOHRCMRESLZ-NOZJJQNGSA-N	396.856	2.020	0	1	GEAF	
COc1cc2c3c(c1)O[C@](CN)(c1ncn(Cc4ccccc4)c1N)[C@@H](C2)C3=O	587432279	VRTPCFJRDPLQNH-AOMKIAJQSA-N	390.443	2.124	0	1	GEAF	
O=C(O)c1cc2n(n1)CCC[C@]21N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21	962971155	SOSBDLZATRLJIJ-QGHHPUGFSA-N	397.765	2.149	0	1	GEAF	
CC(=O)O[C@]1(c2ccc3c(c2)OCO3)C(=O)OC[C@@H]1Cc1ccc2c(c1)OCO2	2356474895	HKKUYQLJIRAPRD-BTYIYWSLSA-N	398.367	2.318	0	1	GEAF	
CC1(C)O[C@@]23[C@H](O)[C@H]1[C@H](O)[C@H](OCc1ccccc1)[C@@]2(C)CCC[C@]3(C)O	2356708502	RYQNPYYRVCATRG-QZEKEZNHSA-N	376.493	2.412	0	1	GEAF	
Cc1ccsc1C(=O)N1CC[C@]1(C)C(=O)NS(=O)(=O)c1ccccc1	61897293	WNFWLZDHUIPUNW-QGZVFWFLSA-N	378.475	2.166	0	3	GEAF	
COc1ccc(CN[C@@H]2C[C@H](O)[C@@H](CO)[C@@H]2Cc2ccnc(C(C)C)n2)cc1	2356288822	LJTIMLQZYYXGBR-BURNTYAHSA-N	385.508	2.299	0	1	GEAF	
COc1ccc(CCNC[C@@H](O)COC(=O)c2cccc(F)c2)cc1OC	25970884	KMAYGCQZUYYMPJ-QGZVFWFLSA-N	377.412	2.193	0	1	GEAF	
CNC[C@@H]1Oc2ncc(-c3ccccc3C)cc2C(=O)N([C@H](C)CO)C[C@H]1C	95715255	KRNBFKLEYNUIPW-QINHECLXSA-N	383.492	2.497	0	1	GEAF	
O=C(NC[C@@H]1[C@H](c2ccccc2)[C@@H](CO)N1Cc1cccnc1)c1ccccn1	95895959	SYVBQOCIBBMOLP-VSKRKVRLSA-N	388.471	2.236	0	1	GEAF	
CC(=O)[C@@H](CC(=O)O)[C@@H]1C[C@H]2c3c(c4ccccc4n3C)C[C@@H]([C@@H]1CO)N2C	299836212	MWFHBQDCJDLLJP-UPSZCFJUSA-N	384.476	2.384	0	1	GEAF	
COc1cc(-c2nc3ccc(C(=N)N)cc3[nH]2)ccc1OCC(=O)NC(C)C	587225658	UJOBXVWYWUJXMG-UHFFFAOYSA-N	381.436	2.426	0	1	GEAF	
CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2c(S)nc(S)nc2[nH]1	587194124	LZGJXVIZJBXSPC-MRVPVSSYSA-N	384.531	2.448	0	1	GEAF	
Oc1nncc2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c12	587118303	LJMKJFNOHHVVPY-UHFFFAOYSA-N	377.124	2.279	0	1	GEAF	
Cc1c2c(nn1C)[C@@H](c1ccc(OCCCCN(C)C)cc1)N[C@H](C(=O)O)C2	962710135	LAZDQKJTWGLWEN-RBUKOAKNSA-N	386.496	2.137	0	1	GEAF	
COc1cccc(CN2C[C@@H](C(=O)NCCCn3ccnc3C)CCC2=O)c1	12307247	YYRBCRGOLRXPNC-SFHVURJKSA-N	384.480	2.145	0	3	GEAF	
Cc1cc(CNC(=O)[C@]2(C(F)(F)F)C[C@H](CCCO)CCCO2)nn1C	13829138	NMKGXEKUYCZOQN-CJNGLKHVSA-N	377.407	2.235	0	3	GEAF	
N=c1nc(-c2ccccc2CO)[nH]c(=NCc2cccc(C(F)(F)F)c2)[nH]1	1857557779	JAFMFDNUUHAKPB-UHFFFAOYSA-N	375.354	2.496	0	1	GEAF	
COCC(=O)N[C@@H]1CC[C@]2(C)CC[C@H]([C@H](C)C(=O)N3CCCC3)[C@H](O)[C@H]2[C@@H]1C	2356320301	TZIGWNROWUQXOF-XJAZXDLFSA-N	394.556	2.199	0	1	GEAF	
CC(C)Nc1nc(-c2ccc(N3CCOCC3)nc2)cc2ncn(C)c(=O)c12	115624086	KJNNQVIMQYPGDZ-UHFFFAOYSA-N	380.452	2.047	0	1	GEAF	
O[C@H]1CC(CNCc2cccnc2)(COc2ccc(C(F)(F)F)cn2)C[C@@H]1O	2356455069	FUIIMYBQZDDCPM-HOTGVXAUSA-N	397.397	2.166	0	1	GEAF	
CC1(C)Oc2cc(CC3=C(c4ccc(O)cc4)C(=O)NC3=O)ccc2C[C@@H]1O	2356661581	HHIRVNNDHTUHTB-SFHVURJKSA-N	379.412	2.119	0	1	GEAF	
COc1ccc([C@]2(O)c3cc4c(cc3C(=O)[C@@]2(C)C(C)=O)OCO4)cc1OC	13306239	MSTPUIOMVZYEKG-RTWAWAEBSA-N	384.384	2.460	0	1	GEAF	biogenic
COc1cccc(CNc2nc(N3CCC[C@@H](C(N)=O)C3)ncc2C)c1OC	82204312	ILUYRWDLSGFIDC-OAHLLOKOSA-N	385.468	2.116	0	1	GEAF	
CCCC[C@H](CN(O)C=O)C(=O)N1CC=C[C@H]1C(=O)N[C@H](C)c1ccccc1	49052651	YLRPNKCRYPTMAP-QRQLOZEOSA-N	387.480	2.285	0	1	GEAF	
Cc1ccc(-n2nccn2)c(C(=O)N2[C@H]3CC[C@@H]2C[C@H]3COc2ccccn2)n1	226050814	SPNVMISESJDLQJ-BBWFWOEESA-N	390.447	2.438	0	1	GEAF	
Nc1cc(Cn2c(C(=O)O)c(-c3ccc[nH]c3=O)c3cc(O)ccc32)ccn1	84614530	INSLVEBTRGPZJP-UHFFFAOYSA-N	376.372	2.426	0	1	GEAF	
CC(=O)OC[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@](CO)([C@H](O)CO)O[C@@]3(C)CC[C@H]12	238755680	QPAYHBCUXRMDDV-CSGHFTSRSA-N	398.540	2.426	0	1	GEAF	
CC(C)CCOc1cc2nc([C@H](O)[C@H](O)C(=O)O)[nH]c2cc1Br	586886089	DTPRAZQNCYXQBF-OLZOCXBDSA-N	387.230	2.229	0	1	GEAF	
CCOC(=O)c1c[nH]nc1[C@H]1N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21	962969328	QGGVBUMKIKFWIT-YGRLFVJLSA-N	385.754	2.206	0	1	GEAF	
CCn1c(=O)n(O)c(=O)c2cc(-c3cn(Cc4ccc(F)cc4F)nn3)ccc21	1772608693	WACIXWIDZIDDLJ-UHFFFAOYSA-N	399.357	2.005	0	1	GEAF	
NCC1CCN(CC(=O)Nc2cccc3c2C(=O)c2c-3n[nH]c2C2CC2)CC1	12355079	VSFMTQXQSZZVEU-UHFFFAOYSA-N	379.464	2.108	0	1	GEAF	
CO[C@@H](C)CN(CCc1ccc(Cl)cc1)C1CCN(c2nc(=N)[nH][nH]2)CC1	1857580845	MUXFIGHAJRPNFA-AWEZNQCLSA-N	392.935	2.419	0	1	GEAF	
CCOC(=O)[C@H]1[C@H](c2ccc(OCC)cc2)[C@@H](C(=O)OCC)C(=O)C[C@]1(C)O	1197483	SYMQGPSLVUNGPV-IIMDRIAPSA-N	392.448	2.251	0	1	GEAF	
Cc1nc(N)nc(-c2cccnc2Nc2ccc(NC(=O)NC(C)C)nc2)n1	113240769	SSMJAUVOQAUFJB-UHFFFAOYSA-N	379.428	2.493	0	1	GEAF	
COC(=O)[C@@H]1C[C@@]23CCCN4CC[C@]5(c6cccc(OC)c6N[C@@]15CC2)[C@]43O	2356770080	WSGUCCCLBAHHRU-MCBQPRCJSA-N	384.476	2.259	0	1	GEAF	
CC(=O)OCCOCn1nc(C(N)=O)nc1Sc1ccc2ccccc2c1	49111755	LUAVEPFGUJRXIE-UHFFFAOYSA-N	386.433	2.219	0	1	GEAF	
Cc1cc(C(=O)N2CCC3(CC2)CC(=O)c2nc(N)ccc2O3)cc2cn[nH]c12	49111817	IXLBIZAPYZDGEE-UHFFFAOYSA-N	391.431	2.489	0	1	GEAF	
CC(=O)Nc1ncc(C)c(-c2c[nH]c(C(=O)N[C@H](CO)c3ccccc3)c2)n1	89469311	NSOKJEYEALIOHA-QGZVFWFLSA-N	379.420	2.202	0	1	GEAF	
Cc1ccc(Nc2nc(N)nc(CN3C(=O)NC4(CCCCC4)C3=O)n2)cc1	45385915	LYSQKWDUPSIMCD-UHFFFAOYSA-N	381.440	2.261	0	1	GEAF	
COc1ccc(N2CCc3c(NS(=O)(=O)c4ccccc4)n[nH]c3C2=O)cc1	96916154	XVEKZNVIOWVFBC-UHFFFAOYSA-N	398.444	2.422	0	1	GEAF	
C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(=O)Cc3ccncc3)[C@@H]2CNC(C)=O)cc1	95895062	XZLFCFHMTBWLEL-CUXMVXDCSA-N	393.487	2.149	0	1	GEAF	
O=C(O)CCC(=O)N1CCc2ccccc2[C@H]1CN1C(=O)c2ccccc2C1=O	95872208	UGWUSURXHUWTHS-GOSISDBHSA-N	392.411	2.273	0	1	GEAF	
CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](N(CCC(C)C)C(=N)N)[C@H]1NC(C)=O	299831663	FGNFWEVSPBDMTE-RCCFBDPRSA-N	396.532	2.090	0	1	GEAF	
N=C(N)NCCCC[C@@H]1NCCc2c1n(O)c1cc(Br)ccc21	653887644	ZRUIDVXVEXXEOP-ZDUSSCGKSA-N	380.290	2.481	0	1	GEAF	biogenic
CC(=O)N(c1nc([C@H]2N[C@H](C(=O)O)Cc3cc(F)ccc32)cs1)C1CC1	962902749	LWQNCNMVZZWVND-HOCLYGCPSA-N	375.425	2.486	0	1	GEAF	
Cc1cc(-c2cn([C@@H]3CN[C@H](C(=O)N4CCC(F)(F)C4)C3)nn2)ccc1F	207125484	VQOTVGFGAZOCMI-ZFWWWQNUSA-N	379.386	2.163	0	1	GEAF	
CCNC(=O)c1ccc(C)c(N2C[C@H]3N=C(NC4CCCC4)S[C@H]3C2=O)c1	29041474	RSSZRZUNYKIVBY-NVXWUHKLSA-N	386.521	2.464	0	1	GEAF	
O=C1c2ccccc2CCCN1CCCCN1CCN(c2ncccn2)CC1	40916926	MWTBCJINTAEULL-UHFFFAOYSA-N	379.508	2.467	0	1	GEAF	
Cc1noc(/C=C/N(C)C)c1S(=O)(=O)N(C)Cc1ccc2c(c1)OCO2	49539902	RWZVXWUYNKZAIV-BQYQJAHWSA-N	379.438	2.065	0	1	GEAF	
COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C)CC31CN(C(=O)C2CCC2)C1	95796583	LCNVNGFFJPQQPW-GOSISDBHSA-N	383.492	2.046	0	1	GEAF	
C[C@H]1CN(Cc2ccco2)C[C@@H]1c1nn2c(C3CCOCC3)ncc2c(=O)[nH]1	142310154	STGSJKIOOHTCDY-BBRMVZONSA-N	383.452	2.140	0	1	GEAF	
CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2c(N)ncnc2[nH]1	586935704	GDHXCWRGRVZEIC-LLVKDONJSA-N	380.861	2.264	0	1	GEAF	
Oc1nc(O)c2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c2n1	587002960	ZHTSNEHKZBUILF-UPHRSURJSA-N	391.181	2.468	0	1	GEAF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cnc(O)n(C)c2=O)N1	587792234	HMMDDNUNDUVQSG-VPTHRUTESA-N	382.233	2.185	0	1	GEAF	
CC(=O)N1C[C@H](C)S[C@@H]2C[C@@H](S(=O)(=O)NCc3ccccc3)CC[C@H]21	914431253	XWNJYOGTDUJRND-VIBAHUMZSA-N	382.551	2.380	0	1	GEAF	
C[C@@]1(c2nonc2N)N[C@H](C(=O)O)Cc2ccc(Oc3ccc(O)cc3)cc21	962920399	FGXGIUQOVVOCSS-HNAYVOBHSA-N	382.376	2.012	0	1	GEAF	
COc1ccc(NC(=S)NCCCn2cncc2C)cc1OCCCN	1857638482	AEVBKHYZLRNEBV-UHFFFAOYSA-N	377.514	2.304	0	1	GEAF	
OC[C@H]1[C@H](Cc2ccnc(-c3ccccc3)n2)[C@@H](NCc2cccnc2)C[C@H]1O	2356522991	BSIFVSBEJPBKSW-MYGLTJDJSA-N	390.487	2.229	0	1	GEAF	
NC(=O)c1cccc(-c2ccnc3c2C[C@H](C(=O)NCCC(F)(F)F)O3)c1	61908923	DXVQNFYXFQOEQZ-CQSZACIVSA-N	379.338	2.220	0	3	GEAF	
COc1ccccc1[C@H]1CN2C(=O)CNC(=O)[C@@]2(C)c2[nH]c3ccccc3c21	2161439	RUNLNMGYYJHIRU-IVZQSRNASA-N	375.428	2.496	0	1	GEAF	biogenic
COC[C@@H]1CCCN1Cc1nc(C2(O)CCN(C(=O)NC(C)C)CC2)cs1	2356290669	YSEXXESQGOYXEU-HNNXBMFYSA-N	396.557	2.155	0	1	GEAF	
O=Cc1ccc(OCc2cn(CCCN3C(=O)C(=O)c4ccccc43)nn2)cc1	103265190	QYDGCXAIFRBZJA-UHFFFAOYSA-N	390.399	2.289	0	1	GEAF	
COc1ccc(/C=C/C(=C2C(=O)NC(=O)NC2=O)c2nc3ccccc3[nH]2)cc1	103183885	AVIFMYAGBXCEQY-DHZHZOJOSA-N	388.383	2.405	0	1	GEAF	
OC[C@@H](O)COc1cccc(CN2CCC[C@@H](Nc3ccc4[nH]ncc4c3)C2)c1	114335703	OXZZTYUKEITHSD-WOJBJXKFSA-N	396.491	2.371	0	1	GEAF	
CC[C@H]1[C@H](O)[C@H]2CN3CCc4c([nH]c5ccc(OC)cc45)[C@@](C(=O)OC)(C2)[C@@H]13	2356484439	UKYBFFVWOWRLGX-ZUZWYIIFSA-N	384.476	2.235	0	1	GEAF	
COc1ccc([C@H]2OC[C@@H]([C@@H](O)c3ccc(OC)c(O)c3)[C@H]2CO)cc1O	2356555284	PGWSIRRJBWWKAV-VPCNSNALSA-N	376.405	2.145	0	1	GEAF	
OC[C@@H]1[C@H](O)C[C@H](NC2CCCC2)[C@@H]1Cc1ccnc(COc2ccccc2)n1	2356616923	KZFZUSFAISIIQL-CLAROIROSA-N	397.519	2.488	0	1	GEAF	
Cc1c(C(=O)N2CC[C@@](C)(C(=O)NS(=O)(=O)C3CC3)C2)oc2ccccc12	61925599	MMNSDYIPCUNJDG-LJQANCHMSA-N	390.461	2.202	0	3	GEAF	
O=C1C=C[C@H](O)[C@H]([C@H](O)[C@@H](OC(=O)/C=C/c2ccccc2)c2ccccc2)O1	85508454	HCJURVKKVSCZRL-CNLJTQOLSA-N	380.396	2.188	0	1	GEAF	biogenic,in-vitro
O=C(N[C@@H](CC1CCCCC1)C(=O)N1CC[C@H]2OCC(=O)[C@H]21)c1ccccc1	96174256	ZDRBMNHVJWTCNG-DFQSSKMNSA-N	384.476	2.324	0	1	GEAF	
CC(=O)Oc1ccccc1C(=O)O[C@@]12[C@@H]3[C@H]4C[C@H]5[C@@H]6[C@@H]4[C@@H]1[C@@H]6[C@@]1(OCCCN12)[C@H]53	253652139	WHDRGMZULYIHPP-CQPIGCLNSA-N	393.439	2.285	0	1	GEAF	
CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2cc(N)ncc2[nH]1	586938033	UFMFQBTWKQFEJC-GFCCVEGCSA-N	377.495	2.313	0	1	GEAF	
COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CN1CCN(C)CC1	587863471	LCSXJPVKWRKGQL-UHFFFAOYSA-N	382.386	2.465	0	1	GEAF	
Cn1ccnc1[C@]1(C)c2scnc2C[C@@H](C(=O)O)N1C(=O)OC(C)(C)C	963134182	DBLOASRAHJVJLD-GTNSWQLSSA-N	378.454	2.387	0	1	GEAF	
Cc1ccnc2c1CCN[C@@H]2[C@@H]1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1	963069491	NAINMHSJJPQVGL-CRAIPNDOSA-N	388.512	2.340	0	1	GEAF	
Cc1cccc2c1O[P@@](=O)(COCCn1cnc3c(N)ncnc31)OC2	13677701	BVWDWGIOTQCKMK-AREMUKBSSA-N	375.325	2.493	0	1	GEAF	
Cn1cc(C(=O)N2CCC3(CC2)OCCO3)c2c3ccccc3n(C)c2c1=O	2465443	WNOGKGIPTLYHBB-UHFFFAOYSA-N	381.432	2.009	0	3	GEAF	
O=C(CO)C[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1	100636790	FZOGTUUDAZOUQX-HDICACEKSA-N	387.524	2.287	0	1	GEAF	
COCCNC(=O)[C@@H]1CCCN(C(=O)c2ccc(C(F)(F)F)nc2C)CC1	61902653	ISSDULGBHAJJCF-CYBMUJFWSA-N	387.402	2.414	0	3	GEAF	
CO[C@H](C)[C@@H]1[C@H]2C[C@H]3C4=Nc5ccccc5[C@@]45C[C@@H]([C@@H]2[C@H]5OC(C)=O)N3[C@H]1O	2356566849	XHABFDBTVXEZFH-GLPSIHSHSA-N	382.460	2.018	0	1	GEAF	
CC(C)N1CCN(C(=O)c2ccc3c(CN4CCOCC4)cn(C)c3c2)CC1	64504000	ZKTOKPGIVUSURB-UHFFFAOYSA-N	384.524	2.177	0	1	GEAF	
O=S1(=O)CC[C@H](Nc2n[nH]c3nc(Oc4ccc(F)cc4F)ncc23)C1	71334974	ZQRQQGXMLHABMC-VIFPVBQESA-N	381.364	2.022	0	1	GEAF	
CN(C)CCCn1cc(NC(=O)c2ccc3cc4n(c3c2)CCCNC4=O)cn1	218308518	CTUHSYQUJQJKLH-UHFFFAOYSA-N	394.479	2.175	0	1	GEAF	
O=S(=O)(NCCO)c1ccc(Nc2nccc(-c3ccsc3)n2)cc1	49036902	MOVHRTSSQBZCDC-UHFFFAOYSA-N	376.463	2.219	0	1	GEAF	
C[C@@H]1CNCCN1c1ccc(=O)n(CCOc2ccccc2C(F)(F)F)n1	45255176	RUBIIBKQQMGNHO-CYBMUJFWSA-N	382.386	2.139	0	1	GEAF	
Cc1nc2cccnc2n2c(-c3cc(O[C@H]4COC[C@H]4O)ccc3Cl)nnc12	145733557	GBEHIERNTCEIGH-CVEARBPZSA-N	397.822	2.440	0	1	GEAF	
O=[n+]1[nH]c2c(I)cnn2c2cc(C(F)(F)F)ccc21	377827775	QUAHIIXQWMFDGB-UHFFFAOYSA-N	381.075	2.354	0	1	GEAF	
Nc1ncc(-c2cc(N3CC[C@@H](F)C3)nc(N3CCC3)n2)cc1OC(F)F	653667725	GKQUYHAAHGDOPU-LLVKDONJSA-N	380.374	2.481	0	1	GEAF	
CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)N(C(C)C)C[C@H]1C(=O)OCC	587474349	FJEJSHWDQFBTPL-BTYIYWSLSA-N	389.448	2.479	0	1	GEAF	
NC(=O)N1CCCc2cc(-c3cncc(CNC(=O)[C@H]4CC4(F)F)c3)cnc21	1772634161	QSOWEQLRRNYYDB-OAHLLOKOSA-N	387.390	2.246	0	1	GEAF	
COc1ccc2c(c1)[C@H](O)[C@H](N1CCN(c3cccc4c3OCCO4)CC1)C2	13471778	NGAGLDAKVNKYJX-CTNGQTDRSA-N	382.460	2.247	0	1	GEAF	
COCCCN1C(=O)C(=O)[C@@H](C(=O)c2ccc(OC)cc2C)[C@@H]1c1cccnc1	1832822	RMYVJGNGCVWDLO-MOPGFXCFSA-N	396.443	2.387	0	1	GEAF	
COc1cc([C@@H]2c3cc4c(cc3O[C@@H](NN)[C@@H]2C)OCO4)cc(OC)c1OC	105520972	HUJNELKPXBNWGW-OTAQOQATSA-N	388.420	2.391	0	1	GEAF	
CN(C)c1ccc([C@H]2C3=C(O)CCCC3=Nc3c2c(=O)n(C)c(=O)n3C)cc1	100703242	FCYZHDSBIVPIBB-INIZCTEOSA-N	380.448	2.364	0	1	GEAF	
Cc1noc(C)c1Cn1cc(N2C(=O)N[C@@H](COCc3ccccc3)C2=O)cn1	115732047	ZSOJFHYZFZLLAJ-SFHVURJKSA-N	395.419	2.178	0	1	GEAF	
CC(=O)O[C@@H]1C=CC(C)(C)[C@@H]2CC[C@]3(O)[C@H](O)C4=C(C)C(=O)O[C@@H]4C[C@@H]3[C@]21C	2356533590	LQBVAPXSEOYEIN-KQMIIMEJSA-N	390.476	2.284	0	1	GEAF	
CCc1nc2c(OCC(N)=O)cccn2c1N(C)C(=O)c1ccc(OC)cc1	61905181	IOORUDKRTGBWOP-UHFFFAOYSA-N	382.420	2.046	0	3	GEAF	
CC[C@@H]1CN(Cc2ccccc2)CCN1c1nc(-c2ccncn2)cc(=O)n1C	199951366	VNQQFTJWQATSOF-GOSISDBHSA-N	390.491	2.338	0	1	GEAF	
CC(=O)O[C@H]1[C@H](O)[C@](C)(O)[C@](C)(/C=C/C2=CC(=O)OC2)[C@H]2CCC=C(C)[C@@]21C	143815721	KEQCMXAVBMZXAI-CFRZMINFSA-N	390.476	2.452	0	1	GEAF	
N=C(N)N1CCC[C@H]1c1nc(-c2ccc(I)cc2)no1	148368999	ORPRSRWPGDSJTC-JTQLQIEISA-N	383.193	2.372	0	1	GEAF	
COCC(=O)NC[C@@H]1[C@@H](c2ccc(C3=CCCC3)cc2)[C@H](CO)N1C(=O)C1CC1	95895877	QFILKHAMRPHMJJ-RZUBCFFCSA-N	398.503	2.082	0	1	GEAF	
COC(=O)c1ccc2nc(CCN(CCC(=O)O)Cc3ccccc3)[nH]c2n1	587194057	YYOUAYDFXHQFIC-UHFFFAOYSA-N	382.420	2.264	0	1	GEAF	
COC(=O)C[C@@]1(C(OC)OC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	587598547	YAVDEJDNQLWCSY-OXQOHEQNSA-N	388.372	2.275	0	1	GEAF	
O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@](c2ccccn2)([C@@H]2CCNC2)N1	962968537	OROYORBNBYTDJM-MPSXMAJESA-N	393.821	2.465	0	1	GEAF	
CCn1ncc2cc3nc(c21)C[C@@H](O)COC[C@H](c1ccccc1)NC(=O)N3	1772616382	UTWGDHYJGPNNID-NVXWUHKLSA-N	381.436	2.248	0	1	GEAF	
COC(=O)c1ccc2c(c1)O[C@@H](COc1ccc(F)c(C(N)=O)c1F)CO2	1772625648	CTYGQQDNUSRRMA-SNVBAGLBSA-N	379.315	2.069	0	1	GEAF	
CCN(CC)C(=O)C[C@@H]1c2nc(N)sc2C[C@H]2[C@@]1(C)CC[C@@H](O)[C@@]2(C)CO	8253578	KKVNWAJFXNUXBP-JCGMFVPESA-N	395.569	2.399	0	1	GEAF	biogenic
CCOC(=O)C1=C(C)NC(=S)N(C(C)=O)[C@H]1c1cccc(OC(C)=O)c1	101138341	OMQWSIPEJWZALV-INIZCTEOSA-N	376.434	2.227	0	1	GEAF	
CS(=O)(=O)c1ccc2nc(NC(=O)[C@H]3[C@@H]4C=C[C@H](C4)[C@@H]3C(=O)O)sc2c1	101999706	VCXQHHJYPXWYIK-ZHMYYEFOSA-N	392.458	2.161	0	1	GEAF	
C[C@H]1C[C@@H](O)[C@]2(O)[C@@]13CC(=O)O[C@@H](C3)[C@H](C)[C@]2(C)COC(=O)c1ccccc1	238743185	AGQLDIHTHSYJSO-XZBMPZHKSA-N	388.460	2.323	0	1	GEAF	
Cc1cc(S(N)(=O)=O)ccc1OCc1nc2cc3c(cc2[nH]1)OCCCO3	586929299	AQJDWGVWUFPPSH-UHFFFAOYSA-N	389.433	2.259	0	1	GEAF	
CN(C)S(=O)(=O)c1ccc(-c2nc3cc(F)c(-n4cccn4)cc3[nH]2)o1	586931374	SBTGHWGYJWWKTH-UHFFFAOYSA-N	375.385	2.398	0	1	GEAF	
COC(=O)c1cc2nc([C@@H](CCN(C)C)NC(=O)OC(C)(C)C)[nH]c2cn1	587193674	DIEQVFUFBKMNMO-LLVKDONJSA-N	377.445	2.262	0	1	GEAF	
COc1cc2c3c(c1)O[C@H](c1c(Cl)ncnc1N1CCOCC1)[C@@H](C2)C3=O	587420599	LFQSXCMJXRQYPE-SJCJKPOMSA-N	387.823	2.464	0	1	GEAF	
CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)n1ncc2ccc(Cl)cc2c1=O	587652932	OYBYVXNEPUZIHQ-KRWDZBQOSA-N	385.807	2.143	0	1	GEAF	
COCCN1C(=O)[C@H]2C[C@@H](CN2C(=O)NCc2ccccc2)Oc2ccccc21	2356290837	CJKUXZILUXLACI-PKOBYXMFSA-N	395.459	2.411	0	1	GEAF	
CO[C@@H]1c2c([nH]c3ccccc23)[C@H](C=C(C)C)N2C(=O)[C@@H]3CCCN3C(=O)[C@]12O	2356852815	QTOVUUPWQCFFQD-MMQADKFZSA-N	395.459	2.398	0	1	GEAF	
Cc1ncsc1C(=O)N1CCC[C@H](CNS(=O)(=O)c2cccs2)C1	12386973	SLMWKTVDOFCKEO-GFCCVEGCSA-N	385.536	2.344	0	3	GEAF	
Cn1c(=O)c2c(SCc3ccccn3)nc(CC(C)(C)C)nc2n(C)c1=O	7347156	RFGLZFMBWWKYGX-UHFFFAOYSA-N	385.493	2.303	0	3	GEAF	
C[C@@H]1O[C@@H](OCCCCC(=O)O)[C@H](O)C[C@H]1OC(=O)c1c[nH]c2ccccc12	219953955	PTAMECMDMIIEJC-XZVYQEECSA-N	391.420	2.461	0	1	GEAF	in-vitro
[O-][n+]1nc2c(I)cnn2c2cc(-c3ccc[nH]3)ccc21	71296119	MBCAJCNPMZBNFL-UHFFFAOYSA-N	377.145	2.116	0	1	GEAF	
C/C=C/c1ccc([C@@H]2[C@@H](CO)N(C(=O)Cc3cccnc3)[C@H]2CNC(C)=O)cc1	95571298	NGLDGHULOYFZMR-ZVACXPLFSA-N	393.487	2.149	0	1	GEAF	
CCCNC(=O)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2CC1CCOCC1	95793936	QMUJEDHAYZDYPI-WOJBJXKFSA-N	387.524	2.047	0	1	GEAF	
CNC(=O)c1cnc(NC(=O)NC2CCCCC2)n2nc(-c3ccco3)nc12	299832486	GXEZYCDFZVJREN-UHFFFAOYSA-N	383.412	2.198	0	1	GEAF	
COC(=O)c1ccnc2[nH]c(CCS(=O)(=O)c3ccc4c(c3)CCC4)nc12	586923131	YZMKUMDNPFLYIQ-UHFFFAOYSA-N	385.445	2.250	0	1	GEAF	
CNS(=O)(=O)c1ccc(CCc2nc3cc(Br)cnc3[nH]2)cc1	586946031	FXCHNQIPXOZWBH-UHFFFAOYSA-N	395.282	2.414	0	1	GEAF	
O=C(Nc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1)Nc1nncs1	13131271	VCYGYGXZDLJGCA-DHPDLVEQSA-N	381.417	2.494	0	1	GEAF	
COC(=O)c1[nH]c2ccc(CCN3C(=O)CNC3=O)cc2c1-c1ccncc1	13605930	LKYBCWQIQCQELS-UHFFFAOYSA-N	378.388	2.111	0	1	GEAF	
COc1ccc(CC2=NO[C@@H](CNC(=O)[C@H]3COc4ccccc4O3)C2)cc1	14882111	UNMRSSZPCCCUPE-YLJYHZDGSA-N	382.416	2.339	0	1	GEAF	
COc1ccc2c(C(=O)N[C@H](CC(=O)O)C(=O)O)cccc2c1Br	28382130	AFEMNOBCNGDBOB-LLVKDONJSA-N	396.193	2.269	0	1	GEAF	
O=C(O)/C=C/C=C/C=C/[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)COc1ccccc1	28476768	YFCWDLPFGIWSIR-PCXSKMRESA-N	386.444	2.094	0	1	GEAF	
O=C(NC1CCCC1)[C@H]1[C@H]2c3cccc(=O)n3C[C@@H]([C@@H]1CO)N2CC1CCCC1	95879140	GJIKUUHOFPGRFJ-HVJHZFLKSA-N	399.535	2.061	0	1	GEAF	
Cn1cc(-c2ccc3ncc4c(c3n2)n([C@H]2CC[C@H](O)CC2)c(=O)n4C)cn1	118707516	ZDEXVDRHVRCKFR-OKILXGFUSA-N	378.436	2.160	0	1	GEAF	
C[C@@H]1CN(Cc2ccco2)C[C@@H]1c1nn2c(C3CCOCC3)ncc2c(=O)[nH]1	142309957	STGSJKIOOHTCDY-CJNGLKHVSA-N	383.452	2.140	0	1	GEAF	
CN(C)CCn1c(=O)sc2cc(S(=O)(=O)Nc3ccccc3)ccc21	299865363	NNQRUFMKMCOVSG-UHFFFAOYSA-N	377.491	2.425	0	1	GEAF	
Cn1cncc1CNC(=O)c1csc(CCNCc2nc3ccccc3[nH]2)n1	1857540405	XNPVDCOHONBENW-UHFFFAOYSA-N	395.492	2.015	0	1	GEAF	
CC(C)[C@H](C(N)=O)N1CC[C@H]2CN(C(=O)Nc3ccccc3)CC[C@H]2CC1=O	2356315888	WGBCBOGCMRMVRV-TXPKVOOTSA-N	386.496	2.289	0	1	GEAF	
COc1cccc(-n2c(=O)c3sccc3n(CC(=O)NC3CCCC3)c2=O)c1	4882098	ZPDUIUYHJHYESF-UHFFFAOYSA-N	399.472	2.281	0	3	GEAF	
COc1ccc2c(c1)[C@@]1(N=c3ccccc3=C3Nc4ccccc4N31)C(=O)N2C	100564651	KUGSXRZZJLNXNN-QHCPKHFHSA-N	382.423	2.156	0	3	GEAF	
CO[C@@H]1C[C@](C)(NC(=O)C(F)(F)F)[C@@H]2O[C@@H](c3ccccc3)OC[C@H]2O1	105526731	JSDNZWQQFHOALK-AQRJEWBLSA-N	375.343	2.299	0	1	GEAF	
CC1CCN(C[C@H]2CN3CC[C@H]2C[C@H]3CNS(=O)(=O)c2cccs2)CC1	2356645638	YDURHWHKIOPUKK-BZSNNMDCSA-N	397.610	2.469	0	1	GEAF	
Cc1cc(C)n2nc(CCc3nc(N4CCCC4)nn3CC(F)(F)F)nc2n1	210640597	YRKKSQGTYKJALL-UHFFFAOYSA-N	394.405	2.280	0	1	GEAF	
O=c1cc(N2CCOCC2)[nH]c(Cc2nc3c(-c4ccccn4)cccc3o2)n1	84758669	LOTXVNFTEONOCW-UHFFFAOYSA-N	389.415	2.401	0	1	GEAF	
O=S(=O)(c1ccccc1)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2CC1CC1	95869392	GHWIDDQEEQSIPI-NHCUHLMSSA-N	398.528	2.300	0	1	GEAF	
O=C(Nc1ccc(F)cc1)N[C@H]1CC[C@H](CC(=O)N2CCCCC2)O[C@H]1CO	95906016	KCKILWFDBJPGIO-SQNIBIBYSA-N	393.459	2.258	0	1	GEAF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)C2(O)O	587820846	FXIJHQDUMKRFCB-XLFHBGCDSA-N	392.224	2.243	0	1	GEAF	
COc1cc2c3c(c1)O[C@]1([C@@H](C2)C3=O)[C@@H]2[C@H]3C[C@H]4[C@@H]5[C@@H]3[C@@H]1[C@@H]5C1(OCCO1)[C@H]42	587452967	MSKMBHIRHOQZKV-NVONGRMMSA-N	378.424	2.312	0	1	GEAF	
COc1cc2c3c(c1)O[C@H]([C@@H](c1nc4ccccc4[nH]1)S(C)(=O)=O)[C@@H](C2)C3=O	587447759	FMHHOSCQOCEALB-NXXSPTCGSA-N	398.440	2.473	0	1	GEAF	
COc1cc(N2CCN[C@H](C)C2)ccc1C(=O)Nc1cn2cc(C)nc2cn1	1772657692	AVDARZNYXWSMBW-CYBMUJFWSA-N	380.452	2.097	0	1	GEAF	
COC[C@@H]1O[C@@H](N2C(=O)N=C(O)[C@@H]3C=C4CCCCC4=C[C@@H]32)[C@@H](OC)[C@@H]1OC	5922722	NCOAINMYTSTAHN-IYUJOENBSA-N	392.452	2.205	0	1	GEAF	
COC(=O)C[C@H]1c2ccccc2C2=C(C[C@@H](C)[C@H]3C(=O)NC(=O)[C@@H]23)N1C(=O)OC	13817897	RAFBMWUBBBFBEX-LPQJZBQISA-N	398.415	2.013	0	1	GEAF	
CN(C[C@H]1COCCO1)C(=O)c1cc(COc2ccc3ncccc3c2)on1	15061908	WNBVLAGPHUFAHV-KRWDZBQOSA-N	383.404	2.289	0	1	GEAF	
CNC(=O)c1cnc(NC(=O)C(C)C)cc1Nc1ccccc1S(C)(=O)=O	1857586953	RMTBJPFWMNMRMZ-UHFFFAOYSA-N	390.465	2.183	0	1	GEAF	
CNS(=O)(=O)Nc1nnc2cc(OCC3CCCCC3)c(C3CC3)cn12	1857770715	JMBQNOWACUWFKX-UHFFFAOYSA-N	379.486	2.442	0	1	GEAF	
COCCCN(Cc1ccco1)C(=O)Cn1[nH]cc2c3ccccc3nc-2c1=O	103711187	BHGFYUHBCVEXHS-UHFFFAOYSA-N	394.431	2.488	0	3	GEAF	
CCn1c(=O)c2c(nc(/C=C/c3ccc(OC)cc3OC)n2C)n(CC)c1=O	26393353	ATDDLHWKZVKABJ-PKNBQFBNSA-N	384.436	2.124	0	1	GEAF	
Cc1cc(O)cc(C)c1[C@@H](C)[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)O	26829563	FCXFTRJOTXZTEP-WNYOCNMUSA-N	382.460	2.478	0	1	GEAF	
CC(C)(O)[C@@H]1Oc2c(O)cc([C@H]3CC(=O)c4c(O)cc(O)cc4O3)cc2[C@@H]1O	2356622036	ZKWKPRFUKLOWLB-DKSSEZFCSA-N	388.372	2.075	0	1	GEAF	
CC(C)S(=O)(=O)N1CC[C@H](CC(=O)O)[C@H](Cc2nc3ccccc3[nH]2)C1	2356657320	BCBPDAWUNJLLID-ZIAGYGMSSA-N	379.482	2.256	0	1	GEAF	
CN1CCOc2cccc3nc(O)c(nc23)-c2cccc3c(O)n(nc23)CC1	36188418	VHQSTBKAAYHLRM-UHFFFAOYSA-N	377.404	2.382	0	1	GEAF	
COC[C@H]1CCCN1C1=C(C(=O)OC)[C@@]2(C(=O)OC)Sc3ccccc3[C@H]12	40565893	UNAMQNCWXYHUFL-URFZZILJSA-N	389.473	2.339	0	1	GEAF	
COc1cccc(CNc2nc(N3CC[C@H](NC(C)=O)C3)ncc2C)c1OC	82212952	FVFSXSMOYOOMQC-INIZCTEOSA-N	385.468	2.129	0	1	GEAF	
Cc1ccc(S(=O)(=O)c2c[nH]cc2S(=O)(=O)Cc2n[nH]c(=S)o2)cc1	43069285	BZLAFNGQEQUGOJ-UHFFFAOYSA-N	399.475	2.175	0	1	GEAF	
CCN(C[C@H]1N[C@@H](CO)[C@@H]1c1ccc(-c2ccc(F)cc2)cc1)C(=O)COC	95895736	JTUOZIKDJHIQCB-RZUBCFFCSA-N	386.467	2.404	0	1	GEAF	
CCCCO[C@@H]1C[C@H](C(=O)N[C@@H](CO)CC(C)C)N(C(=O)c2ccco2)C1	299888122	ZXIGQFVDVIECRX-BRWVUGGUSA-N	380.485	2.203	0	1	GEAF	
Cc1nn(C)c(C)c1[C@@]1(C(N)=O)N[C@@H](C)Cc2cc(Br)c(F)cc21	587754478	DOWWRTGPHPAHPD-QPFGOUBPSA-N	395.276	2.202	0	1	GEAF	
O=S1(=O)CCCN1C[C@@H](O)Cn1c2cc(F)ccc2c2c(F)cccc21	148551991	HLSASWBSLUMYQF-CYBMUJFWSA-N	380.416	2.469	0	1	GEAF	
COCCN(C)c1nc(NC2CCN(C)CC2)c2cc(OC)c(OC)cc2n1	1772618519	JPACVVQGZVASKX-UHFFFAOYSA-N	389.500	2.236	0	1	GEAF	
CC(=O)Oc1ccc2c(c1)CC[C@H]1[C@@H]3CCC(=O)[C@@]3(C)C[C@H](O[N+](=O)[O-])[C@]21O	5166860	PIFWUSBKSLUDOU-LPBINRMYSA-N	389.404	2.328	0	1	GEAF	
CN[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)O	13765451	IJJCVNWFPAZCQT-PMACEKPBSA-N	382.460	2.178	0	1	GEAF	
Cc1c(C(=O)N2CCCC[C@H]2C(F)(F)F)cnn1-c1nc(=O)c2cccn2[nH]1	1857580204	AEGUZQKHIMAWAC-ZDUSSCGKSA-N	394.357	2.074	0	1	GEAF	
O=C(Nc1cccc2c1C(=O)NS2(=O)=O)c1cccc(Br)c1	1857597066	PNOMDVOEIIHCFK-UHFFFAOYSA-N	381.207	2.134	0	1	GEAF	
O=c1[nH]c2nc(-c3cnn(Cc4ccccc4)c3)[nH]c2c(=O)n1Cc1ccccc1	101129912	VLTGPFGXMKPFJA-UHFFFAOYSA-N	398.426	2.373	0	1	GEAF	
COC(=O)[C@@H]1C[C@@]23C4=C(CC[C@@H]41)CC[C@H]1CN4C[C@@H](C)[C@@H](CC[C@@]12CO)[C@]43O	2356460722	GZPYJGXSOJGYKK-MCPSGMFSSA-N	387.520	2.325	0	1	GEAF	
CN(C)CCc1cc2c(cc1C(=O)[C@H]1O[C@@H](O)c3c1ccc1c3OCO1)OCO2	2356474964	KZBMUCKOVJMMQM-PZJWPPBQSA-N	399.399	2.193	0	1	GEAF	
CC(=O)O[C@@H]1CCC(C)(C)[C@]2(O)C[C@H](O)[C@@H]3[C@H](C)C4=CC(=O)OC4=C[C@H]3[C@@]12C	2356477480	XQDLWVYAAGRVLS-ALMYYHAKSA-N	390.476	2.489	0	1	GEAF	
O=C(NN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2[C@H]2C[C@H]21)c1cccc(Br)c1	195400573	IYWDNVOMIGEONH-SOAFEQHCSA-N	387.233	2.147	0	1	GEAF	
COc1ccc2c3c([nH]c2c1)[C@H](CO)NCC31CN(C(=O)c2ccccc2)C1	95662416	AXBNFAPAULOJKB-SFHVURJKSA-N	377.444	2.207	0	1	GEAF	
COC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@@H]1N2CC1CC1	95881271	WYIDKFIWLJUXSM-PBASOCQRSA-N	398.503	2.352	0	1	GEAF	
CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)Cn1cnc(N)n1	587865726	GXONNXNYICDBRB-UHFFFAOYSA-N	380.330	2.482	0	1	GEAF	
CCCc1c(O)ccc2c1O[C@]1(CCS(=O)(=O)C[C@H]1C(=O)OCC)CC2=O	587495020	ZMUBMAJODPARSZ-IFXJQAMLSA-N	396.461	2.047	0	1	GEAF	
COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2cc(OC)c(C(=O)OC)cc2[nH]1	587231826	RGLSECXHSUYPSG-QWHCGFSZSA-N	389.452	2.395	0	1	GEAF	
COC(=O)c1cc(-c2ccc(F)cc2)n(-c2ccc(S(N)(=O)=O)cc2)n1	13761845	PKWCCVDFVVBIGU-UHFFFAOYSA-N	375.381	2.112	0	1	GEAF	
C[C@H]1C[C@H](Nc2ncccc2-c2cnc3[nH]ccc3n2)CN(S(C)(=O)=O)C1	168805994	BSFUWLNZPOVRBF-STQMWFEESA-N	386.481	2.102	0	1	GEAF	
C[C@@H]1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1nc2ccccc2n1C	1857544173	UUXCTEWUCBSPIF-OAHLLOKOSA-N	390.443	2.129	0	1	GEAF	
O=C(CN(C(=O)[C@H]1COc2ccccc2O1)c1ccccc1)NC[C@@H]1CCCO1	898134	SBIIPUXMIXCTEY-FXAWDEMLSA-N	396.443	2.155	0	3	GEAF	
CCOc1ccccc1C1=NO[C@@H](c2ccccc2OC)[C@H]1C(=O)NCCO	4152618	RITMDUZHGVEGCL-ICSRJNTNSA-N	384.432	2.294	0	1	GEAF	
CCCCNC(=O)[C@@H]1C[C@H](OCc2ccccc2)CN1C(=O)c1cnccn1	4533587	ULULASVPKPBVJK-HKUYNNGSSA-N	382.464	2.193	0	1	GEAF	
OC[C@@H]1[C@H](O)C[C@@H](NCc2ccccn2)[C@@H]1Cc1ccnc(-c2ccccc2)n1	2356491167	DYFZRJVDQAVGKL-CIAFKFPVSA-N	390.487	2.229	0	1	GEAF	
COc1ccc(C2(c3ccc(OC)cc3)NC(=N)N(C3CCOCC3)C2=O)cc1	103243748	JQYYZEGXJPYRRZ-UHFFFAOYSA-N	395.459	2.493	0	1	GEAF	
CS(=O)(=O)N1[C@H]2CN(CC3CC3)C[C@H]1C2c1ccc(Br)cc1	100083241	KCHOPNGZKYIOHM-GJZGRUSLSA-N	385.327	2.271	0	1	GEAF	
COC(=O)[C@]12C[C@H]3C[C@H]4[C@H](C)OCN(CCc5c1n(c1ccccc51)[C@@H]3O)[C@@H]42	28380087	KPVGQFUAGCUQTN-FROMAVIGSA-N	382.460	2.186	0	1	GEAF	
N=C(NCCCc1c[nH]cn1)NCc1ccc(I)cc1	26733595	ZDWBAVJCYLOFNL-UHFFFAOYSA-N	383.237	2.261	0	1	GEAF	
CN(C(=O)CCCOc1ccc2c(c1)CN1C(=O)C(=O)NC1=N2)C1CCCCC1	26938324	VXAAYZZMAZZNIJ-UHFFFAOYSA-N	398.463	2.096	0	1	GEAF	
COc1ccc2c(c1)[C@@]13C[C@H]4[C@H]([C@H]5C[C@@H](C1=N2)N4[C@H](C)[C@H]5CO)[C@@H]3OC(C)=O	2356852645	QRTSGQHCBPBPBT-IPTYQGIFSA-N	382.460	2.054	0	1	GEAF	
CCS[C@]12O[C@@]3(CCCCCN3C1=O)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12	31904782	KEAQETBYJBOAGZ-IPZZXCBHSA-N	386.473	2.384	0	1	GEAF	
COC(=O)C1=C2Nc3cc(OC)ccc3[C@@]23CCN2CC[C@@H]4OCC[C@]4(C1)[C@H]23	86053108	ZSJZFYYHVUIWBI-MVWVFHAYSA-N	382.460	2.443	0	1	GEAF	
CCCNC(=O)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2C(=O)C1CCCC1	95798462	RMSYVZAQOTVHGF-RBUKOAKNSA-N	385.508	2.338	0	1	GEAF	
CC(C)(C)NC(=O)c1c[nH]c2ncc(Nc3ccc(S(C)(=O)=O)nc3)nc12	145086636	YVQCRCRRJDSFBX-UHFFFAOYSA-N	388.453	2.028	0	1	GEAF	
CC[C@@H](C)NC(=O)c1cnc(N2CCC[C@@H](C(N)=O)C2)nc1-c1ccccc1	299873772	AHQMAYZQGXMKMS-GDBMZVCRSA-N	381.480	2.374	0	1	GEAF	
C[C@]1(c2ccccc2)CC(=O)N(CC(=O)N2CCN(c3ccccc3)CC2)C1=O	473090748	XISATPMZJCRIPX-HSZRJFAPSA-N	391.471	2.052	0	1	GEAF	
CCOC(=O)[C@@H]1CNCC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1	587594001	JUSAZOUPCCOXIF-OXTHUFEASA-N	383.400	2.265	0	1	GEAF	
COC(=O)CC[C@]1(C(=O)OC)N[C@H](C)Cc2cc(Br)c(F)cc21	587805162	GZQBJIGFXNNRGP-ABKXIKBNSA-N	388.233	2.444	0	1	GEAF	
Cc1c(O)ccc2c1[C@@](C)(CCN1C(=O)c3ccccc3C1=O)N[C@H](C(=O)O)C2	963548544	GWDSMXKUPVPJAF-KSFYIVLOSA-N	394.427	2.201	0	1	GEAF	
COCCN1C(=O)c2cc(-c3nc(Nc4ccnn4C)ncc3C)[nH]c2C[C@@H]1C	1772624078	PNXHDOWDWLRBSB-ZDUSSCGKSA-N	395.467	2.290	0	1	GEAF	
C[C@H](C(=O)Nc1n[nH]c(=N[C@@H]2CCN(c3cccnn3)C2)s1)c1ccccc1	1857612235	CSNOMEYXRFRNOF-DZGCQCFKSA-N	395.492	2.183	0	1	GEAF	
Cc1cn2c(-c3cn[nH]c3)cnc2c(=Nc2cc(Cn3cccn3)ns2)[nH]1	1857757978	ABVDDASVOMPADO-UHFFFAOYSA-N	377.437	2.295	0	1	GEAF	
CC(C)CCNC(=O)Cc1ccc(NC2=N[C@H]3CS(=O)(=O)C[C@@H]3S2)cc1	6739140	ZXTBSVZVHUKMEJ-HOTGVXAUSA-N	395.550	2.072	0	1	GEAF	
Cc1nc2ccn(Cc3cccnc3)c(=O)c2cc1C(=O)NC[C@H]1CCCO1	6915323	RGOSFEJORGUWDT-MRXNPFEDSA-N	378.432	2.057	0	1	GEAF	
O=C(NC1[C@@H]2CC3C[C@@H]1CC(O)(C3)C2)c1sc(OCCO)nc1C1CC1	103246889	NJXRHIKVLFLBME-BFEISVDUSA-N	378.494	2.061	0	1	GEAF	
Cc1ccccc1-n1c(=O)cc(N2CCN(Cc3ccccc3)CC2)[nH]c1=O	58062240	STEJAUDALALGML-UHFFFAOYSA-N	376.460	2.156	0	3	GEAF	
COc1cc(NC(C)=O)ccc1C(=O)NC[C@H]1CN(Cc2ccccc2)CCO1	29213414	NXTDCJANBBONOY-IBGZPJMESA-N	397.475	2.284	0	1	GEAF	
CC1(C)Oc2ccc(CC3=C(c4ccc(O)cc4)C(=O)NC3=O)cc2C[C@H]1O	2356873623	YHHDGTNLHGFAIJ-GOSISDBHSA-N	379.412	2.119	0	1	GEAF	
COC(=O)c1ccccc1OC[C@H](O)CNCCc1ccc(OC)c(OC)c1	39377352	WJQYLQJHTIDOJN-MRXNPFEDSA-N	389.448	2.062	0	1	GEAF	
Cc1cccc(CN2CCN([C@@H]3CN(C4CCCC4)S(=O)(=O)C3)CC2)c1	72104227	MXVKJVOYGJEBRO-HXUWFJFHSA-N	377.554	2.069	0	3	GEAF	
OC[C@H]1O[C@H](n2c(Br)cc3cc(Cl)c(Cl)cc32)[C@H](O)[C@@H]1O	49021570	TYTULTUOEJHWLH-JHEVNIALSA-N	397.052	2.322	0	1	GEAF	
O=C(c1csc(-c2ccccc2)n1)N1CCC[C@H](C(=O)N2CCCNCC2)C1	82069440	RPERUEGIDQJJFU-KRWDZBQOSA-N	398.532	2.484	0	1	GEAF	
CC(=O)NC[C@H]1[C@@H](c2ccc(-c3cccnc3)cc2)[C@@H](CO)N1C(=O)C1CCC1	95894912	ABMCTRXCSJHXAW-BHDDXSALSA-N	393.487	2.340	0	1	GEAF	
CC(C)(O)Cn1ncnc1-c1cc2c(s1)-c1ccc(C(N)=O)cc1OCC2	95585095	LAXUUDAEPBMNGI-UHFFFAOYSA-N	384.461	2.478	0	1	GEAF	
O=C(O)c1ccnc(-c2cn([C@H]3CCN(C(=O)Cc4ccccc4)C3)nn2)c1	473136651	UDLIRBRLDRLGEC-INIZCTEOSA-N	377.404	2.054	0	1	GEAF	
O=S(=O)(c1ccc2nc(-c3ccc(Cl)nc3F)[nH]c2c1)N1CCOCC1	587178265	YEEHMNQCEPVWJH-UHFFFAOYSA-N	396.831	2.438	0	1	GEAF	
CNC(=O)[C@H](C)Oc1ccccc1[C@H]1NCCc2ccc(C(=O)N(C)C)cc21	962932502	QIMHIUHCGKAPCX-VBKZILBWSA-N	381.476	2.137	0	1	GEAF	
CC[C@@H](N[C@@H](C)CC(N)=O)c1ccc(Cl)c(C(=O)c2cnc(N)cn2)c1F	1772636227	BVJSGIHHUYXHLG-JOYOIKCWSA-N	393.850	2.387	0	1	GEAF	
C[C@H]1C[C@H]2CSC(=N)N[C@@]2(c2nc(NC(=O)c3ccn(C)n3)cs2)CO1	1772608630	ODHPORBDAZCOFR-PUTJDCORSA-N	392.510	2.020	0	1	GEAF	
O=C(NC1CCNCC1)c1c[nH]nc1NC(=O)c1c(Cl)cccc1Cl	1772651154	VKQRQRVHRJQAAP-UHFFFAOYSA-N	382.251	2.451	0	1	GEAF	
COc1ccc2c(c1OC)CCN1C[C@H]3CCCN(S(C)(=O)=O)[C@H]3C[C@@H]21	13820249	RZFDMNCHUOOLHD-COXVUDFISA-N	380.510	2.047	0	1	GEAF	
O=C1C[C@@](O)(C(F)(F)F)c2c(n[nH]c2C2CCN(c3ccc(F)cn3)CC2)N1	1857615001	GVQQKNXHVNOAMN-INIZCTEOSA-N	399.348	2.420	0	1	GEAF	
CCOc1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCO)cc1	4039769	XFBHBBSZHPRHAZ-PZJWPPBQSA-N	397.475	2.352	0	1	GEAF	
O=C(NC[C@@H]1CCCO1)C1=CNN2C1=N[C@@H](c1ccccc1)C[C@@H]2C(F)(F)F	104013226	ATPTZKBZAUXFEA-NUEKZKHPSA-N	394.397	2.460	0	3	GEAF	
CCCS(=O)(=O)NC(=O)[C@@]1(C)CCCN(C(=O)c2cc(F)ccc2C)C1	61928581	WTVVCQNNOKZMIP-SFHVURJKSA-N	384.473	2.232	0	3	GEAF	
N#CCC1(n2cc(C(N)=O)c(Nc3ccccc3)n2)CCN(C(=O)C2CC2)CC1	218410402	BIQXLGODWSBXKP-UHFFFAOYSA-N	392.463	2.367	0	1	GEAF	
Nc1ncc(-c2ccc(C3(c4noc(-c5cc[nH]c(=O)c5)n4)CCC3)cn2)cn1	96175496	LVXCREHGCJJKML-UHFFFAOYSA-N	387.403	2.329	0	1	GEAF	
C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43CO)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1	31483303	DUSRIIPEQBGMHU-ZXIOEMQNSA-N	388.504	2.497	0	1	GEAF	biogenic
CCn1nc(C)cc1-c1nnc(Cc2ncc([N+](=O)[O-])s2)n1CCCOC	24826963	RNGGACWFRHCMAU-UHFFFAOYSA-N	391.457	2.462	0	1	GEAF	
CNC(=O)c1cccc(Nc2ncnc(N3CC(Oc4ccc(F)cc4)C3)n2)c1	1772576102	ZJWWWWTUMANCGS-UHFFFAOYSA-N	394.410	2.382	0	1	GEAF	
Cc1nc2ccc(S(=O)(=O)N(C)CC(=O)Nc3nccs3)cc2s1	5141824	CNNOGYDVNJAQLJ-UHFFFAOYSA-N	382.492	2.320	0	1	GEAF	
Cn1cc(CN2CCC[C@@H](CNS(=O)(=O)c3cccc4cccnc34)C2)cn1	12210123	ICTSOZZGRWKDKB-INIZCTEOSA-N	399.520	2.159	0	3	GEAF	
NS(=O)(=O)c1ccc(N/C=C2\C(=O)Nc3ccc(-c4cnco4)cc32)cc1	12355043	ZFHAOTRAAVCTPZ-NVNXTCNLSA-N	382.401	2.394	0	1	GEAF	
COc1ccccc1-c1ccc(C[C@H](NC(=O)[C@@H]2CSCN2)C(=O)O)cc1	13436425	CYOGWAISTADLSV-IRXDYDNUSA-N	386.473	2.137	0	1	GEAF	
O=c1nc(Nc2ccccc2)[nH]c2c1ncn2CCCCN1CCC(O)CC1	13644928	YYSHQMGCZBTZSN-UHFFFAOYSA-N	382.468	2.100	0	1	GEAF	
NC(=S)Nc1nc(=S)[nH]c2c1SC1=N/C(=C\c3ccco3)C(=O)N12	1649793	PRAZRRGVDNCIKQ-XQRVVYSFSA-N	376.448	2.237	0	1	GEAF	
Cc1ccc([C@H]2NCCn3c(-c4ccccc4)c4c(=O)n(C)c(=O)n(C)c4c32)o1	209525793	AAAHTJUBISKQEG-QGZVFWFLSA-N	390.443	2.300	0	1	GEAF	
Cn1nc(-c2cnc(N)c(OC(F)(F)F)c2)cc1[C@@H]1[C@H]2CN(C3COC3)C[C@H]21	1857751764	RQVXKARCSXAEIT-ATCWAGBWSA-N	395.385	2.007	0	1	GEAF	
OC[C@@H]1[C@H](O)C[C@H](NC2CCC2)[C@@H]1Cc1ccnc(COc2ccccc2)n1	2356289463	WDOQPBBIVMYLNX-IVAOSVALSA-N	383.492	2.098	0	1	GEAF	
COC(=O)c1ccc2nc(CO[C@H]3CN(C4CCOCC4)C[C@@H]3F)[nH]c2c1	2356299986	RLGFPTXYVLLMPB-YOEHRIQHSA-N	377.416	2.067	0	1	GEAF	
O=C(COC(=O)C12C[C@@H]3C[C@H](CC(Br)(C3)C1)C2)N1CCOCC1	101640557	FECMEJDSPBLHBW-SCQRFTTHSA-N	386.286	2.122	0	1	GEAF	
CN[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)Nc1cccc2ccccc12)C(C)C	64460040	JSZPIOJRNMIRQD-DOXZYTNZSA-N	398.507	2.032	0	1	GEAF	
CC(C)(C)c1nc2cc(S(=O)(=O)CCN)ccc2n1CC1CCOCC1	29046437	VFOBLBYMCNHUBG-UHFFFAOYSA-N	379.526	2.493	0	1	GEAF	
CC(=O)Nc1ccc(NC(=O)[C@H]2CNC(=O)N(c3ccc(F)cc3)C2=O)cc1	211160009	NLRSIWJNYXDBBV-MRXNPFEDSA-N	384.367	2.095	0	1	GEAF	
Cn1c2c([C@H](O)[C@H](O)[C@@H](O)CO)nc(-c3ccccc3)c-2cc2ccccc21	15217329	XKUIGAKCZROFRN-WTOYTKOKSA-N	378.428	2.093	0	1	GEAF	biogenic
Cc1ccc(-n2nccn2)c(C(=O)N2[C@H]3CC[C@H]2[C@H](COc2cccnc2)C3)n1	226074154	BFKVCDQIAXRADW-BQFCYCMXSA-N	390.447	2.438	0	1	GEAF	
C[C@H]1CCCC[C@@H]1C(=O)N1CCN(c2ccc(C(=O)NCCC3CC3)nn2)CC1	95593647	RIKHYRIMBJOBEB-WMZOPIPTSA-N	399.539	2.481	0	1	GEAF	
CN1C=N[C@H]2[C@H]1C(=O)N(CCCCc1cc3c4c(cccc4n1)CC3)C(=O)N2C	587213110	TVCIRUUINBCYGV-VQTJNVASSA-N	391.475	2.219	0	1	GEAF	
COc1cc(NC(=O)Cc2ccc3c(O)nc(O)nc3n2)c(OC)cc1Cl	587369105	UUOXJOMTATVFTM-UHFFFAOYSA-N	390.783	2.288	0	1	GEAF	
Cc1c(O)ccc2c1[C@@](C)(c1ccc3c(c1)NC(=O)[C@@H](C)O3)N[C@H](C(=O)O)C2	963523514	IGKIJLUSVDUXPS-VNBSIWGGSA-N	382.416	2.282	0	1	GEAF	
NC(=O)c1cccc(NC(=O)/C=C\C(=O)N2CCC[C@H](Oc3ccccc3)C2)c1	1772588130	RROZUMONXJGWHO-JZHDPFOFSA-N	393.443	2.350	0	1	GEAF	
O=C(NC[C@@H](c1cnc(C(F)(F)F)nc1)N1CCOCC1)c1ccccc1F	207613106	OFESHNLAADBNNP-HNNXBMFYSA-N	398.360	2.438	0	1	GEAF	
C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](CNNC(=N)N)CC[C@]12O	3946206	TUOKAPUNXQTTDK-JYTYACEASA-N	378.561	2.109	0	1	GEAF	
Cc1c(C(=O)N2CCCC2)c(S(=O)(=O)NCCc2ccccc2)c(C)n1C	9684767	IFUUICLUGVCGGQ-UHFFFAOYSA-N	389.521	2.399	0	3	GEAF	
Fc1ccc(CN2CCN(C3=Nn4c(nnc4C(F)(F)F)CC3)CC2)cc1	103119179	INIIDTFMHZRHDG-UHFFFAOYSA-N	382.365	2.362	0	1	GEAF	
COC(=O)[C@H]1CN1[C@@H](CC(=O)OCc1ccccc1)C(=O)OCc1ccccc1	28530330	VEQLIWRZBIPKMI-HXIJRHRVSA-N	397.427	2.089	0	1	GEAF	
Cc1nc2cccc(-c3cc4c([nH]3)CCNC4=O)c2nc1NC1CCNCC1	222351208	RDRLFKLJQDCWPH-UHFFFAOYSA-N	376.464	2.383	0	1	GEAF	
CCC(=O)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4ccccc4F)cc3)[C@@H]2C1	95866766	HSZXWGUUBZPEQX-NNMXDRDESA-N	382.435	2.400	0	1	GEAF	
C/C=C/c1ccc([C@H]2[C@@H](CNC(=O)NC(C)C)N(C(=O)C3CC3)[C@H]2CO)cc1	95895930	ZSUGEGVLQGZVEF-GUDQURTESA-N	385.508	2.493	0	1	GEAF	
COc1cc(-c2oc3c(OC)c(OC)cc(O)c3c(=O)c2O)c(O)cc1O	238749035	PLXPVVOFDBRIAY-UHFFFAOYSA-N	376.317	2.308	0	1	GEAF	
C/C=C1/C=[N+]([O-])[C@@]2(C)C[C@@H]1[C@@H](C(=O)OC)[C@@]13C[C@H](O)C[C@@H]1N2c1ccccc13	238732012	ORGMIOVJZBTUJZ-MIQXEMIPSA-N	382.460	2.334	0	1	GEAF	
Cn1c2c([C@H](O)[C@H](O)[C@H](O)CO)nc(-c3ccccc3)c-2cc2ccccc21	34660313	XKUIGAKCZROFRN-YHYVQYDKSA-N	378.428	2.093	0	1	GEAF	biogenic
O=S(=O)(CCCN1CCC(O)CC1)NCCNc1cccc2ccccc12	299830892	YPWCRNFYDCTYBJ-UHFFFAOYSA-N	391.537	2.018	0	1	GEAF	
OC[C@H]1[C@@H](O)[C@@H](O)[C@@H](O)c2nc(CCCc3ccc(-c4ccccc4)cc3)cn21	169697548	JYUBGYMPVKAJEH-DXBBTUNJSA-N	394.471	2.028	0	1	GEAF	
Cn1cc(N=c2[nH]c(=Nc3ccccc3P(C)(C)=O)c3cc[nH]c3[nH]2)cn1	1857548274	HKMAGTYDZCQQCO-UHFFFAOYSA-N	381.380	2.270	0	1	GEAF	
O=C(O)c1ccc(C(=O)N2CCc3nc(-c4ccccc4)nc(O)c3C2)cn1	1857566892	OPHZYIKVCWMUAZ-UHFFFAOYSA-N	376.372	2.141	0	1	GEAF	
COc1ccccc1-c1onc(-c2ccc(F)cc2)c1C(=O)NC[C@@H](O)CO	773873	NKYHVZIUOLPOIE-CQSZACIVSA-N	386.379	2.239	0	1	GEAF	
CC[C@H](C)C(=O)O[C@@H]1CC(C(=O)OC)=C[C@H](OC(C)=O)[C@H]1OC(=O)[C@H](C)CC	2356417801	MUTKUWKXVNNJTE-NCZBFZFDSA-N	398.452	2.337	0	1	GEAF	
CC(=O)[C@@H]1[C@@H](c2cccc(Br)c2)NC(=O)N[C@]1(O)C(F)(F)F	4162864	CWAAEQZINSDVHP-CKYFFXLPSA-N	381.148	2.259	0	1	GEAF	
Cc1c(NC(=O)COC(=O)[C@H]2C[C@@H]3C=C[C@H]2C3)c(=O)n(-c2ccccc2)n1C	4163436	QXORCEWNUQJSFW-VYDXJSESSA-N	381.432	2.178	0	1	GEAF	
CC1(C)S[C@@H]2[C@H](NC(=O)N/C=C/c3ccc(Cl)cc3)C(=O)N2[C@H]1C(=O)O	28254145	ONQGTRRLUIXXKW-RRSIKEDESA-N	395.868	2.125	0	1	GEAF	
CC(=O)NC[C@H]1CN(c2ccc3c(c2)CCCN(C(=O)NC(C)C)C3)C(=O)O1	27409274	AUGKRFFYNNLTPV-SFHVURJKSA-N	388.468	2.014	0	1	GEAF	
O=c1n(Cc2nc3cnccc3n2CCCCO)c2cnccc2n1C1CC1	143682994	GZEAVYLQNNPLHG-UHFFFAOYSA-N	378.436	2.098	0	1	GEAF	
CC[C@@H](C(=O)NC1[C@H]2CC3C[C@@H]1CC(C(N)=O)(C3)C2)N1CCCC(F)(F)C1	36286349	JPMYVYXSNDIXGT-UCTXRZFMSA-N	383.483	2.293	0	1	GEAF	
COc1c2c(cc3c1[C@H]1[C@H](c4ccc5c(c4CN1C)OCO5)[C@@H](O)C3)OCO2	33832496	FYMTWGUKLAVFLL-VHSSKADRSA-N	383.400	2.340	0	1	GEAF	
CNCC(=O)N1CCN(c2cc(C(C)C)ccc2NC(=O)c2cccnc2)CC1	84604383	VUZZYBGAWUNMDC-UHFFFAOYSA-N	395.507	2.325	0	1	GEAF	
COc1ncc(-c2cc3c(C)nc(N)nc3n(C3CCOCC3)c2=O)cc1F	140504981	JMQRVKSTNHIKTJ-UHFFFAOYSA-N	385.399	2.243	0	1	GEAF	
CC(=O)Oc1ccc2c(c1)CC[C@H]1[C@@H]2CC[C@]2(C)[C@@H](OC(C)=O)[C@H](O)[C@H](O)[C@H]12	238749384	JCBSFUFZMPRJJS-ZIBLJMHNSA-N	388.460	2.341	0	1	GEAF	
CCn1nc(C)c([C@]2(CC(=O)C(=O)OC)CC(=O)c3cc(C)cc(N)c3O2)c1C	587389713	ISBJUUKUOSIMDY-OAQYLSRUSA-N	399.447	2.403	0	1	GEAF	
C[C@H](c1nc(O)c2cnn(C3CCOCC3)c2n1)N1CC(c2ccccn2)C1	1772601874	GOACIOJCSGPOHS-CYBMUJFWSA-N	380.452	2.439	0	1	GEAF	
C[C@H](N[C@H](CCc1cccc2ccccc12)C(=O)O)C(=O)N1CCC[C@H]1C(=O)O	13590062	CTHFSMGTKMPAKM-KYNGSXCRSA-N	398.459	2.279	0	1	GEAF	
CCOC(=O)N1[C@H]2C[C@@H]([C@H](O)[C@H]2CCCCCCC(=O)O)N1C(=O)OCC	169314880	RWKPABWWRZKYSA-RZLSGREXSA-N	386.445	2.375	0	1	GEAF	
COCCN1C(=O)C(=O)[C@H](C(=O)c2ccccc2)[C@H]1c1cc(OC)ccc1OC	169687594	ICSLNJDFTGEPMX-RBUKOAKNSA-N	397.427	2.302	0	1	GEAF	
COc1cc(-c2cn([C@H]3C(=O)N[C@@H]4CC[C@@H]3C4)nn2)ccc1-n1cnc(C)c1	169727674	XFUQJGQSRHSODW-SPYBWZPUSA-N	378.436	2.287	0	1	GEAF	
Cc1c(C(=O)N2CC[C@@H](C(F)(F)F)C2)cnn1-c1nc(O)c2c(n1)CCC2	1857594518	HBKAYFFKVXMZJO-SNVBAGLBSA-N	381.358	2.189	0	1	GEAF	
CC(C)OC(=O)[C@H](Cn1ccnc1)NC(=O)c1cc(-c2ccccc2F)on1	1857752085	NPLGDPLOUGTYDQ-INIZCTEOSA-N	386.383	2.427	0	1	GEAF	
COCC(=O)N[C@@H]1CC[C@]2(C)CC[C@H]([C@H](C)C(=O)NC(C)(C)C)[C@H](O)[C@@H]2[C@H]1C	2356317494	VYFULSKOMZIRSA-SXVKCCNKSA-N	396.572	2.492	0	1	GEAF	
N[C@@H]1CCN(c2nc3[nH]cc(CNCCCc4ccccc4)c(=O)c3cc2F)C1	26984919	SAOCWGLEFKHRHN-QGZVFWFLSA-N	395.482	2.322	0	1	GEAF	
CCCS(=O)(=O)NC(=O)[C@@]1(C)CCCN(C(=O)c2cc(F)cc(F)c2)C1	61929983	AXQYFISXWPFUTL-KRWDZBQOSA-N	388.436	2.063	0	3	GEAF	
Cc1ccc(-c2nc(C(=O)N[C@@H](C(=O)N3CCCNCC3)C(C)C)co2)cc1	82070135	KEPMTBLZZWGHCZ-GOSISDBHSA-N	384.480	2.226	0	1	GEAF	
CC[C@@H](C)C1=C2N=C3OC=CC=C[C@]3(O)C(=O)N2[C@@H](Cc2ccccc2)C(=O)N1	198361041	KEGQNQRTFBYGDC-WEBUEUPWSA-N	393.443	2.015	0	1	GEAF	
COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4ccccc4o3)NC(=O)NC1=O)C2	142809913	XUKDLTMDNYKLGY-NRFANRHFSA-N	391.383	2.132	0	1	GEAF	
CNC(=O)N1CC(NC(=O)c2cnc(N)c3cc(-c4cccc(F)c4)ccc23)C1	144769849	PLDRQEZDTLWZIK-UHFFFAOYSA-N	393.422	2.377	0	1	GEAF	
C[C@@H]1CN2C[C@H]3CC[C@H]4CCC=C4[C@@]4(CCC(=O)O)[C@@H]2[C@]1(O)CC[C@@]34CO	238759689	DKUTYRZBXMKKIY-TUIMICOISA-N	375.509	2.422	0	1	GEAF	
CNC[C@@H]1Oc2ncc(-c3ccc(OC)cc3)cc2C(=O)N([C@@H](C)CO)C[C@H]1C	95732791	KUOLKNDJLDMVPT-SIFCLUCFSA-N	399.491	2.197	0	1	GEAF	
CN1C=Cc2cc3c(cc2C(=O)[C@]12C(=O)Oc1c2ccc2c1OCO2)OCO3	31517077	ODZKWJNWPLUOKP-HXUWFJFHSA-N	379.324	2.057	0	1	GEAF	biogenic
COc1ccc2[nH]c(-c3ccc(S(=O)(=O)NC[C@H]4CCCO4)cc3)nc2n1	586947364	XACHGDGZYHBPKG-CYBMUJFWSA-N	388.449	2.091	0	1	GEAF	
CC(C)(C)OC(=O)NC1(c2nc3ccc(-n4cnnn4)cc3[nH]2)CCC(=O)CC1	587234590	QFRNQCZRDWYMMN-UHFFFAOYSA-N	397.439	2.402	0	1	GEAF	
COC(=O)c1cc2nc([C@@H](N)CCCNC(=O)OCc3ccccc3)[nH]c2cn1	587259435	GYIRPRTYBNPITQ-AWEZNQCLSA-N	397.435	2.451	0	1	GEAF	
Cc1ncsc1CCc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1	587028008	MADQUPNJSKEYOX-UHFFFAOYSA-N	392.506	2.134	0	1	GEAF	
NS(=O)(=O)c1ccc(CNC(=O)Nc2c(F)c(F)c(F)c(F)c2F)cc1	13561069	JVGQJMMFSMFJTR-UHFFFAOYSA-N	395.309	2.351	0	1	GEAF	
CCOC(=O)[C@@H]1[C@H](c2ccccc2)C[C@@H]2[C@@H](NC(=O)Cc3ccccc3)C(=O)N12	169304624	AWXNBFBIVFXLHS-ZSXPUABSSA-N	392.455	2.044	0	1	GEAF	
Cn1cc(-c2ccccc2Cc2nc3c(cnn3C3CCOCC3)c(=O)[nH]2)cn1	169699878	FYBJYQILZDGMKX-UHFFFAOYSA-N	390.447	2.462	0	1	GEAF	
CC(C)NC(=O)c1cnn2ccc(N3[C@H](CO)CC[C@@H]3c3cncc(F)c3)nc12	169704279	YYCRCMXHHDOWEV-DOTOQJQBSA-N	398.442	2.104	0	1	GEAF	
O=C(NCc1ncccc1F)c1cnc(CCNCc2nc3ccccc3[nH]2)o1	1857553332	LQZZWBRMBZQXRE-UHFFFAOYSA-N	394.410	2.347	0	1	GEAF	
CCOC(=O)c1cnc2nc(NCc3cccc(Br)c3)nn2c1O	6752692	KTTXSLOAWAIZNZ-UHFFFAOYSA-N	392.213	2.381	0	1	GEAF	
CN1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn([C@@H]4C[C@H]4F)c3c2F)CC1	27088813	CRRCJBNQFFUWNT-DGCLKSJQSA-N	381.354	2.013	0	1	GEAF	
COc1c(N2CC[C@H]([C@@H](C)N)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12	27990792	IUKZNPAZKOFPNP-MNOVXSKESA-N	389.427	2.356	0	1	GEAF	
Cc1c(C(=O)N2CC[C@](C)(C(=O)NS(=O)(=O)C3CC3)C2)oc2ccccc12	61925600	MMNSDYIPCUNJDG-IBGZPJMESA-N	390.461	2.202	0	3	GEAF	
COC(=O)c1cc(OC)c(OC)c(OC)c1-c1cc2c(cc1CO)OCO2	40918705	XGPPTIOIDUNMIQ-UHFFFAOYSA-N	376.361	2.387	0	1	GEAF	
O=C(c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1)N1CCCC12COC2	146554910	UVXKITNLYRAXML-UHFFFAOYSA-N	379.407	2.331	0	1	GEAF	
CCC(=O)N1[C@H](CO)[C@@H](c2ccc(-c3ccccc3)cc2)[C@@H]1CNC(=O)COC	95894990	NZQVWEYIOJOZRO-MZKRTTBSSA-N	396.487	2.182	0	1	GEAF	
CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(S(N)(=O)=O)cc1	587872326	JZHOOEXZADPPIQ-UHFFFAOYSA-N	389.408	2.424	0	1	GEAF	
Cc1cc2nc(CS(=O)(=O)Cc3ccnn3C)[nH]c2cc1Br	586921476	IWQIHFVYCBTMPH-UHFFFAOYSA-N	383.271	2.482	0	1	GEAF	
COC(=O)[C@@H]1N2CCC(CC2)[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1	587587908	IRRXJIYEPOIUCZ-AGHHOFFYSA-N	395.411	2.360	0	1	GEAF	
COc1ccc(S(=O)(=O)N[C@@H](c2nc3cccc(F)c3[nH]2)[C@H](C)O)cc1	586938835	RMDLKYGCPKQZLX-ZUZCIYMTSA-N	379.413	2.111	0	1	GEAF	
COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2ccc(N3CCN(C)CC3)cc2[nH]1	587230854	NMBOVTLTXSXTAP-QZTJIDSGSA-N	399.539	2.351	0	1	GEAF	
Cc1oncc1C(=O)Nc1ccc(Cc2nc3c(O)nc(S)nc3[nH]2)cc1	587244791	LZWZDUZJUJBXAM-UHFFFAOYSA-N	382.405	2.487	0	1	GEAF	
COc1ccc(S(=O)(=O)N[C@@H](c2nc3cc(F)cc(F)c3[nH]2)[C@@H](C)O)cc1	586938177	OPVROSYBCUKJLB-RFAUZJTJSA-N	397.403	2.250	0	1	GEAF	
O=C(C(=O)N1Cc2ncn(Cc3ccccc3)c2C[C@@H]1C(=O)O)c1ccccc1	13446645	XOIILBGNGCQRNF-LJQANCHMSA-N	389.411	2.152	0	1	GEAF	
N=C(N)NCCC(=O)Nc1cccc(S[C@H](CC(=O)O)c2cccnc2)c1	13589299	POFWLRJEVCMUNG-OAHLLOKOSA-N	387.465	2.201	0	1	GEAF	
O=C(NCc1ccc(-c2noc(CCC3CCCC3)n2)cc1)[C@H]1NCC[C@@H]1O	58502032	JYEKYESEGPQLCN-HKUYNNGSSA-N	384.480	2.198	0	1	GEAF	
CC(=O)S[C@@H](C(=O)c1cccc(F)c1)[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O	27315265	PZYULGLJQCUJFF-FUEDEBDSSA-N	381.425	2.368	0	1	GEAF	
Cc1ccsc1C(=O)N1CC[C@@]1(C)C(=O)NS(=O)(=O)c1cccc(F)c1	61926305	KIKGRMJVXLQNCT-KRWDZBQOSA-N	396.465	2.305	0	3	GEAF	
CC[C@@H]1[C@@H]2CCCCN3[C@H]([C@@H]4C[C@H](C)C(=O)O4)CC(=O)[C@]4([C@H](C)C(=O)O[C@H]14)[C@@H]23	2356814044	BXBKJAZWAYNGDP-GZIMLAJZSA-N	389.492	2.338	0	1	GEAF	
Cc1cc(Cl)ccc1OCC(=O)NCCNC(=O)C1=CC(C)(C)NC1(C)C	40639597	XNQPJNMJUAXXMO-UHFFFAOYSA-N	393.915	2.346	0	1	GEAF	
Cc1ccc(S(=O)(=O)N[C@H](CO)CCCCNC(=O)OC(C)(C)C)cc1	40877248	CGVSWCZEZLGPNV-HNNXBMFYSA-N	386.514	2.329	0	1	GEAF	
CCN(C)C(=O)c1cnc(N2CCN(C(C)=O)CC2)nc1-c1ccccc1F	82153130	OAEIGLYRQBYMHJ-UHFFFAOYSA-N	385.443	2.043	0	1	GEAF	
O=C(O)c1cc(COc2cccc(-c3ccc4c(O)nc(O)nc4n3)c2)on1	587556163	UAPWARDVAVTOKZ-UHFFFAOYSA-N	380.316	2.368	0	1	GEAF	
CCOC(=O)[C@@H]1CS(=O)(=O)CC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3	587530305	FESLCXAKBGWZSY-JXFKEZNVSA-N	392.473	2.267	0	1	GEAF	
CCOC(=O)C(=O)C[C@@]1(C(F)F)NCCc2cc3cccc(OC)c3nc21	963050715	CUEUHSYUXSDJTR-LJQANCHMSA-N	378.375	2.372	0	1	GEAF	
Cc1cnc(Oc2ccc3nc(C(=O)N[C@@H]4CCS(=O)(=O)C4)ccc3c2)nc1	1772571671	RAYWHAIIBGWIMY-CQSZACIVSA-N	398.444	2.042	0	1	GEAF	
C[C@](O)(C(=O)Nc1ccc(S(=O)(=O)c2ccccc2)c(O)c1)C(F)(F)F	13760147	PXUHSBKGJFYMON-HNNXBMFYSA-N	389.351	2.477	0	1	GEAF	
COc1ccc(N2C(=O)c3ccccc3NC(=O)[C@H]2C(=O)NCC(C)C)cc1	169303110	QGCACDYHSFZEFM-GOSISDBHSA-N	381.432	2.435	0	3	GEAF	
O=C(NC1[C@H]2CC3C[C@H]1CC(O)(C3)C2)c1cnc(NC2COC2)nc1C1CCC1	115038239	RAVCSHWHTBNNNM-ZAWUSCDPSA-N	398.507	2.224	0	1	GEAF	
C[C@H]1CCC[C@H](NC(=O)c2ccc3c(=O)n(C[C@@H]4CCCO4)c(=O)[nH]c3c2)[C@@H]1C	4004962	JGUMGGFTYRSCNL-KPEUIFRASA-N	399.491	2.423	0	1	GEAF	
O=C(NC1[C@@H]2CC3C[C@@H]1CC(O)(C3)C2)c1ccc(N2CCOCC2)nc1C1CC1	101549982	WYTGYKXJNWWDCV-FXJKUXABSA-N	397.519	2.465	0	1	GEAF	
COC(=O)[C@H](C(C)=O)C(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1	102761074	DWPFNBVNAILJTJ-RTBURBONSA-N	397.427	2.471	0	1	GEAF	
COc1cc(F)ccc1[C@H]1CN(c2nc(-c3ccncc3)cc(=O)n2C)CCN1	116775168	RPIKXGUGTPFFLU-GOSISDBHSA-N	395.438	2.141	0	1	GEAF	
CN1CCN(c2cc(-c3n[nH]c4ccnc(OC5CCOCC5)c34)ccn2)CC1	114772131	HJMQDFUMPHYZNE-UHFFFAOYSA-N	394.479	2.330	0	1	GEAF	
C[C@]1(O)CCN(C(=O)C2CCOCC2)[C@H](c2ccccc2)[C@@H]1NC(=O)C1CC1	2356700470	NVTXKURUROWRAR-DXIQSLLYSA-N	386.492	2.032	0	1	GEAF	
Cc1nc(-c2ccccc2)cc([C@H]2CN3CC[C@H]2C[C@H]3CNS(C)(=O)=O)n1	2356844571	NWRRGNMCMANNRJ-BZSNNMDCSA-N	386.521	2.179	0	1	GEAF	
C[C@]1(C(=O)NS(=O)(=O)c2cccc(F)c2)CCN1C(=O)C1CCCCC1	61903781	FQXVSXYNFHKLDB-GOSISDBHSA-N	382.457	2.202	0	3	GEAF	
COC(=O)C(N)(CC(=O)OCc1ccccc1)CC(=O)OCc1ccccc1	43060512	ZPNHJNSOMDNRHE-UHFFFAOYSA-N	385.416	2.124	0	1	GEAF	
COC[C@H]1CCCN1c1cc(Nc2cnccn2)nc(-n2nc(C)cc2C)n1	43197034	SWYQWMVVQGHPSG-OAHLLOKOSA-N	380.456	2.428	0	1	GEAF	
CC(=O)N1CCN(c2ncc(C(=O)N3CCCCC3)c(-c3ccccc3)n2)CC1	82133290	UAHYGLCRZXYDFA-UHFFFAOYSA-N	393.491	2.438	0	1	GEAF	
COC(=O)/N=c1/[nH]c2ccc(S(=O)(=O)NCc3ccccc3Cl)cc2[nH]1	84605070	KSQWLJIGAHFLSH-UHFFFAOYSA-N	394.840	2.295	0	1	GEAF	
C[C@H]1CCCCN1c1nn(CC(C)(C)O)cc1NC(=O)c1cnn2cccnc12	145168834	JGERZOWTPSQGTH-AWEZNQCLSA-N	397.483	2.328	0	1	GEAF	
CCCCCOc1cc2nc([C@@H](O)[C@H](O)C(=O)O)[nH]c2cc1Br	586890129	NLPAZKICAAEULU-STQMWFEESA-N	387.230	2.373	0	1	GEAF	
Cc1csc([C@@](O)(Cc2nc3c(O)nc(S)nc3[nH]2)C(F)(F)F)n1	587094249	NXDNHKPEWJFBRH-NSHDSACASA-N	377.373	2.105	0	1	GEAF	
CCN(CC)S(=O)(=O)c1ccc2nc([C@H](O)c3cccc(O)c3)[nH]c2c1	586893221	UTGCYUXHYMCQNU-QGZVFWFLSA-N	375.450	2.381	0	1	GEAF	
CCOC(=O)[C@@]1(CC(N)=O)CCCC[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3	587433936	XMVJXCSEFPFKSU-OREJSRFESA-N	387.432	2.180	0	1	GEAF	
COCC[C@@]1(CC(=O)OC)N[C@@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21	962703871	SZAPHILEFRDXDD-CJNGLKHVSA-N	393.333	2.238	0	1	GEAF	
O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2C2(CCN(C(=O)C3CC3)CC2)N1	962972045	TZBLMQXJBAPCAT-ZDUSSCGKSA-N	384.810	2.445	0	1	GEAF	
C[C@@]1([C@H]2C=C(C(=O)O)NN2c2ccccc2)N[C@H](C(=O)O)Cc2cc(F)ccc21	962894028	GWNVLYZBEKNGJH-YRISNDGFSA-N	397.406	2.002	0	1	GEAF	
COc1ccc2c(c1)OC(=O)C[C@@]21N[C@H](C(=O)O)Cc2c1cnc1ccccc21	963225014	CRSBZRKCVIAGAJ-PGRDOPGGSA-N	390.395	2.395	0	1	GEAF	
CC1(C)C(=O)Nc2nc(-c3nn(Cc4ccccc4F)c4ncncc34)nnc21	205097474	NAYKFQCEFZWJEA-UHFFFAOYSA-N	390.382	2.095	0	1	GEAF	
COc1cc2c(cc1OC)[C@]13CCN4CC(=CCO)[C@@H](C[C@H]41)[C@@H]1CCC(=O)N2[C@H]13	2356353353	MTGBFCBIKBUQGV-DFUWYIGCSA-N	396.487	2.093	0	1	GEAF	
CC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1	4296116	QERMCNMDQTUPII-KPFFTGBYSA-N	394.537	2.206	0	3	GEAF	
O=C(NCc1ccccc1)[C@@H]1[C@H]2C=C[C@]3(CN(Cc4cccs4)C(=O)[C@H]13)O2	4576182	IILVDRCTCCJXCW-DCXXXQMHSA-N	380.469	2.347	0	1	GEAF	
O=C(O)CNC(=O)[C@@H](Cc1ccccc1)C[C@@H](COc1ccccc1)C(=O)O	27759603	CPYPLUDLRCSHAZ-IRXDYDNUSA-N	385.416	2.216	0	1	GEAF	
CCN(CC)C(=O)[C@@H]1CCC[C@H](NCc2c(C)noc2C)CN(C)C(=O)C1	2356645625	YAQOGCFUGRJWSK-SJORKVTESA-N	378.517	2.267	0	1	GEAF	
Cc1cc(OS(=O)(=O)O)c2c(c1)N1CCCCN1C2=C1C=CC(O)C=C1	2356783675	LWGMKXAQWVMFAL-UHFFFAOYSA-N	376.434	2.205	0	1	GEAF	
COC(=O)C1=C2CCC3=C2[C@@]2(C1)[C@]1(C)[C@H](CC3)CN3C[C@@H](C)[C@@H](C[C@H]1O)[C@@]32O	2356851298	QGBNRSITTUSHFL-IYUBYRSISA-N	385.504	2.388	0	1	GEAF	
O=C1CCC[C@H]1C[C@H](CN1CCOCC1)Sc1nnnn1-c1ccccc1	31871946	OCVJVQVHWWLVIP-DOTOQJQBSA-N	387.509	2.215	0	1	GEAF	
CC(C)(C)OCCCNC(=O)C1=NO[C@@H](C(O)(C(F)(F)F)C(F)(F)F)C1	34660863	GOGPBPSRUPJVIT-SECBINFHSA-N	394.312	2.308	0	1	GEAF	
NC1=N[C@](CF)(c2cc(NC(=O)c3ccc(Cl)cn3)cnc2F)[C@H]2C[C@H]2O1	226070221	MRMRNMPCHKBUAA-GDKCJGSASA-N	393.781	2.420	0	1	GEAF	
CCCCNC(=O)OC[C@H](O)Cn1cc(CN(C)CC2CCCCC2)nn1	82153247	GJFPCYAMHJJUHN-GOSISDBHSA-N	381.521	2.177	0	1	GEAF	
COc1cc2c(cc1OC)[C@]13CCN4C[C@H]5CCO[C@@H]6CC(=O)N2[C@H]1[C@@H]6[C@H]5C[C@H]43	195443168	BETNIDISFVHOSJ-FHMFAOJSSA-N	396.487	2.190	0	1	GEAF	
COCc1cccc(NS(=O)(=O)c2ccc(C)c(N3CCNCC3)c2)c1	95579461	QSZKEUGVLSYSFQ-UHFFFAOYSA-N	375.494	2.352	0	1	GEAF	
COC(=O)C[C@H]1CC[C@H](NC(=O)Nc2ccc(C(F)(F)F)cc2)[C@@H](CO)O1	95675885	HFDKIVHAHGCNSH-HZSPNIEDSA-N	390.358	2.299	0	1	GEAF	
CNC[C@H]1Oc2cc(C3=CCCC3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C	95733479	DIFJFYXOESTABI-QMTMVMCOSA-N	394.537	2.242	0	1	GEAF	
O=C(Nc1ccc(NC2=NCCN2)cc1Cl)c1ccc(NC2=NCCN2)cc1	473114968	PVYLMTHRJHZCOA-UHFFFAOYSA-N	397.870	2.335	0	1	GEAF	
CN1C(=O)[C@@H](NC(=O)c2cc(Cc3ccccc3)[nH]n2)COc2ccccc21	653739167	NIAHVVIUZUZDFS-KRWDZBQOSA-N	376.416	2.154	0	1	GEAF	
OC[C@H](O)[C@H](O)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1	586885653	CTWOGFSOWDLBJX-HOCLYGCPSA-N	393.237	2.291	0	1	GEAF	
CC(C)(C)OC(=O)N1CC[C@H](OC[C@@H](O)CN2CCc3ccccc3C2)C1	219732356	VGLIUVRLGNYGAG-OALUTQOASA-N	376.497	2.432	0	1	GEAF	
CC(=O)NC(Cc1c[nH]c2cc(OCc3ccccc3)ccc12)(C(=O)O)C(=O)O	40584992	AFLKPPHPFVQDPE-UHFFFAOYSA-N	396.399	2.334	0	1	GEAF	
COCCNCCn1nc(C)c(CC(=O)NCc2ccc(F)cc2Cl)c1C	95565363	UITZMONCZXZLJL-UHFFFAOYSA-N	396.894	2.387	0	1	GEAF	
O=C(Nc1c[nH]c2ncccc12)c1cnn2ccc(NCC3CCNCC3)nc12	96270703	NQILECKDJCJFOD-UHFFFAOYSA-N	390.451	2.269	0	1	GEAF	
CCC(=O)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4ccccc4F)cc3)[C@H]2C1	95866767	HSZXWGUUBZPEQX-WOIUINJBSA-N	382.435	2.400	0	1	GEAF	
C/C=C/c1[nH]cc(C(=O)c2c(OC)cc(OC)cc2C(=O)OC)c(=O)c1OC	473121618	QBVKMDADEIDLEW-VOTSOKGWSA-N	387.388	2.451	0	1	GEAF	
C[C@@H]1CC(=O)N(CC(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)C1=O	653719127	WWZQALHAUXSIRS-LLVKDONJSA-N	384.263	2.037	0	1	GEAF	
COC(=O)[C@]1(CC(=O)c2cc(OC)ccc2OC)NCCc2ccc(O)cc21	963329577	OVWDOBBYAHXAPX-OAQYLSRUSA-N	385.416	2.196	0	1	GEAF	
COC(=O)[C@@]12C(=O)CCC(=O)[C@@H]1[C@@H]1C(=C[C@H]2C)O[C@@H]2OC3(CCCCC3)O[C@H]12	5723076	WKIWXIYYKPWPBT-QHNFNPNISA-N	390.432	2.276	0	1	GEAF	
COc1nc(OC)c2scc([C@H]3C[C@H](OC(C)=O)[C@@H](COC(C)=O)O3)c2n1	169308270	JOALXARXJKTADX-FRRDWIJNSA-N	396.421	2.033	0	1	GEAF	
CCc1nc(C)nc2c1CN(c1ncnn3c(C)nc([C@@H]4CCOC4)c13)CC2	169711764	XIIJNVWHEATJOT-CQSZACIVSA-N	379.468	2.160	0	1	GEAF	
CN=c1nc(N2CC[C@H](NC(=O)Nc3ccc(OC(F)(F)F)cc3)C2)cc[nH]1	1857617210	YTLJCEWXUOBATL-LBPRGKRZSA-N	396.373	2.239	0	1	GEAF	
CO[C@H]1[C@@H]([C@@H]2CC(=O)N(c3ccc(Cl)cc3)C(=O)N2)O[C@@H]2OC(C)(C)O[C@H]12	103292257	BVDQLOMODWVSCE-PJGLDBICSA-N	396.827	2.046	0	1	GEAF	
O=C(CN(C(=O)CNC(=O)c1ccco1)c1cccc(F)c1)NC1CCCC1	35310769	PUCLDXAATFHXBR-UHFFFAOYSA-N	387.411	2.241	0	1	GEAF	
OC[C@@H]1[C@@H](O)[C@H](O)CCN1CCCCCOCC12CC3CC(CC(C3)C1)C2	84617563	VIZUYNYAIYKSCL-QUISSDDZSA-N	381.557	2.178	0	1	GEAF	
CCCn1c(=O)c2c(nc(-n3cccn3)n2Cc2ccccc2)n(CCC)c1=O	40566759	KUROAWGKBQUBDI-UHFFFAOYSA-N	392.463	2.414	0	1	GEAF	
C[C@H]1COCCN1c1ccnc(-c2c[nH]c3ccc(-c4nnc(N)o4)cc23)n1	145424122	DETSRRVOAOWTKK-NSHDSACASA-N	377.408	2.482	0	1	GEAF	
COc1ncc(-c2cnc3nc(N)nc(C)c3c2)cc1NC(=O)C(F)(F)F	299836326	YOASAGMPYNULEP-UHFFFAOYSA-N	378.314	2.487	0	1	GEAF	
CC(C)(C)OC(=O)Nc1nnc(Cc2nc3cccc(C(=O)O)c3[nH]2)s1	587024405	YWVBZPRXYCLVKP-UHFFFAOYSA-N	375.410	3.050	0	1	GEAF	
CN(C)S(=O)(=O)c1ccc2nc(Cc3cc(F)cc4c3OCOC4)[nH]c2c1	587171631	QUHYMYJOVFUFES-UHFFFAOYSA-N	391.424	2.410	0	1	GEAF	
[C-]#[N+]c1ccc(N2CCN(C[C@H](O)c3ccc4c(c3C)COC4=O)CC2)nc1	1772583928	WCVMQTOKBBOWOZ-IBGZPJMESA-N	378.432	2.467	0	1	GEAF	
Cn1c(=O)cc(OCCCC(=O)N2CCC3(CC2)OCCO3)c2ccccc21	5067631	UQENXQJYWKJQRU-UHFFFAOYSA-N	386.448	2.063	0	3	GEAF	
CCN1c2ncc(COc3cc[n+]([O-])cc3)cc2C(=O)N(C)c2cccnc21	5842369	PGICMOMWBVXUKZ-UHFFFAOYSA-N	377.404	2.437	0	1	GEAF	
O=C(CCN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@@H]2C1=O)[C@@H]1C[C@H]31)Nc1ccc(Cl)cc1O	169300908	CAXIQVSZUQAKEM-PUVIGFKHSA-N	386.835	2.427	0	1	GEAF	
CCCn1c(SCC(=O)Nc2ccc(C)cc2)nc2c1c(O)nc(=O)n2C	1857543443	KNEFPAHBEKRISZ-UHFFFAOYSA-N	387.465	2.285	0	1	GEAF	
CCCCCNC(=N)c1ccc(C2=NO[C@@H](CC(=O)NCCC(=O)O)C2)cc1	3812371	SECNBFOAVBDGBV-MRXNPFEDSA-N	388.468	2.266	0	1	GEAF	
COc1cc([C@@H]2OC(=O)[C@@H]3[C@@H](c4ccc(O)c(O)c4)OC[C@@H]32)cc(OC)c1O	14609852	HTEHANGVKGKXLH-ZHDFWETCSA-N	388.372	2.422	0	1	GEAF	biogenic
CCCN1CCN(c2nc3ccc(N)cc3nc2N2CCN(CCC)CC2)CC1	26178780	WGWPFFWTRSDQNU-UHFFFAOYSA-N	397.571	2.276	0	1	GEAF	
CCCC[C@H](CN(O)C=O)C(=O)N1CC=C[C@H]1C(=O)Nc1ccc(F)cc1	49035870	RTOCBBYQNTVQPK-PBHICJAKSA-N	377.416	2.185	0	1	GEAF	
COC[C@@H](C1CC1)n1cc(Cl)nc(Nc2c(C)nc(OC)nc2OC)c1=O	49125933	XVLGHPRDJHXPCK-NSHDSACASA-N	395.847	2.353	0	1	GEAF	
C[C@H]1CN(CCn2cnnn2)CC[C@H]1N(C(=O)c1ccco1)c1ccccc1F	58682850	PBLWMPGMKFCGTH-DOTOQJQBSA-N	398.442	2.463	0	1	GEAF	
CCCCn1c(=O)c(C(=O)NC2C[C@@H]3CC[C@@H](C2)N3C)c(O)c2cccnc21	100743174	XLVVGMWYXBVUJZ-GJZGRUSLSA-N	384.480	2.257	0	1	GEAF	
COc1cc2c(cc1OC)CN(C(=O)CNCC(=O)Nc1cccc(C)c1)CC2	169702813	CPZVVRBAVBNMDY-UHFFFAOYSA-N	397.475	2.125	0	1	GEAF	
N#Cc1ccc(Oc2ccc(-c3cccc([C@@H](O)[C@H](O)C(N)=O)n3)cc2)cc1	205477511	PZSJUVFXYLWILL-UXHICEINSA-N	375.384	2.292	0	1	GEAF	
COC(=O)[C@H](Cn1ccnc1)NC(=O)c1c(C)nn(-c2ccccc2)c1Cl	473084019	PYZSBQQHZCMXFK-AWEZNQCLSA-N	387.827	2.002	0	1	GEAF	
Cc1c(Br)ccc2nc([C@@H](C)NS(=O)(=O)c3cnn(C)c3)[nH]c12	586937035	CKQVDMLXPJSWDC-SECBINFHSA-N	398.286	2.407	0	1	GEAF	
COc1cc(OC)c2[nH]c([C@@](C)(N)c3ccc(S(=O)(=O)O)cc3)nc2c1	586957850	DMDJHYYHHGUIAX-KRWDZBQOSA-N	377.422	2.049	0	1	GEAF	
C[C@@H]1CC(=O)N([C@H](C)C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1=O	653780482	NOTXGHKIODSVCM-CHWSQXEVSA-N	397.397	2.138	0	1	GEAF	
CC(C)NC(=O)[C@@H]1CN2CC[C@H]1C[C@H]2Cn1cc(COc2ccccc2)nn1	2356300601	NMYSQKCNGKXHEO-XKGZKEIXSA-N	383.496	2.092	0	1	GEAF	
COc1ccc2[nH]c([S@@](=O)Cc3nccc(N4CCOCC4)c3F)nc2c1	3778153	SXGODCSSHGSOHQ-HHHXNRCGSA-N	390.440	2.250	0	1	GEAF	
Cc1nc(C)n(O)c1C(=O)c1ccc(S(C)(=O)=O)c(C2=NOCC2)c1Cl	103205317	RREAPSPUYYEKRP-UHFFFAOYSA-N	397.840	2.150	0	1	GEAF	
COc1ccc(CNc2nc(N[C@](C)(O)CO)nc3c2ncn3C(C)C)cc1	26647856	LASSXLIBWVEMIH-LJQANCHMSA-N	386.456	2.141	0	1	GEAF	
CN(C)CC(=O)Nc1n[nH]c2cc(-c3cn(Cc4ccccc4)nn3)ccc12	63540003	UIZGOEDLEJDOIA-UHFFFAOYSA-N	375.436	2.370	0	1	GEAF	
Cc1ccc(S(=O)(=O)NC(=O)[C@]2(C)CCN2C(=O)Cc2cccs2)cc1	61905844	LGIYYWYVIGCEGH-SFHVURJKSA-N	392.502	2.095	0	3	GEAF	
COc1cc(C[C@H](O)[C@@H]2C[C@H](O)C[C@@H](c3ccc(O)c(OC)c3)O2)ccc1O	2356549938	MWUQQAZSIPSFMW-SIHWBGBFSA-N	390.432	2.300	0	1	GEAF	
COc1ccc(CNC(=O)[C@@H]2O[C@H](CCN3CCCCC3)CC[C@@H]2O)cc1	2356859327	STKRNJMBNWUIKT-SLFFLAALSA-N	376.497	2.096	0	1	GEAF	
O=C(O)CCCCc1ccc(Cn2cc(Br)c(=O)[nH]c2=O)cc1	35878320	MNMBOFSGYFKNCX-UHFFFAOYSA-N	381.226	2.145	0	1	GEAF	
CC(C)(C)c1ccc(CCNS(=O)(=O)c2cc(C(=N)N)ccc2O)cc1	40848023	NLBOMTJDUIVSSP-UHFFFAOYSA-N	375.494	2.495	0	1	GEAF	
C[C@]1(c2nc(NC(=O)c3ccc(Cl)cn3)ccc2F)N=C(N)O[C@@H]2C[C@@H]21	226074809	LAQCETLNRQMRPC-WUDNQAJYSA-N	375.791	2.470	0	1	GEAF	
CC(C)(C)c1[nH]cnc1C=c1nc(O)c(=Cc2cccc3cccnc23)nc1O	299816881	WLYQRORIQWOCDD-UHFFFAOYSA-N	387.443	2.114	0	1	GEAF	
O=C1CN(c2ccccc2Cl)CCN1C[C@H](O)CN1CCc2ccccc2C1	209694619	SCOHWISZLDYORY-LJQANCHMSA-N	399.922	2.408	0	1	GEAF	
Cc1cccc(N2CCN(C(=O)CNS(=O)(=O)c3cccs3)C[C@H]2C)c1	4734410	YBFUEVPEQFTUHX-OAHLLOKOSA-N	393.534	2.072	0	1	GEAF	
COC(=O)c1ccc(-c2ccco2)n1CC(=O)N1CCN(c2ccccn2)CC1	6870676	UFZOBMZPEVPNCA-UHFFFAOYSA-N	394.431	2.279	0	1	GEAF	
COc1ccc(CN[C@@H]2C[C@H](O)[C@H](CO)[C@H]2Cc2ccnc(C3CC3)n2)cc1	2356288528	GCNJZQSQRMQYRO-NCYKPQTJSA-N	383.492	2.053	0	1	GEAF	
COC(=O)[C@@H]1C[C@H](O)C(=O)[C@@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@@]12C	28125031	BLTMVAIOAAGYAR-CPQANXRDSA-N	390.432	2.429	0	1	GEAF	
O=C(N[C@@H]1COCC(=O)N(Cc2ccc(F)cc2)C1=O)OCc1ccccc1	29045203	SDLQERMHHZDFBI-QGZVFWFLSA-N	386.379	2.006	0	1	GEAF	
COCCNC(=O)[C@H](C)[C@@H]1CC[C@]2(C)CC[C@H](NC(=O)C3CC3)[C@H](C)[C@@H]2[C@H]1O	2356491541	KXOJPFMBNWZORO-NQYIODQTSA-N	394.556	2.103	0	1	GEAF	
O=C1c2cc(F)ccc2-n2c1nc1ccc(CN3CCC[C@H]3C(=O)O)cc1c2=O	1911584491	YSICVYUWJXXHSW-KRWDZBQOSA-N	393.374	2.118	0	1	GEAF	
COc1cc2nc(NC[C@@H](O)CO)nc(NCCc3ccccc3)c2cc1OC	82128307	GJTIDSACSABBBZ-OAHLLOKOSA-N	398.463	2.067	0	1	GEAF	
O=C(c1cnccn1)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2CC1CCCC1	95894772	JGYATIWRVBGIJM-PWRODBHTSA-N	378.476	2.456	0	1	GEAF	
COc1cc2nc(CCNS(=O)(=O)c3ccc(Cl)nc3)[nH]c2cc1F	586941832	BZSKJFTVENRKTR-UHFFFAOYSA-N	384.820	2.280	0	1	GEAF	
N=C(N)c1cccc(CN2CCN(Cc3nc4cc(Cl)ccc4[nH]3)CC2=O)c1	13439837	NIJAEPFMFVZVEG-UHFFFAOYSA-N	396.882	2.345	0	1	GEAF	
C[C@@H]1Cn2cc(C(=O)O)c(=O)c3cc(F)c(N4CCN(C)CC4)c(c32)S1	3801932	QLALJUSDTOSHEW-SNVBAGLBSA-N	377.441	2.085	0	1	GEAF	
COc1ccc(OC)c(NC(=O)CCCN2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)c1	4035771	JZNJPIJGUQTLFE-QXUMQBBKSA-N	384.432	2.230	0	1	GEAF	
CN1CCCN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)CC1	28570785	WOUFGRKLDBZDQW-UHFFFAOYSA-N	394.450	2.431	0	1	GEAF	
CC=C1CN2CC[C@@]34c5ccccc5N[C@@H]3[C@H]2C[C@H]1[C@]4(COC(C)=O)C(=O)OC	2356674369	FLECFYMISGFZLH-HURHVGRMSA-N	396.487	2.495	0	1	GEAF	
COc1ccc2c3c([nH]c2c1)[C@H](C=C(C)C)N1C(=O)[C@H]2CCCN2C(=O)[C@]1(O)C3	2356717058	GAQLGONAVPUXSP-KGVIQGDOSA-N	395.459	2.262	0	1	GEAF	
C[C@H]1Cn2cc(-c3nc4c(cc3F)C(=O)[C@@H](C(=O)O)CN4C3CC3)cc2CN1	45316202	JHIUYRAVYSCIGS-BONVTDFDSA-N	384.411	2.047	0	1	GEAF	
CN(C)CCNC(=O)c1cc2c(c3ncccc13)NS(=O)(=O)c1ccccc1-2	142078835	DIXXGSHBOWHBFF-UHFFFAOYSA-N	396.472	2.307	0	1	GEAF	
COc1ccc(Nc2ncc(-c3cnn(C)c3)cc2-c2nc(C)nc(N)n2)cn1	95552542	KRSNHRXVUCZIHY-UHFFFAOYSA-N	389.423	2.372	0	1	GEAF	
COc1ccc(C(C)(C)C)cc1N1C(=O)[C@@H]2CSCCS(=O)(=O)N2C1=O	96021283	DIPSQEUBAHHZPO-ZDUSSCGKSA-N	398.506	2.207	0	3	GEAF	
CN(Cc1cccc(F)c1)C(=O)n1cnc(S(=O)(=O)[C@@H]2C[C@H]3CC[C@@H]2C3)n1	473085970	ABZAZZJDIAWGPK-JGGQBBKZSA-N	392.456	2.480	0	1	GEAF	
Cn1nnc(-c2nc3cc(I)cnc3[nH]2)c1C(F)F	587129565	XYWADFWLWKJVJN-UHFFFAOYSA-N	376.108	2.296	0	1	GEAF	
O=C(NCCN1CCN(c2cccc3c2OCCO3)CC1)c1ccc(F)cc1	13738303	GTEYGWXMYSXCRZ-UHFFFAOYSA-N	385.439	2.149	0	1	GEAF	
O=C(c1cc(Cc2nnc(O)c3ccccc23)ccc1F)N1CCC12CNC2	1857748724	CZOWUEDVRMNDLF-UHFFFAOYSA-N	378.407	2.253	0	1	GEAF	
O=C(/C=C/c1ccccc1)O[C@H](c1ccccc1)[C@@H]1O[C@@H]2CC(=O)O[C@@H]2[C@H]1O	257423797	GDYNBHXFRSGEGM-CLMFUUGZSA-N	380.396	2.428	0	1	GEAF	
Cn1cc(C2=C(c3ccc(S(C)(=O)=O)cc3)C(=O)NC2=O)c2ccccc21	13447836	QOBKEONCLBCUMN-UHFFFAOYSA-N	380.425	2.149	0	1	GEAF	
NCCOC(=O)[C@H](Cc1ccccc1)NC(=O)c1coc(-c2cccs2)n1	82080898	SVHGRHHMMBONMM-AWEZNQCLSA-N	385.445	2.246	0	1	GEAF	
COC(=O)[C@H](Cc1ccc(Cl)cc1)n1c(O)cc(=O)n(C2CCCC2)c1=O	96270099	KXEFJXWXINHWIE-HNNXBMFYSA-N	392.839	2.441	0	1	GEAF	
CO/C(O)=C1\C(C)=Nc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccc(Cl)cc1	101738154	ZOORQMCEHIODBJ-LVLBFHFTSA-N	375.812	2.391	0	1	GEAF	
CO/C(O)=C1/C(C)=Nc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccc(Cl)cc1	102355428	ZOORQMCEHIODBJ-KAECEXQPSA-N	375.812	2.391	0	1	GEAF	
COc1ccc([C@H]2CN(c3nc(-c4ccncc4)cc(=O)n3C)CCN2)cc1	116779066	UJEZKRJUBHZWII-LJQANCHMSA-N	377.448	2.002	0	1	GEAF	
COc1ncc(-c2ccc3ncc4c(c3n2)n(C2CCOCC2)c(=O)n4C)cn1	118534015	CSUPQVRWQHEDEW-UHFFFAOYSA-N	392.419	2.100	0	1	GEAF	
N#Cc1ccc(-c2cc(NC3CC3)n3ncc(/C=C4\NC(=O)NC4=O)c3n2)s1	167538783	OMZYMPYXMRQFTL-ACAGNQJTSA-N	391.416	2.084	0	1	GEAF	
Cc1c[nH]c2ncc(-c3cccnc3N[C@H]3CCCN(S(C)(=O)=O)C3)nc12	169091549	GOZFKFAFAJSLCX-ZDUSSCGKSA-N	386.481	2.164	0	1	GEAF	
O=C(NN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@@H]34)[C@H]2C1=O)c1cccc(Br)c1	169347241	IYWDNVOMIGEONH-LACSLYJWSA-N	387.233	2.147	0	1	GEAF	
NC(=O)[C@H](O)[C@@H](O)c1cccc(-c2ccc(Oc3ccc(Cl)cn3)cc2)n1	205477609	ABLPGMWCKMKLON-ZWKOTPCHSA-N	385.807	2.469	0	1	GEAF	
C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2c(Cl)c(Cl)cnc2[nH]1	586938584	KOFQFUFWMNPKGL-ZCFIWIBFSA-N	375.241	2.038	0	1	GEAF	
NS(=O)(=O)c1cccc2[nH]c(-c3cccn4c(Br)cnc34)nc12	587007392	KEUGDLXDXOJEPJ-UHFFFAOYSA-N	392.238	2.288	0	1	GEAF	
O=C(N[C@H](Cc1nc2ccc(C(=O)O)cc2[nH]1)C(=O)O)OCc1ccccc1	587204367	XEMHWGULIPWKGB-OAHLLOKOSA-N	383.360	2.183	0	1	GEAF	
CS(=O)(=O)N1CCC2(CC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1	587604907	ACVWCBSDFCQGRY-INIZCTEOSA-N	389.429	2.148	0	1	GEAF	
COC(=O)Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1CNC(=O)OC(C)(C)C	587649788	BOFVOXRFKXYZLV-UHFFFAOYSA-N	396.465	2.312	0	1	GEAF	
COC(=O)C(=O)C[C@@]1(c2ccco2)NCCc2cc3cccc(OC)c3nc21	963051360	DRXPBRHRBOFDOC-NRFANRHFSA-N	380.400	2.358	0	1	GEAF	
O[C@@H]1[C@@H](NCCCc2ccccc2)[C@H]2CO[C@@H](O2)[C@@H]1n1cnc2ccccc21	2356296308	LETHGYBXWPNUDZ-YHINDDMVSA-N	379.460	2.284	0	1	GEAF	
CC=C1CN2CC[C@@]34c5cc(O)ccc5N(C)[C@@]35OC[C@@]4(C(=O)OC)[C@H]1C[C@@H]25	2356670668	YILKZADAWNUTTB-RDVQZDAUSA-N	382.460	2.020	0	1	GEAF	
COc1cc(C(=O)N2Cc3ccccc3-n3nncc3C2)cc(OC)c1OC	61924171	TVFXPSRKRONEDH-UHFFFAOYSA-N	380.404	2.449	0	3	GEAF	
O=C(Cn1cnc2c(nc3n2CCCCC3)c1=O)N1CCCc2ccccc21	21871414	MRMLASYCQABTKG-UHFFFAOYSA-N	377.448	2.299	0	1	GEAF	
COc1ccc(CN2CCC(N3Cc4cccc(C(N)=O)c4C3=O)CC2)cc1	117348028	JGDZCUDTQHFFIB-UHFFFAOYSA-N	379.460	2.415	0	1	GEAF	
CCCCC[C@H](O)C=C[C@H]1[C@H](CC=CCCCC(=O)NCCO)C(=O)C[C@H]1O	2356710021	GKKWUSPPIQURFM-VNYTWHDVSA-N	395.540	2.275	0	1	GEAF	
O=C(NN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O)c1ccc(Br)cc1	36386827	QRWZSMGXNJSJBA-LEYGVYNDSA-N	387.233	2.147	0	1	GEAF	
COc1ccc(C[C@@]2(O)C(=O)OC[C@@H]2Cc2ccc3c(c2)OCO3)cc1OC	14646939	XQAPIFWFLMEZDZ-BTYIYWSLSA-N	386.400	2.122	0	1	GEAF	biogenic
COc1ccc(CNC(=O)C[C@@H]2CCNC[C@@H]2Cc2cc(C(C)=O)on2)cc1	15673641	SKVDHHLJRMMKOZ-IRXDYDNUSA-N	385.464	2.361	0	1	GEAF	biogenic
COc1cc2c(cc1OS(N)(=O)=O)CC[C@H]1[C@@H]3CC[C@@H](O)[C@@]3(C)CC[C@@H]21	135882635	RWIXFHUXVURZCZ-ZGPDXJMCSA-N	381.494	2.495	0	1	GEAF	
COc1cc(CNc2nc(N3CCC[C@H](C(N)=O)C3)ncc2C)cc(OC)c1	82204314	UKLDJQARZLXNMK-HNNXBMFYSA-N	385.468	2.116	0	1	GEAF	
CCN(C)C(=O)c1cnc(N2CCC[C@H](C(N)=O)C2)nc1-c1cccc(C)c1	82147566	ILMAHJCZGOBJDI-INIZCTEOSA-N	381.480	2.246	0	1	GEAF	
COc1cc(-c2ccc3c(c2)[C@@]2(COC(N)=N2)C2(COC2)C(C)(C)O3)ccn1	148950057	KHXXKWQBUJEQDU-NRFANRHFSA-N	381.432	2.485	0	1	GEAF	
COCC(=O)N(C)C[C@H]1[C@H](c2ccc(-c3ccccc3)cc2)[C@H](CO)N1C(C)=O	95895724	CBLKVIXJSSEHMU-FUDKSRODSA-N	396.487	2.134	0	1	GEAF	
C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)N(C)C)N(CC3CCCC3)[C@@H]21	95865668	PKOABIBVFFJYCF-OWENICJASA-N	399.535	2.123	0	1	GEAF	
CC(=O)N1CCC2(CC1)CN(C(=O)[C@H]1CSCN1)c1ccc(Cl)cc12	299843556	UBTPEEWHKXVUST-OAHLLOKOSA-N	379.913	2.229	0	1	GEAF	
Cc1cc2[nH]c(Cn3cc(I)c(C(=O)O)n3)nc2c(C)n1	587185626	MXKYOCVVLRBJLV-UHFFFAOYSA-N	397.176	2.122	0	1	GEAF	
O=C1[C@@H](c2nnnn2-c2ccc(F)cc2)N(C2CC2)C(=O)N1c1ccccc1	206054183	RKHQCRKYGMPIAH-MRXNPFEDSA-N	378.367	2.474	0	3	GEAF	
O=C(Nc1ccc(C(=O)N2C[C@H]3CCO[C@H]3C2)cc1)N1Cc2ccncc2C1	166063328	TWENDCAVWTYMIJ-APWZRJJASA-N	378.432	2.490	0	1	GEAF	
CN=c1[nH]cc(C(=O)NCc2ccc(Cl)cc2)c2nc(-c3ccco3)nn12	1857655589	KZBHIBZMAGPGET-UHFFFAOYSA-N	382.811	2.431	0	1	GEAF	
CC(=O)c1ccc(N2CCN(C(=O)Cn3c(=O)oc4ccccc43)CC2)cc1	2927673	DCNWAWFREUMXNY-UHFFFAOYSA-N	379.416	2.146	0	1	GEAF	
COCCN1Cc2cccc(C(=O)N3CCN(C4CCCCC4)CC3)c2C1=O	6771294	NRZGWPBPALOURD-UHFFFAOYSA-N	385.508	2.379	0	1	GEAF	
O=c1cccc2n1C[C@@H]1C[C@@H]2CN(Cc2nnc(-c3ccc4c(c3)OCO4)o2)C1	102219090	FTKVAEAZIKGCJX-UKRRQHHQSA-N	392.415	2.246	0	1	GEAF	
Cc1noc(C)c1Cn1cc(N2C(=O)[C@H]3Cc4cc(O)ccc4CN3C2=O)cn1	115732105	NFQUINZKVITPDF-GOSISDBHSA-N	393.403	2.135	0	1	GEAF	
CS(=O)(=O)N1CC[C@H](CC(=O)O)[C@@H](Cc2nc3cccc(Cl)c3[nH]2)C1	2356611248	PWHYGTWPEYTLLQ-MNOVXSKESA-N	385.873	2.131	0	1	GEAF	
CN1CCN(c2nc(C(=O)NCc3ccc(F)cc3)c(O)c3ncccc23)CC1	34820430	LQCQPBUEUDRVLA-UHFFFAOYSA-N	395.438	2.156	0	1	GEAF	
CC[C@]12CC(C(=O)OC)=C3Nc4cc(OC)ccc4[C@]34CCN(C[C@@H]3O[C@@H]31)[C@H]42	14719378	YKTXUUJZENEUGL-XXBFSGCESA-N	382.460	2.441	0	1	GEAF	biogenic
CN1CC2(CNC(=O)c3c2[nH]c2c3CCc3cnc(-c4ccc(F)nc4)cc3-2)C1	72110060	PSLJFZFZLOVUSG-UHFFFAOYSA-N	389.434	2.303	0	1	GEAF	
NS(=O)(=O)c1ccc(NC(=O)c2ccccc2NC(=O)c2ccco2)cc1	71281493	FFTSFVUSBPOJKD-UHFFFAOYSA-N	385.401	2.432	0	1	GEAF	
Cc1ccc(NC(=O)[C@@H]2[C@@H]3C=C[C@]4(CN(Cc5cccnc5)C(=O)[C@@H]24)O3)cc1F	195243506	MHLHARLAZLJYDT-JZJXAQOMSA-N	393.418	2.450	0	1	GEAF	
Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4c(O)nc(S)nc4[nH]3)cc12	587036806	ABTOJYUWAOXFGE-ZCFIWIBFSA-N	389.466	2.095	0	1	GEAF	
CN1C(=O)C2=C(C1=O)N(CC(=O)Nc1ccc(-c3ccccn3)cc1)CCC2	1772582181	SWGBWIDXEWSWMQ-UHFFFAOYSA-N	376.416	2.036	0	1	GEAF	
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN4CCC3CC4)c(F)c21	13650315	OXURVGFLFRPDCF-UHFFFAOYSA-N	377.391	2.282	0	1	GEAF	
O=C1CN(CCCOc2ccc3c(=O)ccoc3c2)CC(=O)N1c1ccccc1	13860944	SAXHRDGJCMELCP-UHFFFAOYSA-N	392.411	2.437	0	1	GEAF	
CNC(=O)[C@H](CCCCCCNC(=O)c1cc(-c2cccc(N)c2)on1)N=O	169724752	HFTBQKCVLFDPKD-HNNXBMFYSA-N	387.440	2.485	0	1	GEAF	
Cc1ccccc1CN1CCN(c2cnnc(O)c2Br)CC1=O	1857542116	SJIPRCWBNHKBSL-UHFFFAOYSA-N	377.242	2.102	0	1	GEAF	
O=C1NC(=S)NC1=Cc1ccc(-c2ccc3c(c2)CN(CCCO)C3=O)s1	1857742573	FAHSYOLAZVYRKH-UHFFFAOYSA-N	399.497	2.099	0	1	GEAF	
Oc1ccc(-c2cc3c(N4CCOCC4)nnc(N4CCOCC4)c3cn2)cc1	3652315	NJFVZFYMZIQNQV-UHFFFAOYSA-N	393.447	2.071	0	1	GEAF	
C[C@@H](NC(=O)CN(C)S(=O)(=O)c1cccc2nsnc12)c1ccccc1	6771719	KHODYSKONYITLD-GFCCVEGCSA-N	390.490	2.189	0	3	GEAF	
OCc1cn(-c2ccc(N3CCC(N4CCc5ccc(F)cc54)CC3)nn2)cn1	103241872	XFAIPWMPBKSRHX-UHFFFAOYSA-N	394.454	2.325	0	1	GEAF	
O=C1[C@H]2C[C@@H](CN2C(=O)c2ccno2)Oc2ccccc2N1Cc1ccccn1	2356300805	YCHNECFDTOEBEB-DOTOQJQBSA-N	390.399	2.279	0	1	GEAF	
CCOC(=O)C[C@@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C	28012667	FOQFTNGVLMVBTQ-FCEWJHQRSA-N	386.533	2.018	0	1	GEAF	
Cc1ccc(CCNS(=O)(=O)c2ccc(-c3ccc(=O)[nH]n3)s2)cc1	20574735	BTHINTOUWPKYAP-UHFFFAOYSA-N	375.475	2.328	0	1	GEAF	
C[C@](O)(c1ccc(S(=O)(=O)c2ccccc2CC(N)=O)cc1)C(F)(F)F	64560612	YVBOUXSVKPCZRJ-INIZCTEOSA-N	387.379	2.317	0	1	GEAF	
COc1ccc([C@@H](O)[C@@H](CO)Oc2ccc(CCCO)cc2OC)cc1OC	14438056	HXOSLWKKWGVPFQ-NHCUHLMSSA-N	392.448	2.111	0	1	GEAF	biogenic
O=C(CC1CC1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4cccnc4)cc3)[C@H]2C1	95869593	DGHPVEHYJCHVCF-TXTKFYIRSA-N	391.471	2.046	0	1	GEAF	
COc1ccc([C@@H](O)[C@@H]2CO[C@H](c3ccc(OC)c(O)c3)[C@H]2CO)cc1O	238757801	PGWSIRRJBWWKAV-TUGJPZLJSA-N	376.405	2.145	0	1	GEAF	
CCCN1[C@H](C(=O)OC)[C@@H](CO)[C@@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@@H]21	95880272	NABBLOTWFSPZJS-XEYPJELSSA-N	382.460	2.062	0	1	GEAF	
CCCNC(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2CC2CCCCC2)O1	95886487	LQDIADHJFKFRSI-LWYYNNOASA-N	382.545	2.092	0	1	GEAF	
O=C(Nc1cccc(Cl)c1)N[C@@H]1CC[C@@H](CCNC(=O)C2CC2)O[C@@H]1CO	95904271	JUGQZOVOVDNIIT-GVDBMIGSSA-N	395.887	2.286	0	1	GEAF	
C=CS(=O)(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(C2CCCCC2)no1	618020231	NXMHRHAVIWRPJQ-GASCZTMLSA-N	379.482	2.484	0	1	GEAF	
COc1cc2c3c(c1)O[C@@H](c1cc(OC)c(OCC(N)=O)c(OC)c1)[C@@H](C2)C3=O	587432415	LRCKDKVVERUTKT-RBZFPXEDSA-N	399.399	2.065	0	1	GEAF	
CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)N(CC)C[C@H]1C(=O)OCC	587478182	RSYFYXAKYIUBQZ-XOBRGWDASA-N	375.421	2.090	0	1	GEAF	
O[C@H]1C[C@@]2(n3cnc4c(NC5CCCCCC5)nc(Cl)nc43)C[C@H]2[C@H]1O	1772626127	OFGOSNGPCLQGJG-LFPKGMGHSA-N	377.876	2.455	0	1	GEAF	
CC(=O)O[C@H]1CCC(C)(C)[C@]2(O)C[C@H](O)[C@H]3[C@@H](C)C4=CC(=O)OC4=C[C@@H]3[C@@]12C	203393708	XQDLWVYAAGRVLS-OFENOJBGSA-N	390.476	2.489	0	1	GEAF	
O=c1cccc2n1C[C@@H]1C[C@H]2CN(S(=O)(=O)c2cccc3cccnc23)C1	2465288	OIEOKUPEFQXURX-ZBFHGGJFSA-N	381.457	2.205	0	1	GEAF	
COc1ccc(OC)c([C@H]2CCN(S(=O)(=O)c3csc(C(N)=O)c3)C2)c1	7006242	JQZRZUDHDULXQX-NSHDSACASA-N	396.490	2.042	0	1	GEAF	
CCn1ccnc1C(=O)Nc1ccc(F)c([C@]2(C(F)F)COCC(N)=N2)c1	113678115	FBNZAZZZKUMSCC-KRWDZBQOSA-N	381.358	2.142	0	1	GEAF	
CC(=O)c1ccc(N2C(=O)[C@@H]3CN(C(=O)C4CCCCC4)CCN3C2=O)cc1	8295640	JXNJAAXCAMXBDN-SFHVURJKSA-N	383.448	2.449	0	1	GEAF	biogenic
O=S1(=O)CCC(Nc2n[nH]c3nc(Oc4ccc(F)cc4F)ncc23)CC1	71340250	RSNJGADWQQUYPJ-UHFFFAOYSA-N	395.391	2.413	0	1	GEAF	
COc1ccc2nc(C)cc(NC(=O)CN3C[C@@H](CN4CCCC4)OC3=O)c2c1	72119819	AXMHXKGKRKVHJQ-MRXNPFEDSA-N	398.463	2.407	0	1	GEAF	
CC[C@]1(O)CC(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cccc(N)c1c2C	49808256	KGRTXSJMAFMDGB-QFIPXVFZSA-N	391.427	2.360	0	1	GEAF	
O=C(NC1CCCCCC1)[C@@H]1[C@@H]2C=C[C@]3(CN(Cc4cccnc4)C(=O)[C@@H]13)O2	195459659	UOCISZFZWYHAPM-JZJXAQOMSA-N	381.476	2.203	0	1	GEAF	
NC(=O)[C@@H]1CCCN(c2ncc(C(=O)N3CCCC3)c(-c3ccc(F)cc3)n2)C1	82139994	ZEPTUTBDAFGDIB-OAHLLOKOSA-N	397.454	2.220	0	1	GEAF	
COc1ccc2c3c1O[C@H]1[C@H](O)C=C[C@@H]4[C@H](C2)N([C@@H]2CCCC[C@@H]2O)CC[C@@]341	194908103	ROOIUTBGPBWDFU-LHESNZBQSA-N	383.488	2.175	0	1	GEAF	
Oc1nc(O)c2ccc(-c3nc(Br)cnc3Br)nc2n1	587367284	VLVMQQQOYQLMON-UHFFFAOYSA-N	399.002	2.418	0	1	GEAF	
CN1C(=O)C[C@H]2CN[C@@]3(CC(C)(C)Cc4c3cnc3ncnn43)c3cccc1c32	963014925	BATVHHHNWJNVNH-XMHCIUCPSA-N	388.475	2.394	0	1	GEAF	
COc1ccc2c(c1)OC(=O)C[C@]21N[C@@H](C(=O)O)Cc2c1cnc1ccccc21	963225011	CRSBZRKCVIAGAJ-GCJKJVERSA-N	390.395	2.395	0	1	GEAF	
COC(=O)c1cc2nc([S@@](=O)Cc3nccc(OC)c3OC)[nH]c2cc1C	11687023	RFJGNWGMCBFYTP-HHHXNRCGSA-N	389.433	2.378	0	1	GEAF	
COc1ccc(N2CCN([C@@H]3CCN(C#N)C3)S2(=O)=O)cc1-c1ccccc1	1857581959	BKRWQIMTTQLXCE-GOSISDBHSA-N	398.488	2.284	0	1	GEAF	
Cn1c(=N[C@@H]2C[C@@H]3CCC[C@H](C2)N3C(=O)OC(C)(C)C)[nH]c2cc[nH]c2c1=O	1857602494	WUNZQLHREXLEQA-BTTYYORXSA-N	387.484	2.416	0	1	GEAF	
N=C(N)c1cccc(OCCNC(=O)c2ccc(C(=O)N3CCCC3)cc2)c1	12354984	XETLZRJNMIQOSN-UHFFFAOYSA-N	380.448	2.015	0	1	GEAF	
COCCS(=O)(=O)N1CCC[C@@H]2CN3CCc4cc(OC)ccc4[C@@H]3C[C@@H]21	13820233	GXTRFXMPHALEIX-UXPWSPDFSA-N	394.537	2.055	0	1	GEAF	
COc1ccc(C[C@]2(O)C(=O)OC[C@@H]2Cc2ccc3c(c2)OCO3)cc1OC	14646937	XQAPIFWFLMEZDZ-YCRPNKLZSA-N	386.400	2.122	0	1	GEAF	biogenic
C[C@@H]1Cc2c(c(O)cc3cc4c(c(O)c23)C(=O)[C@@](C)(O)C(=O)C4(C)C)C(=O)O1	15252629	HWTCLZDFHWHYSX-IJSAXESFSA-N	384.384	2.146	0	1	GEAF	biogenic
O=C(O)Cc1ccc2c(c1)C[C@H](CNS(=O)(=O)c1ccc(Cl)cc1)O2	27331147	CHYQHAXYRFWVMT-CQSZACIVSA-N	381.837	2.249	0	1	GEAF	
c1ccc2[nH]c(CN3CCNCCN(Cc4nc5ccccc5[nH]4)CC3)nc2c1	28357200	DKBVDTXZASJGTI-UHFFFAOYSA-N	389.507	2.347	0	1	GEAF	
COc1ccc(C(C)(C)NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)cc1	28957972	JTGRXWKFTJGJOM-SFHVURJKSA-N	394.493	2.331	0	1	GEAF	
COc1cc2c(cc1O)[C@@H](c1cc(OC)c(O)c(OC)c1)[C@H](CO)[C@@H](CO)C2	33832522	JUJIQKRWLCSYQD-WAWZGNHOSA-N	390.432	2.029	0	1	GEAF	biogenic,in-vitro
CCCCC[C@@H](CC)SC[C@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O	48998187	WXUYKABDZUOGQM-RHRATHSCSA-N	395.529	2.120	0	1	GEAF	
COc1cc(Nc2nc3c(cc2F)ncn3[C@@H](CO)c2ccc(F)cn2)[nH]n1	95579387	HHCLGERVDPIQQT-ZDUSSCGKSA-N	387.350	2.162	0	1	GEAF	
CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@@H](C)NC[C@@H]1C	95679879	CWLHXXSWRNJMCP-IQUTYRLHSA-N	389.496	2.129	0	1	GEAF	
Cc1c(C(=O)NCCc2ccccc2)[n+]([O-])c2cc(C(F)(F)F)ccc2[n+]1[O-]	102052837	XXBINTRRDZMCFP-UHFFFAOYSA-N	391.349	2.406	0	1	GEAF	
Cc1ccnc(Nc2cc3ncn(C)c(=O)c3c(N[C@H]3CC[C@@H](O)CC3)n2)c1	144893356	QZDUDLNQUCZROA-HDJSIYSDSA-N	380.452	2.491	0	1	GEAF	
O=C(Nc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H](C4)[C@H]3C2=O)cc1)Nc1nncs1	150338611	VCYGYGXZDLJGCA-MHWZDGSBSA-N	381.417	2.494	0	1	GEAF	
C[C@@]1(c2ccccc2)CC(=O)N(CC(=O)N2CCN(c3ccccc3)CC2)C1=O	473090751	XISATPMZJCRIPX-QHCPKHFHSA-N	391.471	2.052	0	1	GEAF	
Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2c(Cl)ncnc2[nH]1	587120940	JXRWZXKGISLYDV-UHFFFAOYSA-N	397.748	2.430	0	1	GEAF	
O=C(OCc1ccccc1)N1C[C@H]2Cc3nc4nc(O)nc(O)c4cc3[C@@H]2C1	587558896	VBOQDYMAXKWBBI-IUODEOHRSA-N	378.388	2.344	0	1	GEAF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](CCCNS(C)(=O)=O)N1	587841127	PTQJWLRSKPIDIO-SKDRFNHKSA-N	379.295	2.493	0	1	GEAF	
COCC(=O)N[C@@H]1[C@H](c2ccccc2)N(C(=O)C2CCCCC2)CC[C@]1(C)O	2356527232	ZBTZWOSNBABGPS-VWPQPMDRSA-N	388.508	2.423	0	1	GEAF	
COc1ccccc1N1CCN(CCCNc2ncccc2C(=O)N(C)C)CC1	3825349	MNIPVWNHCWNYRB-UHFFFAOYSA-N	397.523	2.416	0	1	GEAF	
COC(=O)CCCC=CC[C@@H]1C(=O)C[C@H](O)[C@@H]1C=C[C@@H](O)CCC[C@H](C)O	2356330820	BDWABOZEWSSNDO-CBNQQXHVSA-N	382.497	2.310	0	1	GEAF	
O=C(NC1CCCCC1)O[C@@H]1CO[C@@H]2[C@@H](NC(=O)C3CCCCC3)CO[C@H]12	6131128	FQNIFVAEVDNKMA-BSDSXHPESA-N	380.485	2.277	0	1	GEAF	biogenic
O=C(CCCn1ccc(=O)[nH]c1=O)NCC(c1ccccc1)c1ccccc1	84759329	RAXILFXVFUAOGM-UHFFFAOYSA-N	377.444	2.265	0	1	GEAF	
Cc1cc2nc([C@H](C)NS(=O)(=O)c3cnn(C)c3)[nH]c2cc1Br	586940222	XKPLJWCMGYKALZ-VIFPVBQESA-N	398.286	2.407	0	1	GEAF	
COC(=O)c1ccc2nc(-c3cncc(I)c3)[nH]c2n1	587185707	WPCUYBBMDXGRGY-UHFFFAOYSA-N	380.145	2.411	0	1	GEAF	
COc1ccc(S(=O)(=O)N[C@@H](c2nc3cc(Cl)cnc3[nH]2)[C@H](C)O)cc1	586938837	RMSMXPUTVFJJOB-LKFCYVNXSA-N	396.856	2.020	0	1	GEAF	
Nc1c(-c2nnc(S)n2C[C@@H]2CCCO2)nnn1Cc1ccc(Cl)cc1	957884003	SFRLNKALPSPXRD-LBPRGKRZSA-N	391.888	2.288	0	1	GEAF	
CCc1ccc([C@H]2C[C@@H](NC(=O)OC)CN(C(=O)N3CCOCC3)C2)cc1	150015608	UQEUDLUCJBFCMU-ZWKOTPCHSA-N	375.469	2.215	0	1	GEAF	
CC(C)(NC(=O)c1ccc(N2CC(O)C2)c(OCC2CC2)n1)c1nccs1	206695572	MWFXRSRBFNCOQY-UHFFFAOYSA-N	388.493	2.173	0	1	GEAF	
Cc1ccc2cc([C@H]3CC(c4ccccn4)=NN3C(N)=S)c3nnnn3c2c1	1857601412	QAYWPMWPKYUAIH-QGZVFWFLSA-N	388.460	2.376	0	1	GEAF	
COc1cc(OC)c(/C=C/NS(=O)(=O)c2ccc(OC)c(N)c2)c(OC)c1	118311705	NQFDMXMPYKNMQH-BQYQJAHWSA-N	394.449	2.252	0	1	GEAF	in-vivo
NS(=O)(=O)c1ccc(Nc2ncc3cccc(OC4CCNCC4)c3n2)cc1	68087701	RLJFTCSYQKNBPW-UHFFFAOYSA-N	399.476	2.152	0	1	GEAF	
COc1cc(NCC2CCNCC2)nc2c1nnn2-c1cccc(N(C)C)c1	72316408	OBDXCRBDQSNJEP-UHFFFAOYSA-N	381.484	2.302	0	1	GEAF	
COc1cc(-c2cc(=O)c3c(O)c(OC)c(O)c(OC)c3o2)c(O)cc1O	15271580	KVAUVKHVYDKYMY-UHFFFAOYSA-N	376.317	2.308	0	1	GEAF	biogenic
Cn1nc(-c2ccccc2)cc1C(=O)N[C@H](CC(=O)N1CCCCCC1)C(=O)O	473150979	NUYZXVGQLNHQLC-QGZVFWFLSA-N	398.463	2.063	0	1	GEAF	
Cc1oc(CNS(C)(=O)=O)cc1-c1nc2cc(Br)cnc2[nH]1	586944535	LNHNQFQWSCEKQH-UHFFFAOYSA-N	385.243	2.338	0	1	GEAF	
C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc(Cl)c(F)c(F)c2[nH]1	586937903	HBRNYOIBJBQWPK-LURJTMIESA-N	375.788	2.268	0	1	GEAF	
CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@]2(N1)c1cc(OC)ccc1C(=O)C2(O)O	962956933	ZCVVLDDKXXGPRQ-GTJPDFRWSA-N	378.428	2.222	0	1	GEAF	
CC(CF)(CF)n1cc(C(=O)O)c(=O)c2cc(F)c(N3CC[C@H](N)C3)cc21	5835675	BDHDCSJRBGIIAX-JTQLQIEISA-N	383.370	2.030	0	1	GEAF	
CC(C)CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@@H]2C1=C[C@@H](O)[C@@]21CO1	14771146	XIQPIDYOUNZVOS-TTYHFUOFSA-N	380.437	2.091	0	1	GEAF	endogenous,in-man
CN1CCC(SC(=S)NCCCCNC(=O)N=c2cc[nH]cc2)CC1	1857577377	PMELHKMZFMAOHC-UHFFFAOYSA-N	381.571	2.107	0	1	GEAF	
CNC(=S)N(C[C@H]1CCCO1)[C@H]1CC(C)(C)Oc2ccc(C(N)=O)cc21	758474	ONTBQYBGBGEQCC-HIFRSBDPSA-N	377.510	2.373	0	1	GEAF	
CCC(=O)N1CCc2cc(S(=O)(=O)NCCN3CCCC[C@@H]3C)ccc21	4969225	OUMVNHLZZIYJRN-HNNXBMFYSA-N	379.526	2.138	0	1	GEAF	
O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(C(=O)N2CCOCC2)cc1	103187253	QVCIIFQDETZSPL-UHFFFAOYSA-N	389.358	2.399	0	1	GEAF	
CCOc1cc(OCC)nc(NC(=S)NC(=O)c2ccc(Cl)nc2)n1	28566240	MGYUMNOVMOTMMX-UHFFFAOYSA-N	381.845	2.449	0	1	GEAF	
CC=C(C)C(=O)O[C@@H]1CC[C@]2(O)C[C@]3(O)OC(=O)C(C)=C3[C@H](OC)[C@@]2(C)[C@@H]1C	2356643698	BRTZMHHJAMJVLW-XFXCOGQTSA-N	394.464	2.012	0	1	GEAF	
NS(=O)(=O)c1ccc(NC(=O)c2cc(NC3CCCCC3)ncn2)cc1	49054558	LJJNUBSNBNTKCH-UHFFFAOYSA-N	375.454	2.121	0	1	GEAF	
Cc1cnc(CNc2nc(C(F)(F)F)nc3c2nnn3C[C@H]2CCCO2)cn1	84690273	KIIJQINWUNGPKL-LLVKDONJSA-N	394.361	2.130	0	1	GEAF	
COC[C@H]1CCCN1c1cc(NC(=O)NC(C)C)nc(-n2nc(C)cc2C)n1	40934923	MTZHACHOHNFIFR-OAHLLOKOSA-N	387.488	2.424	0	1	GEAF	
CO[C@H]1CCC[C@H]([C@H](C)Nc2nc(N3CCC(C(N)=O)CC3)ncc2C)C1	82203968	RDIGOLSUIFLSDB-XIRDDKMYSA-N	375.517	2.492	0	1	GEAF	
CC(=O)O[C@H]1[C@@]2(C)C=C[C@@]13[C@@H](O)C[C@@H]1[C@@](C)(CO)[C@H](O)CC[C@@]1(C)[C@@H]3CC2	238769434	SDTBVAOPLRNVMA-LXWRTJFDSA-N	378.509	2.431	0	1	GEAF	
CC(C)(CO)NC(=O)c1c[nH]c2ncc(-n3ncc4ccc(Cl)cc43)nc12	95602641	DLZNMCBJFXGZOW-UHFFFAOYSA-N	384.827	2.451	0	1	GEAF	
CCOC(=O)C1(C(=O)OCC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	587597822	RZSRDJUREHWHSZ-OAHLLOKOSA-N	386.356	2.219	0	1	GEAF	
Oc1nc2cc3nc(-c4nccnc4I)[nH]c3cc2[nH]1	587185834	AJUDQQPFYZABSD-UHFFFAOYSA-N	378.133	2.206	0	1	GEAF	
Oc1nc(O)c2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c2n1	586998443	KAMXBDZNXZHGTC-UPHRSURJSA-N	377.154	2.426	0	1	GEAF	
NCCOCc1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1	587245763	FAYTURNIHLDIEZ-UHFFFAOYSA-N	380.857	2.492	0	1	GEAF	
O=C1NC(=O)[C@]2(CCc3nc4ccc(O)c5c4c(c3C2)-c2ccccc2C5=O)N1	586990129	VNPVOFTVWLRGBB-JOCHJYFZSA-N	385.379	2.219	0	1	GEAF	
COC(=O)c1cccc2c1NC(=O)[C@@]21NCCc2cnc3c(OC)cccc3c21	963048885	ULQXPWHBQYLDKA-JOCHJYFZSA-N	389.411	2.371	0	1	GEAF	
O=C([C@@H]1CCCN(c2ccc3nc(Cn4cccn4)[nH]c3n2)C1)N1CCCC1	1772641788	XNOZVIRWRQJSSS-OAHLLOKOSA-N	379.468	2.042	0	1	GEAF	
NS(=O)(=O)c1ccc([C@@H](Nc2ncccn2)C(=O)c2ccc(F)cc2)cc1	13588958	DNEWXQXCFOLYTG-MRXNPFEDSA-N	386.408	2.299	0	1	GEAF	
COCCCc1ccc2c(c1)[C@@]1(N=C(N)N(C)C1=O)C1(CCC(OC)CC1)C2	201233005	ZSHKNUGFUFEMNT-IVXJCAOYSA-N	385.508	2.379	0	1	GEAF	
COC(=O)c1csc(N2CCC(OC(=O)N3CCN(C(C)C)CC3)CC2)n1	207233964	XLGUJQFMICUVQC-UHFFFAOYSA-N	396.513	2.061	0	1	GEAF	
O=C(NC1CCCCC1)[C@@H]1CCCN(S(=O)(=O)c2cccc3nonc23)C1	2469241	OARUZXDNZSVZKT-CYBMUJFWSA-N	392.481	2.072	0	1	GEAF	
COc1cc(S(=O)(=O)n2c(C)c(CC(=O)O)c3cccnc32)ccc1C#N	117592651	DIQRXZWSBCYLQK-UHFFFAOYSA-N	385.401	2.089	0	1	GEAF	
C/N=c1\c(O)c(O)\c1=N/C/C=C\COc1csc(CN2CCCCC2)c1	29482776	LGKFPNRULAFIGX-HXVIDEAFSA-N	375.494	2.087	0	1	GEAF	
COc1cc(C=O)ccc1OC[C@@](O)(Cn1cncn1)c1ccc(F)cc1F	72116239	JTCIPJUGGQOEFY-IBGZPJMESA-N	389.358	2.344	0	1	GEAF	
O=C(Nc1cccc(Cl)c1)N[C@@H]1CC[C@@H](CCNC(=O)C2CC2)O[C@H]1CO	95904258	JUGQZOVOVDNIIT-BBWFWOEESA-N	395.887	2.286	0	1	GEAF	
CN(C)CCc1cc2c(cc1C(=O)[C@H]1O[C@H](O)c3c1ccc1c3OCO1)OCO2	238772672	KZBMUCKOVJMMQM-FPOVZHCZSA-N	399.399	2.193	0	1	GEAF	
CC(=O)O[C@]1(C)C(=O)O[C@H]2[C@@H]3C(C)=CC[C@@H]3[C@@](C)(O)C[C@H](OC(=O)C(C)C)[C@H]21	238777153	CPFDFMRUEQZXHU-DXVUAXGJSA-N	394.464	2.155	0	1	GEAF	
Cc1nc(Nc2cnccn2)cc(-c2c(Nc3cc[nH]n3)nc3cccnn23)n1	95554109	ABQRVDGZZXHLLT-UHFFFAOYSA-N	385.395	2.495	0	1	GEAF	in-vitro
N#CN1CC[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CCc2ccccc2)C1	621431715	ZFVRTHFTOHEDLQ-RTWAWAEBSA-N	390.487	2.018	0	1	GEAF	
C[C@@H]1CN(c2cc(-c3cnc(N)c(OC(F)F)c3)nc(N3CCC3)n2)CCO1	653684773	OJBFFEPIYJTNCC-LLVKDONJSA-N	392.410	2.157	0	1	GEAF	
O=C(O)[C@H]1Cc2cccc(OC(F)(F)F)c2[C@@H](c2cncc3c2NCCO3)N1	962628734	FRWHVPOUHWDXIE-BDJLRTHQSA-N	395.337	2.473	0	1	GEAF	
COc1ccc(OC)c2c1C[C@@H](C)N[C@@]2(C)c1ccc(-[n+]2cc(=O)o[nH]2)cc1	963636463	RBJVPRYJQKHEMP-ASSNKEHSSA-O	382.440	2.060	0	1	GEAF	
Cc1cc(Nc2nc(C(=O)N3CCNC[C@@H]3C)nc3ccc(Cl)cc23)n[nH]1	1772581231	REYHGZRMWPEZMQ-NSHDSACASA-N	385.859	2.492	0	1	GEAF	
CN(C[C@@H]1COCCO1)C(=O)c1cc(COc2ccc3ncccc3c2)on1	15061906	WNBVLAGPHUFAHV-QGZVFWFLSA-N	383.404	2.289	0	1	GEAF	
COCCn1ccc2nc(C)c(C(=O)Nc3ccc(C(=O)OC)cc3)cc2c1=O	9686134	YRDIWGDENXVTMD-UHFFFAOYSA-N	395.415	2.390	0	1	GEAF	
O=C(Cc1cccs1)N[C@@H]1CO[C@@H]2[C@H]1OC[C@H]2n1cc(-c2ccccc2)nn1	2356836493	LBCMWAWSWDTUFN-JYBIWHBTSA-N	396.472	2.073	0	1	GEAF	
N#Cc1cc(-c2ccnc(Nc3cccc(=O)[nH]3)n2)cnc1N1CC[C@H](F)C1	221004965	VETBWYSGFIOLHB-AWEZNQCLSA-N	377.383	2.390	0	1	GEAF	
O=C(c1cccc(F)c1)N1CCN2C(=O)N(CCc3cccs3)C(=O)[C@@H]2C1	25433804	WRYLVRWWIUAYLJ-INIZCTEOSA-N	387.436	2.219	0	1	GEAF	biogenic
CCC(=O)N1[C@H](CO)[C@H](c2ccc(-c3ccccc3)cc2)[C@H]1CNC(=O)COC	95866469	NZQVWEYIOJOZRO-TXTKFYIRSA-N	396.487	2.182	0	1	GEAF	
Cc1nc(O)c(I)cc1-c1ccc2c(O)nc(O)nc2n1	587369939	RVXIJPUOZIRWKH-UHFFFAOYSA-N	396.144	2.117	0	1	GEAF	
CCOC(=O)C1CCN(C(=O)C[C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)CC1	587395514	NMUZZJXOXYMAKK-NRFANRHFSA-N	388.464	2.493	0	1	GEAF	
CCCCS(=O)(=O)N[C@@H](c1nc2ccc(S(C)(=O)=O)cc2[nH]1)C(C)C	586933225	NWERWXFIYHGHGH-OAHLLOKOSA-N	387.527	2.383	0	1	GEAF	
O=C(NC1CC1)C1=C[C@@H](c2ccc3c(c2)OCO3)C[C@@H](OCCCCO)O1	13657373	NHNXIVMWPWEXNC-KUHUBIRLSA-N	375.421	2.197	0	3	GEAF	
Cc1occc1C(=O)Nc1cnn(CC(=O)N(C)C[C@H](O)c2ccccc2)c1	14881475	CVDYSZJTERICOT-SFHVURJKSA-N	382.420	2.229	0	1	GEAF	
C[C@H]1C[C@@](C)(O)[C@@H]2[C@@]3(C)CCC[C@@]2(COC3=O)[C@@]12CC[C@@]1(CCOC1=O)O2	17039971	SXRSWIKTOZHQDT-VWNMWJBESA-N	378.465	2.362	0	1	GEAF	
O=C(N[C@H]1CCCC[C@@H]1O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1	207732897	QAJNYQOTASUETI-BBRMVZONSA-N	381.423	2.359	0	1	GEAF	
Cc1ccccc1N1CCN(C(=O)C[S@@](=O)Cc2c(C)noc2C)CC1	1857541323	TZCJHPQHEHWFTO-SANMLTNESA-N	375.494	2.197	0	1	GEAF	
C[C@H]1CC(O)=C(C(=O)NCC(=O)O)C(=O)N1Cc1ccc(-c2ccccc2)cc1	1857638267	HJHXQTOAQZMTEL-AWEZNQCLSA-N	394.427	2.487	0	1	GEAF	
N=C1NC[C@@H](Cc2cc(Br)c(N)c(Br)c2)C(=N)N1	13757770	HXFKRMZVXALBOK-ZCFIWIBFSA-N	375.068	2.057	0	1	GEAF	
O=C(Nc1ccccc1)NC1CCN(C[C@@H](O)[C@@H]2COc3ccccc3O2)CC1	27995166	YPADFKNTEDLJBH-NQIIRXRSSA-N	397.475	2.473	0	1	GEAF	
O=C(NC[P@](=O)(O)N[C@@H](C(=O)O)c1ccccc1)OCc1ccccc1	29401422	ZADLVIBJJBUVKB-OAHLLOKOSA-N	378.321	2.471	0	1	GEAF	
CN(CC[C@@H]1CC[C@H](O)[C@@H](C(=O)NC2CCCCC2)O1)Cc1cccnc1	30878886	RVSVDDLHJYAACK-UFYCRDLUSA-N	375.513	2.261	0	1	GEAF	biogenic
CN(C)C(=O)[C@@]1(Cc2ccccc2)COC(c2ccc(OCCCO)cc2)=N1	36375812	WIVQHKPOCVPJSN-JOCHJYFZSA-N	382.460	2.294	0	1	GEAF	
COC[C@H]1CCCN1CCCOc1ccc(C(=O)CN2CCOCC2)cc1	82149507	NXDIBXSCMJUVAU-LJQANCHMSA-N	376.497	2.081	0	1	GEAF	
COc1ccc(-c2cc(NC(=O)CCCCN3CCNC(=O)CC3)n[nH]2)cc1	84741281	VDQDOBJGSUGYMM-UHFFFAOYSA-N	385.468	2.016	0	1	GEAF	
O=C(CC1CC1)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2CC1CCOCC1	95794164	KVJINFOJQOHVHI-IFMALSPDSA-N	384.520	2.254	0	1	GEAF	
O=C(CSC(=S)N[C@H]1CCOC1=O)Nc1ccc(Br)cc1	96929086	RZBUFXZOSBTPFN-JTQLQIEISA-N	389.296	2.311	0	1	GEAF	
CC(C)(Oc1ccccc1)C(=O)N[C@@H]1[C@H]2CC3C[C@@H]1C[C@@](S(N)(=O)=O)(C3)C2	101102454	RJFGXRMIXRFUOJ-QDZYNAETSA-N	392.521	2.196	0	1	GEAF	
COC(=O)[C@]1(C)N[C@@H](c2cccc(C)c2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21	169366210	HURDXSBWLXXHCS-QSNWEANLSA-N	378.428	2.377	0	1	GEAF	
Cc1cccc([C@H]2C[C@@H]2COc2cc(NCc3cc(C)nn3C)c(=O)n(C)n2)n1	221925473	DEVONHAPCDRFDN-WBVHZDCISA-N	394.479	2.320	0	1	GEAF	
N[C@H](C(=O)N1C[C@@H](F)[C@H](F)C1)[C@H]1CC[C@H](NC(=O)OCc2ccccc2)CC1	253991663	PKKRAIPZCYLNRN-ZKXLYKBJSA-N	395.450	2.317	0	1	GEAF	
[C-]#[N+]c1ccc(C(=O)Nc2ccc(F)c([C@]34COC[C@@]3(F)COC(N)=N4)c2)nc1	261091020	DMJSMZBBMSPGKV-RTBURBONSA-N	399.357	2.302	0	1	GEAF	
CC[C@H](C)NC(=O)c1cnc(N2CCC[C@@H](C(N)=O)C2)nc1-c1ccccc1	299873773	AHQMAYZQGXMKMS-GOEBONIOSA-N	381.480	2.374	0	1	GEAF	
CCN(CC)S(=O)(=O)c1cccc(-c2nc3ccc(-n4cnnn4)cc3[nH]2)c1	586931264	ZPLXKASAZYTQJB-UHFFFAOYSA-N	397.464	2.236	0	1	GEAF	
COc1ccc(-c2nc3ncc(C(N)=O)c(NCC4CCN(C)CC4)c3[nH]2)cc1	653795827	OUSJHAGZMDHNGK-UHFFFAOYSA-N	394.479	2.486	0	1	GEAF	
O=C1NCC2(CCOCC2)[C@]12NC1(CC1)Cc1ccc(Br)cc12	961616982	SINOUUFNYUCRIM-GOSISDBHSA-N	377.282	2.249	0	1	GEAF	
COCC(=O)N1CC[C@](C)(O)[C@H](NC(=O)c2ccccc2)[C@@H]1c1cccs1	2356289368	UTJAPVYMFGRFGU-NSHGMRRFSA-N	388.489	2.218	0	1	GEAF	
C[C@H]1C[C@H](C)CN(CCCNC(=O)Cn2[nH]cc3c4ccccc4nc-3c2=O)C1	15943234	ALPZDKBCEAOYOF-HOTGVXAUSA-N	395.507	2.314	0	3	GEAF	
Cc1ccc(NC(=O)c2ncn(CCCNCCCN3CCCC3=O)n2)cc1C	61936042	GTMZNNGQACWABM-UHFFFAOYSA-N	398.511	2.139	0	3	GEAF	
CCC[C@H]1C(=O)c2nc(CCCCN3N=C(Cl)CCC3=O)[nH]c2N(C)C1=O	100034569	YUGXYSSLOLZSHB-NSHDSACASA-N	393.875	2.483	0	1	GEAF	
COCCNC(=O)[C@@]1(C)CCN(C(=O)c2cccnc2Oc2ccccc2)C1	61907314	ONEXJTIJKQTPOC-NRFANRHFSA-N	383.448	2.489	0	3	GEAF	
COc1ccc([C@@H]2C[C@H](O)[C@H](O)[C@H]2NC(=O)c2nc3ccccc3s2)cc1	2356306028	AFOKJUAAOYMUDZ-IKICRFKJSA-N	384.457	2.313	0	1	GEAF	
CC(C)C[C@@H](CC(=O)O)NC(=O)[C@@H]1CCCN(C(=O)CCC2CCNCC2)C1	26467698	LZPPYUNNJYIBTG-MSOLQXFVSA-N	395.544	2.010	0	1	GEAF	
COc1cccc(-c2nc(SC)nc3sc(C(=O)NCCO)c(N)c23)c1	40565359	KYMXUEHVSOENHN-UHFFFAOYSA-N	390.490	2.393	0	1	GEAF	
O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2CC2CCCCC2)O1)NCC1CC1	95885629	BDMSGZPXHUILRR-NCYKPQTJSA-N	394.556	2.092	0	1	GEAF	
CCC(=O)N1[C@@H](CO)[C@@H](c2ccccc2)C12CN(C(=O)Cc1ccccc1)C2	95794353	SBZGQFBMAWKVMC-SIKLNZKXSA-N	378.472	2.207	0	1	GEAF	
O=C(CN1C(=O)[C@@H]2C[C@@H](O)CN2C(=O)c2ccccc21)c1ccc(Cl)cc1	96917687	AFIZAQBIZYKOPD-PBHICJAKSA-N	384.819	2.145	0	1	GEAF	
CNS(=O)(=O)c1ccc(OCC2CC2)c(-c2cn(C)c(=O)c3[nH]ccc23)c1	146732278	CBRIFNYWDOSBDS-UHFFFAOYSA-N	387.461	2.231	0	1	GEAF	
O=c1cc(C2=C(c3ccc(F)cc3)NC(=c3ccc(=C4N=NN=N4)cc3)N2)cc[nH]1	377428797	QJZDPXOHQPONNI-UHFFFAOYSA-N	399.389	2.197	0	1	GEAF	
CC[C@]12C=CC(=O)N3CC[C@]4(C(=C(C(=O)OC)C1)Nc1cc(OC)c(O)cc14)[C@@H]32	40973126	AMYRFECRZHSHRT-FKBYEOEOSA-N	396.443	2.462	0	1	GEAF	biogenic,in-vitro
COc1ccccc1CC(=O)Nc1c[nH]nc1C(=O)N[C@H]1CC[C@H](OC)CC1	299825534	YTFORVXPFIUVAF-SHTZXODSSA-N	386.452	2.287	0	1	GEAF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)O)(c2csc(N)n2)N1	587853332	PXPLVKJXZCNLGY-RCNPXXIZSA-N	386.246	2.489	0	1	GEAF	
C[C@@]1(CC(=O)NCC(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	587337404	OCFSBRZBFYANHU-QUCCMNQESA-N	387.363	2.240	0	1	GEAF	
CCCc1c(O)ccc2c1OC1(CCN(CCN3CCOCC3)CC1)CC2=O	587475936	RDXLIQRAJUSKSI-UHFFFAOYSA-N	388.508	2.477	0	1	GEAF	
CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3nc(C(=O)OC)ccc3[nH]2)cc1	586937502	FPOOVZIYLLLMEQ-LLVKDONJSA-N	388.449	2.488	0	1	GEAF	
COc1cc2c3c(c1)O[C@H]([C@H](c1nc4ccccc4[nH]1)S(C)(=O)=O)[C@@H](C2)C3=O	587447761	FMHHOSCQOCEALB-YXKWSERDSA-N	398.440	2.473	0	1	GEAF	
CC(=O)N1CCN(C(=O)CCN2Cc3cc(Cl)ccc3O[C@@H](C)C2)CC1	11839479	JGFUPMWPVLRBJY-AWEZNQCLSA-N	379.888	2.004	0	1	GEAF	
CCn1cc(C(=O)O)c(=O)c2c(N)c(F)c(N3C[C@H](C)N[C@H](C)C3)c(Cl)c21	13649655	QAJCKEBMJSQGHD-DTORHVGOSA-N	396.850	2.281	0	1	GEAF	
CS(=O)(=O)Nc1cc(C(=O)CC[C@@H]2C(=O)C3CCN2CC3)ccc1Cl	26377591	SWLGJVSHUXGCTL-OAHLLOKOSA-N	384.885	2.338	0	1	GEAF	
CN(C)CCCNC1=C2C(=N[C@@H]3C=CC(C(=O)O)=C[C@@H]23)N(C)c2ccccc21	103165882	HGPMOFFVHNVOOV-IAGOWNOFSA-N	378.476	2.367	0	1	GEAF	
CCNc1nc2cc(OC)c(Cl)cc2nc1NCCN1CCN(C)CC1	115765737	CSJQTHDEHLCRBS-UHFFFAOYSA-N	378.908	2.383	0	1	GEAF	
O=C(Nc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H](C4)[C@@H]3C2=O)cc1)Nc1nncs1	150338612	VCYGYGXZDLJGCA-JYILRKAJSA-N	381.417	2.494	0	1	GEAF	
COC(=O)[C@@]1(C)N[C@@H](c2ccc(F)cc2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21	169294130	MMTCGVFQEZEANG-VWXURSGXSA-N	382.391	2.208	0	1	GEAF	
O=C([C@@H](Cc1ccccc1)N1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O)N1CCCCC1	169305535	IDCWDQHGUQYPDN-IVDHNXQLSA-N	378.472	2.417	0	1	GEAF	
Cc1ccc(C(=O)COC(=O)CCN2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@@H]54)[C@H]3C2=O)cc1	169693330	QRDAQKFOOJDULX-AYUOOJHXSA-N	393.439	2.164	0	1	GEAF	
CC[C@H](C(=O)N1CCN(c2ccccc2C(F)(F)F)CC1)N1C(=O)CCC1=O	473133380	ZBRSLVPETOHUHD-CQSZACIVSA-N	397.397	2.282	0	1	GEAF	
C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc(C(F)(F)F)cnc2[nH]1	586957582	CDAGSZJIOUOEIZ-CQSZACIVSA-N	386.355	2.446	0	1	GEAF	
COc1cc2c3c(c1)OC1(CCN(c4ncnc5c4cnn5C)CC1)[C@@H](C2)C3=O	587435034	CTWWJBIDOHIOSK-HNNXBMFYSA-N	391.431	2.159	0	1	GEAF	
Cc1nonc1CC(=O)N1CCC[C@@H](Cc2cc(-c3c(C)noc3C)ncn2)C1	618016863	GPKCJFGWGMKUJQ-HNNXBMFYSA-N	396.451	2.464	0	1	GEAF	
COCCN1C(=O)c2cc(-c3nc(Nc4ccnn4C)ncc3C)cn2C[C@@H]1C	1772584764	MLMCYOUMLZXVEE-AWEZNQCLSA-N	395.467	2.221	0	1	GEAF	
O=C(Nc1ncnc2[nH]cnc12)c1ccc(-c2ccccc2-c2nn[nH]n2)cc1	1857549191	JYIKACGMMOOFAF-UHFFFAOYSA-N	383.375	2.452	0	1	GEAF	
N=C(N)c1ccc(C[C@H]2OB(O)c3cc(F)ccc32)cc1OCc1cccnc1	1857594569	OPVLRSNIYJHUNK-HXUWFJFHSA-N	391.211	2.085	0	1	GEAF	
NC(=O)c1cc(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)cs1	6859495	ZCTZTDMYYSRCJZ-UHFFFAOYSA-N	385.898	2.011	0	3	GEAF	
COc1ccc(C(=O)N2CCn3c(nnc3C(=O)NC3CCCCC3)C2)cc1	205218272	INNUQYRANAETOE-UHFFFAOYSA-N	383.452	2.005	0	3	GEAF	
Nc1ccccc1N1C(=O)c2ccccc2[C@]1(O)c1ccc2c(c1)NC(=O)CO2	59203454	HGKZDQUOOVLCDL-JOCHJYFZSA-N	387.395	2.454	0	1	GEAF	
CCO/C(O)=C1\C(C)=Nc2nnnn2[C@@H]1c1cc(OC)c(OC)c(OC)c1	104026336	HWLHRZSJQOTXNG-LBFFYKKLSA-N	375.385	2.200	0	1	GEAF	
COC(=O)c1ccccc1NC(=O)CCn1c(=O)c2cccn2c2cccnc21	8588902	FKOOTNUHIBLAPG-UHFFFAOYSA-N	390.399	2.465	0	1	GEAF	
CCC(=O)N1[C@H](CO)[C@H](c2ccc(C3=CCCC3)cc2)C12CN(C(=O)COC)C2	95668582	ZKLGVBVCRZSXBT-KNQAVFIVSA-N	398.503	2.178	0	1	GEAF	
COC(=O)[C@@H]1C[C@@]23C4=C(CC[C@@H]5CN6C[C@H](C)[C@@H](CC[C@@]52CO)[C@]63O)CC[C@@H]41	238736651	GZPYJGXSOJGYKK-XETZOPEFSA-N	387.520	2.325	0	1	GEAF	
CC[C@]1(C)NC(=O)c2cc(S(=O)(=O)N(C)c3ccccc3)ccc2NC1=O	96258740	NQSMOCNVMGUHFS-IBGZPJMESA-N	387.461	2.362	0	1	GEAF	
NS(=O)(=O)Cc1ccc(-c2nc3c(O)c(Br)ccc3[nH]2)cc1	586931345	RLTNMIPFZREUBO-UHFFFAOYSA-N	382.239	2.487	0	1	GEAF	
O=S1(=O)CCCN1C[C@@H](O)Cn1c2ccc(F)cc2c2ccc(F)cc21	148447518	VCMUADMLMLKFTG-CQSZACIVSA-N	380.416	2.469	0	1	GEAF	
CC(=O)N1CCC[C@H](Oc2cncc(-c3cnc4c(c3)CCCN4C(N)=O)c2)C1	1772587148	SMFNQUMRBUIZKJ-SFHVURJKSA-N	395.463	2.365	0	1	GEAF	
CN1C(=O)C2=C(C1=O)N(CC(=O)Nc1ccc(-c3ccncc3)cc1)CCC2	1772597014	YKFLAATTWDAJIP-UHFFFAOYSA-N	376.416	2.036	0	1	GEAF	
CC(C)N(Cc1ccccc1)C[C@H](O)COc1cccc2c1C[C@H](O)[C@H](O)C2	169319489	AMIBDMFOEUKMCC-NNWRFLSQSA-N	385.504	2.157	0	1	GEAF	
CC(=O)O[C@H]1C[C@@]2(C)[C@H](CC(=O)c3ccoc3)[C@@H](C)C(=O)C[C@@H]2[C@H](CO)[C@H]1O	1586874	XFOMLTRQAZEPGO-BWWPLTMHSA-N	392.448	2.005	0	1	GEAF	
Cc1ccc(CN2C[C@@]34C=C[C@H](O3)[C@H](C(=O)NCc3ccco3)[C@@H]4C2=O)cc1	100488077	RWKZFNODIXGMSY-PSHVLCQKSA-N	378.428	2.186	0	1	GEAF	
COc1cccc(N(C)CCOc2ccc(C[C@@H]3SC(=O)NC3=O)cc2)n1	27319601	IKRUMJKGZUAHGQ-HNNXBMFYSA-N	387.461	2.500	0	1	GEAF	
N[C@H](C(=O)N1CCCC1)C1CCC(NC(=O)c2cncc3ccccc23)CC1	27521138	ZYVUFELPRWRHOR-LAGYLCCXSA-N	380.492	2.473	0	1	GEAF	
O=c1[nH]c2ccsc2c(=O)n1CCN1CCN(c2ccccc2Cl)CC1	29476753	YFFRAGSTOBAQHL-UHFFFAOYSA-N	390.896	2.227	0	1	GEAF	
CC(C)Nc1nc(-c2cncc(CN3CCOCC3)c2)cc2ncn(C)c(=O)c12	115624817	ODQXKQAMAKAYHN-UHFFFAOYSA-N	394.479	2.043	0	1	GEAF	
COC(=O)[C@@H]1C[C@@]23C4=C(CC[C@@H]41)CC[C@H]1CN4C[C@H](C)[C@](O)(CC[C@@]12CO)[C@H]43	2356683934	HGIXVDMBHFEREO-WYNBNXNXSA-N	387.520	2.120	0	1	GEAF	
NC(=O)CC[C@H]1C(=O)C[C@@H](Nc2ccccc2)c2nc3ccccc3c(=O)n21	2356788180	WLUVMRPCQHOBCZ-SJORKVTESA-N	376.416	2.329	0	1	GEAF	
CN1CCN(c2ccc3[nH]c(-c4c(O)nc5ccccc5c4N)nc3n2)CC1	36176832	ARXCFPVKEORMCL-UHFFFAOYSA-N	375.436	2.213	0	1	GEAF	
O=C1c2ccccc2[C@@H](c2nnnn2-c2ccc3c(c2)OCCO3)N1C1CC1	199224956	LPZLKJYJGJLRQQ-SFHVURJKSA-N	375.388	2.141	0	3	GEAF	
C=CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ncccc3C)CC2)cc1	84731048	LXGRQANYXIETIX-UHFFFAOYSA-N	386.477	2.025	0	1	GEAF	
CS(=O)(=O)N1CCc2c(ccc(-c3nc4cc5cn[nH]c5cc4[nH]3)c2N)C1	586955995	XYRLEXSECUDODO-UHFFFAOYSA-N	382.449	2.006	0	1	GEAF	
COC(=O)[C@@H]1C(C)(C)CC(=O)C[C@@]12N[C@H](C(=O)O)Cc1c2cnc2ccccc12	963219029	CLISDJAYXDCIGB-SVMVAKDDSA-N	396.443	2.207	0	1	GEAF	
CN[S@]1(O)C[C@@](C)(c2cc(NC(=O)COC)ccc2F)NC(=N)C1(C)C	1772622905	BMGUQHAOKLWIFB-KRWDZBQOSA-N	386.493	2.397	0	1	GEAF	
CCNC(=O)c1ccc2cc(CCc3c(O)nc(O)nc3C(=O)O)ccc2c1	1772589096	ZBVYPOPKYRNDBE-UHFFFAOYSA-N	381.388	2.274	0	1	GEAF	
Cn1c(=O)n(CCCCCC(=O)Nc2ccccc2N)c(=O)c2ccccc21	13588628	SMAYWZHSKYXLTQ-UHFFFAOYSA-N	380.448	2.482	0	1	GEAF	
CCCCc1cc2c(cn1)=C(OC(=O)c1ccco1)[C@](C)(OC(=O)CC)C(=O)C=2	13817664	ZGCJQSUYSRNSPP-JOCHJYFZSA-N	397.427	2.058	0	1	GEAF	
CCc1ncc(CN[C@H]2CC(C)(C)Cc3nc(N4CCOCC4)ncc32)cn1	14956541	XDQNALOKWPTNKT-KRWDZBQOSA-N	382.512	2.469	0	1	GEAF	
CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H]2CCC[C@@H](C)[C@H]2C)cc1	15791526	FHMSVWIMVUGZCW-LBTNJELSSA-N	395.525	2.206	0	1	GEAF	
O=C(NCc1ncc(S(=O)(=O)c2ccccc2)cn1)c1cc2ccncc2o1	206007695	OISRJPBZPITEKX-UHFFFAOYSA-N	394.412	2.381	0	1	GEAF	
COc1cc([C@H](OC)[C@@H](CO)Oc2ccc(CCCO)cc2OC)ccc1O	205667453	YTOZANXGUBLEJM-RTWAWAEBSA-N	392.448	2.462	0	1	GEAF	
Cc1ccc(NC[C@H](O)CN2CCN(c3cccc4c3CCC(=O)N4)CC2)cc1	1857543698	KOUVEESEULXKKP-IBGZPJMESA-N	394.519	2.475	0	1	GEAF	
COc1ccc(OCCN2CCN(C(=O)c3cc4cccnc4[nH]3)CC2)cc1	205942791	KWKXRMCRBPRGNX-UHFFFAOYSA-N	380.448	2.408	0	1	GEAF	
COc1cc2c(cc1OC)[C@@H](C(=O)NC[C@@H]1CCCO1)[C@H]1CCCCN1C2=O	4563956	XTGIYWNPRRNBIB-URKNILKWSA-N	388.464	2.091	0	1	GEAF	
CCCCc1cc2c(cn1)=C(OC(=O)C1CCCC1)[C@@](C)(OC(=O)CC)C(=O)C=2	13817773	SPHISGNOCUBVKK-QHCPKHFHSA-N	399.487	2.341	0	1	GEAF	
CCCCCNC(=N)c1ccc(C2=NO[C@H](CC(=O)NCCC(=O)O)C2)cc1	13906971	SECNBFOAVBDGBV-INIZCTEOSA-N	388.468	2.266	0	1	GEAF	
C[C@@H](N[C@@H](CCc1cccc2ccccc12)C(=O)O)C(=O)N1CCC[C@@H]1C(=O)O	26852088	CTHFSMGTKMPAKM-MDASCCDHSA-N	398.459	2.279	0	1	GEAF	
O=C1c2c(c3n(c(=O)c2O)CCCC3)C(=O)N1Cc1ccc(F)c(Cl)c1	71319071	OEZAPPGGKZESBO-UHFFFAOYSA-N	376.771	2.479	0	1	GEAF	
O=C1c2cc3c(cc2OCN1C[C@H](O)c1ccccc1)C(=O)N1CCC[C@@H]1O3	72124943	LIXIVCSGPSXRLV-LPHOPBHVSA-N	380.400	2.167	0	1	GEAF	
NS(=O)(=O)c1ccc(CCNc2ccc3nnn(-c4ccccc4)c3n2)cc1	84567171	RSZIRTDYAUGAIW-UHFFFAOYSA-N	394.460	2.118	0	1	GEAF	
C/C=C(/C)C(=O)O[C@H]1CC[C@]2(O)C[C@]3(O)OC(=O)C(C)=C3[C@@H](OC)[C@]2(C)[C@H]1C	95909471	BRTZMHHJAMJVLW-RLFRVHPPSA-N	394.464	2.012	0	1	GEAF	biogenic,in-vitro
COc1cc2c(cc1OC)[C@]13CCN4C=C5CCO[C@@H]6CC(=O)N2[C@@H]1[C@H]6[C@@H]5C[C@H]43	195409925	BUQWXEFUPCTDBF-MXQHSAPPSA-N	394.471	2.457	0	1	GEAF	
CC(=O)OCC1=C2[C@@H](OC(C)=O)CC(C)=C=CCC[C@@]3(C)O[C@@H]3[C@H]2OC1=O	238736021	PSWDDMNIUWSZJJ-HOLVHFDSSA-N	376.405	2.146	0	1	GEAF	
Oc1nc(O)c2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c2n1	586998442	KAMXBDZNXZHGTC-OWOJBTEDSA-N	377.154	2.426	0	1	GEAF	
COc1cc(-c2nc3ccc(C(N)=O)cc3[nH]2)ccc1OCC(=O)NC(C)C	587223762	NKALKUXKIIOHAO-UHFFFAOYSA-N	382.420	2.241	0	1	GEAF	
C[C@H](CCc1ccccc1)NC(=O)C[C@@H]1C(=O)N[C@@H](c2ccccn2)N[C@@H]1C	618014178	JBZLZGCJZKLIRS-RDBAUFEQSA-N	380.492	2.332	0	1	GEAF	
CC(C)(C)C(=O)N1CC[C@H](CC(=O)O)[C@H](CCN2CCC(C(=O)O)CC2)C1	2356851700	QITHQAWJSYCRMU-HZPDHXFCSA-N	382.501	2.159	0	1	GEAF	
CC(=O)O[C@@H]1CCC(C)(C)[C@]2(O)C[C@H](O)[C@@H]3[C@H](C)C4=CC(=O)OC4=C[C@@H]3[C@@]12C	2356477483	XQDLWVYAAGRVLS-XSLHTGRKSA-N	390.476	2.489	0	1	GEAF	
Cc1sc2ncnc(N3CCC(C)CC3)c2c1S(=O)(=O)N1CCOCC1	4563244	RMPYLJZDHHXOJE-UHFFFAOYSA-N	396.538	2.257	0	1	GEAF	
Cc1noc(C)c1Cn1cc(N2C(=O)[C@H]3Cc4ccc(O)cc4CN3C2=O)cn1	115733733	GKWMOIYKDBXPST-GOSISDBHSA-N	393.403	2.135	0	1	GEAF	
O[C@H](c1ncco1)[C@@H]1CCCN(c2ncnc3cc(N4CCOCC4)ccc23)C1	199440540	JWEMHIXXACOGKY-BEFAXECRSA-N	395.463	2.404	0	1	GEAF	
COc1ccc2nc(/C=C/c3ccc(O)c(OC)c3)c(=O)n(CC(=O)O)c2c1	1772634700	RXJXFYYNSASIBG-ZZXKWVIFSA-N	382.372	2.374	0	1	GEAF	
Cc1ccc(NC(=O)[C@@H]2[C@@H]3C(=O)N(Cc4cccnc4)C[C@]34C=C[C@H]2O4)cc1	13131832	KKELNQXQWMMKDJ-VQQMMKBISA-N	375.428	2.311	0	1	GEAF	
Cc1c(C(=O)NN2CCOCC2)nn(-c2ccc(F)cc2F)c1-n1cccc1	14975710	IJBXDCHWDJGFKN-UHFFFAOYSA-N	387.390	2.227	0	1	GEAF	
CCOc1ccccc1C1=NO[C@H](c2ccccc2)[C@@H]1C(=O)NCCOCCO	4152084	GYAFLLMIBNFNBW-TZIWHRDSSA-N	398.459	2.302	0	1	GEAF	
O=C(COc1ccc(Cl)cc1)Oc1ccc(C[C@@H]2NC(=S)NC2=O)cc1	103199380	UCKPJTNTMAEZJA-HNNXBMFYSA-N	390.848	2.240	0	1	GEAF	
Cc1nc(C(F)(F)F)cc2nc(S(=O)(=O)Nc3ccccc3F)nn12	103209579	LETRXVQKQYVITN-UHFFFAOYSA-N	375.307	2.391	0	1	GEAF	
CC=C1CN2[C@H](OC)C[C@@]34C(=Nc5ccccc53)[C@H]2C[C@H]1[C@@]4(CO)C(=O)OC	2356638557	JILJLVZWABVUDR-OWNOGVFSSA-N	382.460	2.189	0	1	GEAF	
C[C@]12CC[C@H]3[C@@H](CCC4=C[C@@H](O)CC[C@@]43CO)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1	2356743286	QHVJKHHDNXCKKX-ZCNBOXHLSA-N	388.504	2.497	0	1	GEAF	
CCOC(=O)[C@@H](C(N)=O)c1c(Cl)cnn(Cc2cccc3ccccc23)c1=O	73407383	TYNAMBKEOKTWCY-QGZVFWFLSA-N	399.834	2.230	0	1	GEAF	
O=C(NC1CCC1)[C@H]1[C@H]2c3cccc(=O)n3C[C@@H]([C@@H]1CO)N2CC1CCCCC1	95881186	SWAQELUBXKJOOP-HVJHZFLKSA-N	399.535	2.061	0	1	GEAF	
Cn1cc(C2=C(c3nnc4ccccn34)C(=O)NC2=O)c2cc(Cl)ccc21	299858385	RCGLHMGDLKIXMZ-UHFFFAOYSA-N	377.791	2.442	0	1	GEAF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H]3CN[C@@H](C(=O)O)[C@@H]3C2)N1	587790385	CPXIPMZMLLPLKT-COIFCZEISA-N	383.261	2.400	0	1	GEAF	
Cc1csc([C@](O)(Cc2nc3[nH]c(=N)[nH]c(Cl)c-3n2)C(F)(F)F)n1	587094316	PJVCIWGASOWJOR-LLVKDONJSA-N	378.767	2.128	0	1	GEAF	
C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1	586936862	AVCUFLVXDKRCLA-SSDOTTSWSA-N	391.350	2.494	0	1	GEAF	
Cc1nnc2sc(C(=O)NC3CN(c4cc(F)nc(F)c4)C3)c(N)c2c1C	1772588013	KFJVXRWCCDDQSA-UHFFFAOYSA-N	390.419	2.182	0	1	GEAF	
O=c1nc(Nc2ccccc2)[nH]c2c1ncn2CCCCN1CCC[C@@H](O)C1	13644931	WAUNNEVWOWLUDW-MRXNPFEDSA-N	382.468	2.100	0	1	GEAF	
C[C@@H]1O[C@H](OCCCCCCCCCC[C@H](O)CC(=O)O)[C@H](O)C[C@@H]1O	2356543795	XUIRIUDIZICRKQ-CWLGOENISA-N	376.490	2.206	0	1	GEAF	
COc1cc2c(cc1OC)[C@]13CN4CC5=CCCO[C@@H]6CC(=O)N2[C@@H]1[C@@H]6[C@H]5C[C@H]43	2356724882	BXGUWCVZAVIITQ-ZWKFKZKKSA-N	394.471	2.110	0	1	GEAF	
O=S(=O)(c1ccc(Cl)cc1)N1Cc2c[nH]nc2C[C@@H]1c1cncnc1	49111540	DHZZUOUZBFLGOY-MRXNPFEDSA-N	375.841	2.341	0	1	GEAF	
CC(C)c1cn(CC[C@H]2CC[C@@H](NC(=O)C3CCCCC3)[C@@H](CO)O2)nn1	95904417	IVOJAZGHNQZOGY-ZHALLVOQSA-N	378.517	2.397	0	1	GEAF	
COc1cc(Br)c([C@@H](N)c2nc3cc(N)ncc3[nH]2)cc1OC	586974561	DTGMOXAGCFUJAF-CQSZACIVSA-N	378.230	2.368	0	1	GEAF	
CN1[C@H]2COC[C@H]1CC(OC(=O)c1cn(-c3ncccn3)c3ccccc13)C2	1772611309	QJYBZCCBXIHKED-HUUCEWRRSA-N	378.432	2.439	0	1	GEAF	
CCCCCn1c(=O)n(CC(=O)NCCCC)c(=O)c2c(OC)cccc21	1772607746	HAAFMNUYMPERLA-UHFFFAOYSA-N	375.469	2.278	0	1	GEAF	
COc1ccc([C@@]2(C)NC(=O)N(C[C@@H](O)c3ccc(F)cc3F)C2=O)cc1	1857564993	VGDHCMGTODEDEX-VQIMIIECSA-N	376.359	2.474	0	1	GEAF	
Cc1ccc(S(=O)(=O)N[C@H](C(=O)Nc2ccc(C(=N)N)cc2)C(C)C)cc1	1857752751	LBHWMWZHLUMFRP-KRWDZBQOSA-N	388.493	2.221	0	1	GEAF	
CCOc1cccc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCCOCCO)c1	4049468	DYUDSNKGZBJWIW-CTNGQTDRSA-N	398.459	2.302	0	1	GEAF	
O=C(O)CNC(=O)c1c(=O)oc(O)c2cccc(-c3ccc(F)c(F)c3)c12	114871538	GJZOTRGBNZONHJ-UHFFFAOYSA-N	375.283	2.258	0	1	GEAF	
CCOC(=O)Nc1cc(N[C@H](C)[C@@H](O)COc2ccccc2)c(N)c(N)n1	27196353	QHSMGQXDRPDLAM-RISCZKNCSA-N	375.429	2.055	0	1	GEAF	
O=C(Cn1nc(-c2ccccc2F)ccc1=O)NC[C@H]1CCCN2CCCC[C@H]12	2356750795	FOVHEDNCRWBNIY-OXQOHEQNSA-N	398.482	2.430	0	1	GEAF	
O=C(NCc1ccccc1)N[C@@H]1CO[C@@H]2[C@H](OC(=O)Nc3ccccc3)CO[C@@H]21	2356866987	VQBVRAQRFNRYIG-NCXUSEDFSA-N	397.431	2.269	0	1	GEAF	
COc1ccc(-c2oc3c(OC)c(O)c(OC)c(O)c3c(=O)c2OC)cc1N	66258478	UYPGHIIFJDSEIJ-UHFFFAOYSA-N	389.360	2.488	0	1	GEAF	
CC(=O)O[C@H]1CCCN2[C@@H]1CC(=O)[C@H](n1cnc3ccccc3c1=O)C2(C)C	84416109	GVBUYPLGEBOUCO-NEWSRXKRSA-N	383.448	2.085	0	1	GEAF	
CN(CC(=O)NCc1ccco1)C(=O)c1coc(-c2ccc3c(c2)OCO3)n1	82085624	HNZJULAHQKSJJW-UHFFFAOYSA-N	383.360	2.052	0	1	GEAF	
COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CCN(C(=O)CN1CCCCC1)C2	140444255	DZRBZKLNNGMBSH-LTMIRXACSA-N	398.503	2.233	0	1	GEAF	
CNC[C@H]1Oc2ncc(-c3ccc(OC)cc3)cc2C(=O)N([C@@H](C)CO)C[C@H]1C	95732629	KUOLKNDJLDMVPT-QEEYODRMSA-N	399.491	2.197	0	1	GEAF	
O=C(c1nc2ccccc2[nH]1)N1CC(Oc2nccnc2C2=CCOCC2)C1	96168851	HHGVKUISNQKRGO-UHFFFAOYSA-N	377.404	2.060	0	1	GEAF	
O=C(O)Cc1cccn(Cc2ccccc2S(=O)(=O)c2ccccc2)c1=O	653725024	NEGMYZUGYRXGAM-UHFFFAOYSA-N	383.425	2.357	0	1	GEAF	
O=C(Nc1ccccc1C(=O)N[C@H](Cc1ccccc1)C(=O)O)c1cnccn1	13589872	YVKFKYXFHWJAEF-QGZVFWFLSA-N	390.399	2.155	0	1	GEAF	
CN(C)c1nc(N2CCNCC2)nc2nc(NCc3ccccc3)c(Cl)nc12	13782032	KNPLFFHAIBJZBG-UHFFFAOYSA-N	398.902	2.161	0	1	GEAF	
COCCNC(=O)c1n[nH]c2cc(NC(=O)N[C@H](C)c3ccccc3)ncc12	205434106	IZUSRRHFIISAPT-GFCCVEGCSA-N	382.424	2.217	0	1	GEAF	
Cc1ccc(S(=O)(=O)N[C@@H](C(=O)Nc2ccc(C(=N)N)cc2)C(C)C)cc1	1857752752	LBHWMWZHLUMFRP-QGZVFWFLSA-N	388.493	2.221	0	1	GEAF	
O=C(O)c1[nH]c2ccc(Cl)cc2c1CC(=O)N1CCC2(CC1)OCCO2	4920374	FWSHKJXFZDBSNX-UHFFFAOYSA-N	378.812	2.428	0	1	GEAF	
CCCn1c(=O)c2[nH]c(C3CCC(C(=O)OC)CC3)nc2n(CCC)c1=O	29558563	LAFMOKJVWGFQPE-UHFFFAOYSA-N	376.457	2.153	0	1	GEAF	
O=C1NC(=O)[C@](CN2Cc3ccc(Cl)cc3C2=O)(c2ccc(F)cc2F)N1	38215514	AJJKDXWYFPYPSE-SFHVURJKSA-N	391.761	2.309	0	1	GEAF	
CN[C@H](C)[C@@H]1CCN(c2cc3c(c(N)c2F)c(=O)c(C(=O)O)cn3C2CC2)C1	40466687	IREVOVMSSRKOJM-GHMZBOCLSA-N	388.443	2.190	0	1	GEAF	
O=C1CN(S(=O)(=O)c2ccc(C(F)(F)F)nc2)[C@H](C2CC2)c2cn[nH]c21	49035842	JFPODFASUGTOCL-CQSZACIVSA-N	386.355	2.162	0	1	GEAF	
CNc1nc2cc(-c3cnc4[nH]c(=O)n(CC5CCOCC5)c4n3)ccc2[nH]1	82154578	WNCXJXHENRZPRH-UHFFFAOYSA-N	379.424	2.131	0	1	GEAF	
O=C(c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1)N1C[C@@H]2CC[C@H](C1)O2	149300795	QVNYJRXNTPNJHE-OKILXGFUSA-N	379.407	2.329	0	1	GEAF	
C[C@@H](c1ccc2ncccc2c1)n1nnc2ncc(-c3cnn(CCO)c3)nc21	96284623	NETRMZMGTHLSBM-ZDUSSCGKSA-N	386.419	2.235	0	1	GEAF	
O=C(NC[C@@H]1[C@@H](c2ccccc2)[C@@H](CO)N1C(=O)C1CCC1)NC1CCCC1	95894895	PSPYKSKJQZXCHI-VAMGGRTRSA-N	385.508	2.384	0	1	GEAF	
Cc1nc2[nH]c(CCc3ccc(S(N)(=O)=O)cc3)nc2cc1Br	586929744	IBLZHUCUKGNELJ-UHFFFAOYSA-N	395.282	2.461	0	1	GEAF	
CNS(=O)(=O)c1cc(-c2nc3c(Br)c(F)ccc3[nH]2)n(C)c1	586947632	WYIUZDNBEBZEPS-UHFFFAOYSA-N	387.234	2.378	0	1	GEAF	
CC1=C(c2ccc3nc([C@H](C)NC(=O)CC(F)(F)F)[nH]c3c2)NNC(=O)C1	587091819	JKJQOFHSZYJTSG-VIFPVBQESA-N	381.358	2.448	0	1	GEAF	
COC(=O)c1ccnc2[nH]c(-c3ccc(OCC(=O)NC(C)C)c(OC)c3)nc12	587219197	NNPKBIJGXUFFRC-UHFFFAOYSA-N	398.419	2.324	0	1	GEAF	
CN(CC(=O)NC1CCCCCC1)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2	5068443	LTHCMSWZQRFYPA-UHFFFAOYSA-N	393.509	2.031	0	1	GEAF	
CNc1nc(Nc2ccc(-c3cnco3)c(OC)c2)nc(N2CCC[C@H]2CO)n1	13445196	FENBVYAJWRZBIW-ZDUSSCGKSA-N	397.439	2.282	0	1	GEAF	
CC[C@H]1[C@@H]2CCCCN3[C@H]([C@@H]4C[C@@H](C)C(=O)O4)CC[C@]23[C@H]2[C@@H]1OC(=O)[C@]2(C)O	169308876	SVSUKQDSRBZWNP-ORTICVPISA-N	391.508	2.274	0	1	GEAF	
c1c[nH]c(=Nc2ccnc3cc(-c4cnc(N5CCNCC5)nc4)ccc23)cn1	1857559242	JDMRWHRTEFZEIE-UHFFFAOYSA-N	384.447	2.057	0	1	GEAF	
COC(=O)C1=C(CN2CCOCC2)N=C(C2CC2)N[C@]1(C)c1ccc(F)cc1	1857620065	DXFGCYVACLDRSC-OAQYLSRUSA-N	387.455	2.212	0	1	GEAF	
CN(C)[C@H]1CO[C@@H]2C3=C[C@H]4OC(=O)[C@@]5(C)[C@@H](O)CC[C@](C)([C@H]3CC[C@]21C)[C@@H]45	4097738	MRVMMDQTZLIFLF-PWQJHGGPSA-N	375.509	2.381	0	1	GEAF	in-vitro
Nc1ccccc1N1C(=O)c2ccccc2[C@@]1(O)c1ccc2c(c1)NC(=O)CO2	59203452	HGKZDQUOOVLCDL-QFIPXVFZSA-N	387.395	2.454	0	1	GEAF	
C[C@]12CCC3=C(CC(=O)[C@H]([C@H](O)CO)[C@@]3(C)CCC(=O)O)[C@@H]1CC[C@H]2C(=O)O	2356325782	ZWUWJKRACXICAP-KCXKZRRPSA-N	394.464	2.007	0	1	GEAF	
COC(=O)[C@@H]1C[C@@]23C4=C(CC[C@@H]41)CC[C@H]1CN4C[C@H](C)[C@H](C=C[C@@]12CO)[C@]43O	2356581095	KJJSHRRLRCGALL-UVOYHRSPSA-N	385.504	2.101	0	1	GEAF	
CCn1cc(-c2cc3c(cn2)cnn3-c2cccc(N3CC[C@H](O)C3)n2)cn1	224850400	SYPBNOXLIVCNCJ-INIZCTEOSA-N	375.436	2.270	0	1	GEAF	
C[C@@H](C(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)n1cccn1	49070932	WKTNABHGNZVXNS-JXFKEZNVSA-N	379.464	2.344	0	1	GEAF	
CC(=O)OCON[N+](=O)N(C)CCOC(=O)[C@@H](C)c1ccc(CC(C)C)cc1	377797796	LNKNJCRBJQYSKJ-HNNXBMFYSA-N	396.464	2.114	0	1	GEAF	
Cn1cncc1C(=O)N1CCN2C(=O)c3ccncc3[C@]21c1ccc(Cl)cc1	299855694	BGOXVPRTHZXNJL-HXUWFJFHSA-N	393.834	2.281	0	1	GEAF	
CO[C@H]1O[C@@H](O)[C@@H]2C(C)(C)CC[C@@H]3OC(=O)[C@@]45C[C@H](CC[C@H]4[C@]312)[C@@H](C)C5=O	653722051	QZIYJYMZUWBXJX-ZVYPGVGUSA-N	378.465	2.277	0	1	GEAF	
CC(C)C[C@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N[C@@H](CCC(=O)O)C(=O)N21	653808473	ZABODVDQHQNZFF-ULQDDVLXSA-N	383.448	2.372	0	1	GEAF	
NC(=O)CN1C(=O)[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21	587519320	YWOZSOBQCPPRNQ-JOCHJYFZSA-N	376.412	2.258	0	1	GEAF	
O=[S@@](CCCc1nc2c(O)nc(O)nc2[nH]1)c1ccc(Br)cc1	586961569	VYVAFLGPMPUUHT-QHCPKHFHSA-N	397.254	2.267	0	1	GEAF	
COCC[C@]1(CC(=O)OC)N[C@@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21	962703874	SZAPHILEFRDXDD-CZUORRHYSA-N	393.333	2.238	0	1	GEAF	
CCOC(=O)[C@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OCC)[C@H]1c1ccc(OCC)cc1	13562769	SYMQGPSLVUNGPV-NTLWEQJWSA-N	392.448	2.251	0	1	GEAF	
Cc1cc(CNC(=O)[C@@]2(C(F)(F)F)C[C@H](CCCO)CCCO2)nn1C	13829136	NMKGXEKUYCZOQN-CZUORRHYSA-N	377.407	2.235	0	3	GEAF	
COc1ccc(CC2=NO[C@H](CNC(=O)[C@@H]3COc4ccccc4O3)C2)cc1	14882110	UNMRSSZPCCCUPE-PXNSSMCTSA-N	382.416	2.339	0	1	GEAF	
CO[P@@](=O)(O)C(O)(c1ccc(Br)cc1)[P@@](=O)(O)OC	169309281	UXTHLEHQZCWIRY-UHFFFAOYSA-N	375.048	2.215	0	1	GEAF	
C[C@]1(CSc2cccc(C(=O)NCc3cccs3)c2)NC(=O)NC1=O	1857774795	PAZUBYSYBPUVDE-QGZVFWFLSA-N	375.475	2.368	0	1	GEAF	
C[C@@H]1CN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(O)cc2)C[C@H]1N	28390820	UGZBXQQGAZNVHF-PIGZYNQJSA-N	397.406	2.317	0	1	GEAF	
Cc1c(CCC(=O)O)c2cc(S(=O)(=O)O)ccc2n1C(=O)c1ccco1	28126578	VUMKXHWILMXTBR-UHFFFAOYSA-N	377.374	2.495	0	1	GEAF	
CCCCCC(=O)N1CC[C@](C)(O)[C@@H](NC(=O)COC)[C@H]1c1cccs1	2356550907	NIGIYQJEEFJFGW-QYZOEREBSA-N	382.526	2.484	0	1	GEAF	
O=C(C=Cc1ccccc1)O[C@H](c1ccccc1)[C@@H]1O[C@@H]2CC(=O)O[C@H]2[C@@H]1O	2356589356	GDYNBHXFRSGEGM-CHKJKVEQSA-N	380.396	2.428	0	1	GEAF	
CC1CCN(C[C@@H]2CN3CC[C@H]2C[C@H]3CNS(=O)(=O)c2cccs2)CC1	2356645639	YDURHWHKIOPUKK-KSZLIROESA-N	397.610	2.469	0	1	GEAF	
CCCCC(=O)O[C@@H]1CO[C@@H]2[C@@H](OC(=O)c3ccccc3OC(C)=O)CO[C@H]12	45324072	ZVAACQDRVXNNQF-UKBAYJJMSA-N	392.404	2.037	0	1	GEAF	
O=C(c1csc(-c2ccccc2)n1)N1CCC[C@@H](C(=O)N2CCCNCC2)C1	82069441	RPERUEGIDQJJFU-QGZVFWFLSA-N	398.532	2.484	0	1	GEAF	
COc1cc2c(cc1OC)[C@@](O)(c1ccc3c(c1)OCO3)[C@@H](C)[C@@](C)(O)C2=O	238737311	HFVJPDBHLXAZNH-JPXSGTFLSA-N	386.400	2.252	0	1	GEAF	
O=C(c1cccnc1)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2C(=O)C1CCC1	95794131	SUBNAZNMSQVXDD-UXHICEINSA-N	391.471	2.063	0	1	GEAF	
O=C(/C=C/c1ccccc1)O[C@@H]1[C@H]2OC(=O)C[C@H]2O[C@@H]1[C@@H](O)c1ccccc1	299820998	FHGDRFDHIZAQKE-XIDGZMOSSA-N	380.396	2.428	0	1	GEAF	
COc1cc([C@H]2c3cc4c(cc3O[C@@H](NN)[C@@H]2C)OCO4)cc(OC)c1OC	19172977	HUJNELKPXBNWGW-FDEBGQKISA-N	388.420	2.391	0	1	GEAF	
COC(=O)[C@H](C)N1CC=CCOc2c(Cl)cc(Cl)cc2S1(=O)=O	253672944	AIZYLVODENQYBT-VIFPVBQESA-N	380.249	2.494	0	1	GEAF	
CC(C)(C)NC(=O)C1CCC(C/N=c2/c(N3CCCCC3)c(O)c2=O)CC1	101713370	KFIWTHJMOCMGGO-JWGURIENSA-N	375.513	2.240	0	1	GEAF	
COC(=O)[C@@H]1C[C@@]23C4=C(CC[C@@H]41)CC[C@H]1CN4C[C@@H](C)[C@H](CC[C@@]12CO)[C@]43O	2356460721	GZPYJGXSOJGYKK-HWUKEOTNSA-N	387.520	2.325	0	1	GEAF	
O=C(NC[P@@](=O)(O)N[C@H](Cc1ccccc1)C(=O)O)OCc1ccccc1	29401089	WYANOKCBXBNUIJ-MRXNPFEDSA-N	392.348	2.341	0	1	GEAF	
COc1ccc(CN[C@@H]2C[C@H](O)[C@H](CO)[C@@H]2Cc2ccnc(C(C)(C)C)n2)cc1	2356499745	JKTOMNQSHFGRPL-BQJUDKOJSA-N	399.535	2.473	0	1	GEAF	
C[C@H]1C(=O)NCCN1C1=C(Cl)C(=O)N(c2ccc(Cl)c(Cl)c2)C1=O	64527291	LAJCAHFPXAHWMM-ZETCQYMHSA-N	388.638	2.137	0	1	GEAF	
CN(C)c1ccc(-c2ccnc(N[C@@H]3CO[C@H]4[C@H]3OC[C@H]4NCC3CC3)n2)cc1	2356844674	NXWFQZCBTMXHRQ-NCYKPQTJSA-N	395.507	2.156	0	1	GEAF	
CN1C(=O)[C@@](c2cccc(-c3cccnc3F)c2)(c2cnn(CCF)c2)N=C1N	72182225	WTRPZTMQYKOUOO-HXUWFJFHSA-N	396.401	2.084	0	1	GEAF	
OCC(CO)NC[C@H](O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21	211009750	TWHBQZZTCGZKKG-AWEZNQCLSA-N	383.275	2.405	0	1	GEAF	
Cc1cccnc1-c1nc(N2CCC(NS(C)(=O)=O)CC2)ncc1Cl	146773548	AAWNCMBIFXAJHK-UHFFFAOYSA-N	381.889	2.018	0	1	GEAF	
CC(=O)N1CCN(C(=S)SCc2cn(Cc3ccc(F)cc3)nn2)CC1	96285716	BAHLEDGQBYOOLQ-UHFFFAOYSA-N	393.513	2.148	0	1	GEAF	
CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)OCc1cc(=O)c(O)c[nH]1	653812766	YMUHERICGAYKSV-INIZCTEOSA-N	388.420	2.465	0	1	GEAF	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12C[C@@H](C(=O)O)[C@H](C(=O)O)C2	587612792	WIZMJGJTEPCMMZ-JMSVASOKSA-N	384.340	2.288	0	1	GEAF	
CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)N(CC(N)=O)c2ccccc21	587485725	KBVWMYHBDOYWDU-OAQYLSRUSA-N	380.400	2.037	0	1	GEAF	
O=C(c1ccc2nc(-c3ccoc3C3CC3)[nH]c2c1)N1CCN(CCO)CC1	586900850	FRNDIJTZYSFXJJ-UHFFFAOYSA-N	380.448	2.450	0	1	GEAF	
Cc1nc2c(N3CCOCC3)nccn2c1NCCc1ccc2c(c1)OCO2	1772644610	NKLFXINRDDQDCS-UHFFFAOYSA-N	381.436	2.258	0	1	GEAF	
COC(=O)[C@]12CC=C3O[C@@H]4OC5(CCCCC5)O[C@@H]4[C@H]3[C@@H]1C(=O)CCC2=O	5723069	HBBYRPITSKHANT-JZBZHOAESA-N	376.405	2.030	0	1	GEAF	
N=C(N)c1cccc(Oc2cc(C(N)=O)cc(Oc3cccc(C(=N)N)c3)n2)c1	13797436	BCFJMQFQKRGACT-UHFFFAOYSA-N	390.403	2.333	0	1	GEAF	
CC=C(C)C(=O)O[C@@H]1CC[C@]2(O)C[C@]3(O)OC(=O)C(C)=C3[C@H](OC)[C@@]2(C)[C@H]1C	2356643697	BRTZMHHJAMJVLW-PLMRHSLQSA-N	394.464	2.012	0	1	GEAF	
CC1=C(c2cccc(Cl)c2)S(=O)(=O)N=C1NCCCN1CCOCC1	20901037	JWMPLVBGKAZGQA-UHFFFAOYSA-N	383.901	2.125	0	1	GEAF	in-vitro
CCN(CC)CC(=O)Nc1ccc([C@]2(c3ccccc3)NC(=O)NC2=O)cc1	45354005	YMXMLVAOTMWZNX-NRFANRHFSA-N	380.448	2.050	0	1	GEAF	
C[C@@H]1CNc2c(NCc3cccc(O)c3)c(=O)n(Cc3ccsc3)c(=O)n21	82210998	RXBFUMQIGBLATL-GFCCVEGCSA-N	384.461	2.424	0	1	GEAF	
C[C@@H](C(=O)NC1[C@@H]2CC3C[C@@H]1CC(O)(C3)C2)N1CC(Oc2ccccc2F)C1	137944345	XNSQYEZFDGACIR-ZRQSAXKZSA-N	388.483	2.333	0	1	GEAF	
CCOC(=O)[C@@]1(c2ccccn2)N[C@@H](C(=O)O)Cc2c1cnc1ccccc21	963223491	AZHKALCIYRGFFZ-DYESRHJHSA-N	377.400	2.035	0	1	GEAF	
O=C(N[C@H]1CCCc2ccccc21)[C@H]1CCCN(S(=O)(=O)c2c[nH]cn2)C1	13131484	LFTBGYFGPXVSSC-RDJZCZTQSA-N	388.493	2.004	0	3	GEAF	
O=C(C=Cc1ccccc1)O[C@@H]1[C@@H]2OC(=O)C[C@@H]2O[C@@H]1[C@H](O)c1ccccc1	2356390516	FHGDRFDHIZAQKE-IQQJEHGZSA-N	380.396	2.428	0	1	GEAF	
COc1ccc(-c2cc3ncccc3c(OC[C@H]3CNC(=O)N3)n2)cc1OC	114019618	AUHXBSZEECQKIH-CYBMUJFWSA-N	380.404	2.374	0	1	GEAF	
COc1ccc([C@@H](O)[C@H](CO)Oc2ccc(/C=C/CO)cc2OC)cc1OC	39061522	GAYRERFQJBZHBH-ARMKIQIJSA-N	390.432	2.191	0	1	GEAF	
O=S(=O)(O)n1cc(Br)c(Br)c1Br	14769690	DVLXDBAYEMBTQF-UHFFFAOYSA-N	383.843	2.427	0	1	GEAF	biogenic
COCCCN1CCc2ccc([C@@H](C)N(C(=O)[C@H]3CNCCO3)C3CC3)cc21	220203063	BFORMTCLMQTRJH-IIBYNOLFSA-N	387.524	2.126	0	1	GEAF	
C[C@@H](NC(=O)c1coc(-c2cccs2)n1)C(=O)NCCCN1CCCC1	82083407	CVOLMBZVGNABHH-CYBMUJFWSA-N	376.482	2.124	0	1	GEAF	
CCNC(=O)[C@H](CC(C)C)N[P@](=O)(O)CNC(=O)OCc1ccccc1	95553314	AYDYEZVQGYFZKJ-HNNXBMFYSA-N	385.401	2.196	0	1	GEAF	in-vitro
COC1=C(OC)[C@H]2C(=O)O[C@H]([C@H]3c4cc5c(cc4CCN3C)OCO5)[C@H]2C=C1	95911934	CRAVBINFWZGLSC-RCUQFMMVSA-N	385.416	2.176	0	1	GEAF	biogenic,in-vitro
COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2nc(Br)c[nH]c-2n1	587232285	VTYSTZFBGPONDA-ZJUUUORDSA-N	382.262	2.103	0	1	GEAF	
CS(=O)(=O)N1CCc2c(ccc(-c3nc4ccnc(Cl)c4[nH]3)c2N)C1	586956076	ZYLIOSOHGNBYOX-UHFFFAOYSA-N	377.857	2.178	0	1	GEAF	
Cc1ccccc1N1CCN(CCCCN2CC(=O)N3CCCC[C@@H]3C2=O)CC1	13861501	ACBRSXOTZHFOPE-OAQYLSRUSA-N	398.551	2.121	0	1	GEAF	
COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4cscc4c3=O)C[C@@H]21	13863021	QOFCJVQVURHXTF-XJKSGUPXSA-N	397.500	2.422	0	1	GEAF	
O=c1ccc(-c2ccccc2)nn1Cc1noc(-c2ccc(C3=NCCN3)cc2)n1	1857545566	ZPZKCRODTWQYDY-UHFFFAOYSA-N	398.426	2.358	0	1	GEAF	
CC(=O)c1ccc(S(=O)(=O)N2C(=O)N[C@@]3(CCCc4ccccc43)C2=O)cc1	1857554483	VXZHYKWBPHYYBU-HXUWFJFHSA-N	398.440	2.362	0	1	GEAF	
Cc1c(N2C[C@@H](N)[C@@H](C3CC3)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12	6520954	AJMZGFPXKPITST-NVXWUHKLSA-N	385.439	2.496	0	1	GEAF	
COCC(=O)N1CC[C@](C)(O)[C@@H](NC(=O)c2ccccc2)[C@@H]1c1cccs1	2356289365	UTJAPVYMFGRFGU-BJLQDIEVSA-N	388.489	2.218	0	1	GEAF	
C[C@@]12C=C[C@@]3(CN(Cc4ccccc4)C(=O)[C@@H]3[C@@H]1C(=O)NCc1ccco1)O2	100306803	OWGQHWVHMOBBLL-OSZJIOELSA-N	378.428	2.268	0	3	GEAF	
COc1c(O)cc2occ(-c3ccc(OS(=O)(=O)O)cc3)c(=O)c2c1O	410428656	YCLRZPRGSLQMFZ-UHFFFAOYSA-N	380.330	2.061	0	1	GEAF	endogenous,in-man
O=P(O)(O)O[P@](=O)(O)n1cnc(-c2ccccc2Nc2ccncc2)n1	87722401	WNSGOIRTBXYDAX-UHFFFAOYSA-N	397.224	2.142	0	1	GEAF	
CCCc1cn(CC[C@H]2CC[C@H](NC(=O)C3CCCCC3)[C@H](CO)O2)nn1	95675282	GHLUFTIHFDMMKJ-QYZOEREBSA-N	378.517	2.226	0	1	GEAF	
CCC(=O)N1CC2(CCN(C(C)=O)CC2)c2c([nH]c3cc(OC)ccc23)[C@@H]1CO	95865528	HWAVJBCVPFBRIU-SFHVURJKSA-N	399.491	2.342	0	1	GEAF	
O=C1N[C@H](CN(Cc2ccccc2)C(=O)/C=C/c2ccco2)N[C@H]2CCS[C@@H]12	618015485	VPDACGCWANEWEF-MMFUBXAXSA-N	397.500	2.241	0	1	GEAF	
CN(Cc1nc2cnc(C(F)(F)F)[nH]c-2n1)S(=O)(=O)c1ccc(F)cc1	587169734	IYLDLAZHJHHFDZ-UHFFFAOYSA-N	389.334	2.283	0	1	GEAF	
O=C1c2ccc(O)cc2O[C@]2(C[C@H]3CN[C@@H](C(=O)O)[C@@H]32)[C@@H]1c1ccc(F)cc1	587346367	MGDMOFNVDUQUNZ-LMUMDXBPSA-N	383.375	2.322	0	1	GEAF	
O=S(=O)(CCc1nc2c(S)nc(S)nc2[nH]1)c1ccc2c(c1)CCC2	586921835	GQLSTEWNRRKOQT-UHFFFAOYSA-N	392.531	2.435	0	1	GEAF	
CCNc1n[nH]c2c1CCCc1cc(N3C[C@H](CNC(C)=O)OC3=O)ccc1-2	11524618	YXAKAGKGAACTEP-HNNXBMFYSA-N	383.452	2.459	0	1	GEAF	
O=C1N[C@H](C(=O)O)Cc2cn(cn2)CC/C=C\COc2ccc(Cl)c1c2	169313431	GXWGJFIDBBUABQ-SWQCVOCJSA-N	375.812	2.301	0	1	GEAF	
CC(C)NS(=O)(=O)c1ccccc1C(=O)N1N=C(c2ccccc2)CC1=O	1857592960	RAXNKYKXORWLNN-UHFFFAOYSA-N	385.445	2.150	0	1	GEAF	
COc1c2c(cc3c1[C@H](O)[C@@H]1COC(=O)[C@@H]1[C@@H]3c1ccc3c(c1)OCO3)OCO2	2356439885	GTFKUBXSHHHPRX-NEDOFYQNSA-N	398.367	2.121	0	1	GEAF	
CC(C)c1nccc(C[C@@H]2[C@H](NC3Cc4ccccc4C3)C[C@H](O)[C@H]2CO)n1	2356380028	OQLGOQFQJVLDCD-KJJMTIBFSA-N	381.520	2.257	0	1	GEAF	
CC(C)CCNC(=O)Cc1ccc(NC2=N[C@@H]3CS(=O)(=O)C[C@@H]3S2)cc1	6739139	ZXTBSVZVHUKMEJ-CVEARBPZSA-N	395.550	2.072	0	1	GEAF	
NC(=O)c1ccnc(NCCCN2CCN(c3ccccc3C3CC3)CC2)n1	28761056	LGIVMOOQVSUBSE-UHFFFAOYSA-N	380.496	2.077	0	1	GEAF	
Cc1cc(N2CCNCC2)c2c(c1)N(S(=O)(=O)c1ccccc1F)CCO2	28948472	XVRPRWGSQMQJEH-UHFFFAOYSA-N	391.468	2.131	0	1	GEAF	
OC[C@@H]1[C@H](O)C[C@H](NCc2cccnc2)[C@@H]1Cc1ccnc(-c2ccccc2)n1	2356522989	BSIFVSBEJPBKSW-CLAROIROSA-N	390.487	2.229	0	1	GEAF	
O=C(NCCC1CC1)c1ccc(N2CCN(C(=O)c3ccccc3F)CC2)nn1	38308510	DZESEDNMYNFEEI-UHFFFAOYSA-N	397.454	2.108	0	1	GEAF	
CC(C)(C)n1nnnc1[C@@H](c1ccccc1)N1CCN(c2ncccn2)CC1	199216441	NMKQCHQBNPOPTA-QGZVFWFLSA-N	378.484	2.130	0	3	GEAF	
COc1ccc2nccc([C@H](c3nnnn3C(C)(C)C)N3CCOCC3)c2c1	84733099	GCOLZQGPSIYWDG-GOSISDBHSA-N	382.468	2.407	0	1	GEAF	
CN1[C@H]2COC[C@H]1CC(NC(=O)c1cn(-c3cnccn3)c3ccccc13)C2	1772571406	NJYKDFFSRRXNAO-HZPDHXFCSA-N	377.448	2.012	0	1	GEAF	
COC(=O)Nc1n[nH]c2cc(NC(=O)N[C@@H]3COc4ccccc4C3)ncc12	1772648491	ZEDAYVIUOIMNDM-NSHDSACASA-N	382.380	2.261	0	1	GEAF	
CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2ccc3[nH]nnc3c2)CC1	13819785	VFFKMBWTNDMDTC-OAHLLOKOSA-N	377.514	2.233	0	1	GEAF	
N[C@H](C(=O)N1CC[C@H](F)C1)[C@H](c1ccc(-c2ccc(F)cc2)cc1)c1nnn[nH]1	14947763	ZLBQGFAYTYPUEY-BZSNNMDCSA-N	398.417	2.035	0	1	GEAF	
CC(C)n1cnc2cnc(Nc3ccnc(N4CCC(C(N)=O)CC4)n3)cc21	209387687	PBSKYLGNVPSCSA-UHFFFAOYSA-N	380.456	2.248	0	1	GEAF	
CC[C@@H](Nc1c(Nc2ccnc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(C)o1	139879157	MYZKJLUOSGMNEZ-LLVKDONJSA-N	398.419	2.293	0	1	GEAF	
CS(=O)(=O)N(C[C@@H](O)Cn1c2ccccc2c2ccccc21)C1(C#N)CC1	148570375	AZRCOEYFKJFJPY-HNNXBMFYSA-N	383.473	2.473	0	1	GEAF	
N=C(N)c1ccc([C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3[C@H]3CCCN23)cc1	3831696	QKVYJJDWLBNNSF-UAFMIMERSA-N	388.471	2.291	0	1	GEAF	
CC(=O)[C@@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@H](O)[C@@H](O)C4(C)C)[C@@]3(C)C(=O)C[C@H]12	2356353051	HBVLDGXDFFSABR-RCTRCJRISA-N	390.520	2.272	0	1	GEAF	
Cc1ccn(CC(=O)N2CCC[C@@H](N3CCN(c4ccccc4F)CC3)C2)n1	55132805	KJGZGLFUJSMAFV-GOSISDBHSA-N	385.487	2.144	0	3	GEAF	
COc1ccc(Nc2ncc(-c3cn[nH]c3)cc2-c2nc(C)nc(N)n2)cn1	113241450	GLGKWFOUDHCJJG-UHFFFAOYSA-N	375.396	2.362	0	1	GEAF	
Cc1c(C)c2c(c(C)c1O)[C@@H](CN1CCN(CCOCCO)CC1)C(C)(C)O2	22934299	XEXAAIMYBATELA-GOSISDBHSA-N	392.540	2.199	0	1	GEAF	
Cc1ccc(C(=O)COC(=O)c2ccc(N3C(=O)COCC3=O)cc2)cc1C	28524587	KHJDEDGTEQCVHJ-UHFFFAOYSA-N	381.384	2.233	0	1	GEAF	
COCC(=O)N[C@@H]1[C@H](c2cccs2)N(Cc2c(C)noc2C)CC[C@]1(C)O	2356639905	IJAGCDROCYJMBS-OTWHNJEPSA-N	393.509	2.182	0	1	GEAF	
COc1cc(-c2nc3c([nH]2)C2=N[C@@H](C)CN2C(=O)N3Cc2ccccc2)n(C)n1	72109196	GUQZGHDGKRREHX-LBPRGKRZSA-N	391.435	2.410	0	1	GEAF	
CN(c1c2c(c(O)c3ncccc13)C(=O)N(Cc1ccccc1)C2)S(C)(=O)=O	40395433	ZKVVNDQJKIRGDO-UHFFFAOYSA-N	397.456	2.492	0	1	GEAF	
COc1ccccc1C(=O)N1CCN(C(=O)C(=O)c2c[nH]c3ccccc23)CC1	45254103	CFKJAGSPMOHPNY-UHFFFAOYSA-N	391.427	2.344	0	1	GEAF	
CC[C@H](Oc1ccc2c(c1)OCCn1cc(-c3ncnn3C(C)C)nc1-2)C(N)=O	144052359	HCXJXQHVHZPQRZ-INIZCTEOSA-N	396.451	2.425	0	1	GEAF	
O=C(Nc1ccc(F)cc1)N[C@H]1C=C[C@@H](CC(=O)N2CCCCC2)O[C@@H]1CO	95906045	GRROAJFSYBFQKD-OKZBNKHCSA-N	391.443	2.034	0	1	GEAF	
C/C=C(/C)C(=O)O[C@H](C1=C(C)[C@@H](O)OC1=O)[C@]1(C)[C@@H](C)[C@@H]2CC[C@H]1[C@@H](OC)O2	238751926	YEMKZDPASIYASW-QZPCQVCCSA-N	394.464	2.480	0	1	GEAF	
CC(=O)O[C@@H]1CC[C@]2(C)[C@H](C[C@H](O)[C@]34C=C(CO)[C@H](CC[C@H]23)C4)[C@@]1(C)CO	95909232	SDJVWZZBAQETFJ-POQRMJJWSA-N	378.509	2.433	0	1	GEAF	biogenic,in-vitro
CC(=O)NC1=NN(C(C)=O)[C@@]2(CC(C)(C)Oc3ccc(OC(C)=O)cc32)S1	98084194	IWIWJVQMDIUNTR-SFHVURJKSA-N	391.449	2.328	0	1	GEAF	
COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)C1CC1)CC31CCN(C)CC1	95865931	KHTGDORGKPGRIY-GOSISDBHSA-N	383.492	2.426	0	1	GEAF	
O=C(Nc1ccc(-c2cn[nH]c2)cc1OCCO)N(CCO)Cc1ccccc1	299870616	WPQHWJHRGINSJT-UHFFFAOYSA-N	396.447	2.474	0	1	GEAF	
COC(=O)[C@@H]1CCc2nc(-c3c(N[C@H]4CC[C@@H](N)CC4)ccnc3O)[nH]c2C1	653729607	RVCXRGXRWJRHPL-UPJWGTAASA-N	385.468	2.137	0	1	GEAF	
Nc1nc(O)c2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c2n1	586999369	YMJHRWWFUBWRNW-OWOJBTEDSA-N	376.170	2.302	0	1	GEAF	
Nc1ncnc2[nH]c(-c3sccc3S(=O)(=O)NCc3cccs3)nc12	586945909	MSTSLZKCQDBSDO-UHFFFAOYSA-N	392.491	2.204	0	1	GEAF	
CN(C)[C@H](c1ccccc1)c1nc(=O)c(O)c(C(=O)NCc2ccc(F)cc2)[nH]1	14979604	RUBHAOAJRSDKHD-QGZVFWFLSA-N	396.422	2.196	0	1	GEAF	
N=C(N)NC(=O)c1nc(-c2cc3ccccc3[nH]2)c(N2CCCCCC2)nc1N	1857644850	YYMJBYORFXNXJN-UHFFFAOYSA-N	392.467	2.211	0	1	GEAF	
Cc1ccc2c(c1)N(C(=O)CCC(=O)N1CCC3(CC1)OCCO3)C[C@H](C)O2	6797872	NXUWZSSLUUWFDO-INIZCTEOSA-N	388.464	2.255	0	3	GEAF	
CN1CCN(CC(=O)Nc2ccc3c(c2)-c2[nH]c(=O)c4ccccc4c2C3)CC1	22934479	MWYHWCFBKADNQP-UHFFFAOYSA-N	388.471	2.285	0	1	GEAF	
Cn1c(O)c(C2=NNC(=O)C2=Cc2cccc([N+](=O)[O-])c2)c(=O)c2ccccc21	1085917	ZZMYDDVKWUISFV-UHFFFAOYSA-N	390.355	2.070	0	1	GEAF	biogenic
Cn1nnc(-c2c(F)cc(Cl)cc2-c2cnc(CNC(=O)NO)c(F)c2)n1	45364628	BZNHUFACHKTUTC-UHFFFAOYSA-N	395.757	2.059	0	1	GEAF	
NS(=O)(=O)c1ccc(Oc2ccc(F)c(Cl)c2)c(CN2CCNCC2)c1	1911581474	AUZPDOKGNIPUKF-UHFFFAOYSA-N	399.875	2.324	0	1	GEAF	
NC(=O)[C@H]1CCCN(c2ncc(C(=O)N3CCCC3)c(-c3ccc(F)cc3)n2)C1	82139991	ZEPTUTBDAFGDIB-HNNXBMFYSA-N	397.454	2.220	0	1	GEAF	
COc1cc(S(=O)(=O)N(C)Cc2ccccc2)c(OC)c2c1CCNCC2	40951690	QQMIIWZERKKDBK-UHFFFAOYSA-N	390.505	2.213	0	1	GEAF	
O=C(O[C@H]1[C@@H]2C=C[C@H]1O2)c1cccc2c1C[C@H]1Oc3cccc(O)c3[C@H](O)[C@@H]1O2	238758975	OHAIRVQDXRWIFM-QJAIXKHESA-N	394.379	2.053	0	1	GEAF	
C[C@H]1CO[C@]2(C)Oc3c(c(O)c(C(N)=O)c4c3C[C@@H]3[C@@H](C)CO[C@]3(C)O4)C[C@H]12	96901211	HGKRRROATKYOHF-QQHFBSGMSA-N	389.448	2.358	0	1	GEAF	
C[C@H]1CC(=O)N([C@H](C)C(=O)N2CCN(c3cccc(Cl)c3Cl)CC2)C1=O	653801597	ILODGRMPAAQTAR-NWDGAFQWSA-N	398.290	2.426	0	1	GEAF	
CC(C)C[C@H](N)C(=O)NCCCS(=O)(=O)Oc1ccc(C(F)(F)F)cc1	653799586	LMSRISZVOMVKAK-AWEZNQCLSA-N	396.431	2.294	0	1	GEAF	
CC(=O)c1ccc2nc(-c3ccc4c(c3N)CCN(S(C)(=O)=O)C4)[nH]c2c1	586956028	YULAWDZNARAAHL-UHFFFAOYSA-N	384.461	2.332	0	1	GEAF	
NC[C@]1(c2nc[nH]c2N)NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21	963819534	XOGQSWLEESKFSP-QFIPXVFZSA-N	388.475	2.400	0	1	GEAF	
CN(C)C(=O)c1ccc2c(c1)[C@@]1(CCCc3cc(OCCN)ccc31)NCC2	962935480	ZXFJGRFYPVVTLZ-QHCPKHFHSA-N	379.504	2.452	0	1	GEAF	
O=C([C@H]1CCCN1S(=O)(=O)c1cccc2nsnc12)N1CCCCCC1	5068151	LZPOWFLROPUPQU-CQSZACIVSA-N	394.522	2.247	0	3	GEAF	
Nc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)N3CCC3)c2n1	169704287	IHXVXJVXFFLYQL-OAHLLOKOSA-N	381.415	2.033	0	1	GEAF	
O=C(N[C@@H]1CCCC[C@H]1O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1	207732941	QAJNYQOTASUETI-CZUORRHYSA-N	381.423	2.359	0	1	GEAF	
O=C(N[C@H]1CCCC[C@H]1O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1	207732981	QAJNYQOTASUETI-XJKSGUPXSA-N	381.423	2.359	0	1	GEAF	
COc1ccc(S(=O)(=O)N2C(=O)N[C@]3(CCCc4ccccc43)C2=O)cc1	1857612761	KQNAXJYPBMYCPP-IBGZPJMESA-N	386.429	2.168	0	1	GEAF	
COc1cccc2c1N1C(=O)C=C3OCC=C4CN(C)CC[C@@]25C(=O)C[C@H]4[C@H]3[C@H]15	2356413438	BWCDHPDWBTWWLO-PARLIJSWSA-N	392.455	2.043	0	1	GEAF	
Cc1cc2c(cc1S(=O)(=O)CCC(=O)N(C)C1CCCCC1)OCC(=O)N2	6893235	LDTBDMDHGNCYDN-UHFFFAOYSA-N	394.493	2.281	0	3	GEAF	
Cc1c(S[C@H]2CCCCN2)n(COCNc2ccccc2)c(=O)[nH]c1=O	28138193	MLKWQFLEAZIKEV-HNNXBMFYSA-N	376.482	2.080	0	1	GEAF	
O=C(NCc1cccs1)[C@@H]1[C@@H]2C(=O)N(Cc3cccs3)C[C@@]23C=C[C@H]1O3	101242277	DXCOMXHKAVHGJW-OLMMMNRUSA-N	386.498	2.408	0	1	GEAF	
O=c1c2c(ncn2CCCN2CCOCC2)c2cccnc2n1-c1ccccc1	26718242	GMTYKRDEULZMOD-UHFFFAOYSA-N	389.459	2.458	0	1	GEAF	
COC(=O)[C@]12C[C@H]3C[C@@H]4[C@H](C)OCN(CCc5c1n(c1ccccc51)[C@H]3O)[C@@H]42	34542069	KPVGQFUAGCUQTN-CDYSKTMDSA-N	382.460	2.186	0	1	GEAF	
COCCNC(=O)[C@@H]1C[C@H]2Cn3c(nc4cc(Cl)c(Cl)cc43)[C@@H]2N1C	95544119	JYYMTFLJOYYNFB-ULKVUYOBSA-N	383.279	2.481	0	3	GEAF	
CCCN1[C@@H]2c3ccc(C4=CCCCC4)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)OC	95878963	RGZZTHBAZXQIBF-IZBJGVDFSA-N	386.492	2.352	0	1	GEAF	
O=C(C1CCC1)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(-c3cccnc3)cc1)[C@@H]2CO	95797322	QVDWJLNEJREBMG-URVUXULASA-N	391.471	2.046	0	1	GEAF	
CC1=C(C(=O)O)N2C(=O)[C@@H](N=c3ccn(Cc4ccccc4)cc3)[C@H]2SC1	377809589	FENGGOHHDWDKFZ-VQIMIIECSA-N	381.457	2.079	0	1	GEAF	
CC(C)COc1cc2nc(CNCCNCC(=O)O)[nH]c2cc1Br	587229566	YXROLYRDLAAEAR-UHFFFAOYSA-N	399.289	2.124	0	1	GEAF	
COCCCn1nc([C@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)c2ccccc21	1772657544	YWZHOTUYGFORME-HNAYVOBHSA-N	386.496	2.113	0	1	GEAF	
COC(=O)C[C@H](c1ccc(OC)c(OC)c1)N1C(=O)c2cccc(O)c2C1=O	13757423	ITXQTSIKZWXBOQ-CYBMUJFWSA-N	385.372	2.310	0	1	GEAF	
Nc1ncc(CN2CCC(Oc3ccc(C(=O)N4CCCC4)cc3)CC2)cn1	15076506	YMVUIGVJLYJKSU-UHFFFAOYSA-N	381.480	2.338	0	1	GEAF	
COc1cc([C@H]2[C@H](C(=O)O)[C@H](c3ccc(O)c(OC)c3)[C@H]2C(=O)O)ccc1O	1857649776	UHCWQMZMXZKYAU-OPMHRUBESA-N	388.372	2.398	0	1	GEAF	
O=C1CO[C@@H]2CN(c3nccc(C(F)(F)F)n3)C[C@H]2N1Cc1ccccc1	2356478354	BBJJBHFTKYYGQY-ZIAGYGMSSA-N	378.354	2.112	0	1	GEAF	
COc1ccc(CCNc2nc(N3CCC(C(N)=O)CC3)ncc2C)cc1OC	82212947	DTHXZEHBWVFNPJ-UHFFFAOYSA-N	399.495	2.159	0	1	GEAF	
CC[C@H]1Cn2c(c(NCc3ccccc3)c(=O)n(Cc3ccncc3)c2=O)N1	82207471	FNMIFHRUGJKYHP-KRWDZBQOSA-N	377.448	2.270	0	1	GEAF	
CCc1nc(C(=O)N[C@@H](C)C(=O)NCc2cccc(OC)c2OC)cs1	82070525	XBCPISSSASSLLL-NSHDSACASA-N	377.466	2.157	0	1	GEAF	
O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2CC2CCCCC2)O1)NCC1CC1	95885623	BDMSGZPXHUILRR-XSDIEEQYSA-N	394.556	2.092	0	1	GEAF	
CNC[C@H]1Oc2ncc(-c3ccccc3C)cc2C(=O)N([C@@H](C)CO)C[C@@H]1C	95715253	KRNBFKLEYNUIPW-TWOQFEAHSA-N	383.492	2.497	0	1	GEAF	
COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)C1CCCC1)CC31CN(C)C1	95666526	RIXZNODXKAJYFB-LJQANCHMSA-N	397.519	2.436	0	1	GEAF	
Cc1ccc2c(c1)CN(CCNC(=O)[C@H]1CC(=O)N(CC(C)C)C1)C[C@H](C)O2	299872928	KFDBEKAQVWVNHA-HKUYNNGSSA-N	387.524	2.199	0	1	GEAF	
CCOC(=O)C(C(=O)OCC)[C@@]1(CC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	587440720	HYDGEKFCQPRBBN-XCLFUZPHSA-N	376.405	2.334	0	1	GEAF	
O=C(O)CNc1ncc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1	587574553	XIWLSEPORITAQE-LPHOPBHVSA-N	393.355	2.382	0	1	GEAF	
N[C@@H]1Cc2cc(F)ccc2[C@@]12N[C@H](C(=O)O)Cc1c(Cl)cc(F)c(F)c12	962960257	FMBUBEKPFOUPCC-PMUMKWKESA-N	382.769	2.483	0	1	GEAF	
CN(C)c1ccc(C2=NOC[C@@]2(C)C(=O)N[C@H](CO)Cc2ccccc2)cc1	769662	AMQDYMCMUMKLDY-PGRDOPGGSA-N	381.476	2.213	0	1	GEAF	
Oc1ccc2c3c1O[C@H]1c4ncccc4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@@]314	101029256	UUKFYSADJMUSTK-FJTGNWTPSA-N	376.456	2.486	0	1	GEAF	
Nc1ncnc2c1ncn2CCOC[P@]1(=O)OCC[C@H](c2ccoc2)O1	28974839	RSGKJEUTMCZUGN-RYZVSIALSA-N	379.313	2.347	0	1	GEAF	
Cc1cnccc1N1CCN([C@@H]2c3ccccc3C3(CCNCC3)[C@H]2O)CC1	23506348	XUKGWQKYZLIWPE-YADHBBJMSA-N	378.520	2.249	0	1	GEAF	
O=C([C@H]1CC2(CCNCC2)CN1)N1CCN(c2cccc(Cl)c2Cl)CC1	72122424	GCWTZYUDJWLEPG-OAHLLOKOSA-N	397.350	2.374	0	1	GEAF	
CCOC(=O)N1C[C@@H]2OC(=O)c3cc4c(cc3[C@]23C=C[C@@H](OC)C[C@H]13)OCO4	85808164	PPOFSTUJVPTKMR-NBSNSOTFSA-N	387.388	2.008	0	1	GEAF	
O=C1CC=C(c2nc3c(S)nc(S)nc3[nH]2)NN1Cc1ccc(F)cc1	587164498	SKFWHDHKXNKCIF-UHFFFAOYSA-N	388.453	2.347	0	1	GEAF	
CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)N(CC)C[C@H]1C(=O)OCC	587477541	RSYFYXAKYIUBQZ-VBKZILBWSA-N	375.421	2.090	0	1	GEAF	
O=C(NC1CC1)C1CC2(C1)N[C@@H](C(=O)O)Cc1cccc(OC(F)(F)F)c12	962640376	OMYLIXDQRUKDCS-JKIHBJTHSA-N	384.354	2.068	0	1	GEAF	
CCOC(=O)[C@H]1Cc2cc(C)ncc2[C@]12N[C@H](C(=O)O)Cc1cc(F)ccc12	962897821	LJVIHFBXFMXZRY-PLMTUMEDSA-N	384.407	2.107	0	1	GEAF	
CCN1C(=O)c2ccccc2[S@](=O)c2ccc(C(=O)N3CCOCC3)cc21	5058537	BQRVKQZAHZDGLQ-HHHXNRCGSA-N	384.457	2.306	0	3	GEAF	
CC(C)=C[C@H](O)[C@H]([C@H](O)CCC1(C)OCCO1)S(=O)(=O)c1ccccc1	5854736	RDJDOTSCUNITOZ-SQNIBIBYSA-N	384.494	2.060	0	1	GEAF	
COc1cc([C@@H]2c3cc4c(cc3[C@H](N)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O	5882583	WZTRSUUEQXXWCN-BTINSWFASA-N	399.399	2.073	0	1	GEAF	
COc1ccc(OCc2cc(C(=O)N[C@H](C)Cn3cncn3)no2)c(Cl)c1	14977994	XGURBZXMKTWKCL-LLVKDONJSA-N	391.815	2.326	0	3	GEAF	
NCCNS(=O)(=O)c1ccc(NC(=S)NCc2ccc(Cl)cc2)cc1	1857591996	ROQMCNCXSZRSPS-UHFFFAOYSA-N	398.941	2.064	0	1	GEAF	
CC(=O)[C@@H]1[C@H](c2cccc(Br)c2)NC(=O)N[C@]1(O)C(F)(F)F	4162861	CWAAEQZINSDVHP-JFGNBEQYSA-N	381.148	2.259	0	1	GEAF	
C[C@H]1CN(c2c(F)cc3c(=O)c(C(=O)O)cn([C@@H]4C[C@@H]4F)c3c2F)CCN1	27083667	ZKANFWGDCSTQRW-LJUAHTATSA-N	381.354	2.059	0	1	GEAF	
CN1CCN(CCCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@H]2c2ccoc2)CC1	104187677	GDCOFKMRUHCEHA-CTNGQTDRSA-N	396.491	2.125	0	1	GEAF	
CCCCN1C(=O)[C@@H](CC(=O)NCc2ccco2)CC(C(=O)N(C)C)=C1C	61923410	CEWAEWFBZPJEGR-OAHLLOKOSA-N	375.469	2.297	0	3	GEAF	
COC(=O)C1=CCC[C@@H]2[C@]1(CO)CC[C@H](C)[C@@]2(C)CCC1=C[C@@H](O)OC1=O	2356564768	BYFSMZRCILPVAM-GZAKAODSSA-N	378.465	2.493	0	1	GEAF	
COc1cc(O)c2c(c1Cl)C=CC[C@H](O)[C@H](O)[C@H](O)C=CC[C@H](C)OC2=O	2356713166	ASZQCWYVQBKBBJ-WRRPDLTESA-N	398.839	2.045	0	1	GEAF	
CCN(CC)S(=O)(=O)N[C@@H]1C[C@H]2c3cccc4[nH]cc(c34)C[C@@H]2N(C)C1	608363	YHEIHLVIKSTGJE-HFTRVMKXSA-N	376.526	2.057	0	1	GEAF	biogenic
COCCCNC(=O)[C@@H]1CCCN1c1nc(-c2cc(O)cc(O)c2)cs1	82195556	COFIRKRODGBYCL-INIZCTEOSA-N	377.466	2.343	0	1	GEAF	
CC(=O)N1[C@H](CO)[C@H](c2ccc(-c3cccnc3)cc2)[C@@H]1CNC(=O)C1CCC1	95794107	UFLXHXFNDHCJFO-BHDDXSALSA-N	393.487	2.340	0	1	GEAF	
C[C@@H](C(=O)N1CCN(c2ccccc2C(F)(F)F)CC1)N1C(=O)C[C@@H](C)C1=O	653780450	HICBEGXBNDGOAY-OLZOCXBDSA-N	397.397	2.138	0	1	GEAF	
O=S(=O)(c1ccc2nc(C3(c4ccccc4O)CC3)[nH]c2c1)N1CCOCC1	586896630	GBWMKTPCMNMFOP-UHFFFAOYSA-N	399.472	2.369	0	1	GEAF	
CCCS(=O)(=O)N1CCC(c2nc3cnc(C(F)(F)F)[nH]c-3n2)CC1	586951946	CPXXBWUCZVASDJ-UHFFFAOYSA-N	377.392	2.243	0	1	GEAF	
CCCc1c(O)ccc2c1O[C@@](CS(N)(=O)=O)(c1ccccc1N)CC2=O	587482793	DVJLCABQCNUCNH-IBGZPJMESA-N	390.461	2.076	0	1	GEAF	
O=C(Cn1ncc2c(=O)oc3ccccc3c21)NC[C@H]1COc2ccccc2O1	5004070	XTGMQXNJOKCQEV-ZDUSSCGKSA-N	391.383	2.099	0	3	GEAF	aggregator
COc1ccc(OCC2CN(S(=O)(=O)c3ccc4c(c3)OCO4)C2)cc1	1857765716	XPJKBJZWXNNWSY-UHFFFAOYSA-N	377.418	2.123	0	1	GEAF	
CN1CCN(c2ncc3c(n2)sc2c(=O)n(-c4ccccc4)cnc23)CC1	1860141	SERKAFCKSHKHDK-UHFFFAOYSA-N	378.461	2.142	0	1	GEAF	
CO[C@@H]1C[C@](C)(NC(=O)C(F)(F)F)[C@@H]2O[C@H](c3ccccc3)OC[C@H]2O1	35942622	JSDNZWQQFHOALK-SGPHBRAGSA-N	375.343	2.299	0	1	GEAF	
O=C(N[C@@H]1CO[C@H]2[C@@H](n3cc(CC4CCCCC4)nn3)CO[C@@H]21)c1ccco1	36367320	LPIDSFBINCSQHP-JFRXWTBNSA-N	386.452	2.131	0	1	GEAF	biogenic
CCOc1c(N2CCC[C@H](N)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12	39180250	QOWSHGZRBCDUJL-NSHDSACASA-N	389.427	2.500	0	1	GEAF	
CN1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)CC1	40423404	IVWVPBNVKQKJHI-UHFFFAOYSA-N	380.423	2.041	0	1	GEAF	
CC(C)[C@H]1Cn2c(c(NCc3ccoc3)c(=O)n(Cc3ccncc3)c2=O)N1	82206230	UTTIWXLLSVTCJS-MRXNPFEDSA-N	381.436	2.109	0	1	GEAF	
COCC(=O)NC[C@H]1[C@@H](c2ccc(C3=CCCC3)cc2)[C@@H](CO)N1C(=O)C1CC1	95895875	QFILKHAMRPHMJJ-TUNNFDKTSA-N	398.503	2.082	0	1	GEAF	
CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1C[C@H](C(N)=O)C2	101095669	RHXKGFMFYVEJCA-MYOBPDTASA-N	380.872	2.140	0	1	GEAF	
C[C@H]1CNCCN1c1nc2c(C(=O)NC3C[C@H]4CCC[C@H](C3)N4C)cccc2o1	101372684	QWZXRDUZUQKTLV-USXIJHARSA-N	397.523	2.371	0	1	GEAF	
NS(=O)(=O)c1cccc(CN2CCC[C@H](Nc3ccc4[nH]ncc4c3)C2)c1	113343416	JSQRFMBGAVZKFV-KRWDZBQOSA-N	385.493	2.287	0	1	GEAF	
Cc1cc(C)nc(N2C[C@@H]3CN(C(=O)c4ccnn4-c4ccccc4)C[C@H]3C2)n1	116823106	VIHDZDWPQOPCLB-ROUUACIJSA-N	388.475	2.488	0	1	GEAF	
O=C(Nc1cnn([C@@H]2CCOC2)c1)c1ccc2cc3n(c2c1)CCCNC3=O	218271915	NHIOSTPLBWWGSS-MRXNPFEDSA-N	379.420	2.185	0	1	GEAF	
C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2c(Cl)cnc(Cl)c2[nH]1	586937886	GRRWEIJKVHTEIQ-ZCFIWIBFSA-N	375.241	2.038	0	1	GEAF	
O=C(OCc1ccccc1)N1C[C@@H]2Cc3nc4nc(O)nc(O)c4cc3[C@@H]2C1	587558898	VBOQDYMAXKWBBI-SWLSCSKDSA-N	378.388	2.344	0	1	GEAF	
N[C@@H](CCOc1ccc(O)n1-c1cc(F)c(Br)cc1F)C(=O)O	587943695	NVUBNMJYTMDMIJ-JTQLQIEISA-N	391.168	2.404	0	1	GEAF	
CN(C)/C=C1\C[C@H]2C(=O)N(Cc3ccc(Cl)cc3Cl)[C@H](N(C)C)N2C1=O	1911576180	WQZLSPMSILYBRI-NMKXCRQWSA-N	397.306	2.227	0	1	GEAF	
CC=C(C)C(=O)O[C@@H](c1cc2ccc(=O)oc2cc1OC)[C@@H](O)C(C)(C)O	2356410701	BAHUBXAYVOCLNA-ZWKOTPCHSA-N	376.405	2.484	0	1	GEAF	
CC(=O)NC[C@H]1CN(c2ccc(-n3cnc(Br)c3)c(F)c2)C(=O)O1	3822595	JVUFKEBEKRLMKB-NSHDSACASA-N	397.204	2.235	0	1	GEAF	
Cc1cc(=O)n(CC(=O)NCc2ccc(OC(C)C)cc2)c2c1c(C)nn2C	6916225	ZHJRSUVYBDHOLT-UHFFFAOYSA-N	382.464	2.455	0	1	GEAF	
COc1ccc(OC2CCN(C(C)=O)CC2)c(C(=O)N2CCC[C@H](OC)C2)c1	39356780	ONOWGYAVEWMJSF-SFHVURJKSA-N	390.480	2.336	0	1	GEAF	
COc1cc([C@@H](O)[C@H](CO)Oc2c(OC)cc(C(C)=O)cc2OC)ccc1O	14821396	JMORGSSZTVVOFT-RBUKOAKNSA-N	392.404	2.094	0	1	GEAF	biogenic
NC(=O)c1ccc2c(c1)nc(Nc1ccc(F)cc1)n2CCN1CCOCC1	82191461	BYHDFSTXVHAZQH-UHFFFAOYSA-N	383.427	2.350	0	1	GEAF	
CN1CCOc2cc(-c3cc4ncccc4c(OC[C@@H]4CNC(=O)C4)n3)cnc21	141863141	UOECNKIDCIICKR-ZDUSSCGKSA-N	391.431	2.035	0	1	GEAF	
O=C1c2ccccc2C(=O)N1C1CCN(Cc2cccc(OCCO)c2)CC1	95798302	LFVNGKYKODFRIM-UHFFFAOYSA-N	380.444	2.318	0	1	GEAF	
O=C(C[C@H]1CC[C@@H](NC(=O)CC2CC2)[C@H](CO)O1)NCc1ccc(Cl)cc1	95677585	QFAVGRCFIOJHOR-KURKYZTESA-N	394.899	2.171	0	1	GEAF	
CS(=O)(=O)c1ccc(C(=O)CCc2nc3cc4nc(O)[nH]c4cc3[nH]2)cc1	586926970	SCTMZECJORZIMG-UHFFFAOYSA-N	384.417	2.364	0	1	GEAF	
COc1ccccc1COC(=O)Cc1cnn2c1n[n+]([O-])c1ccc(Cl)cc12	13492639	UJXWUBFBPWEVCF-UHFFFAOYSA-N	398.806	2.464	0	1	GEAF	
COc1c(/C=C/C(=O)O)c(NS(=O)(=O)c2cccs2)cc2c1OCCO2	1857656344	ZJQVMLWAOXZVHE-SNAWJCMRSA-N	397.430	2.427	0	1	GEAF	
C[C@H]1CCC[C@@H](NC(=O)c2ccc3c(=O)n(C[C@@H]4CCCO4)c(=O)[nH]c3c2)[C@@H]1C	4004964	JGUMGGFTYRSCNL-JSSFPYSZSA-N	399.491	2.423	0	1	GEAF	
O=C1C[C@@]2(C(=O)N1)c1ccccc1S(=O)(=O)N2Cc1ccc2ccccc2c1	13651436	SSBKQAHZJKIYDC-NRFANRHFSA-N	392.436	2.286	0	1	GEAF	
O=C([C@@H]1CN[C@H](C(=O)N2CCCC2)C1)N1Cc2cc(Cl)c(Cl)cc2C1	14949302	XDUYJOAVSBIXIG-ZBEGNZNMSA-N	382.291	2.436	0	1	GEAF	
OC[C@@H](O)CNc1cc2ncnc(Nc3cccc(Br)c3)c2cn1	21289124	JLXPNVOGDZTOJF-LBPRGKRZSA-N	390.241	2.296	0	1	GEAF	
CC(C)NC[C@H]1CCN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C1	28095454	HNYWCONSJWPVSY-GFCCVEGCSA-N	388.443	2.393	0	1	GEAF	
CC(C)(C)c1ocnc1/C=c1\[nH]c(=O)/c(=C/c2cc3ccccc3s2)[nH]c1=O	34987420	MAXXUTJPCHURPS-VULZFCBJSA-N	393.468	2.221	0	1	GEAF	
CCOC(=O)N1CCC(NS(=O)(=O)c2ccc(N)c3ccccc23)CC1	35242617	FQJWVYWTOPOBBF-UHFFFAOYSA-N	377.466	2.321	0	1	GEAF	
CCCCSc1nc(N)c2[nH]c(=O)c(=O)n(Cc3c(F)cccc3F)c2n1	40835810	LKVFFBANIMHMRD-UHFFFAOYSA-N	393.419	2.281	0	1	GEAF	
CN1CCC[C@H](C(=O)Nc2ccc(-n3cc4cccc(C(N)=O)c4n3)cc2)C1	45387723	KSJYCVBFZSQHMK-HNNXBMFYSA-N	377.448	2.405	0	1	GEAF	
CC(C)(C)c1cc(NC(=O)N2CCCN(C(=O)[C@H]3CCCOC3)CC2)no1	71318881	XETLDNBDDCFPRP-AWEZNQCLSA-N	378.473	2.465	0	1	GEAF	
O=C(c1csc(Nc2ccccc2)n1)N1CCC[C@H](C(=O)N2CCNCC2)C1	82081476	NHKHSAVIZKODFU-HNNXBMFYSA-N	399.520	2.171	0	1	GEAF	
CC(C)CN(C[C@H]1N[C@@H](CO)[C@@H]1c1ccc(-c2cncnc2)cc1)C(=O)C1CC1	95662953	FMXDMJMBSPEFSX-BHIFYINESA-N	394.519	2.455	0	1	GEAF	
O=C(O)C[C@@H](Cc1ccc(-c2cccc(Cl)c2)cc1)NC(=O)c1nn[nH]n1	166174372	AGMDDGBZRAZZDC-OAHLLOKOSA-N	385.811	2.336	0	1	GEAF	
CN1C[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2[C@@]12C(=O)Nc1ccc(Cl)cc12	195448784	DILGOMWLIDDFQA-RISOHXOYSA-N	381.819	2.239	0	1	GEAF	
O[C@@H]1CS[C@@H](n2cnc3c(NCc4cccc(F)c4)nc(Cl)nc32)[C@H]1O	202795467	YIHCHMWFJKTKDU-IFUGULHKSA-N	395.847	2.198	0	1	GEAF	
COc1c2c(cc3c1-c1cc4c(CO)c5c(cc4c[n+]1CC3)OCO5)OCO2	222485351	OWCMZHAONWJGAF-UHFFFAOYSA-N	380.376	2.309	0	1	GEAF	
O=C1O[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@@H](O)O[C@@H](c3ccc4c(c3)OCO4)[C@H]12	238775402	KRRNYMLYOLMYMS-GFEQUFNTSA-N	384.340	2.064	0	1	GEAF	
O=S(=O)(c1ccc2nc(C3(c4ccc(O)cc4)CC3)[nH]c2c1)N1CCOCC1	586897928	AAYUJNSWPNUYDY-UHFFFAOYSA-N	399.472	2.369	0	1	GEAF	
CCOC(=O)[C@H]1C(=O)N(C)CC[C@@]12c1cccc(Br)c1CCN2C	963290487	XBSVTGKMSUTIDY-CRAIPNDOSA-N	395.297	2.174	0	1	GEAF	
Cc1cnc(CNc2cc(OC[C@H]3C[C@H]3c3ccn(C)n3)nn(C)c2=O)s1	1772635733	RAKXFHBXDYEKCX-CHWSQXEVSA-N	386.481	2.073	0	1	GEAF	
C[C@]1(CO)CN(Cc2ccccc2)C[C@@H]2CN(C(=O)Cc3ccccc3)CCN21	2356303332	QSRAXLIKHQWSMY-ISKFKSNPSA-N	393.531	2.009	0	1	GEAF	
COC(=O)N1c2ccccc2[C@H]2[C@H]3N4CCC[C@@]35CC[C@]21[C@@](O)(C5)C(=O)CC4	2356441591	XOIGPMIFRQEUAS-ZQONDGBOSA-N	382.460	2.448	0	1	GEAF	
COc1ccccc1-n1c(SCC(=O)N2CCOCC2)nc2cccnc21	4853594	KCIRMNFNSUFWQG-UHFFFAOYSA-N	384.461	2.380	0	3	GEAF	
O=C(Nc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)cc1)Nc1nncs1	4177409	VCYGYGXZDLJGCA-DJBIQUGXSA-N	381.417	2.494	0	1	GEAF	
OC[C@@H]1[C@H](O)C[C@H](NC2CCC(F)(F)CC2)[C@@H]1Cc1ccnc(C2CC2)n1	2356287000	BOJKKHGDLSOGQC-VSZNYVQBSA-N	381.467	2.422	0	1	GEAF	
Cn1c(=O)c2c(nc3n2CCCN3Cc2ccc(Cl)c(Cl)c2)n(C)c1=O	103249941	XKLZYWHDWOKHAZ-UHFFFAOYSA-N	394.262	2.151	0	1	GEAF	
CN(C(=O)C(C)(C)C)[C@H]1C[C@H]2c3[nH]c4ccccc4c3CCN2C(=O)[C@H]1CO	61924232	NLDWELIEXKYVGQ-SZMVWBNQSA-N	383.492	2.479	0	3	GEAF	
Cc1ccc(NC(=O)C(=O)CC(=O)c2c(C)n(O)c3ccccc3[n+]2=O)cc1C	138311553	GLUFGTAPVJCUSL-UHFFFAOYSA-O	394.407	2.499	0	1	GEAF	
O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2CC2CCCCC2)O1)NCC1CC1	95885624	BDMSGZPXHUILRR-JSXRDJHFSA-N	394.556	2.092	0	1	GEAF	
COC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@@H]1N2CC1CC1	95879262	BVPWCRNVXZHRJW-PBASOCQRSA-N	394.471	2.062	0	1	GEAF	
O=C1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3Cc2ccccc2)[C@H]1O5	142441052	BQBZWCBDBSMPNH-HGSOSGBHSA-N	377.440	2.316	0	1	GEAF	
N=C(N)c1ccc([C@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3[C@@H]3CCCN32)cc1	261158789	QKVYJJDWLBNNSF-HAGHYFMRSA-N	388.471	2.291	0	1	GEAF	
Cc1oc(CNS(C)(=O)=O)cc1-c1nc2cc3c(cc2[nH]1)OCCCO3	586945241	BWKFRUQUBUUDMW-UHFFFAOYSA-N	377.422	2.342	0	1	GEAF	
CCOC(=O)[C@H]1C[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)C[C@H]1C(=O)OCC	587399376	JMZIYIIPYUXXOG-VTEUUUEMSA-N	375.421	2.434	0	1	GEAF	
COC(=O)C(=O)C[C@]1(c2ccc(OC)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	587441600	HVGZQPGOSAJSKM-OPAMFIHVSA-N	396.395	2.479	0	1	GEAF	
COc1c(C(=O)O)cc(CCn2cnc3c2NC=NC[C@@H]3O)c2c1CCCC2	13861934	IMHIJBVQLDLZAX-INIZCTEOSA-N	384.436	2.199	0	1	GEAF	
COc1ccc(NC(=O)c2[nH]cnc2C(=O)N[C@@H](C)C(=O)OC(C)(C)C)cc1	15952242	HPBBNVBXLGIGAL-NSHDSACASA-N	388.424	2.131	0	3	GEAF	
O=C(O)[C@H]1CCCC[C@H]1C(=O)N1CCc2ccccc2[C@H]1CN1C(=O)CCC1=O	1857636646	IOTCJAZBVIBCPM-FGTMMUONSA-N	398.459	2.152	0	1	GEAF	
CCN(CC)CCCNC(=O)CN1C(=O)[C@@H](c2ccccc2)Oc2cccnc21	6796036	MIUFZIWQTGZNSI-HXUWFJFHSA-N	396.491	2.396	0	1	GEAF	
CC[C@H](C)O[C@H]1C(=O)N2C(C(=O)OC(C)(C)C)=C(COC(C)=O)CS[C@H]12	26568161	GEKKKOGMENHPOP-JMPLFQLZSA-N	385.482	2.244	0	1	GEAF	
COc1cc2nc(N3CCC(C(=O)NC(C)(C)C)CC3)nc(N)c2cc1OC	29222749	PMPJZORDBLICSP-UHFFFAOYSA-N	387.484	2.360	0	1	GEAF	
Cc1c[nH]c2ncnc(N3CC[C@](N)(CNC(=O)c4ccc(Cl)cc4)C3)c12	53276543	ZFGTXXFHVWNYLH-IBGZPJMESA-N	384.871	2.257	0	1	GEAF	
O=C(CNC(=O)c1csc(Nc2ccccc2)n1)NCCCN1CCCC1	82084916	XLEVDMXBMNGYCK-UHFFFAOYSA-N	387.509	2.219	0	1	GEAF	
CCOCn1c(Cc2ccccc2)c(I)c(N)nc1=O	84724308	GVSMIIJFRWPZKU-UHFFFAOYSA-N	385.205	2.015	0	1	GEAF	
NS(=O)(=O)c1ccc(Nc2nc(Cl)nc3cc4c(cc23)OCO4)cc1	103226722	HOPOBKDALJITRH-UHFFFAOYSA-N	378.797	2.403	0	1	GEAF	
CO[C@H]1C[C@]23CCN(C)C(=O)[C@H]4[C@@H](C)OC[C@@H]([C@@H]2N(C(C)=O)c2ccccc23)[C@@H]14	139443626	XLGWGETYTXOOFP-UUTLNBEMSA-N	398.503	2.208	0	1	GEAF	
CC=C(C)C(=O)OC[C@](O)(CO)c1ccc(COC(=O)[C@@H](C)CC)cc1O	2356483508	MGRZDBBGCVUJJM-RNODOKPDSA-N	380.437	2.171	0	1	GEAF	
CC[C@]1(O)CCc2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)[C@H]1C(=O)OC	5004090	INYMGFOOIHFPOO-JTSKRJEESA-N	396.395	2.217	0	1	GEAF	biogenic
O=C(NCc1cccs1)c1nc(O)c2nnn(Cc3ccc(F)cc3)c2n1	13116869	DWTBQJLQDBHTRE-UHFFFAOYSA-N	384.396	2.106	0	1	GEAF	
Cc1ccc2c(c1)N(C(=O)N1CCNCC1)Cc1c(C(=O)OC(C)(C)C)ncn1-2	13796002	KVLYQMWKFGMZDX-UHFFFAOYSA-N	397.479	2.481	0	1	GEAF	
COC(=O)[C@@]1(C)N[C@H](c2ccccc2OC)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21	19460663	VIOHLYIZTYKPAU-FBAVSBLXSA-N	394.427	2.077	0	1	GEAF	
Cc1ncc2c(c1-c1noc([C@H]3CCCN3C)n1)CCN(C(=O)c1cnc[nH]1)C2	19792515	DUVQLPRXWHKKQV-MRXNPFEDSA-N	393.451	2.128	0	1	GEAF	
Cn1c(CCOc2ccc(C[C@@H]3SC(=O)NC3=O)cc2)nc2cccnc21	26820367	UMPQVFXUVKKTHO-HNNXBMFYSA-N	382.445	2.484	0	1	GEAF	
CC(=O)Oc1ccccc1C(=O)O[C@]12[C@@H]3[C@H]4C[C@@H]5[C@@H]3[C@]3(OCCCN31)[C@H]1[C@H]5[C@@H]4[C@H]12	253652147	WHDRGMZULYIHPP-HDURCAMKSA-N	393.439	2.285	0	1	GEAF	
CN1CCO[C@@H](CNC(=O)Nc2cc3[nH]nc(-c4ccc(F)cc4)c3cn2)C1	261174795	UOTQZFSHVSDXBA-AWEZNQCLSA-N	384.415	2.216	0	1	GEAF	
COc1cc2ncn(Cc3cc(OC)c(OC)c(OC)c3)c(=O)c2cc1OC	299823412	DOXVUEKLXMAJFR-UHFFFAOYSA-N	386.404	2.488	0	1	GEAF	
O=C(Cc1ccc2c(O)nc(O)nc2n1)Nc1ccc(Br)cc1	587366142	KFVJZFYSDCTJHQ-UHFFFAOYSA-N	375.182	2.380	0	1	GEAF	
CC(C)(C)OC(=O)N1CCOC[C@@H]1[C@@H]1CCc2cc3c(O)nc(O)nc3nc21	587556577	BFWMLXVNIKHGLJ-WCQYABFASA-N	388.424	2.102	0	1	GEAF	
COc1cc([C@H]2N[C@H](C(=O)O)Cc3cc(OC(F)(F)F)ccc32)oc(=O)c1	962636374	NTOLBFKQMSWPLN-WFASDCNBSA-N	385.294	2.235	0	1	GEAF	
CN1[C@H]2CC[C@H]1CC(OC(=O)c1cn(S(C)(=O)=O)c3ccc(F)cc13)C2	1772645618	XBCUJRRSTVBXQA-STQMWFEESA-N	380.441	2.370	0	1	GEAF	
COc1ccc(CNC[C@@H]2COCc3nc4cc(NC(C)=O)ccc4n32)cn1	2356316817	RJGHIFOUPDCSNH-MRXNPFEDSA-N	381.436	2.259	0	1	GEAF	
C[C@H](OC(=O)C=Cc1ccc(O)cc1)[C@@H]1CC[C@H]([C@H](O)[C@H]2CC=CC(=O)O2)O1	2356767618	DEEHWRGXKJRSMV-YMXQSAFISA-N	388.416	2.117	0	1	GEAF	
COc1ccc(S(=O)(=O)N2CC=C(C(=O)Nc3nccs3)CC2)cc1	5068960	RSKGEYFWJCJPTG-UHFFFAOYSA-N	379.463	2.111	0	1	GEAF	
CN(C)c1ccc(C(=O)N[C@H]2CCN3C(=O)c4ccccc4NC(=O)[C@@H]3C2)cc1	8636547	HRUHYFIEOLBEHR-KXBFYZLASA-N	392.459	2.108	0	1	GEAF	biogenic
COc1cc(C2=NN(C(N)=O)[C@@H](Cc3ccccc3)C2)ccc1OCC(=O)O	28713553	MBHCWANZIIUEFS-HNNXBMFYSA-N	383.404	2.258	0	1	GEAF	
CCCc1cc(=O)oc2c(C)c(OCC(=O)N[C@H](CSC)C(=O)O)ccc12	33626108	OMYREZRZTQKMIA-CQSZACIVSA-N	393.461	2.365	0	1	GEAF	biogenic
CCc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)cc1	38279611	QPNWHIMAZBIEMR-ADAARDCZSA-N	392.879	2.008	0	1	GEAF	
CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccc(-c2ccccc2)cc1)C(=O)O	39346761	RIARJRRGHUXFAU-AABGKKOBSA-N	384.476	2.200	0	1	GEAF	
COc1cc(C)cc(OC)c1OC(=O)[C@H](CC(=O)N1CCCC1)N1CCCC1	40632088	SYWZHWHTKKHEEM-INIZCTEOSA-N	390.480	2.395	0	1	GEAF	
COc1ccc2[nH]cc(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)CC3)c2c1	40956418	QXXQFKJYCHTAPB-UHFFFAOYSA-N	391.427	2.344	0	1	GEAF	
C[C@@H](Cc1ccn(-c2ccc(O)cn2)n1)C(=O)NC1=C(C(=O)O)CC[C@@H](C)C1	49089753	MAQNNXDIBALTGA-OLZOCXBDSA-N	384.436	2.426	0	1	GEAF	
CC(C)(C)c1cc(NC(=O)N2CCCN(C(=O)NC3CCOCC3)CC2)no1	71316720	XLLSDLDDTCEZDH-UHFFFAOYSA-N	393.488	2.400	0	1	GEAF	
CCOc1ccccc1-c1nc(C(=O)NCC(=O)OCCN(C)C)cs1	82072381	ZFFVAPBLKVUQGK-UHFFFAOYSA-N	377.466	2.043	0	1	GEAF	
Fc1cccnc1Nc1ncc(-c2cnc3ccc(N[C@H]4CCNC4)nn23)cn1	146178871	ZUDKIWQMEOVEBH-ZDUSSCGKSA-N	391.414	2.238	0	1	GEAF	
Cc1nc([C@@H]2CCOC2)c2c(N3CCc4nn(C)c(C5CC5)c4C3)ncnn12	169711675	SYRPJHKMGQGRQF-CQSZACIVSA-N	379.468	2.110	0	1	GEAF	
N[C@H](C(=O)N1CC[C@@H](F)C1)[C@H]1CC[C@H](NC(=O)c2ccc(F)c(F)c2)CC1	253636627	UUCMWQOGZNNWGQ-GDLHICMESA-N	383.414	2.151	0	1	GEAF	
C[C@@H]1CN(CCn2cnnn2)CC[C@H]1N(C(=O)c1ccco1)c1ccccc1F	253782622	PBLWMPGMKFCGTH-NVXWUHKLSA-N	398.442	2.463	0	1	GEAF	
CC(C)(C)OC(=O)n1cc(C[C@@H]2NC(=O)[C@@H]3CCCN3C2=O)c2ccccc21	473110958	YMBWWWKPLURITN-RDJZCZTQSA-N	383.448	2.456	0	1	GEAF	
COc1ccc(S(=O)(=O)N[C@@H](c2nc3cc(C)cc(F)c3[nH]2)[C@H](C)O)cc1	586937117	KOKOVGHGDNFQCJ-MEDUHNTESA-N	393.440	2.419	0	1	GEAF	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCN(C(=O)C(F)(F)F)/C1=C/N(C)C)O2	587381392	HWPYSHAMOQZSSH-RKCSUWQLSA-N	383.370	2.479	0	1	GEAF	
Cn1c(O)nc2[nH]c(SCC(=O)c3ccc(Br)cc3)nc2c1=O	1857609996	UIZNETUVEYSCBR-UHFFFAOYSA-N	395.238	2.100	0	1	GEAF	
CC(C)(C)C(=O)NCc1ccc(Cl)c(C(=O)Nc2ncc(C(N)=O)[nH]2)c1	1857755763	OKKMFKLBGAPPTL-UHFFFAOYSA-N	377.832	2.077	0	1	GEAF	
CC=C(C)C(=O)O[C@@H]1C[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@H]1N2C	2356331744	OPGJHCLCUNWOSH-USYVTKNRSA-N	387.476	2.419	0	1	GEAF	
CC(=O)N[C@H]1CCN(C(=O)c2onc(-c3ccc(Cl)cc3)c2[C@@H](C)O)C1	2356560376	XQZSKLAETUWMCH-YGRLFVJLSA-N	377.828	2.399	0	1	GEAF	
COc1cc2c(cc1OC)[C@@H]1C(=c3c(OC)cc(OC)c(OC)c3=CN1C)C=C2	2356786282	ZRAYFMQPCKECOA-QFIPXVFZSA-N	395.455	2.332	0	1	GEAF	
O=C(NCc1ccncc1)[C@H]1Cc2c(-c3ccc4c(c3)OCO4)ccnc2O1	61904180	XRGJQDILOLSCGY-LJQANCHMSA-N	375.384	2.492	0	3	GEAF	
CCOC(=O)C1=CN(Cc2ccco2)S(=O)(=O)N[C@H]1c1cccc(OC)c1	61958870	BXKVOSXPVWWYNI-KRWDZBQOSA-N	392.433	2.127	0	3	GEAF	
CCN(CC)C(=O)c1oc2ccc(S(=O)(=O)N3CCOCC3)cc2c1C	2459895	KKUKVJLZGQKGLL-UHFFFAOYSA-N	380.466	2.244	0	1	GEAF	
CCC(=O)N1[C@H](C(=O)NCc2ccc(OC)cc2)CSC12CCN(C)CC2	6943482	MCHAMDVVCOUGPD-KRWDZBQOSA-N	391.537	2.087	0	1	GEAF	
Cc1cc(C(=O)N[C@@H]2[C@H](c3ccc(C(F)(F)F)nc3)C[C@@H](O)[C@H]2O)c(C)o1	2356286601	HOCJWKXOQLMRNP-SJXGUFTOSA-N	384.354	2.318	0	1	GEAF	
O=C(O)/C=C\C(=O)N1CCc2ccccc2[C@@H]1CN1C(=O)c2ccccc2C1=O	100114941	MCLSARXQUOZHDY-LPADLIQXSA-N	390.395	2.049	0	1	GEAF	
Cn1cnc2cc(-c3ccc(F)c(S(C)(=O)=O)c3)nc(NC3CC3)c2c1=O	115625389	ASFZSHVZKXYLJO-UHFFFAOYSA-N	388.424	2.112	0	1	GEAF	
CS(=O)(=O)NCCCn1c2c(c3ccccc31)C(=O)CN1CCCC[C@H]21	29220274	SJPFQEVCEBFITC-MRXNPFEDSA-N	375.494	2.304	0	1	GEAF	
c1ccc(CN[C@@H]2CO[C@@H]3[C@H]2OC[C@H]3n2cc(COc3ccccc3)nn2)cc1	2356861452	UJEYIAZWIUPQFL-CZYKHXBRSA-N	392.459	2.354	0	1	GEAF	
O=C([C@H]1CCCN1C(=O)c1csc(Nc2ccccc2)n1)N1CCCNCC1	82085422	DFRQMKCTMLEJQE-QGZVFWFLSA-N	399.520	2.313	0	1	GEAF	
COc1ccc(CNc2nc(N3CC[C@@H](NC(C)=O)C3)ncc2C)cc1OC	82204276	HWPUZYYSNGXIIP-MRXNPFEDSA-N	385.468	2.129	0	1	GEAF	
O=C(NCc1ccccc1F)[C@@H]1[C@H]2C=C[C@@]3(CN(Cc4ccccc4)C(=O)[C@H]13)O2	263590629	CZTWQOPZMQHHBS-UGTOYMOASA-N	392.430	2.424	0	3	GEAF	
O=C(NCc1ccccc1F)[C@H]1[C@H]2C=C[C@@]3(CN(Cc4ccccc4)C(=O)[C@H]13)O2	263590628	CZTWQOPZMQHHBS-NVJIOZQYSA-N	392.430	2.424	0	3	GEAF	
CCC(=O)N[C@H](O)[C@@]1(c2ccc(C)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	587430091	RBYUVSJSBOLZRZ-HVETUWLQSA-N	381.428	2.491	0	1	GEAF	
CCCc1c(O)ccc2c1O[C@](CC(=O)C(=O)OC)(c1ccn(C)n1)CC2=O	587474089	AWRWKXMDOWCDKC-HXUWFJFHSA-N	386.404	2.071	0	1	GEAF	
CC1(C)Oc2cc(O)ccc2[C@H]2[C@H]1C=Cn1c(=O)n(-c3ccccc3)c(=O)n12	1772570842	LOIMBROAWGVTSN-AEFFLSMTSA-N	377.400	2.367	0	1	GEAF	
COc1cccc(N2C(=O)[C@H]3CN(C(=O)c4cccc(F)c4)CCN3C2=O)c1	8295654	REZLUVTUNXWVFX-QGZVFWFLSA-N	383.379	2.128	0	1	GEAF	biogenic
CON(C)C(=O)c1ccc(-c2nc([C@H]3C[C@@](C)(O)C3)n3ccnc(N)c23)cc1	100619155	QYNADZNCSSSIHC-OYOVHJISSA-N	381.436	2.240	0	1	GEAF	
COC(=O)[C@@H]1C[C@@]23C4=C(CC[C@@H]41)CC[C@H]1CN4C[C@H](C)[C@@H](CC[C@@]12CO)[C@]43O	2356460720	GZPYJGXSOJGYKK-COAQOJKWSA-N	387.520	2.325	0	1	GEAF	
CC[C@@H]1[C@H](O)[C@H]2CN3CCc4c([nH]c5ccc(OC)cc45)[C@@](C(=O)OC)(C2)[C@@H]13	2356484436	UKYBFFVWOWRLGX-HPGHUOGLSA-N	384.476	2.235	0	1	GEAF	
COCC(=O)N[C@@H]1[C@@H](c2cccs2)N(C(=O)C2CCCCC2)CC[C@]1(C)O	2356735491	DAETYFYLNIUSPG-GGPKGHCWSA-N	394.537	2.484	0	1	GEAF	
S=C(NCCCNc1ccc(Br)cn1)NCCCc1c[nH]cn1	36382093	RFJRHSJTTWSUAM-UHFFFAOYSA-N	397.346	2.466	0	1	GEAF	
Cc1nc(-c2ccccc2)n2nc(Nc3ccc(S(N)(=O)=O)cc3)ncc12	45484792	OSGIHOCRIKNRJD-UHFFFAOYSA-N	380.433	2.491	0	1	GEAF	
Nc1ccc(C[C@@H](C(=O)O)c2cn([C@H]3CCN(c4ccccc4)C3=O)cn2)cn1	137971807	PZVHBTKXUXKQNV-AEFFLSMTSA-N	391.431	2.249	0	1	GEAF	
NCC(=O)N1CCn2c(nc(-c3ccccc3)c2Nc2ccc3c(c2)OCO3)C1	45369695	OYZYVBKQMLQLPM-UHFFFAOYSA-N	391.431	2.323	0	1	GEAF	
COc1cc([C@H]2Oc3cc(OC)c(OC)c(O)c3C(=O)[C@H]2OC)ccc1O	40939217	FGWIIZSOSPHUBV-IEBWSBKVSA-N	376.361	2.455	0	1	GEAF	
COc1cccc(CN2Cc3c(nc4cc(-c5ccco5)[nH]n4c3=O)C2=O)c1	138735875	WJGLAIIAZPVEIP-UHFFFAOYSA-N	376.372	2.447	0	1	GEAF	
Cc1c(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3[C@H]3C[C@H]32)c(=O)n(-c2ccccc2)n1C	195281722	QKMUGOSVGDEHFO-WJWMFLMHSA-N	375.428	2.042	0	1	GEAF	
O=C(CC1CC1)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(-c4cccnc4)cc3)[C@@H]2C1	95869591	DGHPVEHYJCHVCF-JTAQYXEDSA-N	391.471	2.046	0	1	GEAF	
CNS(=O)(=O)c1ccc(CCc2nc3ccc(Br)nc3[nH]2)cc1	586946357	KZXOTCGKYGQZJX-UHFFFAOYSA-N	395.282	2.414	0	1	GEAF	
COCCNC(=O)c1cccc(NC(=O)CCc2nc3cc(F)cnc3[nH]2)c1	587230933	JXQNBPWYIJRVGM-UHFFFAOYSA-N	385.399	2.045	0	1	GEAF	
CCOC(=O)C1=C(N)Oc2n[nH]c(C)c2[C@H]1c1cc(=O)oc2ccc(C)cc12	1772632893	PSMIBICBUVHJFV-MRXNPFEDSA-N	381.388	2.391	0	1	GEAF	
CN1[C@H]2COC[C@H]1CC(NC(=O)c1cn(CC(F)F)c3ncc(F)cc13)C2	1772607582	VXPZRGBBEWEYGJ-CHWSQXEVSA-N	382.386	2.032	0	1	GEAF	
CCOC(=O)CCCN1C(=O)CC(C[C@@H](O)[C@@H]2C[C@@H](C)C[C@H](C)C2=O)CC1=O	13557424	COOKZTOBKFVPNF-NXNVCVFFSA-N	395.496	2.097	0	1	GEAF	
C[C@H]1CCC/C=C\[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@H](SCCN(C)C)CC(=O)O1	169371882	ZJXSOJSUKVKAPM-WVILWNEGSA-N	385.570	2.460	0	1	GEAF	
NCCCCNCc1ccc(CNC(=O)c2csc3ncnc(O)c23)cc1	1857548355	LSRIPXYAPFAHFG-UHFFFAOYSA-N	385.493	2.155	0	1	GEAF	
C[C@@H]1CN(c2c(F)c(N)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)CCN1C	5929701	GDGYSVSPMGDVFQ-SECBINFHSA-N	392.406	2.035	0	1	GEAF	
COc1cccc(N2CCN(C[C@@H]3CN4C(=O)Nc5ccccc5C4=N3)CC2)c1	26286083	RFQQQVSVVJHXMB-MRXNPFEDSA-N	391.475	2.494	0	1	GEAF	
O=C(O)CNC(=O)[C@@H](Cc1ccccc1)C[C@H](COc1ccccc1)C(=O)O	27759620	CPYPLUDLRCSHAZ-DLBZAZTESA-N	385.416	2.216	0	1	GEAF	
COC(=O)[C@@H]1CN1[C@@H](CC(=O)OCc1ccccc1)C(=O)OCc1ccccc1	28530328	VEQLIWRZBIPKMI-GVLQVIKUSA-N	397.427	2.089	0	1	GEAF	
Cc1ccc2c(c1)CN(CCNC(=O)[C@@H]1CC(=O)N(CC(C)C)C1)C[C@H](C)O2	39353780	KFDBEKAQVWVNHA-PKOBYXMFSA-N	387.524	2.199	0	1	GEAF	
COC[C@@H](O)COc1ccc(C(C)(C)c2ccc(OC[C@H](O)CO)cc2)cc1	71318629	GCLSCNOGXASPBH-RTBURBONSA-N	390.476	2.131	0	1	GEAF	biogenic
COc1cc([C@H]2Oc3c(OC)cc4c(c3O[C@H]2CO)OC(=O)CC4)ccc1O	95911217	PVFWJJXEIREHOT-DOTOQJQBSA-N	388.372	2.134	0	1	GEAF	biogenic,in-vitro
CN(C)S(=O)(=O)Nc1cccc(-c2ccc3c(NC(=O)C4CC4)n[nH]c3c2)c1	584905601	GXQWWDBZTZLIAJ-UHFFFAOYSA-N	399.476	2.797	0	1	GEAF	in-vitro
CC(=O)N[C@H](CSCc1ccccc1)c1nc2[nH]c(=N)[nH]c(Cl)c-2n1	586972187	DMGZKJVJJPYVFJ-LLVKDONJSA-N	376.873	2.481	0	1	GEAF	
Nc1nc(O)c2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c2n1	587001693	PJOZJLMFMBKFMX-OWOJBTEDSA-N	390.197	2.345	0	1	GEAF	
Nc1nc(O)c2nc(CSCC(=O)Nc3ccc(C(F)(F)F)cc3)[nH]c2n1	587112771	CSNPOZGXFUSQTJ-UHFFFAOYSA-N	398.370	2.531	0	1	GEAF	
COc1ccc([C@@H]2C[C@H](O)[C@@H](O)[C@@H]2NC(=O)c2nc3ccccc3s2)cc1	2356306029	AFOKJUAAOYMUDZ-OXXUSNJHSA-N	384.457	2.313	0	1	GEAF	
COC(=O)c1ccc2c(c1)nc1n2[C@H](CNCc2ccc3c(c2)OCO3)COC1	2356429739	HBMPNIPDKRQAKT-OAHLLOKOSA-N	395.415	2.413	0	1	GEAF	
C[C@@H]1[C@H]2C[C@@]3(CC(=O)O2)[C@H](C)C[C@H](O)[C@@]3(O)[C@]1(C)COC(=O)c1ccccc1	2356651742	AGQLDIHTHSYJSO-YZBDYVDDSA-N	388.460	2.323	0	1	GEAF	
COC(=O)[C@@H]1C[C@@]23C4=C(CC[C@@H]41)CC[C@H]1CN4C[C@H](C)[C@@](O)(CC[C@@]12CO)[C@H]43	2356683930	HGIXVDMBHFEREO-BGLKCDBFSA-N	387.520	2.120	0	1	GEAF	
CCCS(=O)(=O)NC(=O)[C@@]1(C)CCCN(C(=O)c2cccc(Cl)c2)C1	61929933	QHGXYXGCIADYCJ-KRWDZBQOSA-N	386.901	2.438	0	3	GEAF	
O=C(NCc1ccccc1)c1nc2n(Cc3cccc(Cl)c3)[nH]nc-2c(=O)n1	103743394	SVOLMZUGLQMJSH-UHFFFAOYSA-N	394.822	2.098	0	3	GEAF	
Cc1ccc(NC(=O)Cc2cccc(F)c2)c(S(=O)(=O)N2CCOCC2)c1	201471744	UOMKIGFZRWXNJU-UHFFFAOYSA-N	392.452	2.336	0	3	GEAF	
COc1cccc(NC(=O)N2CCN(c3nnnn3-c3ccccc3)CC2)c1	1361411	YZDHKGFTEIWMIL-UHFFFAOYSA-N	379.424	2.025	0	3	GEAF	
C[C@H](SC(=S)N1CCOCC1)C(=O)Nc1nnc(-c2ccccc2)o1	1658300	FJJSHCMKYLCZMJ-NSHDSACASA-N	378.479	2.414	0	1	GEAF	
OC[C@H]1[C@H](Cc2ccnc(-c3ccccc3)n2)[C@@H](NCc2ccccn2)C[C@H]1O	2356491172	DYFZRJVDQAVGKL-MYGLTJDJSA-N	390.487	2.229	0	1	GEAF	
C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(c3ccc4c(c3)c3cccnc3n4C)C[C@H]12	3826285	WYFBYKWQPGSKGL-FDOKIQAASA-N	377.400	2.134	0	1	GEAF	
NC(=O)[C@H](Cc1ccc(OCCOc2ccc3c(c2)NCCC3)cc1)C(=O)O	27108626	MHWIEYHQINRSIW-SFHVURJKSA-N	384.432	2.231	0	1	GEAF	
O=C(Cc1cccc(F)c1)Nc1n[nH]c2ccc(N3CCCS3(=O)=O)cc12	29041376	SYQYDDZJODBESY-UHFFFAOYSA-N	388.424	2.423	0	1	GEAF	
O=C(C[C@@H]1CC[C@@H](NC(=O)CC2CC2)[C@H](CO)O1)NCc1ccc(Cl)cc1	95677583	QFAVGRCFIOJHOR-KSZLIROESA-N	394.899	2.171	0	1	GEAF	
Cc1cccc(N2CCN([C@H]3C(=O)Nc4ccccc4-n4nnnc43)CC2)c1C	95568112	BJLQAHHRAKUGOH-LJQANCHMSA-N	389.463	2.095	0	3	GEAF	
O=C(Nc1ccccc1F)N[C@@H]1CC[C@H](CC(=O)N2CCCCC2)O[C@@H]1CO	95675433	QWOFJLPZBFRYTI-ZTFGCOKTSA-N	393.459	2.258	0	1	GEAF	
O=C(C[C@H]1CC=CCCC(=O)OCCNC1=O)NCc1ccc(Cl)cc1	299811427	PIGMXBSUAPIWMM-OAHLLOKOSA-N	378.856	2.362	0	1	GEAF	
Cc1cccc(NC(=O)C[C@@H]2[C@H](O)CC[C@H]3[C@]2(C)CC[C@@H](O)[C@@]3(C)CO)n1	43554192	SFFUMXVMFHXQRN-PRRWYNNDSA-N	376.497	2.265	0	1	GEAF	biogenic
CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)N(CC(N)=O)c2ccccc21	587485719	KBVWMYHBDOYWDU-NRFANRHFSA-N	380.400	2.037	0	1	GEAF	
CN(C)S(=O)(=O)c1ccc2nc([C@H]3CSCN3C(=O)C(C)(C)C)[nH]c2c1	587043979	WQVOEFIRKPLNNL-CQSZACIVSA-N	396.538	2.433	0	1	GEAF	
N=c1[nH]cc2nc(-c3sccc3NS(=O)(=O)c3ccc(F)cc3)nc-2[nH]1	587170118	JAUILAKZHRIEBO-UHFFFAOYSA-N	390.425	2.385	0	1	GEAF	
Nc1nc([C@]2(C(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cs1	587613797	QEPMJYXNCAMYDS-UGSOOPFHSA-N	384.369	2.373	0	1	GEAF	
CCCc1nc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)nnc2C(N)=O)ccc1OC	169308335	FJSABKGERULOPQ-QWHCGFSZSA-N	399.499	2.357	0	1	GEAF	
COC(=O)[C@H]1C[N@]1[C@@H](CC(=O)OCc1ccccc1)C(=O)OCc1ccccc1	1857575157	VEQLIWRZBIPKMI-YCRNBWNJSA-N	397.427	2.089	0	1	GEAF	
CC1(C)CCC[C@]2(C)[C@@H]1[C@H](OC(=O)C=CC=CC(=O)O)C=C1COC(=O)[C@@]12O	2356424844	WWELYLJKFRXUQW-NVGWVTIJSA-N	390.432	2.156	0	1	GEAF	
Cn1cc(C(=O)C(=O)N2CCN(C(=O)c3ccccc3)CC2)c2ccccc21	3591144	BQMOORMQCXINHT-UHFFFAOYSA-N	375.428	2.346	0	1	GEAF	
C[C@@H]1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1c[nH]c2cnccc12	3648985	SXYMVJZFEUONDV-CQSZACIVSA-N	376.416	2.119	0	1	GEAF	
CCCCNc1ncc(C(=O)NC2CCOCC2)c(N[C@H]2CC[C@H](O)CC2)n1	103257294	CVMMQZHPZPFORW-FZNQNYSPSA-N	391.516	2.313	0	1	GEAF	
COc1ccc(CNC[C@@H](O)COc2ccc3ccc(=O)[nH]c3c2)cc1OC	27183472	ATYVRNLUODLHSY-MRXNPFEDSA-N	384.432	2.075	0	1	GEAF	
CC(C)CCN(C)C(=O)c1cnc2nc(N3CC[C@H](N)C3)c(F)cc2c1O	26998355	XEHZOMVJFXJHQY-LBPRGKRZSA-N	375.448	2.130	0	1	GEAF	
O=C(CNC(=O)c1ccc(N2CCOCC2)cc1)N[C@H]1CCCc2ccccc21	148557876	RVEYOVHMKNNIPI-NRFANRHFSA-N	393.487	2.447	0	1	GEAF	
C=CS(=O)(=O)N1C[C@H]2CC[C@H]1CN2C(=O)c1cc(C2CCCCC2)no1	618020235	OOHSHOBBDZFKKH-CABCVRRESA-N	379.482	2.484	0	1	GEAF	
O=S(=O)(c1ccc2nc([C@@H]3C[C@H](O)c4ccccc43)[nH]c2c1)N1CCOCC1	586900939	FNYNQGUHICDYOX-APWZRJJASA-N	399.472	2.153	0	1	GEAF	
CCOC(=O)C(=O)C[C@]1(C(F)F)NCCc2cc3cccc(OC)c3nc21	963050709	CUEUHSYUXSDJTR-IBGZPJMESA-N	378.375	2.372	0	1	GEAF	
CC(C)C(C)(C)N1CCc2c(-c3cnc(N)nc3)nc(N3CCOCC3)nc21	1772624356	DLDRMQCFJQXXFY-UHFFFAOYSA-N	383.500	2.150	0	1	GEAF	
O=C(N[C@@H]1CCCc2ccccc21)C1CCN(S(=O)(=O)c2c[nH]cn2)CC1	5155466	PBHAFCFWZRJQJY-QGZVFWFLSA-N	388.493	2.004	0	3	GEAF	
COc1cc([C@@H]2c3cc4c(cc3[C@@H](N)[C@@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O	5882589	WZTRSUUEQXXWCN-GBRSUSRYSA-N	399.399	2.073	0	1	GEAF	
COc1cccc(CN2CCC[C@]3(CCN(Cc4nccn4C)C3)C2=O)c1OC	11819746	HSGYVSKBEMYSOG-JOCHJYFZSA-N	398.507	2.452	0	1	GEAF	
CC(C)(C)C(=O)OC[C@@H]1C(=O)OC[C@H]1C(=O)N1Cc2cc3ccccc3nc2C1	13214630	CXOSVPBPIYWQCY-CVEARBPZSA-N	396.443	2.456	0	1	GEAF	
Cc1ccsc1S(=O)(=O)n1c(CN2CCOCC2)nc2ccccc21	203475476	FAYRLPCVCMLKCC-UHFFFAOYSA-N	377.491	2.475	0	3	GEAF	
Nc1ncnc2c1ccn2[C@@H]1C[C@H](Sc2ccc(Cl)cc2)[C@@H](O)[C@H]1O	1857600908	MHLOCKTYXIORPC-CBBWQLFWSA-N	376.869	2.494	0	1	GEAF	
Cc1ccc2cc(Cn3cc(C(=O)N[C@H]4CCc5[nH]c(=N)ccc54)nn3)ccc2n1	1857638242	DIWKOOBICROCPL-IBGZPJMESA-N	399.458	2.408	0	1	GEAF	
O=C(CCCn1c(=O)[nH]c2cc(Cl)ccc2c1=O)NCCc1ccccc1	6733158	MDVAGWXVBJGPJX-UHFFFAOYSA-N	385.851	2.482	0	1	GEAF	
CC(=O)OCCCC[C@H](C)[C@H](OC(=O)[C@H](C)OC(C)=O)[C@@H](C)COC(C)=O	2356534476	CVXBSCIZJSRZCZ-NUXNZHGMSA-N	388.457	2.419	0	1	GEAF	
CC(C)CNS(=O)(=O)c1ccc(Br)cc1N1CCC[C@@H]1CO	61944678	BICJYRQFMMTUSN-CYBMUJFWSA-N	391.331	2.345	0	3	GEAF	
CCN1CCC[C@H]1CNC(=O)c1c(Br)c(OC)cc(O)c1OC	64446906	CVXIMYJJWYDMCF-JTQLQIEISA-N	387.274	2.386	0	1	GEAF	
C[C@@H](NC(=O)[C@]1(Cc2ccccc2)CCN1C(=O)OCc1ccccc1)C(N)=O	33818867	WJMNYZMSFOBXQL-OPAMFIHVSA-N	395.459	2.000	0	1	GEAF	
COc1ccc([C@H](O)[C@H](CO)Oc2ccc(CCCO)cc2OC)cc1OC	14438062	HXOSLWKKWGVPFQ-SFTDATJTSA-N	392.448	2.111	0	1	GEAF	biogenic
COCCCNC(=O)c1cnc(NCCCOC)nc1-c1ccccc1F	82150380	KXCGSSFXRNVQNN-UHFFFAOYSA-N	376.432	2.497	0	1	GEAF	
O=c1nc(OC[C@H]2COCCO2)cc2n1CCc1cc(-c3ccncc3)ccc1-2	142929258	RDXHLXPVIQVMJC-GOSISDBHSA-N	391.427	2.323	0	1	GEAF	
O=C(O)C[C@H](O)Cc1nc2c(Br)ccc(Br)c2[nH]1	586890734	ORKNMLROMOVNOJ-RXMQYKEDSA-N	378.020	2.466	0	1	GEAF	
C[C@@H](C(=O)O[C@H](C)C(=O)c1ccccc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1C=C[C@H]2[C@@H]2C[C@H]12	13153898	PJEWTIDBYNHYEL-RDAWIUCLSA-N	393.439	2.243	0	1	GEAF	
O[C@H](COCCOC[C@@H](O)Cc1c[nH]nn1)Cc1ccc(-c2ccccc2)cc1	169308010	SGEGFSQRWHXHPT-VXKWHMMOSA-N	397.475	2.012	0	1	GEAF	
CNc1ccc2c(Nc3cc(S(=O)(=O)NC)ccc3N(C)C)ncnc2c1	165892444	GSRJICYGMFRKNT-UHFFFAOYSA-N	386.481	2.389	0	1	GEAF	
NC[C@H](NC(=O)c1ccc(-c2ccc(Cl)cn2)[nH]1)c1ncc(CO)s1	1857535240	XBKGTFMYROZVLH-AWEZNQCLSA-N	377.857	2.109	0	1	GEAF	
COC(=O)Cc1ccc(OC[C@H](O)CN2CCN(c3cccc(C)c3)CC2)cc1	1857640266	RMFMWGQRUZNGOR-OAQYLSRUSA-N	398.503	2.272	0	1	GEAF	
C[C@]1(O)CCN(S(C)(=O)=O)[C@@H](c2cccs2)[C@H]1NC(=O)c1ccccc1	2356288592	HSQCFHHNGMKSEM-JZXOWHBKSA-N	394.518	2.004	0	1	GEAF	
COc1ccc([C@H]2Cc3nc(N)nc(C)c3C(=O)N2)c(-c2cccc(OC)n2)c1	117713001	BMXFLWCPBQXDMF-MRXNPFEDSA-N	391.431	2.474	0	1	GEAF	
C[C@@H]1Cc2cc3c(cc2C(c2ccc(N)cc2)=NN1C(=O)CN(C)C)OCO3	25987489	VEVUOGVEZTZYQB-CYBMUJFWSA-N	380.448	2.085	0	1	GEAF	
COc1ccc([C@H](O)[C@H](CO)Oc2ccc(C=CCO)cc2OC)cc1OC	2356639139	GAYRERFQJBZHBH-SFTDATJTSA-N	390.432	2.191	0	1	GEAF	
N[C@H]1NC=Nc2c(CN3C[C@H](O)[C@H](CSc4ccc(Cl)cc4)C3)c[nH]c21	34803686	XOHKNCJZSMLXPF-QITLCBANSA-N	391.928	2.473	0	1	GEAF	
O=C(NCc1ccccc1)[C@@H]1[C@@H]2C(=O)N(Cc3cccs3)C[C@@]23C=C[C@H]1O3	227271148	IILVDRCTCCJXCW-IIMDRIAPSA-N	380.469	2.347	0	1	GEAF	
NCCn1cc(S(=O)(=O)c2c(Cl)nc3sccn23)c2ncccc21	45287720	KBAUSYLLJIMALV-UHFFFAOYSA-N	381.870	2.190	0	1	GEAF	
COc1ccc([C@]2(C(C)=O)c3cc4c(cc3C(=O)[C@]2(C)O)OCO4)cc1OC	238783000	MEAISABYZJYHCH-LEWJYISDSA-N	384.384	2.255	0	1	GEAF	
COc1cccc(C(=O)Nc2cc3cnc(NCCN(C)C)cc3n(C)c2=O)c1	653878492	NOFMVTPUSGPHPO-UHFFFAOYSA-N	395.463	2.168	0	1	GEAF	
CCCCS(=O)(=O)N[C@H](c1nc2ccc(S(=O)(=O)O)cc2[nH]1)C(C)C	586933278	OTDTTZDERLKRQH-AWEZNQCLSA-N	389.499	2.226	0	1	GEAF	
Cn1nc(C(=O)O)c(I)c1-c1nc2c(F)cccc2[nH]1	587180501	SGEMHLGLRNQFDB-UHFFFAOYSA-N	386.124	2.405	0	1	GEAF	
COc1cc2c3c(c1)O[C@@]1(C(=O)N4CCCc5cc(C(=O)O)cc1c54)[C@@H](C2)C3=O	587439284	UTPUPXUCKSHLSM-OYHNWAKOSA-N	391.379	2.329	0	1	GEAF	
CC1=C(C(=O)N2CCN(C(=O)c3ccco3)CC2)C2(CCC(C)CC2)OC1=O	5058817	ALOGNXWMTROIPJ-UHFFFAOYSA-N	386.448	2.386	0	3	GEAF	
O=c1c2c(O)cc(O)c(I)c2ncn1-c1ccc(O)cc1	13685401	CTRQGFMTOJOIDH-UHFFFAOYSA-N	396.140	2.107	0	1	GEAF	
OC[C@@H]1C[C@H](Oc2cccc3ccc(-c4nnc5ccccn45)nc23)CCN1	169694748	XXSRLUNTWYTWGT-JKSUJKDBSA-N	375.432	2.436	0	1	GEAF	
CCn1ncc(-c2nc3c(N[C@H]4CC(=O)N(CC(C)C)C4)ncnc3n2C)c1C	220312002	CBJZJWGYMFLHTH-AWEZNQCLSA-N	396.499	2.224	0	1	GEAF	
CO[C@@H]1C[C@@]2(OC)O[C@@]1(C)C[C@H](OC(=O)C(C)C)[C@H]1CC(=O)O[C@@H]1C=C2C	2356288096	WDVVORIJANIPCL-KQDWJIRRSA-N	382.453	2.373	0	1	GEAF	
CC1=C2CC[C@]3(C[C@H](C)C(=O)O3)[C@@H]3CC[C@H]([C@@H]4C[C@H](C)C(=O)O4)N3[C@@H]2OC1=O	2356449083	ZWFSQWLYDLATHD-WFRYQJALSA-N	389.448	2.086	0	1	GEAF	
COc1cc(C2=NN(C(N)=O)[C@H](c3ccc(O)cc3)C2)ccc1OCC(=O)O	28713534	GZXJNDZVHVLNAW-HNNXBMFYSA-N	385.376	2.094	0	1	GEAF	
CC[C@@H]1OC(=O)[C@H](C)C(=O)[C@@]2(O)CO[C@@](OC)(C[C@@H](C)CC(C)=C[C@@]1(C)O)C2	2356644511	JLVZVGQWWZKQQV-IKTXBNCXSA-N	398.496	2.135	0	1	GEAF	
CC(C)n1cc(NC(=O)Cn2cc(-c3ccc4c(c3)OCCC4=O)cn2)nn1	23582191	FCSWCJZDPPDMNB-UHFFFAOYSA-N	380.408	2.326	0	1	GEAF	
CC1(C)Oc2cc(O)ccc2[C@@H]2C1=CCn1c(=O)n(Cc3ccccc3)c(=O)n12	72107610	CXUYSEPLEXRONV-LJQANCHMSA-N	391.427	2.266	0	1	GEAF	
Cc1nc2cccc(-c3cc4c([nH]3)CCNC4=O)c2nc1N[C@@H]1CCCNC1	222225492	FAUDAQJUMHDILO-CYBMUJFWSA-N	376.464	2.383	0	1	GEAF	
C=C1C=C(C(=O)OCC)Oc2c(CO)c3c(c(OC)c21)C[C@@H](C(C)(C)O)O3	85595051	GGYHVWZVOBZTDY-AWEZNQCLSA-N	376.405	2.115	0	1	GEAF	biogenic,in-vitro
Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@@H]3CC[C@@]1(CS(N)(=O)=O)C3(C)C)O2	587408497	HBBKQHOKGWHEFO-RQUSPXKASA-N	378.494	2.396	0	1	GEAF	
O=C1COc2cc3[nH]c(C4=CCC(=O)N(Cc5ccc(F)cc5)N4)nc3cc2N1	587164947	ZXOBYUYBARUEGF-UHFFFAOYSA-N	393.378	2.311	0	1	GEAF	
CC[C@@H](N[C@H](C)CC(N)=O)c1ccc(Cl)c(C(=O)c2cnc(N)cn2)c1F	1772617241	BVJSGIHHUYXHLG-BXKDBHETSA-N	393.850	2.387	0	1	GEAF	
Cc1cc(C)nc(CCNC(=O)[C@@H]2CCC(=O)N(Cc3ccccc3F)C2)n1	11999837	OKPJMUFWDBZYKY-QGZVFWFLSA-N	384.455	2.330	0	3	GEAF	
CNc1ncnn2c(C)nc(-c3cnn(C)c3-c3cnc(C(F)(F)F)cn3)c12	169697403	IQYXMHIATZOXOE-UHFFFAOYSA-N	389.345	2.351	0	1	GEAF	
CCOc1ccc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCCOCCO)cc1	4049171	OYSCZJFGJXURTE-CTNGQTDRSA-N	398.459	2.302	0	1	GEAF	
COC(=O)Nc1nc2cc(C(=O)N3CCN(c4ccccn4)CC3)ccc2[nH]1	26026403	SINZZLKFRXIFDJ-UHFFFAOYSA-N	380.408	2.099	0	1	GEAF	
CCCC[C@H](CN(O)C=O)C(=O)N1CO[C@H](C)[C@H]1C(=O)Nc1ccc(C)cc1	66080123	VLYAYAFXLUFXSH-NUJGCVRESA-N	391.468	2.161	0	1	GEAF	
COc1cc(OS(=O)(=O)c2ccc3c(c2)CCN3C)cc(OC)c1OC	28004877	IXIGCCMSTZFJPB-UHFFFAOYSA-N	379.434	2.472	0	1	GEAF	
CC(=O)NC[C@@H]1OC(=O)N2c3ccc(-c4ccc(C(C)=O)nc4)cc3OC[C@@H]12	73163545	NGYBRLIEXSPSAZ-HKUYNNGSSA-N	381.388	2.174	0	1	GEAF	
COc1cc(Cl)c(C)n2nc(CCc3nc(N4CCCC4)nn3C)nc12	210695517	YPPOKLHGCGQTIE-UHFFFAOYSA-N	375.864	2.214	0	1	GEAF	
C[C@@H](C(=O)N1CCN(c2cccc(Cl)c2Cl)CC1)N1C(=O)C[C@@H](C)C1=O	653801596	ILODGRMPAAQTAR-NEPJUHHUSA-N	398.290	2.426	0	1	GEAF	
Nc1ncc2[nH]c(-c3cc(Br)cn(Cc4ccccc4)c3=O)nc2n1	587006480	OJFIWBHZWUWTFU-UHFFFAOYSA-N	397.236	2.575	0	1	GEAF	
CNS(=O)(=O)N1CCC(c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)CC1	586954804	PIAFMSIDCIDNNO-UHFFFAOYSA-N	398.488	2.438	0	1	GEAF	
O=c1oc2cc(O)c(Br)cc2cc1-c1nc2c(O)nc(O)nc2[nH]1	586999514	DXEUUHVRRUZWHT-UHFFFAOYSA-N	391.137	2.006	0	1	GEAF	
CCS(=O)(=O)NCCCc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1	586942521	NJVILZRTZMYMGI-UHFFFAOYSA-N	386.346	2.484	0	1	GEAF	
CNc1c(F)cccc1-c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1	587135528	FVEBOTOSUBBMBU-UHFFFAOYSA-N	390.440	2.432	0	1	GEAF	
CN(C)C(=O)COc1ccc(Oc2ccnc3sc(C(N)=O)c(N)c23)cc1	139444103	CYMPFVDCUUAXLE-UHFFFAOYSA-N	386.433	2.237	0	1	GEAF	
O=C(O)c1cn(C2CC2)c2c(Cl)c(N3C[C@@H]4C[C@H]3CN4)c(F)cc2c1=O	13650290	PHKTXJWTFNLRGU-WPRPVWTQSA-N	377.803	2.378	0	1	GEAF	
C=CC(=O)Nc1cccc(Cn2nc(-c3cc(C)n(C)n3)c3c(N)ncnc32)c1	1857542469	DXADUPVXCLNKKA-UHFFFAOYSA-N	388.435	2.290	0	1	GEAF	
CCCCC[C@@H](O)c1c(/C=C/[C@@H](O)[C@@H](O)CCCC(=O)OC)nc(C)n1C	1857589769	PLBGFBROZZUTKG-PHCFSIKCSA-N	382.501	2.421	0	1	GEAF	
C[C@H]1CCC[C@H](C)N1C(=O)CCNS(=O)(=O)c1cccc2nsnc12	2496267	GRWJRJYKCNHOIK-RYUDHWBXSA-N	382.511	2.149	0	1	GEAF	
CN/C(=C\[N+](=O)[O-])NCCSCc1ccc(CN[C@H]2C3C[C@@H]4C2[C@@H]4C3)o1	100369529	NIEBFIZWKXFMDD-HQBKPKDASA-N	378.498	2.141	0	1	GEAF	in-man
CCN(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccccc1	101295218	ZEKJNLVRFKSDCF-UHFFFAOYSA-N	394.431	2.287	0	1	GEAF	
COC[C@@H]1CCCN1Cc1nc(C2(O)CCN(C(=O)C(C)C)CC2)cs1	2356301570	BOEQVKYHXUWBIM-HNNXBMFYSA-N	381.542	2.220	0	1	GEAF	
COc1ccc2nc(CO[C@H]3CN(C4CCN(C(C)=O)CC4)C[C@@H]3F)[nH]c2c1	2356318129	TUVPYMCJCVCFHQ-LPHOPBHVSA-N	390.459	2.121	0	1	GEAF	
O=C(O)CCN1Cc2ccc(NC(=O)c3ccc4c(c3)CNCC4)cc2C1=O	72106251	OFMXNBIPYOLGBH-UHFFFAOYSA-N	379.416	2.015	0	1	GEAF	
Nc1c(F)c(NCCn2ccnc2)c(F)c2c1c(=O)c(C(=O)O)cn2C1CC1	72126985	HSPJLOBJXQXKHR-UHFFFAOYSA-N	389.362	2.204	0	1	GEAF	
Cc1nnsc1/C(Cl)=C(/NC(=O)c1ccccc1)C(=O)N1CCOCC1	49110417	TUTXXRIOEATEOY-YPKPFQOOSA-N	392.868	2.043	0	1	GEAF	
COc1ccc2c3c1O[C@H]1[C@@H](O)C=C[C@H]4[C@H](C2)N([C@@H]2CCCC[C@@H]2O)CC[C@]341	40506442	ROOIUTBGPBWDFU-BHSFNRIBSA-N	383.488	2.175	0	1	GEAF	
CS(=O)(=O)C1(c2cc(N3CCOCC3)nc(-c3cccc4[nH]ccc34)n2)CC1	95584792	UUEAFRKZMCDHFV-UHFFFAOYSA-N	398.488	2.495	0	1	GEAF	
CCN(C[C@@H]1N[C@H](CO)[C@H]1c1ccc(-c2cccc(F)c2)cc1)C(=O)COC	95895155	AQAKAJMSJAYAPH-VWPQPMDRSA-N	386.467	2.404	0	1	GEAF	
C=CS(=O)(=O)N1C[C@@H]2CN(C(=O)c3cc(C4CCCCC4)no3)C[C@@H]2C1	618020278	WWCDOOHVSVAGQB-GASCZTMLSA-N	379.482	2.199	0	1	GEAF	
C/C=C1\CN(C=O)[C@H]2C[C@@]3(C(=O)N(OC)c4cc(OC)ccc43)[C@H]3C[C@@H]1[C@@H]2CO3	473247431	CVZRLVRONXDZMM-JNIIIHBOSA-N	398.459	2.053	0	1	GEAF	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)C2(O)O	587820847	FXIJHQDUMKRFCB-XYZCENFISA-N	392.224	2.243	0	1	GEAF	
COc1ccc([C@@]2(COCC(=O)O)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1	587439068	JDUWJZWLVJMVKX-IIBYNOLFSA-N	384.384	2.448	0	1	GEAF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H]3CN[C@H](C(=O)O)[C@@H]3C2)N1	587790386	CPXIPMZMLLPLKT-RVUOGPELSA-N	383.261	2.400	0	1	GEAF	
NC(=O)c1cccc(C[C@H](N)c2nc3c(F)cnc(Br)c3[nH]2)c1	587259988	LIXOHCNAXQOWFB-JTQLQIEISA-N	378.205	2.201	0	1	GEAF	
CC(C)(C)NCc1ccc(S(=O)(=O)c2csc(S(N)(=O)=O)c2)cc1	13727917	LZPRDWHLIGTSLN-UHFFFAOYSA-N	388.536	2.116	0	1	GEAF	
COc1ccccc1O[C@H]1CCN(S(=O)(=O)c2ccc3c(c2)OCO3)C1	1259846624	FFOHPODZUSMLEU-ZDUSSCGKSA-N	377.418	2.266	0	1	GEAF	
CC[C@@H]1C2=C3[C@@H]4[C@H](OC(=O)[C@H](C)[C@@H]4[C@@H]1O)[C@H]([C@H]1C[C@H](C)C(=O)O1)N3CCCC2	2356362918	IMBLSLXWSTZJFX-RKOMUBNVSA-N	389.492	2.255	0	1	GEAF	
COc1ccc(-c2cn3c(=O)c4ncn([C@H]5C=C[C@@H](CO)C5)c4nc3[nH]2)cc1	101970449	ZXXRWUIQELAIBB-OCCSQVGLSA-N	377.404	2.157	0	1	GEAF	
CC1(C)S[C@H]2[C@@H](NC(=O)N/C=C/c3ccc(Cl)cc3)C(=O)N2[C@H]1C(=O)O	28254139	ONQGTRRLUIXXKW-UOCMLVICSA-N	395.868	2.125	0	1	GEAF	
COc1ccccc1[C@@H]1CN(c2cc(-c3ccncn3)cc(=O)n2C)CCO1	66103040	UXIBAVJUVOXYPB-IBGZPJMESA-N	378.432	2.429	0	1	GEAF	
Nc1cnc(-c2ccc(C3CCC3)c(OC[C@H](O)Cn3cncn3)c2F)cn1	224547213	LPPISTNBEJGRQP-CYBMUJFWSA-N	384.415	2.164	0	1	GEAF	
Cc1nnc2sc(C(=O)NC3CN(C(=O)c4ccccc4)C3)c(N)c2c1C	221810804	JTHGDLMFBPVMCH-UHFFFAOYSA-N	381.461	2.145	0	1	GEAF	
O=C(C[C@H]1CC[C@@H](NC(=O)CC2CC2)[C@@H](CO)O1)NCc1ccc(Cl)cc1	95677588	QFAVGRCFIOJHOR-KZNAEPCWSA-N	394.899	2.171	0	1	GEAF	
COC(=O)c1ccnc2[nH]c([C@@H](N)CCCNC(=O)OCc3ccccc3)nc12	587260061	RLBBQHQGWCTZPI-HNNXBMFYSA-N	397.435	2.451	0	1	GEAF	
C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc3c(cc2[nH]1)OCCCO3	586960176	WAPDUGWXBDBWJG-SFHVURJKSA-N	389.433	2.193	0	1	GEAF	
COc1cc2c3c(c1)O[C@@]1(C(=O)Nc4ncc(Br)cc41)[C@@H](C2)C3=O	587419783	ZNUWKWKRFJFSPP-BTDLBPIBSA-N	387.189	2.448	0	1	GEAF	
CCOC(=O)[C@H](C(C)C)[C@]1(C(=O)OCC)N[C@H](C(=O)O)Cc2cc(F)ccc21	962903264	UFGWMXSCQSNZSN-TWOQFEAHSA-N	395.427	2.018	0	1	GEAF	
O=C(NCCCN1CCC[C@@H](O)C1)c1cc(COc2ccc(F)cc2F)on1	12455218	REXLIZRHDSHHPH-CQSZACIVSA-N	395.406	2.108	0	3	GEAF	
CCn1cc(C(=O)O)c(=O)c2c(N)c(F)c(N3C[C@H](C)N[C@@H](C)C3)c(Cl)c21	13649650	QAJCKEBMJSQGHD-IUCAKERBSA-N	396.850	2.281	0	1	GEAF	
C[C@H]1C[C@H](C)CN(S(=O)(=O)N2CCC[C@@H](C(=O)NC3CCCCC3)C2)C1	15905820	WFQZAUSAZAKPQI-YESZJQIVSA-N	385.574	2.370	0	1	GEAF	
CCN1CCN(C(=O)c2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)CC1	169177184	ZXFNUHYGGNERBC-UHFFFAOYSA-N	380.492	2.017	0	1	GEAF	
COc1ccc(CCNC[C@@H](O)COc2ccc(NC(C)=O)cc2)cc1OC	169330558	RHDXQGDMQVYVFS-GOSISDBHSA-N	388.464	2.234	0	1	GEAF	
c1nc(N2CCC[C@H](CN3CCOCC3)C2)c2ccc(N3CCOCC3)cc2n1	205121618	DUHHHHIFCZLJGE-GOSISDBHSA-N	397.523	2.015	0	1	GEAF	
Cc1ccc2cc([C@@H]3CC(c4ccccn4)=NN3C(N)=S)c3nnnn3c2c1	1857601411	QAYWPMWPKYUAIH-KRWDZBQOSA-N	388.460	2.376	0	1	GEAF	
CCN(CC)CCOC(=O)c1cccn1S(=O)(=O)c1cc(Cl)ccc1N	6382298	WDHJMDVZRFKPBL-UHFFFAOYSA-N	399.900	2.459	0	1	GEAF	
CC[C@@H]1C[C@H]2C[C@@]3(C(=O)OC)c4[nH]c5ccc(OC)cc5c4[C@H]4O[C@H]2N([C@H]4O)[C@@H]13	2356543900	VQGAYUYOVHVHFB-DFKNJAAASA-N	398.459	2.437	0	1	GEAF	
CN1CCC(n2nc(C(N)=O)c3c2-c2nc(NC4CCCC4)ncc2CC3)CC1	45389078	ROSDVEJRVQTUEV-UHFFFAOYSA-N	395.511	2.159	0	1	GEAF	
CC(=O)N[C@@H]1CN(C(C)=O)[C@H](C(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccccc1	198877830	GLYXGKACPVYTOG-QMMLZNLJSA-N	394.427	2.117	0	1	GEAF	
CC1CCN(S(=O)(=O)N2CCC[C@H](C(=O)N[C@H]3CCCC[C@@H]3C)C2)CC1	247815405	CLLHEFHZMWYOCX-BZSNNMDCSA-N	385.574	2.370	0	1	GEAF	
COc1cccc(Nc2nc(N)n(C(=O)c3cc(OC)c(OC)c(OC)c3)n2)c1	299825654	DZFZIWWTQOYELZ-UHFFFAOYSA-N	399.407	2.327	0	1	GEAF	
Cc1nc2cccc3c2c(c1CCCN1C(=O)[C@@H]2[C@@H](N=CN2C)N(C)C1=O)CC3	587212057	KNEXTLTZSGVNMO-PMACEKPBSA-N	391.475	2.137	0	1	GEAF	
CN1CCN(CCOc2c(O)cc(O)c3c(=O)cc(-c4ccccc4)oc23)CC1	1772643385	RQNCWCGCWQYWQA-UHFFFAOYSA-N	396.443	2.497	0	1	GEAF	
CS(=O)(=O)N(C[C@@H](O)Cn1c2ccccc2c2ccccc21)c1cccnn1	148516352	PBEZVUPOVNIBMA-HNNXBMFYSA-N	396.472	2.412	0	1	GEAF	
CN(C)CCN(C)C[C@@H]1CN2CC[C@H]1C[C@H]2CNC(=O)Nc1ccsc1	2356320968	CSTRZSVUFCZMNE-JZXOWHBKSA-N	379.574	2.073	0	1	GEAF	
CC1(C)NC(=O)c2cc(S(=O)(=O)Nc3ccc(F)cc3F)ccc2NC1=O	103298245	XJMKSFYAMIBDHI-UHFFFAOYSA-N	395.387	2.226	0	1	GEAF	
CC(C)Nn1c(=O)c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2ccccc21	101033620	GYTJXHOFUIUVJE-UHFFFAOYSA-N	398.444	2.220	0	1	GEAF	
C[C@@H]1[C@H]2C[C@@]3(CC(=O)O2)[C@H](C)C[C@H](O)[C@]3(O)[C@]1(C)COC(=O)c1ccccc1	2356651741	AGQLDIHTHSYJSO-PUQAHJBDSA-N	388.460	2.323	0	1	GEAF	
Cc1cncc(-c2cc3c(cn2)cnn3-c2cccc([C@@H]3CNCC[C@H]3O)n2)n1	216487267	NRWVKWOODSLDFZ-MGPUTAFESA-N	387.447	2.019	0	1	GEAF	
CC(=O)NC[C@@H]1OC(=O)N2c3ccc(-c4cncc(C(C)=O)c4)cc3OC[C@@H]12	73195823	INSPJULBDMXNEI-HKUYNNGSSA-N	381.388	2.174	0	1	GEAF	
CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3ncc(Br)cc3[nH]2)c1	586940307	ZGYPAAMCHJZLKU-UHFFFAOYSA-N	384.259	2.402	0	1	GEAF	
CCn1c(=O)n(O)c(=O)c2cc(-c3cn(Cc4ccc(F)c(F)c4)nn3)ccc21	1772615224	FRYABOUGPTXXFG-UHFFFAOYSA-N	399.357	2.005	0	1	GEAF	
CCn1cc(CN2CCC[C@H](CNS(=O)(=O)Cc3ccccc3)C2)cn1	12703546	RUWJBFSFNOUPAV-GOSISDBHSA-N	376.526	2.235	0	3	GEAF	
O=C1C=C[C@H](O)[C@H]([C@H](O)[C@H](OC(=O)/C=C/c2ccccc2)c2ccccc2)O1	6095580	HCJURVKKVSCZRL-VTWBULIDSA-N	380.396	2.188	0	1	GEAF	biogenic,in-vitro
COCCOc1n[nH]c2cc(NC(=O)NCCc3ccc(OC)cc3)ncc12	209384467	OFPAYNUCKJHFOM-UHFFFAOYSA-N	385.424	2.356	0	1	GEAF	
CC(=O)N1N=C(c2cccc(OS(N)(=O)=O)c2)C[C@H]1c1ccc(F)cc1	1857571320	DQCASZYPSCSYKM-KRWDZBQOSA-N	377.397	2.106	0	1	GEAF	
Cc1c(C(=O)N2CCCC[C@@H]2C(F)(F)F)cnn1-c1nc(=O)c2cccn2[nH]1	1857580203	AEGUZQKHIMAWAC-CYBMUJFWSA-N	394.357	2.074	0	1	GEAF	
O=C(NC1[C@H]2CC3C[C@H]1CC(O)(C3)C2)c1cnc(OC2COC2)nc1C1CCC1	115044379	FLGHTBBIWYMYAV-ZAWUSCDPSA-N	399.491	2.191	0	1	GEAF	
CCCCNC(=O)[C@H]1C[C@H](OCc2ccccc2)CN1C(=O)c1cnccn1	4533588	ULULASVPKPBVJK-PKOBYXMFSA-N	382.464	2.193	0	1	GEAF	
O=C1NC(=O)C(c2cn3c4c(cccc24)CNCC3)=C1c1ccc2c(c1)OCO2	28128599	SSAQMAUQLFVZJJ-UHFFFAOYSA-N	387.395	2.040	0	1	GEAF	
C[C@@H]1CN(C(=O)c2cccs2)CCN1S(=O)(=O)c1c[nH]c2ncccc12	28826908	OUYKEJFBGBJLIL-GFCCVEGCSA-N	390.490	2.160	0	1	GEAF	
CCOC(=O)[C@@H]1[C@H](c2ccccc2)C[C@H]2[C@@H](NC(=O)Cc3ccccc3)C(=O)N12	103195406	AWXNBFBIVFXLHS-MMKMLUHNSA-N	392.455	2.044	0	1	GEAF	
COc1ccccc1[C@@H](c1nnnn1Cc1ccc(F)cc1)N1CCN(C)CC1	20141274	UFSJIFYSGRDSBI-FQEVSTJZSA-N	396.470	2.206	0	1	GEAF	
CC[C@@H]1Cn2c(c(NC(C)=O)c(=O)n(Cc3cccc4ccccc34)c2=O)N1	82208087	YCHWATLJAVOIOQ-MRXNPFEDSA-N	378.432	2.374	0	1	GEAF	
COc1cc(-c2nc3c(NCC(C)C)ncnc3n2CCNC(C)=O)ccc1O	82177819	NQBUKMMKIICMLA-UHFFFAOYSA-N	398.467	2.412	0	1	GEAF	
COc1cccc(NC(=O)N2CC3(C2)[C@@H](c2ccccc2)[C@H](CO)N3C(C)=O)c1	95796268	BMFQPRSVJKABNP-PMACEKPBSA-N	395.459	2.288	0	1	GEAF	
O=C(CC1CC1)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2CC1CCOCC1	95794317	KVJINFOJQOHVHI-RBBKRZOGSA-N	384.520	2.254	0	1	GEAF	
CCOC(=O)CCOCCCOCCc1nc2cc(OC)cc(OC)c2[nH]1	587569916	SQOJZMVESYHIFB-UHFFFAOYSA-N	380.441	2.499	0	1	GEAF	
O=C(O)Cc1nn(Cc2nc(-c3ccccc3F)no2)c(=O)c2ccccc12	13449013	UPSYQIRJJUXBLH-UHFFFAOYSA-N	380.335	2.261	0	1	GEAF	
CC(C)(C)NC(=O)CN(C(=O)[C@@]1(C)CC(=O)N=C2C=CC=CN21)C1CCCC1	4400647	FJMXOOOTDRKMNF-OAQYLSRUSA-N	386.496	2.145	0	3	GEAF	
COc1cc2nc(N(C)CCCNC(=O)[C@H]3CCCO3)nc(C)c2cc1OC	66078690	TXBBUZOFVGAXEG-MRXNPFEDSA-N	388.468	2.077	0	1	GEAF	
COc1ccc(C(=O)N2CCN3C(=O)N(CCc4cccs4)C(=O)[C@H]3C2)cc1	5433724	SRICHBGPMAOZQV-QGZVFWFLSA-N	399.472	2.088	0	1	GEAF	biogenic
C[C@@H](NC(=O)c1coc(-c2ccc3c(c2)OCO3)n1)C(=O)NCc1ccco1	82082868	SOQDNWDYGCYACX-LLVKDONJSA-N	383.360	2.098	0	1	GEAF	
Cc1cc(C)c(S(=O)(=O)N[C@H](CNCc2ccccc2)C(=O)O)c(C)c1	43024622	QZLYHEIAZSSEGV-QGZVFWFLSA-N	376.478	2.133	0	1	GEAF	
CCNc1nc(NCCCCNC(=O)COC)nc2cc(OC)c(OC)cc12	82118523	GOZYQMSMMUMRQS-UHFFFAOYSA-N	391.472	2.034	0	1	GEAF	
CCO[C@@]12[C@@H]3CC(=O)N4c5ccccc5[C@@]5(CCN6CC(=CCO3)[C@@H]1C[C@H]65)[C@@H]42	238736758	WZEMGGLCLHIQAS-LQIRQIOISA-N	378.472	2.252	0	1	GEAF	
CC1=C[C@@H]([C@H]2O[C@@H]3CCCN4[C@H]([C@@H]5C[C@H](C)C(=O)O5)CC[C@H]4[C@H]3[C@@H]2C)OC1=O	140328855	QAAYWVNRGVTWRB-URHJFWJQSA-N	389.492	2.456	0	1	GEAF	
NS(=O)(=O)c1cccc2nc(-c3nc(Cl)cnc3Br)[nH]c12	587005177	ARQNGHISQDFWGG-UHFFFAOYSA-N	388.634	2.083	0	1	GEAF	
CCOC(=O)C1(C(=O)OCC)N[C@@H](C)Cc2ccc(F)c(Br)c21	587795351	IOBKJDRFZUKCDM-VIFPVBQESA-N	388.233	2.444	0	1	GEAF	
O=S(=O)(c1ccc2nc([C@@H]3C[C@@H](O)c4ccccc43)[nH]c2c1)N1CCOCC1	586900946	FNYNQGUHICDYOX-VQIMIIECSA-N	399.472	2.153	0	1	GEAF	
O=C(O)C[C@@H](NC(=O)OCc1ccccc1)c1nc2nc(Cl)c[nH]c-2n1	587204434	YONKUNUZYJRYQS-SNVBAGLBSA-N	375.772	2.400	0	1	GEAF	
C[C@](O)(C(=O)Nc1ccc(S(=O)(=O)c2ccc(O)cc2)cc1)C(F)(F)F	13760153	KXHZZAYXTPZNDJ-HNNXBMFYSA-N	389.351	2.477	0	1	GEAF	
CCCc1ccc(Cc2ccc3c(c2)[C@]2(OC3)O[C@H](C)[C@@H](O)[C@H](O)[C@H]2O)cc1	1857580850	NJRQFWNACNUUEY-RLZMAHOWSA-N	384.472	2.414	0	1	GEAF	
Cc1c(C(=O)N2CC3(C2)CC(F)(F)C3)cnn1-c1nc(O)c2c(n1)CCC2	1857591425	KNVXGKULEQEKIE-UHFFFAOYSA-N	375.379	2.036	0	1	GEAF	
Cc1ccccc1CS(=O)(=O)CCC(=O)NCc1ccc2c(c1)OCO2	3006128	GTEIWOMGSSDZRL-UHFFFAOYSA-N	375.446	2.345	0	1	GEAF	
COc1ccc(NC(=O)[C@@H]2C(=O)N(CCO)[C@@]3(C)C[C@@H]2c2ccccc2O3)cc1	4100037	GAZFRBHNVWRJFX-SFGWALBWSA-N	396.443	2.367	0	1	GEAF	
Cc1cc(=O)n2nc(N3CC[C@H](c4cc(F)c(F)cc4F)[C@@H](N)C3)ccc2n1	28707362	ZWTXUECSRGSDEG-BZNIZROVSA-N	389.381	2.136	0	1	GEAF	
CC(C)N1CCC[C@H](O)[C@@H](NC(=O)c2ccc(OCCN3CCCC3)cc2)C1	2356855870	RUBDWBRZXAZGPG-SFTDATJTSA-N	389.540	2.125	0	1	GEAF	
C[C@H]1CCC[C@@H](C)N1C(=O)CCNS(=O)(=O)c1cccc2nsnc12	82230763	GRWJRJYKCNHOIK-TXEJJXNPSA-N	382.511	2.149	0	1	GEAF	
Nc1ncc(-c2cc(C3CN(C4COC4)C3)nc(C3CC3)n2)cc1OC(F)F	653676811	FGNIKQZRPKYSHC-UHFFFAOYSA-N	389.406	2.398	0	1	GEAF	
CCOC(=O)[C@@H]1CCNC(=O)[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12	587792341	IHMAHRRWKDIHTR-MIHTYCSTSA-N	399.260	2.017	0	1	GEAF	
COc1ccc(NC(=O)[C@@H]2C(=O)c3cccc4c3N(CCC4)C2=O)cc1OC	957743219	KSSNCMNPXNTLEM-KRWDZBQOSA-N	380.400	2.434	0	1	GEAF	
COC(=O)c1cc([C@]2(CCCC(=O)O)NCCc3c2c(C(C)C)nn3C)c[nH]1	962920131	QZBUUABUNXSSNJ-FQEVSTJZSA-N	388.468	2.302	0	1	GEAF	
O=C(O)CSc1nc2ccsc2c(=O)n1Cc1ccc(C(=O)O)cc1	2932488	IKBMMHHGAMMRKW-UHFFFAOYSA-N	376.415	2.381	0	1	GEAF	
O=C(C[C@H](C(=O)N1CCc2ccccc21)n1ccnc1)NCc1cccnc1	3046289	MKTOMNCSAYZJMT-LJQANCHMSA-N	375.432	2.115	0	3	GEAF	
CN(C)S(=O)(=O)c1ccc(NC(=O)COC(=O)C[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1	101738525	DGSHOEYQIMAQIL-KFWWJZLASA-N	394.493	2.245	0	1	GEAF	
C[C@H](NC(=O)CC1CCCCC1)C(=O)N[C@@H]1C(=O)N(C)N=Cc2ccccc21	28899648	NWBDPXHIXGJCBK-LIRRHRJNSA-N	384.480	2.125	0	1	GEAF	
O=C(NCc1ccccc1Cl)[C@H]1CCCN(S(=O)(=O)N2CCCCC2)C1	20511751	UPSOOBMILONBER-INIZCTEOSA-N	399.944	2.399	0	1	GEAF	
O=C(O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2cc(Cl)ccc2[nH]1	140307906	BMIPUMCSNGWERG-INIZCTEOSA-N	399.834	2.363	0	1	GEAF	
COc1cc(OC)c2c(c1)O[C@@H](c1cc(O)c(OC)cc1O)[C@@H](OC)C2=O	2356624597	HWWQQYHBKHIOIS-OALUTQOASA-N	376.361	2.455	0	1	GEAF	
CC=CCC(=O)O[C@@H](c1cc2ccc(=O)oc2cc1OC)[C@H](O)C(C)(C)O	2356649303	ISUIJLNCTODZEL-OALUTQOASA-N	376.405	2.484	0	1	GEAF	
CCC(=O)N(c1ccccc1)C1CCN(C(=O)[C@@H](N)Cc2cscn2)CC1	28703156	BUGGIRZGOMYNEU-SFHVURJKSA-N	386.521	2.447	0	1	GEAF	
NC(=O)c1nn(CC(F)(F)F)c2c1CCc1cnc(NC3CCCC3)nc1-2	45390796	RMWMYMKOIOFLED-UHFFFAOYSA-N	380.374	2.454	0	1	GEAF	
CC(=O)N1C[C@H](c2ccccc2)[C@H]2CN(CC(=O)Nc3cn(C)nc3C)CC[C@H]21	618016924	VHYUKZZFDKIPDA-SFHLNBCPSA-N	395.507	2.003	0	1	GEAF	
O=C(CCc1ccccc1)c1nc2cc(S(=O)(=O)N3CCOCC3)ccc2[nH]1	587954332	PEYZERVUBXOVGK-UHFFFAOYSA-N	399.472	2.399	0	1	GEAF	
NS(=O)(=O)c1ccc2c(c1)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C(=O)N2	587532984	RQJNWWFNLIUIJW-FQEVSTJZSA-N	398.440	2.026	0	1	GEAF	
CCS(=O)(=O)c1ccc2nc(-c3cnc4ncnn4c3C(F)F)[nH]c2c1	587127949	DOVJZGFKVKPLAA-UHFFFAOYSA-N	378.364	2.399	0	1	GEAF	
CC(C)c1nn(C)c2c1[C@](C)(CN1CCN(C(=O)OC(C)(C)C)CC1)NCC2	962914353	SVLDTJLINNLQGM-NRFANRHFSA-N	391.560	2.457	0	1	GEAF	
CCC(CC)O[C@@H]1C=C(C(=O)Nc2ccccc2OC)C[C@H](N)[C@H]1NC(C)=O	1772589106	ZSOXCKWTBAFSQJ-PWIZWCRZSA-N	389.496	2.370	0	1	GEAF	
CSCC[C@@H](CO)NC(=O)c1cc(COc2cccc(C(C)=O)c2)on1	12593891	UQGXJTJGVHIOLJ-AWEZNQCLSA-N	378.450	2.300	0	1	GEAF	
O=C(CF)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc2cccnc12	1857548837	JBOWXQXSWZMTBF-IBGZPJMESA-N	393.418	2.231	0	1	GEAF	
O=S(=O)(NCCO)c1ccc(NC(=S)NCc2ccc(Cl)cc2)cc1	1857571402	STPIIDNMGWJVBK-UHFFFAOYSA-N	399.925	2.097	0	1	GEAF	
Cn1c(=O)oc2cc(C3=C(c4ccc(S(C)(=O)=O)cc4)C(=O)OC3)ccc21	58582882	ZZLHZSJAMJFZAV-UHFFFAOYSA-N	385.397	2.003	0	1	GEAF	
C[C@@H]1CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C(C)(C)C)CCN1C	28764818	IMPXTCIWIILKMQ-LLVKDONJSA-N	376.432	2.129	0	1	GEAF	
COc1ccc(CNC[C@H](O)COc2cccc3ccc(=O)[nH]c23)cc1OC	27183466	VZGOXMURNXKORT-INIZCTEOSA-N	384.432	2.075	0	1	GEAF	
Cc1nccn1[C@@H]1[C@H]2OC[C@@H](O2)[C@@H](NCc2ccc(Cl)c(Cl)c2)[C@@H]1O	2356455496	WDTPVGKHFOLDQN-NRKLIOEPSA-N	384.263	2.314	0	1	GEAF	
C[C@@H]1O[C@@H](OCCCCCCCCCC[C@@H](O)CC(=O)O)[C@H](O)C[C@H]1O	219960330	XUIRIUDIZICRKQ-SEFVSHJNSA-N	376.490	2.206	0	1	GEAF	in-vitro
Cc1ncsc1CCn1c(=O)c(NCCC(C)C)c2n(c1=O)[C@@H](C)CN2	82211671	UDSVAJSFEPCFFE-LBPRGKRZSA-N	377.514	2.462	0	1	GEAF	
C[C@@H]1CNc2c(NC(=O)c3ccco3)c(=O)n(Cc3ccc(F)cc3)c(=O)n21	82212643	OFOBMUIKHVFIID-LLVKDONJSA-N	384.367	2.029	0	1	GEAF	
CN1CCN(c2cc(C3=NCc4ccnc(OC5CCOCC5)c43)ccn2)CC1	96175966	IDAHCCILXPFKRT-UHFFFAOYSA-N	393.491	2.137	0	1	GEAF	
Cc1c(O)ccc2c1[C@@](C)(CCCOc1ccccc1C(N)=O)N[C@H](C(=O)O)C2	963505461	BFBBXDPZBBBEPL-KSFYIVLOSA-N	398.459	2.473	0	1	GEAF	
O=C(O[C@@H]1C=C[C@H](n2cc(Br)c(O)nc2=O)C1)c1ccccc1	1772590971	ZZIIXUFPBVWOID-NWDGAFQWSA-N	377.194	2.438	0	1	GEAF	
NC(=O)CCn1cc(C(=O)[C@@H]2CS[C@@H](c3cccnc3)N2)c2ccccc21	13737508	IZRMTBCSSCYRTF-JXFKEZNVSA-N	380.473	2.498	0	1	GEAF	
CN(C)CCc1cc2c(cc1/C=C1/NC(=O)c3c1ccc1c3OCO1)OCO2	15219562	ZURFNKDWDFKHSG-VIZOYTHASA-N	380.400	2.490	0	1	GEAF	
O=C1N[C@H](C(=O)O)Cc2ccc(nc2)OC/C=C\COc2ccc(Cl)c1c2	169313415	FWOZSFGPVXYBNW-AIMAZDRCSA-N	388.807	2.488	0	1	GEAF	
COc1c(N2CC[C@@](C)(N)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12	27526031	NLWVTAUWGUJTKY-LJQANCHMSA-N	375.400	2.110	0	1	GEAF	
O=C1NC(=O)/C(=C/c2cnn3c(NC4CC4)cc(Nc4cccc(F)c4)nc23)N1	117574127	IPCBMEUQLIRWSA-NSIKDUERSA-N	393.382	2.367	0	1	GEAF	
COc1ccc(CN[C@@H]2C[C@H](O)[C@H](CO)[C@H]2Cc2ccnc(C(C)(C)C)n2)cc1	2356499752	JKTOMNQSHFGRPL-NCYKPQTJSA-N	399.535	2.473	0	1	GEAF	
O=c1cccc2n1C[C@H]1C[C@@H]2CN(Cc2nnc(-c3ccc4c(c3)OCO4)o2)C1	20177782	FTKVAEAZIKGCJX-DZGCQCFKSA-N	392.415	2.246	0	1	GEAF	
COc1ccc(OC)c(-c2cccc3c(N)c(C(=O)NCCCO)nnc23)c1	71282206	QGYLDRPCDBYKAP-UHFFFAOYSA-N	382.420	2.008	0	1	GEAF	
O=C(O)CNC(=O)/C(=C1/OCO/C1=C(/C(=O)O)c1ccccc1)c1ccccc1	85979577	QUIONHAMCPPZRR-YWNVXTCZSA-N	395.367	2.099	0	1	GEAF	
Cn1cc(-c2cc(S(N)(=O)=O)cnc2Nc2ccccc2)c2cc[nH]c2c1=O	146703948	JBPWBFHAUMSKPS-UHFFFAOYSA-N	395.444	2.320	0	1	GEAF	
C[C@@H](NC(=O)Nc1cc2[nH]nc(C(=O)NCC3(O)CC3)c2cn1)c1ccccc1	261072035	AFYLOFNENCHLHA-GFCCVEGCSA-N	394.435	2.095	0	1	GEAF	
C=CC(=O)NC[C@H]1CCCN(S(=O)(=O)c2cc(Cl)c(O)c(Cl)c2)C1	621485712	HEXAZYRIUORTGS-SNVBAGLBSA-N	393.292	2.402	0	1	GEAF	
CCOC(=O)[C@@H]1CCNC(=O)[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12	587792346	IHMAHRRWKDIHTR-NVTQBHAOSA-N	399.260	2.017	0	1	GEAF	
Cc1c(Br)cnc2[nH]c(CCc3ccc(S(N)(=O)=O)cc3)nc12	586929240	CQDNWBCHSZUSGR-UHFFFAOYSA-N	395.282	2.461	0	1	GEAF	
CCOC(=O)[C@@H]1CCNC(=O)[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12	587792343	IHMAHRRWKDIHTR-NSTVUXKKSA-N	399.260	2.017	0	1	GEAF	
Cc1nc(-c2ccccc2F)c2c(N3CCc4ncnc(O)c4C3)ncnn12	169711801	UNVQVEMKYIMDKG-UHFFFAOYSA-N	377.383	2.297	0	1	GEAF	
CCCC[C@H](NC(=O)c1ccc(NC(=O)N2Cc3cccnc3C2)cc1)C(N)=O	167007340	AMKJDUXXKOZAAU-KRWDZBQOSA-N	395.463	2.403	0	1	GEAF	
NCc1ccc(-c2ccc(N3C[C@H](Cn4nncc4O)OC3=O)cc2F)cc1	1857760438	MYUCWAJWTXGGQR-OAHLLOKOSA-N	383.383	2.274	0	1	GEAF	
CCOC(=O)Cc1nc2nc(N(C)[C@H](C)[C@@H](O)c3ccccc3)ccc2nc1O	766643	FPXKBTZBESTITP-BFUOFWGJSA-N	396.447	2.394	0	1	GEAF	
COc1ccnc(C[S@@](=O)c2nc3cc(C(O)(F)F)ccc3[nH]2)c1OC	8773265	KCMSEEZLARPCQN-SANMLTNESA-N	383.376	2.325	0	3	GEAF	
CC(=O)O[C@@H]1C[C@]2(C)[C@@H]3CCc4cocc4[C@]3(CO)CC[C@@H]2[C@](C)(CO)[C@@H]1O	2356794855	IDJRJSOIZLZZJY-ZOSSLFJCSA-N	392.492	2.183	0	1	GEAF	
CO[C@@H]1c2c([nH]c3ccccc23)[C@H](C=C(C)C)N2C(=O)[C@H]3CCCN3C(=O)[C@]12O	2356852813	QTOVUUPWQCFFQD-LIWAJOSJSA-N	395.459	2.398	0	1	GEAF	
C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2NC(=O)[C@@H](N)CO	61946718	QPFKAJPAZADUGH-MDUNAHHLSA-N	376.541	2.115	0	1	GEAF	
CCOC[C@]1(CN2CCOCC2)COc2ccc3c(C)cc(=O)oc3c2C1=O	49033347	NNAGOCOSLUKCIS-OAQYLSRUSA-N	387.432	2.032	0	1	GEAF	
Nc1ncnc2c1nc(NCCP(=O)(O)O)n2Cc1ccc2ccccc2c1	40940337	DJEKVCSSPWBZSO-UHFFFAOYSA-N	398.363	2.200	0	1	GEAF	
COCCNC(=O)[C@@H]1C[C@@H]2Cn3c(nc4cc(Cl)c(Cl)cc43)[C@H]2N1C	263591840	JYYMTFLJOYYNFB-NKZPBKNFSA-N	383.279	2.481	0	3	GEAF	
O=C1N[C@H](CN(Cc2ccccc2)C(=O)/C=C/c2ccco2)N[C@@H]2CCS[C@H]12	618015484	VPDACGCWANEWEF-GPZIAXRUSA-N	397.500	2.241	0	1	GEAF	
COC[C@@H](O)COc1ccc(C(C)(C)c2ccc(OC[C@@H](O)CO)cc2)cc1	71318630	GCLSCNOGXASPBH-RBUKOAKNSA-N	390.476	2.131	0	1	GEAF	biogenic
CC1=C[C@@]2(CC(=O)N1CC(=O)O)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1	587583863	VJGSWIPFAZVGDM-RXVVDRJESA-N	395.367	2.313	0	1	GEAF	
CNS(=O)(=O)N1CCC(c2nc3cc(Br)cc(F)c3[nH]2)CC1	586955461	YPVUUOSKFQBWMV-UHFFFAOYSA-N	391.266	2.108	0	1	GEAF	
CC(C)(C)C(=O)N[C@H](Cc1cccc(I)c1)C(=O)O	72187416	LWOPVRUGCNPYDX-LLVKDONJSA-N	375.206	2.449	0	1	GEAF	
O=C(/C=C/c1ccc(O)cc1)OC[C@@H](CO)OC(=O)/C=C/c1ccc(O)cc1	13452013	BGQSICSUVXWPAE-PVTFYTBMSA-N	384.384	2.272	0	1	GEAF	
O=C(O[C@@]12[C@H]3[C@H]4C[C@@H]5[C@@H]6[C@H]4[C@@H]1[C@H]6[C@@]1(OCCCN21)[C@@H]35)c1n[nH]c2ccccc12	169293143	NKBYXRWOKPTCIZ-NQYSTBOTSA-N	375.428	2.236	0	1	GEAF	
Cc1[nH]nc2c1C[C@@]1(O)[C@H]3Cc4ccc(O)c5c4[C@@]1(CCN3CC1CC1)[C@H]2O5	1857541630	AFFXGZIGXWOFIG-YPVJZLTNSA-N	379.460	2.123	0	1	GEAF	
C[C@@]1(c2ccc(OC(F)F)cc2)NC(=O)N(CC(=O)c2ccncc2)C1=O	1857557547	UPBRTRRXAHKONK-SFHVURJKSA-N	375.331	2.333	0	1	GEAF	
CC[C@H]1CCCCN1C(=O)CSc1nnc(CNC(=O)c2ccco2)o1	4035014	SDLSEBFTXZMWGQ-LBPRGKRZSA-N	378.454	2.476	0	3	GEAF	
O=C(NCCc1ccccc1)[C@H]1[C@@H]2C=C[C@]3(CN(Cc4cccs4)C(=O)[C@H]13)O2	102009105	XMSJWPKHWOLGJU-ZVVDCOBXSA-N	394.496	2.389	0	1	GEAF	
Cc1ccnc(N2C[C@@H]3CCN(C(=O)c4cc(F)ccc4-n4nccn4)C[C@@H]32)c1	116827565	IWLOIZWVNYUPSQ-KXBFYZLASA-N	392.438	2.461	0	1	GEAF	
COc1ccccc1[C@@H]1CN(c2nc(-c3ccncc3)cc(=O)n2C)CCN1	116775148	IXUIAMDYCMJFKQ-SFHVURJKSA-N	377.448	2.002	0	1	GEAF	
CC(=O)NC[C@H]1CN(c2ccc(N3CCC(=C[C@@H](C)O)CC3)c(F)c2)C(=O)O1	26293313	WUYCZUNBQGMRAL-DYVFJYSZSA-N	391.443	2.194	0	1	GEAF	
O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@](O)(c2c[nH]c3ccccc23)C(=O)N1	14585621	GRSYCGMRONDEOH-UWJYYQICSA-N	375.384	2.011	0	1	GEAF	biogenic
O=C(O)CNC(=O)C(=C1OCOC1=C(C(=O)O)c1ccccc1)c1ccccc1	14826832	QUIONHAMCPPZRR-UHFFFAOYSA-N	395.367	2.099	0	1	GEAF	biogenic
COc1cccc(CN2Cc3cc(OC)c(OS(N)(=O)=O)cc3C[C@@H]2C)c1	84712086	XBYPYYJZAJXDOK-ZDUSSCGKSA-N	392.477	2.233	0	1	GEAF	
COC(=O)/N=c1/[nH]c2ccc(S(=O)(=O)NCc3ccc(Cl)cc3)cc2[nH]1	84614647	VDDZGBXRUKKIOH-UHFFFAOYSA-N	394.840	2.295	0	1	GEAF	
COc1cc2c(cc1OC)[C@]13CCN4C=C5CCO[C@@H]6CC(=O)N2[C@@H]1[C@H]6[C@H]5C[C@H]43	254111187	BUQWXEFUPCTDBF-WGTFHQENSA-N	394.471	2.457	0	3	GEAF	
CO[C@@H]1CN(C)C[C@H]1NC(=O)Nc1cc2[nH]nc(-c3ccc(F)cc3)c2cn1	261190820	ZCKILXBOSBOAFL-HZPDHXFCSA-N	384.415	2.215	0	1	GEAF	
O=C(c1ccccc1)c1cccc(/C=c2\nc(O)/c(=C/c3cccnc3)nc2O)c1	377805986	UYRDXISPAXDTSX-NMGXZBPKSA-N	395.418	2.171	0	1	GEAF	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1c(C)nn(CCS(C)(=O)=O)c1C)O2	587410330	QSFHCMQCRDBHCE-LJQANCHMSA-N	391.493	2.316	0	1	GEAF	
COc1cc2c3c(c1)O[C@](c1ccc(Br)cc1)(C(O)O)[C@@H](C2)C3=O	587417949	NROKEUXFHMSSQS-UGSOOPFHSA-N	391.217	2.411	0	1	GEAF	
COC(=O)c1cc2nc(-c3cncc(I)c3)[nH]c2cn1	587185416	TXJJQKRQIAYPSB-UHFFFAOYSA-N	380.145	2.411	0	1	GEAF	
Cc1c(Br)ccc2nc([C@H](C)NS(=O)(=O)c3cnn(C)c3)[nH]c12	586937038	CKQVDMLXPJSWDC-VIFPVBQESA-N	398.286	2.407	0	1	GEAF	
COc1ccc(CCN2C[C@H](C(=O)NCc3c(C)n[nH]c3C)CCC2=O)cc1	14977737	HKZGVWFXCIIYKJ-QGZVFWFLSA-N	384.480	2.133	0	3	GEAF	
Cc1cc(C)c(S(=O)(=O)N2CCN([C@@H]3CN4CCC3CC4)CC2)c(C)c1	1857561215	UYICITHOYJZKTN-LJQANCHMSA-N	377.554	2.012	0	1	GEAF	
C(=C/COc1ccc(C2=NCCN2)cc1)\COc1ccc(C2=NCCN2)cc1	6535487	DTXPQWHAEILBLI-OWOJBTEDSA-N	376.460	2.400	0	1	GEAF	
CS(=O)(=O)N1[C@@H]2CN(CC3CC3)C[C@H]1[C@H]2c1ccc(Br)cc1	100083244	KCHOPNGZKYIOHM-ZSHCYNCHSA-N	385.327	2.271	0	1	GEAF	
CC(C)(O)[C@@H]1Cc2cc(CC3=C(c4ccc(O)cc4)C(=O)NC3=O)ccc2O1	2356817474	DLGMRSRFZWKWCV-SFHVURJKSA-N	379.412	2.119	0	1	GEAF	
Cc1cccc(S(=O)(=O)NC(=O)[C@@]2(C)CCN2C(=O)Cc2cccs2)c1	61902843	DBAKVEMCKYWOKG-GOSISDBHSA-N	392.502	2.095	0	3	GEAF	
OCc1cccc(-c2nc(N3CCOCC3)c3ccn(C4CCNCC4)c3n2)c1	45352542	IOBPQMXNKOPXNC-UHFFFAOYSA-N	393.491	2.352	0	1	GEAF	
C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cncc(Br)c2[nH]1	586959155	OXCHQMNPSMHVRC-AWEZNQCLSA-N	397.254	2.189	0	1	GEAF	
O=C(O)C[C@H](C(=O)O)c1cc(O)n(NCc2ccccc2Br)c1O	587939405	CEILTNJKDKARRE-JTQLQIEISA-N	399.197	2.048	0	1	GEAF	
N[C@@H]1Cc2cc(F)ccc2[C@@]12N[C@@H](C(=O)O)Cc1c(Cl)cc(F)c(F)c12	962960245	FMBUBEKPFOUPCC-HBUWYVDXSA-N	382.769	2.483	0	1	GEAF	
CC1=C[C@@]2(CC(=O)N1Cc1cccnc1)N[C@H](C(=O)O)Cc1cc(F)ccc12	962898107	MEHTVCKZZRKSCN-RXVVDRJESA-N	381.407	2.351	0	1	GEAF	
Cc1c2c(nn1C)[C@H](c1ccc(OCCCCN(C)C)cc1)N[C@@H](C(=O)O)C2	962710125	LAZDQKJTWGLWEN-MOPGFXCFSA-N	386.496	2.137	0	1	GEAF	
NS(=O)(=O)c1ccc(-c2ncc(F)c(Nc3cc(C4CC4)[nH]n3)n2)s1	115371196	AWBXPRVPFCQHOC-UHFFFAOYSA-N	380.430	2.336	0	1	GEAF	
N=C(N)NCCC[C@H](NC(=O)C1CCCC1)C(=O)c1nc2ccccc2s1	12503351	NQABUEUFRXDDFI-AWEZNQCLSA-N	387.509	2.417	0	1	GEAF	in-vivo
CN1CCN(C(=O)c2ccc3c(=O)n(-c4ccc(F)cc4)c(S)nc3c2)CC1	20102366	UFDSDUMREWMQJH-UHFFFAOYSA-N	398.463	2.201	0	1	GEAF	
C[C@H]1CN(c2c(F)cc3c(=O)c(C(=O)O)cn4c3c2OC[C@@H]4C)C[C@@H](C)O1	29127044	BAYPIFHTRJZWTI-GARJFASQSA-N	376.384	2.406	0	1	GEAF	
COc1cccc(C(=O)N2C[C@@H]3CN(c4nc(C)cc(C)n4)C[C@H]3C2)c1OC	116822075	VKFALDZKVNVMTL-HZPDHXFCSA-N	382.464	2.319	0	1	GEAF	
CC(C)N(C(=O)CNC(=O)CN)c1ccc(Cl)cc1C(=O)c1ccccc1	27862685	UANLCBYVEFXJKH-UHFFFAOYSA-N	387.867	2.387	0	1	GEAF	
COc1cccc(C=C2C(=O)NN=C2c2c(O)n(C)c3ccccc3c2=O)c1	3850453	VZPAFWAXFXBUQS-UHFFFAOYSA-N	375.384	2.170	0	1	GEAF	biogenic
C[C@H]1Cc2c(c(O)cc3cc4c(c(O)c23)C(=O)[C@@](C)(O)C(=O)C4(C)C)C(=O)O1	15252633	HWTCLZDFHWHYSX-HXNGOWOSSA-N	384.384	2.146	0	1	GEAF	biogenic
C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(C)=O)[C@@H]2CNC(=O)c2ccncc2)cc1	95895139	WPDUKSWRCNVHDG-RCHPUGNMSA-N	379.460	2.220	0	1	GEAF	
Nc1ccnc2[nH]c(CS(=O)(=O)Nc3ccc(N4CCCCC4)cc3)nc12	586951471	WEMAYLFNENUXMH-UHFFFAOYSA-N	386.481	2.472	0	1	GEAF	
CCOC(=O)C(=O)NC[C@]1(c2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	587430599	WARZFQZDOYHQRR-OPAMFIHVSA-N	395.411	2.017	0	1	GEAF	
CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4ccnc(O)c4[nH]3)c2)o1	586923254	HMQTVKQFRTVAIN-UHFFFAOYSA-N	385.405	2.250	0	1	GEAF	
COC(=O)c1ccc2[nH]c(-c3cc(S(=O)(=O)NC(C)C)c[nH]3)nc2c1OC	586936766	UVNPNWYNPHANOW-UHFFFAOYSA-N	392.437	2.040	0	1	GEAF	
Cc1nn(C)c(C)c1[C@@]1(C(N)=O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	587579226	CQDVNSHKSRKSMC-DYESRHJHSA-N	393.399	2.085	0	1	GEAF	
CCOC(=O)CC[C@]1(CC(=O)OCC)NC[C@H]2CC(=O)N(C)c3cccc1c32	963020394	FWLMKERCLXUDLZ-SPLOXXLWSA-N	388.464	2.232	0	1	GEAF	
COCC(=O)N[C@@H]1CC[C@]2(C)CC[C@H]([C@H](C)C(=O)NC(C)(C)C)[C@H](O)[C@@H]2[C@@H]1C	2356317495	VYFULSKOMZIRSA-WYNRIEJVSA-N	396.572	2.492	0	1	GEAF	
O=C(NCc1ccccc1)Nc1ccsc1-c1nc(C(=O)O)c(O)c(=O)[nH]1	3583314	MZHWDRCBVCOGDC-UHFFFAOYSA-N	386.389	2.224	0	1	GEAF	
Cc1c(N2C[C@@H](N)[C@@H](CF)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12	6520955	AADYLSNYLTUYNV-XHDPSFHLSA-N	377.391	2.056	0	1	GEAF	
CSc1ccc(C(=O)N2CC(=O)N(Cc3cccs3)C[C@H](O)C2)cc1	105850757	DZXUIVGUSJTFGQ-AWEZNQCLSA-N	376.503	2.316	0	1	GEAF	
Cc1cc(Nc2nc(-c3ccc(C(C)(C)O)nc3)cc3ncn(C)c(=O)c23)[nH]n1	115625728	NDJFZWMSTRKSBX-UHFFFAOYSA-N	391.435	2.393	0	1	GEAF	
O[C@@H]1CS[C@@H](n2cnc3c(NCc4cccc(F)c4)nc(Cl)nc32)[C@@H]1O	28656106	YIHCHMWFJKTKDU-IXPVHAAZSA-N	395.847	2.198	0	1	GEAF	
COC(=O)c1ccc(-c2sc(N)nc2-c2ccc(P(=O)(O)O)o2)cc1	66112055	ATWWSFMWLREEAU-UHFFFAOYSA-N	380.318	2.242	0	1	GEAF	
C[C@@H]1CN(C=O)[C@@H]2[C@@H]1CC[C@]1(CO)C(=O)CC[C@H]3CCC=C3[C@]21CCC(=O)O	2356690259	QRJZOBVZBAQMAH-WHAYKDTESA-N	389.492	2.402	0	1	GEAF	
O=S(=O)(NCCc1cccc(CCc2nnn[nH]2)c1)c1ccc(Cl)cc1	72119917	OHDBZTSRWQXSOV-UHFFFAOYSA-N	391.884	2.159	0	1	GEAF	
Cn1nc(CC(=O)Nc2ncc(-c3ccccc3)c(O)n2)c2ccccc2c1=O	96930075	MHCSJAOJQFFKGV-UHFFFAOYSA-N	387.399	2.277	0	1	GEAF	
COC(=O)c1ccc2nc(-c3ccc(OCC(=O)NC(C)C)c(OC)c3)[nH]c2n1	587222411	ZGBUQYPNVATVGQ-UHFFFAOYSA-N	398.419	2.324	0	1	GEAF	
COC(=O)c1cc(Cl)c2[nH]c(CN(C)S(=O)(=O)c3cccnc3)nc2c1	586928892	NOGLQWMHFNRWOO-UHFFFAOYSA-N	394.840	2.219	0	1	GEAF	
CC(C)NC(=O)[C@H]1CN2CC[C@H]1C[C@H]2Cn1cc(COc2ccccc2)nn1	2356300599	NMYSQKCNGKXHEO-QRFRQXIXSA-N	383.496	2.092	0	1	GEAF	
Cc1ccccc1O[C@H](C)C(=O)NN1C(=O)CC(=O)N(c2ccccc2)C1=S	6523276	CSNKEOFAOMRFPN-CQSZACIVSA-N	397.456	2.344	0	1	GEAF	
Cc1ccsc1C(=O)N1CC[C@]1(C)C(=O)NS(=O)(=O)c1cccc(F)c1	61926306	KIKGRMJVXLQNCT-QGZVFWFLSA-N	396.465	2.305	0	3	GEAF	
COc1ccc([C@@H]2NN=C(c3cc(OC)c(OC)c(OC)c3)[C@H]2O)cc1OC	28457068	DODNQFWFPSVSHU-HKUYNNGSSA-N	388.420	2.139	0	1	GEAF	
COC(=O)C1=C2CCC3=C2[C@@]2(C1)[C@]1(C)[C@H](CC3)CN3C[C@@H](C)[C@H](C[C@H]1O)[C@@]32O	2356851299	QGBNRSITTUSHFL-KJOJMAMHSA-N	385.504	2.388	0	1	GEAF	
CNS(=O)(=O)c1ccc(Oc2ccc([S@](C)=O)cc2)c(CN(C)C)c1	40846069	ROTSFLNCGRVNJJ-XMMPIXPASA-N	382.507	2.186	0	1	GEAF	
O=C1COc2c(cc(O)cc2[C@@H](O)CNCCCc2cc(F)cc(F)c2)N1	1911578254	GVLKJLXWNIBYSP-KRWDZBQOSA-N	378.375	2.257	0	1	GEAF	
CCCCCCC(=O)/C=C/CCCC/C=C/C[C@H](O)[C@H](O)[C@@](N)(CO)C(=O)O	82047310	AHRPEPPVBKPDJQ-IMXBEPIISA-N	399.528	2.085	0	1	GEAF	
O=C(N[C@@H]1[C@H]2C[C@H]3C[C@@H]1C[C@@](O)(C3)C2)c1sc(OCCO)nc1C1CC1	263620794	NJXRHIKVLFLBME-ARPHTGQVSA-N	378.494	2.061	0	1	GEAF	in-vitro
O=c1cc(OC[C@@H](O)CN2CCN(c3ccccc3F)CC2)c2ccccc2o1	299833818	IULKBIKCJMRMDW-INIZCTEOSA-N	398.434	2.494	0	1	GEAF	
CO[C@@H]1O[C@@H](O)[C@@H]2C(C)(C)CC[C@@H]3OC(=O)[C@@]45C[C@H](CC[C@H]4[C@]312)[C@@H](C)C5=O	653722048	QZIYJYMZUWBXJX-DFWOURLLSA-N	378.465	2.277	0	1	GEAF	
COc1cccc2[nH]c(-c3c(I)c(C(=O)O)nn3C)nc12	587181674	ZHWNBWRCFSTWLM-UHFFFAOYSA-N	398.160	2.275	0	1	GEAF	
COC(=O)c1ccc2nc([C@H](C)Sc3nc(N)cc(O)n3)[nH]c2c1OC	586962581	SDNQVUZRDLMETR-ZETCQYMHSA-N	375.410	2.289	0	1	GEAF	
CCOc1ccc(-c2nn(C(=O)CC(N)=O)c(=O)c3ccccc23)cc1OCC	587668631	AUHRHPICRZQWDM-UHFFFAOYSA-N	395.415	2.377	0	1	GEAF	
Cn1ncc(N)c1C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O	587655944	DQGMDTZDUARWCI-UHFFFAOYSA-N	381.342	2.346	0	1	GEAF	
NS(=O)(=O)c1c(C(F)(F)F)[nH]c2c1c(Br)cc1n[nH]cc12	587621667	HAUTYZBLTRDWPM-UHFFFAOYSA-N	383.149	2.473	0	1	GEAF	
CC[C@@H](C)n1ncc(I)c1-c1nc2ncnc(N)c2[nH]1	587181593	WMMASIMMXCBCPX-ZCFIWIBFSA-N	383.197	2.374	0	1	GEAF	
O=C1[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3ccccc3)N2C(=O)CN1CCCO	16042367	GLQRJGQVJYNQFT-KNQAVFIVSA-N	389.455	2.235	0	1	GEAF	biogenic
CC(=O)c1ccccc1OC(=O)CCN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@@H]34)[C@H]2C1=O	169300378	BTBBTBLGIFDWMW-ILRNBGBRSA-N	379.412	2.238	0	1	GEAF	
COc1cc2c(cc1OC)CN(CCNCC(=O)Nc1ccc(F)cc1)CC2	169702801	HRFGVYWHQFHKKZ-UHFFFAOYSA-N	387.455	2.429	0	1	GEAF	
C[C@H]1O[C@]2(OCc3ccc(Cc4ccc(Cl)s4)cc32)[C@H](O)[C@@H](O)[C@@H]1O	1857587870	HZMKJODCNVFJEY-PXQMDTLBSA-N	382.865	2.177	0	1	GEAF	
COc1ccc(/C=c2/s/c(=C/C(=O)c3ccc(C)cc3)[nH]c2=O)cc1OC	100491711	VFAHSGFGAFUYPA-AYKLPDECSA-N	381.453	2.254	0	1	GEAF	
CCN(CC)C(=O)c1[nH]cnc1C(=O)NCCCCCNC(=O)OC(C)(C)C	36388189	OLSVYKIUQOXISP-UHFFFAOYSA-N	395.504	2.317	0	3	GEAF	
COc1cc(C(=O)[C@H](CO)c2cc(OC)c(O)c(OC)c2)cc(OC)c1O	14720505	PPFDYHVRBZKXGB-GFCCVEGCSA-N	378.377	2.091	0	1	GEAF	biogenic
COc1cc(OC)c2c(c1)C(=O)O[C@H]2c1coc(C[C@H](C)OC(C)=O)cc1=O	14828370	DFDYHSDDWXQPEL-OVWNDWIMSA-N	388.372	2.411	0	1	GEAF	biogenic
Cc1c(Cl)cccc1Cn1c(=O)nc(O)c2sc(N3CCOCC3)nc21	84741848	ATTUEJOKFCMKDX-UHFFFAOYSA-N	392.868	2.405	0	1	GEAF	
CCOC(=O)c1cnc(N2CC(Oc3ccc([C@H](C)NC(C)=O)cc3)C2)nc1	142231525	PONNFTGXJLMRMO-ZDUSSCGKSA-N	384.436	2.118	0	1	GEAF	
COc1cc(C=c2nc(O)c(=Cc3c[nH]c4ccccc34)nc2O)cc(OC)c1	253637326	FLAODWGLGUIWPC-UHFFFAOYSA-N	389.411	2.044	0	1	GEAF	
COC[C@@H](C)NC(=O)c1cnn2ccc(N3CCC[C@H]3c3cncc(F)c3)nc12	261152234	PDPJLIBDEWXTAI-DYVFJYSZSA-N	398.442	2.370	0	1	GEAF	
CC(C)C1=C(CNC(=O)C[C@@H]2C(=O)N[C@H](c3ccccn3)N[C@H]2C)CCCO1	618014341	UXDSPIAJNVVUIW-DKICVRJWSA-N	386.496	2.031	0	1	GEAF	
O=C1NCCn2ccc(Nc3nc(N[C@H]4CC[C@H](O)CC4)ncc3Cl)c21	299858097	QIBOGNIMIGKHTN-XYPYZODXSA-N	376.848	2.134	0	1	GEAF	
CCCCNS(=O)(=O)c1ccc2nc([C@@H](O)c3cccc(O)c3)[nH]c2c1	586893927	YABRWBYWVIJBEZ-KRWDZBQOSA-N	375.450	2.429	0	1	GEAF	
Cc1cc(S(N)(=O)=O)ccc1OCc1nc2cc(Br)ncc2[nH]1	586930560	SCWHIPWYMDPGRN-UHFFFAOYSA-N	397.254	2.255	0	1	GEAF	
CCOC(=O)C1CCN(C(=O)C[C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)CC1	587395515	NMUZZJXOXYMAKK-OAQYLSRUSA-N	388.464	2.493	0	1	GEAF	
CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4ccc(S(N)(=O)=O)cc4[nH]1)(C3)C2	587951648	XIVCPBJGHALRHH-NFAYLAGKSA-N	389.477	2.364	0	1	GEAF	
C[C@H]1C[C@H]2CSC(=N)N[C@@]2(c2nc(NC(=O)c3cnccn3)cs2)CO1	1772643807	IKSLBTJLVKHCPK-PUTJDCORSA-N	390.494	2.077	0	1	GEAF	
CC1(O)CCN(c2cccc(C(=O)NC3[C@H]4CC5C[C@H]3CC(O)(C5)C4)n2)CC1	169158567	ZJVFMQZGHZAALC-IRMGSCQOSA-N	385.508	2.102	0	1	GEAF	
COc1cccc(N2CCN(CC(=O)NCc3cccc(OC)c3OC)CC2)c1	203475406	YGVBYVYUEYCDKV-UHFFFAOYSA-N	399.491	2.151	0	3	GEAF	
OC[C@H]1[C@H](Cc2ccnc(C3CC3)n2)[C@@H](NCc2ccc(F)c(F)c2)C[C@H]1O	2356478388	CEBZWGVYNHFRPH-CPLUKWAASA-N	389.446	2.322	0	1	GEAF	
O=C(NCCO)c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)c1ccccc1	36519555	HFRVOQRRRDHBCD-UHFFFAOYSA-N	378.837	2.376	0	1	GEAF	
O=C(NCc1ccccc1)O[C@H]1CO[C@@H]2[C@H](OC(=O)C3CCCC3)CO[C@H]12	45506643	UPLFPBDRBGHRQW-XMTFNYHQSA-N	375.421	2.181	0	1	GEAF	in-vivo
Nc1ccc(CN/C=C2\C(=O)NC(=O)c3ccc(Br)cc32)cc1O	40980988	JPRSNAKTVNEWER-JYRVWZFOSA-N	388.221	2.138	0	1	GEAF	
CC(=O)OCc1ccc(C(O)(COC(=O)C(C)C)COC(=O)C(C)C)c(O)c1	238730970	AXAPUMVNMQHGKL-UHFFFAOYSA-N	396.436	2.041	0	1	GEAF	
CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@@H](C)NC[C@H]1C	95679883	CWLHXXSWRNJMCP-PJIJBLCYSA-N	389.496	2.129	0	1	GEAF	
CCC(=O)Nc1n[nH]c2c1CN([C@H]1CO[C@H](c3cc(F)ccc3F)[C@@H](N)C1)C2	653757126	QALWBJBQCBFJMD-DJCROIMJSA-N	391.422	2.210	0	1	GEAF	
CC(=O)OCC1(COC(C)=O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	587591231	BODFKGQMOCFLAK-KRWDZBQOSA-N	386.356	2.219	0	1	GEAF	
CNC(=O)[C@@H](C)Oc1ccccc1[C@H]1NCCc2ccc(C(=O)N(C)C)cc21	962932501	QIMHIUHCGKAPCX-JLTOFOAXSA-N	381.476	2.137	0	1	GEAF	
O=C(O)[C@@H]1Cc2ccc(Oc3ccc(O)cc3)cc2[C@]2(CC=Cn3ncnc32)N1	962926842	MZHPADKDNLFYCG-RXVVDRJESA-N	390.399	2.493	0	1	GEAF	
O=C(N[C@H]1CCCc2ccccc21)[C@@H]1CCCN(S(=O)(=O)c2c[nH]cn2)C1	13131481	LFTBGYFGPXVSSC-WBVHZDCISA-N	388.493	2.004	0	3	GEAF	
CCO[C@H]1OC(C(=O)NC2CC2)=C[C@@H](c2ccc3c(c2)OCO3)[C@@H]1CCCO	13657267	JFPVMUMSYIMXOL-QYWGDWMGSA-N	389.448	2.443	0	3	GEAF	
Cc1nc(CC(=O)N2CCC[C@H](CNS(=O)(=O)c3cccs3)C2)cs1	15066632	DHJCTGXWJSGTCP-CYBMUJFWSA-N	399.563	2.273	0	1	GEAF	
COC(=O)[C@]1(C)N[C@@H](c2cccs2)[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]21	169295361	UAQUHXAYVUOFLR-BKEDOTJMSA-N	388.420	2.269	0	1	GEAF	
CC(C)(C)NC1=NCCNC12CCN(S(=O)(=O)c1ccc(Cl)cc1)CC2	65074704	QHAGBAGLUIDWPC-UHFFFAOYSA-N	398.960	2.253	0	1	GEAF	
O=C1NC(=O)[C@H](c2cc(Cl)ccc2S(=O)(=O)Nc2ccc(F)cc2)N1	28224329	UJUJZEJMWIGCFX-ZDUSSCGKSA-N	383.788	2.160	0	1	GEAF	
CC1(C)[C@@H]2CC[C@](CC(=O)c3cc(O)ccc3O)(C(=O)O)CC2=C[C@H](O)[C@@H]1O	2356865832	VLKMPIWFTPSHEP-JXNBOPDTSA-N	390.432	2.230	0	1	GEAF	
C[C@@H]1CCC=C2C[C@@H]3OC(=O)[C@H](CN4CCC5(CC4)OCCO5)[C@@H]3[C@@H](O)[C@@]21C	504796730	NIQPEHCERNDLQS-QCFKTBRPSA-N	391.508	2.110	0	1	GEAF	biogenic
[O-][n+]1nc2c(I)cnn2c2cc(-c3ccco3)ccc21	71294694	QSIVKURIWMLZEI-UHFFFAOYSA-N	378.129	2.381	0	1	GEAF	
c1ccc(CCNc2nc(Nc3ccncc3)nc(N3CCNCC3)n2)cc1	45298862	AWMGQCCTIZRQSA-UHFFFAOYSA-N	376.468	2.074	0	1	GEAF	
CCC1=N[C@H]2C[C@@]3(C(=O)N(OC)c4ccccc43)[C@@H]3OC[C@H]2[C@H]1[C@H]3OC(C)=O	40972799	MLBPCDDHLQCMGP-RAXDMVSQSA-N	384.432	2.032	0	1	GEAF	
O=C(C1CCC1)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2C(=O)c1cccnc1	95866989	UNIXKLNLSTUFNF-WOJBJXKFSA-N	391.471	2.063	0	1	GEAF	
C=c1cc2c(o1)=C[C@H]1[C@@H]([C@@H](O)C[C@@]3(O)C(C)(C)CC[C@H](OC(C)=O)[C@]13C)[C@H]2C	238772886	GKDZFZCQXJRZKI-CCYZWOBJSA-N	388.504	2.074	0	1	GEAF	
O=C(CCC1CCNCC1)NS(=O)(=O)c1ccccc1OC(F)(F)F	98208709	GEYPQDLUWKGWHC-UHFFFAOYSA-N	380.388	2.170	0	1	GEAF	in-vitro
C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cnc(O)n(C)c2=O)N1	587799030	VVJSEUOBFDRSGB-PWJLMRLQSA-N	382.233	2.185	0	1	GEAF	
CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2c(N)ccnc2[nH]1	586937163	PPVUCWVUZSNQOF-CYBMUJFWSA-N	377.495	2.313	0	1	GEAF	
Oc1cc(O)nc(SCc2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)n1	586966981	QSPMXZAHZNPCCR-UHFFFAOYSA-N	397.420	2.116	0	1	GEAF	
O=C(O)CSc1nccc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)n1	957921595	LTSJBLGQURHNBA-UHFFFAOYSA-N	379.463	2.105	0	1	GEAF	
COc1cc2ncnc(N3CCN(C(=O)Nc4ccccn4)CC3)c2cc1OC	13491524	SMANIZWIOJQQOQ-UHFFFAOYSA-N	394.435	2.396	0	1	GEAF	
NS(=O)(=O)c1ccc(Nc2cc(OC3CCCCC3)nc3ncnn23)cc1	14948097	RPJIMTALCNCQLV-UHFFFAOYSA-N	388.453	2.227	0	1	GEAF	in-vivo
Nc1ncc(-c2ccccc2)nc1C(=O)Nc1cnccc1N1CCC(N)CC1	203759229	LLMXWBSEQIDLJG-UHFFFAOYSA-N	389.463	2.301	0	1	GEAF	
O=C1NC(=O)C(c2cn3c4c(cccc24)CNCC3)=C1c1cccc2c1CCO2	28133039	HBOIGMCCSYRJJS-UHFFFAOYSA-N	385.423	2.247	0	1	GEAF	
O=C(NC[C@@H]1CCCO1)C1=CNN2C1=N[C@H](c1ccccc1)C[C@@H]2C(F)(F)F	104013216	ATPTZKBZAUXFEA-CWRNSKLLSA-N	394.397	2.460	0	3	GEAF	
CN(NS(=O)(=O)c1ccccc1)S(=O)(=O)c1ccc2ccccc2c1	26247759	QTQMIMFVHOOHEW-UHFFFAOYSA-N	376.459	2.354	0	1	GEAF	
NCCc1nnc2n1-c1ccc(Br)cc1C(c1ccccn1)=NC2	27315622	RMAVNXFIBQFVHG-UHFFFAOYSA-N	383.253	2.277	0	1	GEAF	
COc1cc(OC)c2c(c1)O[C@@H](c1cc(O)c(OC)cc1O)[C@H](OC)C2=O	2356624599	HWWQQYHBKHIOIS-RBUKOAKNSA-N	376.361	2.455	0	1	GEAF	
Nc1ccccc1C(=O)O[C@@H]1CCN2C[C@H]3C[C@@H](CN4C(=O)CCC[C@H]34)[C@@H]2C1	2356690162	OEPJRGZBPIEMEZ-YMBUTIGBSA-N	383.492	2.289	0	1	GEAF	
O=C(Nc1nccs1)[C@@H]1CN2CC[C@H]1C[C@H]2Cn1cc(-c2ccccn2)nn1	2356845439	OEXGSUOKGORFCP-SOUVJXGZSA-N	395.492	2.146	0	1	GEAF	
COCCN(CCOC)Cc1coc(-c2cc(OC)c(OC)c(OC)c2)n1	72181835	OURIJGLBMWVGSF-UHFFFAOYSA-N	380.441	2.462	0	1	GEAF	
Nc1ccc(C2=NN=C3C(F)=Cc4c(n(C5CC5)cc(C(=O)O)c4=O)N3C2)cc1	1911577110	CSIDWXBOSHKBJP-UHFFFAOYSA-N	393.378	2.410	0	1	GEAF	
CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN[C@H](C)CO2	95688784	NSJHBAKZFARZIY-HBUWYVDXSA-N	377.485	2.129	0	1	GEAF	
CCCN1[C@H](C(=O)N[C@@H](C)c2ccccc2)[C@@H](CO)[C@@H]2Cn3c(cccc3=O)[C@@H]21	95796853	YIELOQINJAINDP-AHIJYVNXSA-N	395.503	2.099	0	1	GEAF	
COc1ccc(OC)c(S(=O)(=O)N2C[C@@H]3ON=C(c4ccccc4)[C@H]3C2)c1	263590383	WSZLJFGIQMLXKO-RDJZCZTQSA-N	388.445	2.127	0	3	GEAF	
CS(=O)(=O)/C=C\c1nc2c(Br)cnc(Br)c2[nH]1	586922697	BSQZYBDRKRQWEQ-IHWYPQMZSA-N	381.049	2.498	0	1	GEAF	
CC(C)(C)OC(=O)NC1(c2nc3[nH]c(=N)[nH]c(Cl)c-3n2)CCC(O)CC1	587236696	FLEQZRSNORCUBB-UHFFFAOYSA-N	382.852	2.025	0	1	GEAF	
Nc1ncc2[nH]c(-c3cccc(=O)n3CCOc3ccccc3Cl)nc2n1	587063898	CMVMLGCFLDMAET-UHFFFAOYSA-N	382.811	2.496	0	1	GEAF	
C[C@]1(c2ccc(NC(=N)N)cc2)N[C@@H](C(=O)O)Cc2c1cnc1ccccc21	963218138	CBGGUMVTLVYAFH-WIYYLYMNSA-N	375.432	2.403	0	1	GEAF	
COc1ncnc(OC)c1[C@H]1c2ccccc2C[C@]2(C3CCC3)C(=O)NC(=O)N12	962660244	GRALBOVVHXVAPF-IERDGZPVSA-N	394.431	2.230	0	1	GEAF	
COc1ccc([C@H]2[C@H](C(=O)c3ccccc3)C(=O)C(=O)N2C[C@@H](C)O)c(OC)c1	169687296	JIRPRLPGOFAVAX-ZNOIYHFQSA-N	397.427	2.036	0	1	GEAF	
COCCCN1C(=O)C(=O)[C@@H](C(=O)c2ccccc2)[C@@H]1c1ccc(O)c(OC)c1	169687621	XUWYUDMXESFEHT-MOPGFXCFSA-N	397.427	2.389	0	1	GEAF	
C[C@@H](N=c1nc(-n2ccc(C(F)(F)F)n2)[nH]c(=N[C@H](C)C2CC2)[nH]1)C1CC1	1857769638	ZFCNVKABVPLJJM-NXEZZACHSA-N	381.406	2.341	0	1	GEAF	
C[C@]12CC[C@@H]3[C@H](C(=O)C=C4C[C@@H](OS(N)(=O)=O)CC[C@@]43C)[C@@H]1CCC2=O	27633617	NLZQPPGKBLUUGV-KSMUWFOTSA-N	381.494	2.286	0	1	GEAF	
CCn1cc(C(=O)O)c(=O)c2cc(Br)c(N3CCN(C)CC3)cc21	28765611	BMIRJNRBWKGXAD-UHFFFAOYSA-N	394.269	2.234	0	1	GEAF	
COc1ccc([C@@H]2CNCc3cc(OCCCN4CCOCC4)ncc32)cc1	28883594	INWLSQYDDFJBQN-FQEVSTJZSA-N	383.492	2.426	0	1	GEAF	
C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(Sc3nc4ccc(N)cc4s3)[C@H](C)[C@H]12	29217447	NWYCYVQZLBITTO-XWTBWJTNSA-N	391.474	2.124	0	1	GEAF	
CCOC(=O)c1c(SC)nn2c(=O)n(-c3ccc(C(F)(F)F)cc3)nnc12	35245066	KEAMVUKYJJPFFU-UHFFFAOYSA-N	399.354	2.193	0	1	GEAF	
CNC[C@H]1Oc2ncc(-c3cccc(F)c3)cc2C(=O)N([C@H](C)CO)C[C@H]1C	95717211	PAPGUZKSUSUECO-PJIJBLCYSA-N	387.455	2.327	0	1	GEAF	
CN/C(=C\[N+](=O)[O-])NCCSCc1ccc(CN[C@H]2C3C[C@H]4C2[C@@H]4C3)o1	100369538	NIEBFIZWKXFMDD-MJCFWJCDSA-N	378.498	2.141	0	1	GEAF	in-man
Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4cccnc4-c4ccn[nH]4)C[C@H]3C2)n1	116823749	DTWYRJKWNIHGNW-IYBDPMFKSA-N	389.463	2.087	0	1	GEAF	
CC(C)n1ncc2c1C(=O)NC1(CCN(C(=O)c3cc4ncccc4[nH]3)CC1)C2	167299538	IOBQZXIUUDKZNT-UHFFFAOYSA-N	392.463	2.301	0	1	GEAF	
O=C(O)c1cc2c([nH]c3ccc(O)cc32)c(CCC(=O)N2CCC[C@H]2C(=O)O)n1	205940133	JVUGECMMPVUPLD-INIZCTEOSA-N	397.387	2.128	0	1	GEAF	
CC(C)C[C@H](NC(=O)c1ccc([C@@H]2CCOC2)c(OCC2CC2)n1)C(N)=O	207731688	IMMUFOLFKYAARW-PBHICJAKSA-N	375.469	2.004	0	1	GEAF	
Nc1nc(O)c2nc(-c3cc(C(F)(F)F)ncc3Br)[nH]c2n1	587116486	YUKCJUHRESGNPV-UHFFFAOYSA-N	375.108	2.484	0	1	GEAF	
CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2ccc(Br)c(O)c2[nH]1	587205131	XWQWPRILSIDXJI-SNVBAGLBSA-N	383.246	2.110	0	1	GEAF	
Cc1cc(N)c2c(c1)C(=O)C[C@@](CCN1CCOCC1)(c1cn(C)nc1C)O2	587392547	ZLTSAVJRGVTZEG-NRFANRHFSA-N	384.480	2.202	0	1	GEAF	
CCOC(=O)Cc1nc2ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc2[nH]1	587777549	APKRKEIIWMZIFC-UHFFFAOYSA-N	389.433	2.478	0	1	GEAF	
CCOC(=O)[C@@H](C(C)C)[C@]1(C(=O)OCC)N[C@H](C(=O)O)Cc2cc(F)ccc21	962903260	UFGWMXSCQSNZSN-RZQQEMMASA-N	395.427	2.018	0	1	GEAF	
Cc1ccc(S(=O)(=O)NC(=O)[C@@]2(C)CCN2C(=O)C2CCCCC2)cc1	61908836	KYJUCWJJEDTRRG-LJQANCHMSA-N	378.494	2.371	0	3	GEAF	
CC(C)(C)[C@H](C(=O)NCc1ccccc1)N1CCN(C(=O)[C@@H]2CCCO2)CC1	199246245	SNFRQKUJPJADRW-OALUTQOASA-N	387.524	2.041	0	3	GEAF	
C[C@@H]1CCCCN1C(=O)C1CCN(S(=O)(=O)c2cccc3nonc23)CC1	2498464	PETNACZMIWWCGZ-CYBMUJFWSA-N	392.481	2.025	0	1	GEAF	
Cc1ccc(CCNS(=O)(=O)c2ccc3c(c2)NC(=O)[C@H](C)C(=O)N3)cc1	6817171	BJPLLMUIWJCXCF-CYBMUJFWSA-N	387.461	2.043	0	3	GEAF	
COC(=O)COc1ccc(OC[C@H](C)NC[C@@H](O)COc2ccccc2)cc1	29468605	JEELBBUJXGIBEN-DLBZAZTESA-N	389.448	2.035	0	1	GEAF	
O=C1NC(=S)N/C1=C/c1ccc(-c2ccc3c(c2)CN(CCCO)C3=O)s1	103231575	FAHSYOLAZVYRKH-OQLLNIDSSA-N	399.497	2.099	0	1	GEAF	
CC(C)NC[C@@H]1Cn2c(cc3ccc(C(=O)Nc4nccs4)cc32)C(=O)N1	29125910	CEDLSFPRHQTGPW-CQSZACIVSA-N	383.477	2.460	0	1	GEAF	
CN(c1ncnc2[nH]ccc12)[C@H]1CC[C@H](CS(=O)(=O)N2CC[C@H](F)C2)CC1	117612145	NETGVMWNCJQIAR-SOUVJXGZSA-N	395.504	2.327	0	1	GEAF	
N=C(N)NCCC[C@@H](NC(=O)c1ccc(-c2ccc(F)c(Cl)c2)o1)C(=O)O	28707129	FBNZRFLYJMGQAK-GFCCVEGCSA-N	396.806	2.185	0	1	GEAF	
O=C(c1ccco1)[C@@H]1[C@@H](c2cccc(O)c2)NC(=S)N[C@@]1(O)C(F)(F)F	66098381	GYSHSDNKONAQSY-ZOWXZIJZSA-N	386.351	2.254	0	1	GEAF	
COc1ccc(N2C(=O)[C@@H]3C[C@@H](NC(=O)Cc4cccs4)CCN3C2=O)cc1	3841245	CYVKYJDMSNRHIS-GUYCJALGSA-N	399.472	2.415	0	1	GEAF	biogenic
CC(=O)Nc1ccc(-c2nc3c(c(=O)n(C)c(=O)n3C)n2-c2ccccc2)cc1	72172229	GZXLVRWORQBUDO-UHFFFAOYSA-N	389.415	2.048	0	1	GEAF	
COc1ccc(C(=O)[C@H]2[C@H](c3ccccc3)ON(C)[C@@H]2P(=O)(O)O)c(O)c1	71329943	UVRYXBNGCLQPIC-RYQLBKOJSA-N	393.332	2.322	0	1	GEAF	
COc1cccc(CNc2c3n(c(=O)n(Cc4ccncc4)c2=O)[C@@H](C)CN3)c1	82211346	AHXLVOCIRATZFR-AWEZNQCLSA-N	393.447	2.061	0	1	GEAF	
CCCCCC(=O)O[C@H]1C[C@]2(C)O[C@H]2CC[C@@](C)(O)/C=C2/OC(=O)C(CO)=C21	238759952	OCVIRSZABICODH-PXVJZRLVSA-N	394.464	2.301	0	1	GEAF	
O=S(=O)(NC1CCN(Cc2ccncc2)CC1)c1ccc(-n2cccn2)cc1	299820706	IGJNWDSSVRBHHP-UHFFFAOYSA-N	397.504	2.210	0	1	GEAF	
CN1CC[C@@H](CNC(=O)c2ccc(NC(=O)N3Cc4ccncc4C3)cc2)C1	166409381	LWRPDLIPXWMHIH-HNNXBMFYSA-N	379.464	2.311	0	1	GEAF	
COCC(=O)N[C@@H]1[C@H](c2cccs2)N(Cc2nccs2)CC[C@@]1(C)O	2356289322	TWDAWNZPDUYLIX-GVDBMIGSSA-N	381.523	2.034	0	1	GEAF	
C[C@H]1[C@H](N)CN1c1c(F)cc2c(=O)c3c(O)nsc3n(C3CC3)c2c1F	27411370	LHXQETXIGGEBOK-QUBYGPBYSA-N	378.404	2.466	0	1	GEAF	
COc1ccc2c(c1OC)CN(C)[C@@H]1c3cc4c(cc3[C@@H](O)[C@H](O)[C@H]21)OCO4	34490623	IOFIEYRGKAUECR-UAFMIMERSA-N	385.416	2.111	0	1	GEAF	
COc1cc2oc(=O)c(CC(=O)N3CCC[C@@H]3C(=O)O)c(C)c2cc1Cl	2114258	NFEKEXWQVVAZQN-CYBMUJFWSA-N	379.796	2.382	0	1	GEAF	biogenic
COc1ccc(-c2c(F)ccc3c(N)c(C(=O)NC4CC4)nnc23)c(OC)n1	71296051	FGOCJZANGVRDDB-UHFFFAOYSA-N	383.383	2.323	0	1	GEAF	
O=C(Nc1ccccc1F)N[C@H]1C=C[C@H](CC(=O)N2CCCCC2)O[C@H]1CO	95906442	DLOREXMLRXXTRO-JLSDUUJJSA-N	391.443	2.034	0	1	GEAF	
N#Cc1cccc(NC(=O)NC[C@H]2C[C@H]3CCN2C[C@@H]3CN2CCSCC2)c1	43527271	HNYGEYRGZOOJPP-WSTZPKSXSA-N	399.564	2.439	0	1	GEAF	biogenic
CCCc1c(O)ccc2c1O[C@@]1(CCS(=O)(=O)C[C@@H]1C(=O)OCC)CC2=O	587495024	ZMUBMAJODPARSZ-KUHUBIRLSA-N	396.461	2.047	0	1	GEAF	
COc1n[nH]c2cc(NC(=O)NCc3ccccc3OC(F)F)nc(CO)c12	1772608619	MPRQFBFVKKLOPL-UHFFFAOYSA-N	393.350	2.382	0	1	GEAF	
Cc1ccc(C(=O)N2CCN3[C@@H](CN(Cc4ccccc4)C[C@@]3(C)CO)C2)cc1	2356303316	QLZYDQSMDMQVPU-UPVQGACJSA-N	393.531	2.388	0	1	GEAF	
CC[C@@H]1C[C@H]2C[C@@]3(C(=O)OC)c4[nH]c5ccc(OC)cc5c4[C@H]4O[C@@H]2N([C@@H]13)[C@@H]4O	2356543902	VQGAYUYOVHVHFB-LBFSGVNQSA-N	398.459	2.437	0	1	GEAF	
COc1c(O)cc(-c2oc3cc(O)c(OC)c(O)c3c(=O)c2OC)cc1O	15271622	FPFLMCPZDZURSF-UHFFFAOYSA-N	376.317	2.308	0	1	GEAF	biogenic
Cc1ccc(S(=O)(=O)N2C=Cc3cc(Br)sc3B2O)cc1	195132382	HHNVOLUVRREYMV-UHFFFAOYSA-N	384.085	2.182	0	1	GEAF	
Cc1c(Cc2ccc(F)c(C(=O)N3CCC4(CCCN4)CC3)c2)n[nH]c(=O)c1C	45356524	WDRUPQIBBGZODL-UHFFFAOYSA-N	398.482	2.475	0	1	GEAF	
O=C(c1cccc(Cl)c1)N1CCN(c2nn3nnnc3c3ccccc23)CC1	169312452	YWNLKKLOSYJYAC-UHFFFAOYSA-N	393.838	2.288	0	1	GEAF	
N[C@H](CCc1ccccc1)[P@@](=O)(O)C[C@@H](Nc1ccc(CO)cc1)C(=O)O	169361146	LEMGWCKUERHQMH-MSOLQXFVSA-N	392.392	2.232	0	1	GEAF	
O=C1CCc2cc(/C=C/C(=O)N3CCC(O)(c4ccccc4)CC3)cnc2N1	169707517	FPEKLOOAKYGFFC-RMKNXTFCSA-N	377.444	2.490	0	1	GEAF	
O=C(Nc1ccc(N2CCOCC2)nc1)c1nnc(Nc2ccc(F)cc2)o1	34660505	PSXDNVACCFYRGZ-UHFFFAOYSA-N	384.371	2.436	0	1	GEAF	
Cc1ccc(CN2CCN(CC(=O)NC[C@H]3COc4ccccc4O3)C2=O)cc1	6728630	RJCHOKDWEZYNQS-SFHVURJKSA-N	395.459	2.189	0	1	GEAF	
Nc1nc(-c2ccc(C(=O)N3CCOCC3)cc2)cn2nc(-c3ccco3)nc12	28525563	HBJDPRRWVDNJBD-UHFFFAOYSA-N	390.403	2.106	0	1	GEAF	
CC(C)(C(=O)NC1[C@@H]2CC3C[C@@H]1CC(S(N)(=O)=O)(C3)C2)c1ccccc1	101102616	NNKZNDAYDMLMIA-IBIAUYFBSA-N	376.522	2.316	0	1	GEAF	
C[C@@](O)(c1ccc(S(=O)(=O)c2ccccc2CC(N)=O)cc1)C(F)(F)F	64560610	YVBOUXSVKPCZRJ-MRXNPFEDSA-N	387.379	2.317	0	1	GEAF	
Cc1ccc(O)c(Cn2c(NC3CCN(CCN)CC3)nc3ccccc32)n1	22040765	QISSQPBSNLZVBR-UHFFFAOYSA-N	380.496	2.329	0	1	GEAF	
COC(=O)C=C(C)C1=N[C@H]2C[C@]3(C(=O)N(OC)c4ccccc43)[C@H]3C[C@H]1[C@H]2CO3	2356747553	DFAOGMHFJLSDPA-GTFMFNEXSA-N	396.443	2.200	0	1	GEAF	
CN(C)c1ccc(C(=O)OC[C@@]2(CO)C/C(=C\c3ccncc3)C(=O)O2)cc1	45495780	PUONMCPYNHSWMF-RKPWUKJMSA-N	382.416	2.066	0	1	GEAF	
COc1cc2nc(N3CCC(C(N)=O)CC3)nc(NCC(C)C)c2cc1OC	82128451	QCRZWMVKAPAATM-UHFFFAOYSA-N	387.484	2.417	0	1	GEAF	
CC(C)(C)OC(=O)N1CCN(CC(=O)Nc2cccc3c2CCC(=O)N3)CC1	84687618	OIIVYYNESVJMIE-UHFFFAOYSA-N	388.468	2.063	0	1	GEAF	
O=C(Nc1ccccc1)N[C@@H]1CO[C@@H]2[C@@H](OC(=O)NC3CCCCC3)CO[C@H]21	25217352	IIGRHNPQMJIXBL-VSZNYVQBSA-N	389.452	2.402	0	1	GEAF	biogenic
COC(=O)C[C@@H]1CC[C@H](NC(=O)Nc2ccc(C(F)(F)F)cc2)[C@@H](CO)O1	95675886	HFDKIVHAHGCNSH-MELADBBJSA-N	390.358	2.299	0	1	GEAF	
Cc1noc(-c2cnn3c2[nH][n+](=O)c2ccc(OCc4ccncc4)cc23)n1	377845410	PGEVILZCAYNHNF-UHFFFAOYSA-N	376.356	2.063	0	1	GEAF	
C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1	586938963	MBEKUQHKIVVNLN-SSDOTTSWSA-N	391.350	2.494	0	1	GEAF	
NC(=O)[C@H]1Nc2ccccc2[C@]2(NCCc3c(Cl)cc(Cl)cc32)C1=O	963106328	KVJGKLXSZSGVKB-MAUKXSAKSA-N	376.243	2.231	0	1	GEAF	
Cc1cn(C/C=C\CNC(=O)Cc2ccc(-c3ccccc3)cc2)c(=O)[nH]c1=O	13538417	NNHYUNNGFXOCDC-WAYWQWQTSA-N	389.455	2.427	0	1	GEAF	
C[C@@H]1CS[C@@H](COc2ncccn2)CN1C(=O)c1ccccc1-n1nccn1	207394024	PLKXAVKHPCGOAE-HUUCEWRRSA-N	396.476	2.082	0	1	GEAF	
CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](NC(=O)c2ccncc2)CC[C@H]3[C@H]1C5	1857628899	AYDJUACVCVNXRY-NXASZBTQSA-N	391.471	2.255	0	1	GEAF	
CNC(=N)NC[C@]1(C)[C@H]2CC3=C(C(=O)O)[C@H](O)C[C@]31[C@@H](C)CC21CCCC1	2356370772	SWKFANOTEGEVNM-BYEFBILNSA-N	375.513	2.489	0	1	GEAF	
CCCCCC(=O)O[C@@H]1C[C@](C)(O)[C@H]2CC[C@@](C)(C=C3OC(=O)C(CO)=C31)O2	2356379954	MGPYQXSGMJBBSY-RFZJPIJTSA-N	394.464	2.301	0	1	GEAF	
COCc1cc(C[C@@H]2CC[C@H](O)[C@H](CNC(=O)Nc3ccc(F)cc3)O2)no1	2356287319	GUPPHIOFGROWIM-SZMVWBNQSA-N	393.415	2.233	0	1	GEAF	
CC1CCN(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccc(F)cc3)C2)CC1	8662108	MFJJNJVVOWSBBZ-QGZVFWFLSA-N	397.516	2.131	0	3	GEAF	
COC(=O)c1ccc2nc(CO[C@H]3CN(Cc4cccnc4)C[C@@H]3F)[nH]c2c1	2356311076	HHBNLGUFOXITSD-YJBOKZPZSA-N	384.411	2.484	0	1	GEAF	
CCCS(=O)(=O)NC(=O)[C@@]1(C)CCN(C(=O)c2ccc(F)cc2Cl)C1	61897524	OONSUTQFRJBPNU-INIZCTEOSA-N	390.864	2.187	0	3	GEAF	
COc1cccc(-n2cc(C(=O)c3cc(OC)c(OC)c(OC)c3)nn2)c1O	66166542	GRJXFHGBAXEHGF-UHFFFAOYSA-N	385.376	2.238	0	1	GEAF	
CC[C@H]1[C@H]2[C@@H]3CC[C@@H]([C@@H]4C[C@H](C)C(=O)O4)N3CCC[C@H]2[C@@H]2[C@H]1OC(=O)[C@]2(C)O	2356698814	PMKAPBDTZVDGSB-MWPWSCLJSA-N	391.508	2.130	0	1	GEAF	
COC(=O)[C@@H]1C[C@]23C(=O)[C@]45C[C@H](O)[C@@]2(C)[C@H](CCC2=C3[C@@H]1CC2)CN4C[C@H]5C	35307406	XYBWHJFHFYZPNI-PLMJFHJWSA-N	385.504	2.326	0	1	GEAF	
O=C(O)CC[C@H](NC(=O)c1ccc(/C=C2\SC(=S)N=C2O)cc1)C(=O)O	43059456	WTDHGQVHFUZGJX-QBQSQJOESA-N	394.430	2.064	0	1	GEAF	
COC[C@H](Cc1ccccc1)Nc1nc(N2CCC(C(N)=O)CC2)ncc1C	82212950	CORNJOKNFBHFCD-SFHVURJKSA-N	383.496	2.156	0	1	GEAF	
Cc1ccc(NC2=NS(=O)(=O)c3ccc(NC(=O)CCC(=O)O)cc32)cc1	95589888	IVMKQGARPNFRBF-UHFFFAOYSA-N	387.417	2.359	0	1	GEAF	
COCC(=O)N1[C@H](CO)[C@@H]2c3ccccc3N(C(=O)Nc3ccccc3F)C[C@@H]21	95893593	GNLKHVNMWWCHSH-NLWGTHIKSA-N	399.422	2.180	0	1	GEAF	
CCOC(=O)[C@@H](CO)NC(=O)c1cc(-c2ccccc2)nn1Cc1ccccc1	95553553	ZEIKPSGLSGHPDS-LJQANCHMSA-N	393.443	2.252	0	1	GEAF	
CNS(=O)(=O)c1ccc(-c2cc3c(Nc4ccncc4)ncnn3c2)cc1	299830436	MZZPKOYTSZDYRW-UHFFFAOYSA-N	380.433	2.443	0	1	GEAF	
CC[C@H](c1nc2cnnc(O)c2[nH]1)n1cc(I)c(C)n1	587184990	OLZRJWRVHXZSGN-SECBINFHSA-N	384.181	2.167	0	1	GEAF	
O=C(O)[C@@H]1CC2(C[C@H]1C(=O)O)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1	587612793	WIZMJGJTEPCMMZ-LALPHHSUSA-N	384.340	2.288	0	1	GEAF	
CCOc1n[nH]c2cc(NC(=O)N[C@@H](c3ccccc3)C(C)(C)O)nc(CO)c12	1772624516	ASZGDQNHRGDOOW-KRWDZBQOSA-N	399.451	2.483	0	1	GEAF	
CN1C=CN([C@@H]2OC(C(F)(F)F)=CN2c2ccc(S(N)(=O)=O)cc2)C=C1	1772611896	APKHPKVAESWMHG-AWEZNQCLSA-N	388.371	2.048	0	1	GEAF	
O=C(Nc1cc(-c2ccc3c(c2)OCO3)[nH]n1)c1ccc(N2CCNCC2)cc1	1857558928	HAOJKGPAYYRBDX-UHFFFAOYSA-N	391.431	2.467	0	1	GEAF	
CNS(=O)(=O)c1ccc(Nc2nccc(-c3cnc4ccccn34)n2)cc1	590706	DVXQLDHXZVJSHW-UHFFFAOYSA-N	380.433	2.443	0	1	GEAF	
Cc1ccc(CN2C[C@@]34C=C[C@H](O3)[C@@H](C(=O)NCc3ccco3)[C@@H]4C2=O)cc1	104431937	RWKZFNODIXGMSY-JZJXAQOMSA-N	378.428	2.186	0	1	GEAF	
Cc1cc(O)c([C@H](O)c2c(O)cccc2O)c2c1OC(C)(C)[C@@H](O)COC2	2356850031	PZQTZTHNLXNNSJ-YJBOKZPZSA-N	376.405	2.242	0	1	GEAF	
Fc1ccc([C@H](c2nnnn2Cc2ccccc2)N2CCn3cnnc3C2)cc1	62225019	UPAVVBVOLKJIJO-LJQANCHMSA-N	390.426	2.057	0	1	GEAF	
CCCNc1nc(NCCc2ccncc2)ncc1-c1nnc(CN(C)C)o1	45497196	HAKVRESBWHXJLK-UHFFFAOYSA-N	382.472	2.460	0	1	GEAF	
COC(=O)NCCNC(=O)CO[C@H](c1cccs1)c1cccnc1Cl	45315514	UKQZTAOVFLQQMZ-AWEZNQCLSA-N	383.857	2.375	0	1	GEAF	
COC(=O)[C@@]1(CO)CCCC2=C1[C@@H](O)C[C@@H](C)[C@]21C[C@@H](c2ccoc2)OC1=O	1911580440	MTAKLKTWAZHZFA-HUPAGLDKSA-N	390.432	2.287	0	1	GEAF	
CN1C[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]2[C@@]12C(=O)Nc1ccccc12	195449751	UMKQHLAXKPCSDV-RISOHXOYSA-N	381.819	2.239	0	1	GEAF	
Cc1ccc(C(=O)N[C@@H]2CO[C@@H]3[C@@H](OC(=O)NC4CCCCC4)CO[C@H]32)cc1	25212993	SIUGXYOYJVIPQF-YDZRNGNQSA-N	388.464	2.319	0	1	GEAF	biogenic
COC(=O)CC[C@@]1(C(=O)OC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	587593210	KOPLNRZOUBFSBG-OXJNMPFZSA-N	386.356	2.219	0	1	GEAF	
O=S(=O)(NCc1nc2cc(F)c(F)c(F)c2[nH]1)c1ccc2c(c1)OCCO2	586941588	KYDQFAZPKHUEAT-UHFFFAOYSA-N	399.350	2.230	0	1	GEAF	
CCCS(=O)(=O)N1CCC(c2nc3ccc(C(=O)N(C)C)cc3[nH]2)CC1	586951980	FOMYWUNEJXQCGT-UHFFFAOYSA-N	378.498	2.184	0	1	GEAF	
O=S(=O)(N[C@@H](c1ccccc1)c1nc2cnnc(O)c2[nH]1)c1ccc(F)cc1	587170780	SHHPFQJDUFYTED-HNNXBMFYSA-N	399.407	2.266	0	1	GEAF	
CC(C)[C@H]1c2cc(O)ccc2C[C@@H](C(=O)O)N1C(=O)[C@@H](N)Cc1ccccc1	963666116	JNFQJWRMHBBBPP-UFYCRDLUSA-N	382.460	2.497	0	1	GEAF	
COc1ccc(-c2ccc3c(c2)C[C@H](CNC(=O)CCn2ccc(C)n2)O3)nn1	14884261	XOWRGLCWAAQUGZ-QGZVFWFLSA-N	393.447	2.167	0	1	GEAF	
O=C1C[C@H](Cc2ccccc2)NC(=O)[C@@H]1C(=O)Nc1ccc(-n2ccnc2)cc1	169727289	ZAJZGCBEMFZEID-PXNSSMCTSA-N	388.427	2.127	0	1	GEAF	
CCc1cc(-c2ccc[n+]([O-])c2)cc(S(=O)(=O)c2cnc(CN)s2)c1	1857561312	JARUFIYGARERQG-UHFFFAOYSA-N	375.475	2.297	0	1	GEAF	
CC(=O)OC[C@@]12CC[C@H]3[C@@](C)(CO)[C@@H](O)C(=O)C[C@]3(C)[C@H]1CCc1cocc12	1857597863	HBPUBFLTLMMQEH-KQFPAPQFSA-N	390.476	2.392	0	1	GEAF	
Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccc(C(=O)O)cc2)cc1	13259686	DIGWVYKSMJRYEM-KRWDZBQOSA-N	388.445	2.485	0	1	GEAF	
COc1cccc(NC(=O)NCc2cccc(N3C(N)=NC(N)=NC3(C)C)c2)c1	16955948	FBIKORUIRSMNAY-UHFFFAOYSA-N	395.467	2.202	0	1	GEAF	
CN(C)C[C@H]1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2N)C1	28110641	GGLADKPXXILOHS-LLVKDONJSA-N	388.443	2.144	0	1	GEAF	
CCN(C)C(=O)c1cnc(N2CCC[C@@H](C(N)=O)C2)nc1-c1ccc(F)cc1	82141570	VUUADCZYUDNUNC-CQSZACIVSA-N	385.443	2.076	0	1	GEAF	
CCCN1[C@@H]2c3ccc(C4=CCCCC4)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)NCC	95879392	XKGIUNJFUAFPFC-MJUUVYJYSA-N	399.535	2.315	0	1	GEAF	
CN1[C@@H]2c3ccc(C4=CCCC4)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)N1CCCCC1	95881302	VYIPPOWBPBOWCS-MJUUVYJYSA-N	397.519	2.022	0	1	GEAF	
CCCNC(=O)N1[C@H](CO)[C@H](c2ccccc2)[C@@H]1CNC(=O)c1ccccc1	95895331	BDBCNCHRSQLNJW-XUVXKRRUSA-N	381.476	2.365	0	1	GEAF	
CCCc1nccn1[C@H](CC(=O)OCC)[C@@H]1O[C@H]2OC(C)(C)O[C@H]2[C@@H]1OC	96903067	YMWINJDXMNADPA-IDTSGUGQSA-N	382.457	2.221	0	1	GEAF	
Cc1nn(C2CCCCC2)c2sc(C(=O)NCCN3C(=O)CNC3=O)cc12	114710895	YUUCXQBRRGSZLU-UHFFFAOYSA-N	389.481	2.193	0	1	GEAF	
Cn1cnc2cc(-c3ccc(C(C)(C)N)cc3)nc(N[C@@H]3CCOC3)c2c1=O	115624520	IZMDUQFILVUHPI-OAHLLOKOSA-N	379.464	2.390	0	1	GEAF	
Oc1nc(N2CCOCC2)nc(N[C@H]2CCNC2)c1-c1nc2ccccc2s1	473113273	IGJWOWPLWVZDRD-LBPRGKRZSA-N	398.492	2.069	0	1	GEAF	
COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2ccc(S(N)(=O)=O)cc2[nH]1	586916453	MMRHSJODGQJYDZ-LIRRHRJNSA-N	385.445	2.427	0	1	GEAF	
CNC(=O)c1nc[nH]c1C(=O)n1nc(-c2ccccc2C(F)(F)F)cc1OC	587863935	TUPMRGGXLYFJEV-UHFFFAOYSA-N	393.325	2.349	0	1	GEAF	
C[C@@H]1[C@H](c2ccc3c(n2)N(C)S(=O)(=O)N3C[C@H]2CC2(F)F)[C@H]1C(C)(C)O	1772590171	XKZJGPAQRAEUDQ-MHWZDGSBSA-N	387.452	2.358	0	1	GEAF	
c1ccc(CN[C@@H]2CO[C@H]3[C@H]2OC[C@H]3Nc2nccc(-c3ccco3)n2)cc1	2356846773	OQMFJLOMERMOED-IZBJGVDFSA-N	378.432	2.473	0	1	GEAF	
Cc1nn(C)c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NC2CCCCCC2)C1	5005248	KQCIZPUDLOHUJC-MRXNPFEDSA-N	396.557	2.277	0	3	GEAF	aggregator
CN(C)c1ccc(C2=NOC[C@@]2(C)C(=O)N[C@@H](CO)Cc2ccccc2)cc1	769664	AMQDYMCMUMKLDY-XMSQKQJNSA-N	381.476	2.213	0	1	GEAF	
C[C@]12CC[C@@H](O)[C@](C)(CO)[C@H]1CC[C@@H](O)[C@H]2CC(=O)NCc1ccccc1	2356321563	BBWGJBKNBIHRGJ-ZKPRYKGHSA-N	375.509	2.240	0	1	GEAF	
CCCCO[C@H]1C[C@H](C(=O)N[C@H](CO)CC(C)C)N(C(=O)c2ccco2)C1	4545969	ZXIGQFVDVIECRX-YESZJQIVSA-N	380.485	2.203	0	1	GEAF	
O=C1O[C@H](c2ccccc2)C(=O)N1CCN1CCN(c2ccc(O)cc2)CC1	103208203	KETPUGGJDNEUHK-LJQANCHMSA-N	381.432	2.234	0	1	GEAF	
CN[C@H](C)C(=O)N[C@@H](C(=O)N[C@H](C)C(=O)Nc1cccc2ccccc12)C(C)C	61925527	JSZPIOJRNMIRQD-SPYBWZPUSA-N	398.507	2.032	0	3	GEAF	
NC(=O)c1ccc(Oc2ccc3c(c2)CCCN(CCN2CCOCC2)C3)nc1	28825048	IQIHFKQTDHIXJP-UHFFFAOYSA-N	396.491	2.053	0	1	GEAF	
O=C1NC[C@H](Cc2ccccc2)N(CC2CCN(CC3CCCC3)CC2)C1=O	61936183	VWOKGRFAMHIKEE-NRFANRHFSA-N	383.536	2.458	0	3	GEAF	
COCC(=O)N[C@@H]1[C@@H](c2cccs2)N(Cc2c(C)noc2C)CC[C@]1(C)O	2356639906	IJAGCDROCYJMBS-QRVBRYPASA-N	393.509	2.182	0	1	GEAF	
O=C1C=C[C@H](O)[C@@H]([C@H](O)[C@H](OC(=O)/C=C/c2ccccc2)c2ccccc2)O1	33831634	HCJURVKKVSCZRL-FVKHNCLHSA-N	380.396	2.188	0	1	GEAF	
COCCCOc1cc([C@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)ccc1OC	221693143	JLHLQWGXBDSHDU-MGPUTAFESA-N	392.496	2.151	0	1	GEAF	
Cc1sc2ncnc(SCC(=O)N3CCn4ncnc4C3)c2c1Cl	1911580611	XWIUXLQXOGSTLM-UHFFFAOYSA-N	380.886	2.379	0	1	GEAF	
Cc1nc(N2CC(c3nc4ccccc4n3CC#N)C2)cc(-n2nc(C)nc2C)n1	143130641	HNXWDDKSPXMVPQ-UHFFFAOYSA-N	399.462	2.460	0	1	GEAF	
CO[C@H]1CC[C@H](NC(=O)c2n[nH]cc2NC(=O)c2c(C)nc3ccccn23)CC1	299822357	QEHNJBXQNRKLAX-HDJSIYSDSA-N	396.451	2.306	0	1	GEAF	
COc1cc(-c2nc3ccc(S(N)(=O)=O)cc3[nH]2)nn1-c1ccccc1F	587156812	SAGVQFLXMVUCAJ-UHFFFAOYSA-N	387.396	2.211	0	1	GEAF	
COc1ccc2c(c1)[C@@H]([C@H](O)[C@@H](O)[C@H](C)O)N(Cc1ccc(F)cc1)CC2	963299938	BNOSDPKJQBIYDP-CUCDBKBVSA-N	375.440	2.036	0	1	GEAF	
O=C(NN1C(=O)[C@@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C1=O)c1ccc(Br)cc1	169354805	QRWZSMGXNJSJBA-PLJUSGQGSA-N	387.233	2.147	0	1	GEAF	
O=C(NN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C1=O)c1ccccc1Br	169355028	OLFJAAPWKAVFKS-WCLYBPTNSA-N	387.233	2.147	0	1	GEAF	
CCS(=O)(=O)c1ccc(-n2nc(C(N)=O)c3c2-c2cc(N)ccc2CC3)cc1	165859715	WWXUYCVFKISZHU-UHFFFAOYSA-N	396.472	2.113	0	1	GEAF	
COc1cc2nc(N3CCN(C(C)=O)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC	224608509	MTCUHQIMOONOQK-JKSUJKDBSA-N	385.468	2.209	0	1	GEAF	
NC(=O)NCCn1cc(C(=O)[C@@H]2CS[C@@H](c3cccnc3)N2)c2ccccc21	13737500	QPPWBCYFCAXEDY-LPHOPBHVSA-N	395.488	2.291	0	1	GEAF	
CCN1CCC[C@@H]1CN(Cc1cc(C)[nH]n1)CC1CCN(CCOC)CC1	22851476	ISFSVFORVVQWQG-OAQYLSRUSA-N	377.577	2.363	0	1	GEAF	
Nc1nc(N2CCN(C(=O)COc3ccc(F)cc3)CC2)c2ccsc2n1	45364691	FGXROYXQUTZSDL-UHFFFAOYSA-N	387.440	2.140	0	1	GEAF	
COc1ccc(CNc2nc(N3CCC[C@@H](C(N)=O)C3)ncc2C)cc1OC	82204321	RRDOUBMNTAYOJL-OAHLLOKOSA-N	385.468	2.116	0	1	GEAF	
CCCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@@H]1N2CC	95879380	IMUJFFTZMKIRHF-PBASOCQRSA-N	399.535	2.315	0	1	GEAF	
C/C=C(/C)C(=O)O[C@H](C1=C(C)[C@H](O)OC1=O)[C@@]1(C)[C@H]2CC[C@@H](O[C@@H]2OC)[C@@H]1C	257657040	YEMKZDPASIYASW-ZWPDCEROSA-N	394.464	2.480	0	1	GEAF	endogenous,in-man
N[C@@H](Cc1cccc(Br)c1)c1nc2cccc(S(N)(=O)=O)c2[nH]1	586983615	GDMWLPMMOXHVKV-NSHDSACASA-N	395.282	2.215	0	1	GEAF	
COCC(=O)Cc1nc2ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc2[nH]1	587563988	ZPPRSZMGNYSGBO-UHFFFAOYSA-N	389.433	2.130	0	1	GEAF	
COc1ccc([C@H]2Nn3c(C)nnc3S[C@H]2C(=O)NCc2ccco2)cc1	20068831	WKKWVMLEMQVVRR-HZPDHXFCSA-N	385.449	2.264	0	1	GEAF	
CN(C)C(=O)[C@@H]1Cc2ccccc2N1C(=O)CCN1CCc2ccccc2C1	84726384	FPLAAEYIEZOPQC-NRFANRHFSA-N	377.488	2.481	0	1	GEAF	
CC(C)=CCC/C(C)=C\Cn1cc(CC(P(=O)(O)O)P(=O)(O)O)nn1	95593377	QDXMBMMHDIWQDT-GHXNOFRVSA-N	393.317	2.195	0	1	GEAF	
CCCN1[C@@H]2Cn3c(cccc3=O)[C@H]1[C@@H](C(=O)N[C@H](C)c1ccccc1)[C@@H]2CO	95797038	ZESUQDBSRMXGBY-VCHDQXCVSA-N	395.503	2.099	0	1	GEAF	
Cc1c(NC(=O)COC(=O)[C@@H]2C[C@@H]3C=C[C@@H]2C3)c(=O)n(-c2ccccc2)n1C	135622473	QXORCEWNUQJSFW-BFYDXBDKSA-N	381.432	2.178	0	1	GEAF	
COc1cc([C@H]2[C@@H]3C[C@H](C[C@@]2(O)CC(=O)c2ccccc2)OC3=O)oc(=O)c1	139366964	BRWQQGQVOVWUIT-OGZLKCIRSA-N	384.384	2.072	0	1	GEAF	
C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cccc(Br)c2[nH]1	586938574	KMGBZZKIPAHTEZ-QMMMGPOBSA-N	384.259	2.098	0	1	GEAF	
O=C(O)CNc1ncc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1	587574555	XIWLSEPORITAQE-VQIMIIECSA-N	393.355	2.382	0	1	GEAF	
Cc1ccnc2c3c(nn12)CN([C@H]1CO[C@H](c2cc(F)ccc2F)[C@@H](N)C1)C3	653883167	SSWGKXPIZVHKDL-XVGQJIODSA-N	385.418	2.489	0	1	GEAF	
COC[C@]1(O)CC[C@@H]2C1=C[C@@]1(O)O[C@@H](CC3=C(C(C)C)C(=O)O[C@]31C)[C@@H]2C	2356326245	VORAYVCCQFEERK-WDQPNMQLSA-N	378.465	2.096	0	1	GEAF	
COC1CCN(C(=O)c2cc(COc3ccc(-n4cncn4)cc3)on2)CC1	12439531	JSHKRODDCNKZAJ-UHFFFAOYSA-N	383.408	2.085	0	3	GEAF	
CCOc1ccccc1C1=NO[C@H](c2ccccc2)[C@H]1C(=O)NCCOCCO	4152086	GYAFLLMIBNFNBW-PZJWPPBQSA-N	398.459	2.302	0	1	GEAF	
Cc1cn([C@H]2C=C[C@@H](CO[P@]3(=O)OCc4ccccc4O3)O2)c(=O)[nH]c1=O	6521125	NEUXRWCLDPVEMR-LGMFNTMXSA-N	392.304	2.033	0	1	GEAF	in-vivo
NC(=O)c1ccccc1NC(=O)CN1C(=O)S/C(=C/c2ccccc2O)C1=O	103274274	VBMLHGCNIIPFLE-OQLLNIDSSA-N	397.412	2.166	0	1	GEAF	
CCOC(=O)N1[C@H]2CC[C@@H]1C[C@@H](NCCNC(=O)c1ccc(F)c(F)c1)C2	101505633	CTNFAGQKYUQNFA-QKDCVEJESA-N	381.423	2.436	0	1	GEAF	
CCC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@]1(C(C)C)CC[C@@H](NC2CCOCC2)C1	66103009	AFMHXICRIXRSPP-GHDARCQNSA-N	391.556	2.172	0	1	GEAF	
CC=C(C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(O)C[C@@H]2CCC[C@H](C(=O)OC)[C@]21C	2356691738	VOOSWNHYYIUCGL-HQQJGAKOSA-N	392.448	2.426	0	1	GEAF	
COC(=O)[C@@H]1[C@H](O)CC[C@@H]2CN3CC[C@@H]4c5c(cccc5OC)N[C@@H]4[C@@H]3C[C@H]21	2356780424	WHOUHQRGRVIKFB-OXQIGPFESA-N	386.492	2.227	0	1	GEAF	
CCN1CC(C)(C)Oc2nc(N3CCOCC3)nc(-c3ccc(N)cc3)c2C1=O	225298630	JOAHHALQKYXYKC-UHFFFAOYSA-N	397.479	2.196	0	1	GEAF	
C/C=C1\CN2CC[C@@H]1[C@]1(C(=O)OC)C(=O)[C@@]3(C[C@H]21)c1ccccc1N[C@H]3OC	238740858	DNSZEXZABZEHOW-VGFHESDESA-N	382.460	2.105	0	1	GEAF	
CC(C)c1nc(C(=O)NC[C@H]2[C@@H]3CN(CC(C)(C)CO)C[C@H]23)c2ccccn12	653810883	LNKSFAKJANXYSA-OSYLJGHBSA-N	384.524	2.384	0	1	GEAF	
C[C@@]1(c2ccc(NC(=N)N)cc2)N[C@H](C(=O)O)Cc2c1cnc1ccccc21	963218135	CBGGUMVTLVYAFH-RXVVDRJESA-N	375.432	2.403	0	1	GEAF	
NC(=O)N1CCCc2cc(-c3cncc(COCC(=O)N4CCCC4)c3)cnc21	1772624598	YCGIAPOQOIECNA-UHFFFAOYSA-N	395.463	2.114	0	1	GEAF	
NS(=O)(=O)c1cc(C(=O)NCCO)c(SC2CCCCC2)cc1Cl	1857551444	PSEDAEWMXCWYRT-UHFFFAOYSA-N	392.930	2.134	0	1	GEAF	
Cc1ccc2c(c1)[C@H](Cc1ccc(C(=N)N)c(OCc3cccnc3)c1)OB2O	1857589532	DVGJSQUHDMDLCX-NRFANRHFSA-N	387.248	2.255	0	1	GEAF	
COc1cc2nc(NC[C@H](O)CO)nc(NCc3ccc(C)cc3)c2cc1OC	82130623	PVMHHMYXCSVLIA-HNNXBMFYSA-N	398.463	2.333	0	1	GEAF	
COc1cc2c(cc1OC)[S@](C)(=O)=NC(N1CCC(OC(C)=O)CC1)=N2	101805659	ITLGUTQUBIOWPD-SANMLTNESA-N	381.454	2.189	0	1	GEAF	
O=C(c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1)N1C[C@H]2CCO[C@H]2C1	146555891	DDROWFUGYPOEDL-CJNGLKHVSA-N	379.407	2.187	0	1	GEAF	
COCCCN1C(=O)C(=O)[C@H](C(=O)c2ccccc2)[C@H]1c1ccc(O)c(OC)c1	169687624	XUWYUDMXESFEHT-RBUKOAKNSA-N	397.427	2.389	0	1	GEAF	
OC[C@@H]1[C@H](O)[C@@H](O)[C@@H](O)c2nc(CCCc3ccc(-c4ccccc4)cc3)cn21	169697549	JYUBGYMPVKAJEH-CIAFKFPVSA-N	394.471	2.028	0	1	GEAF	
N#Cc1ccc(Oc2ccc(-c3cccc([C@H](O)[C@@H](O)C(N)=O)n3)cc2)cc1	205477531	PZSJUVFXYLWILL-VQTJNVASSA-N	375.384	2.292	0	1	GEAF	
O=C1COc2cc3[nH]c(CCS(=O)(=O)c4ccc5c(c4)CCC5)nc3cc2N1	586921550	CDALROUMMFXAAE-UHFFFAOYSA-N	397.456	2.399	0	1	GEAF	
CCCCS(=O)(=O)N[C@H](c1nc2c(S)nc(S)nc2[nH]1)C(C)C	586933234	NXUZEPKFVKROAG-QMMMGPOBSA-N	375.545	2.347	0	1	GEAF	
O=C(CCc1nc2cnc(Cl)[nH]c-2n1)Nc1nnc(-c2ccncc2)s1	587024105	OBAQGUYGNQLQBN-UHFFFAOYSA-N	386.828	2.443	0	1	GEAF	
O=C(O)c1ccc(-n2cc(-c3cccc(NCCN4CCOCC4)c3)nn2)cc1	1857552390	PYHJHYVSNWNCIG-UHFFFAOYSA-N	393.447	2.377	0	1	GEAF	
Cc1ccc(S(=O)(=O)NC(=O)C(=O)Nc2c3c(cc4c2CCC4)CCC3)cc1	1911571221	YJOYCVLDZYKBET-UHFFFAOYSA-N	398.484	2.416	0	1	GEAF	
CC=C(C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(O)C[C@@H]2CCC[C@H](C(=O)O)[C@]21C	2356411751	XZBCMOCFJJECSB-UUUGTUIASA-N	378.421	2.337	0	1	GEAF	
COC(=O)[C@H](C)[C@@H]1CC[C@](C)(O)[C@H](O)CCC(C)=CCC[C@@](C)(O)[C@@H](O)C1	2356687356	MSLVWANTCSFXCQ-ZPMOIGASSA-N	386.529	2.326	0	1	GEAF	
CCN(CC)S(=O)(=O)N1CCC(C(=O)N[C@H](C)CCc2ccccc2)CC1	4103876	VSWLWMVDNYHLAG-QGZVFWFLSA-N	395.569	2.423	0	3	GEAF	
COc1cc2c(cc1OC)[C@@]13CCN4C/C(=C/CO)[C@H](C[C@H]41)[C@H]1CCC(=O)N2[C@H]13	59587975	MTGBFCBIKBUQGV-WDMHUFBOSA-N	396.487	2.093	0	1	GEAF	biogenic,in-vitro
Cc1nc2nc(C)c(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)c(=O)n2[nH]1	103695858	HNFROXGAYQGPTG-UHFFFAOYSA-N	375.454	2.133	0	3	GEAF	
CNc1nc(C)c2cc(-c3ccc(OC)nc3)c(=O)n(C[C@@H]3CCOC3)c2n1	117778621	TVRCVLINZTZXLC-ZDUSSCGKSA-N	381.436	2.249	0	1	GEAF	
O=C(NC1CCCCC1)c1cn(CCN2CCOCC2)c2ccccc2c1=O	35050275	YGHUDZOBAIMRQZ-UHFFFAOYSA-N	383.492	2.396	0	1	GEAF	
CC(=O)Nc1ccc(NC(=O)CN2CCN(C)CC2)c(C(=O)c2ccccc2)c1	45375208	CYWSREBHQMASHL-UHFFFAOYSA-N	394.475	2.062	0	1	GEAF	
CCCCn1nnnc1[C@@H](c1ccccc1)N1CCN(c2ncccn2)CC1	95600475	UJYMBSRIRLHBSD-GOSISDBHSA-N	378.484	2.175	0	3	GEAF	
CC[C@]1(C)NC(=O)c2cc(S(=O)(=O)NC3CCCCC3)ccc2NC1=O	96269452	AJLIDRVNLOVCQU-SFHVURJKSA-N	379.482	2.148	0	1	GEAF	
COc1ccc(CN2C(=O)c3c(C)nc(-c4nc(C)no4)c(N)c3C2=O)cc1	653753975	FUFSQPHVCXVNRO-UHFFFAOYSA-N	379.376	2.135	0	1	GEAF	
O=C(Nc1ccccc1)O[C@@H]1CO[C@@H]2[C@H]1OC[C@H]2n1cc(-c2ccccn2)nn1	2356321300	FFFKGYKECKGKKA-YRXWBPOGSA-N	393.403	2.296	0	1	GEAF	
CC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1	3871696	CLDDOKCDXBMMKZ-LIRRHRJNSA-N	384.432	2.323	0	1	GEAF	in-vivo
O=C1CO[C@@H]2CN(Cc3ccc4c(c3)OCO4)C[C@@H]2N1Cc1ccc(F)cc1	2356286488	ZCTAURZHUGIXID-FXAWDEMLSA-N	384.407	2.166	0	1	GEAF	
CCN(CC)C[C@H]1CN2CC[C@H]1C[C@H]2CNS(=O)(=O)c1ccc(OC)cc1	2356298411	BNOHPXUQPWJENJ-BZSNNMDCSA-N	395.569	2.026	0	1	GEAF	
Cc1cnc(C)c(N2C[C@H]3CN(C(=O)c4ccccc4-c4ncn[nH]4)C[C@H]3C2)n1	116824705	GWHDYKVEWIHRHK-IYBDPMFKSA-N	389.463	2.087	0	1	GEAF	
CN1CN(C(=O)[C@@H]2CCN(c3ccc(Cl)c(C(F)(F)F)c3)C2)CC1=O	1911576077	IJTMEZNUWLCZCT-SNVBAGLBSA-N	375.778	2.443	0	1	GEAF	
O=C1CSC[C@@H](c2nc3c(I)cnc(Cl)c3[nH]2)N1	587042874	HZSGPVZLQRLVBE-YFKPBYRVSA-N	394.625	2.120	0	1	GEAF	
CC[C@H](C)n1ncc(I)c1-c1nc2c(O)ncnc2[nH]1	587181575	VVTLYCROJWBCQA-LURJTMIESA-N	384.181	2.498	0	1	GEAF	
CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3nc(Br)ccc3[nH]2)c1	586939075	MZLOTJYSXJTMLB-UHFFFAOYSA-N	384.259	2.402	0	1	GEAF	
COc1ccc2c(N3CCN(CC(=O)NCc4ccccn4)CC3)ccnc2c1	1772569980	AZZWEYMIHUODDZ-UHFFFAOYSA-N	391.475	2.077	0	1	GEAF	
O=C(N[C@@H](CO)CC1CCC1)c1cnc(N2CC(F)(F)C2)c(OCC2CC2)n1	207415737	DLCAJJUINMVOAT-CQSZACIVSA-N	396.438	2.002	0	1	GEAF	
O=C(CN1C(=O)CCS(=O)(=O)c2ccccc21)Nc1cccc(Cl)c1	4437755	KUJLDGNUMPVVFN-UHFFFAOYSA-N	378.837	2.489	0	3	GEAF	
CSc1c(N2CC[C@H](N)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12	27526177	QFYIOZQQIRYIFE-VIFPVBQESA-N	377.441	2.433	0	1	GEAF	
CCNC(=O)CCCNC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1	26748373	YYVPOIBILWMYMW-KRWDZBQOSA-N	377.485	2.360	0	1	GEAF	
COc1ccc(Nc2ncc(C3=CCNCC3)cc2-c2nc(C)nc(N)n2)cn1	113238156	YJHLXSFWEBZYCD-UHFFFAOYSA-N	390.451	2.348	0	1	GEAF	
O=C(C=Cc1ccccc1)O[C@H](c1ccccc1)[C@H](O)[C@@H]1OC(=O)C=C[C@@H]1O	2356573258	HCJURVKKVSCZRL-GUGJDKNPSA-N	380.396	2.188	0	1	GEAF	
CC[C@@H]1[C@@H]2OC(=O)[C@](C)(O)[C@@H]2[C@@H]2CCCN3[C@H]([C@@H]4C[C@H](C)C(=O)O4)CC[C@@H]3[C@@H]12	2356698813	PMKAPBDTZVDGSB-HVXNJVLESA-N	391.508	2.130	0	1	GEAF	
C[C@@H]1C=C[C@]2(C)CCCC[C@]2(C)[C@@H]1C(=O)[C@@H]1C(=O)N2CC[C@@H]3C(=O)O[C@H]1[C@@]32O	2356730303	WOAILDKFDXKSIY-LWRAAOGGSA-N	387.476	2.057	0	1	GEAF	
O=C(O)C[C@@H]1CCN(C(=O)c2ccnc(Cl)c2)C[C@@H]1CCN1CCOCC1	12481227	OOAMPGQAOKAGBN-HOCLYGCPSA-N	395.887	2.010	0	1	GEAF	biogenic
COC(=O)[C@H]1C[C@@H](O)C[C@H]2[C@H]1C(=O)C[C@H]1C(=O)O[C@@H](c3ccoc3)C[C@@]21C	85695069	LPHWMSVPEOJPHG-VCCSZGLTSA-N	376.405	2.039	0	1	GEAF	in-man
C=CCNC(=O)O[C@@H]1CO[C@@H]2[C@@H](Nc3nccc(-c4ccccc4)n3)CO[C@@H]12	25429245	DMJKIAUFXDBHAQ-MLHJIOFPSA-N	382.420	2.003	0	1	GEAF	biogenic
CS(=O)(=O)Nc1cccc2c(O)cc(C(=O)Nc3ccc(F)cc3O)nc12	95587101	LWEUDOYFPCTEOV-UHFFFAOYSA-N	391.380	2.409	0	1	GEAF	
Cc1ccc(C[C@H](NC(=O)[C@@H]2NC(=O)[C@@H]3CCCC[C@H]3N2)c2ccccn2)cc1	618014914	BZMMMPVKLKPHDA-QCFAMHMHSA-N	392.503	2.394	0	1	GEAF	
N[C@H](N=O)c1ccc2nc(CNS(=O)(=O)c3ccc(F)c(F)c3F)[nH]c2c1	587134041	IUANPPZJNGMSLJ-OAHLLOKOSA-N	399.354	2.182	0	1	GEAF	
COC(=O)[C@H]1N(C(=O)OC(C)(C)C)CC[C@@]12CC(=O)c1cc(C)cc(N)c1O2	587397324	ZTRKZEAVINCCJO-OXQOHEQNSA-N	390.436	2.464	0	1	GEAF	
CS(=O)(=O)N1CCc2c(ccc(-c3nc4cc(Cl)ncc4[nH]3)c2N)C1	586955740	VAWKONOITZNUAD-UHFFFAOYSA-N	377.857	2.178	0	1	GEAF	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)Nc2cc(N3CCOCC3)ccc21	587400517	QKIJGWIIOZXWIC-NRFANRHFSA-N	379.416	2.227	0	1	GEAF	
CS(=O)(=O)c1ccc(C(=O)CCc2nc3cc4c(cc3[nH]2)OCC(=O)N4)cc1	586924938	CTRXNMXPPGVPGO-UHFFFAOYSA-N	399.428	2.113	0	1	GEAF	
O=C(O)COc1ccc(Br)cc1-c1ccc2c(O)nc(O)nc2n1	587365067	APAITOHTBHFKJS-UHFFFAOYSA-N	392.165	2.329	0	1	GEAF	
NS(=O)(=O)c1cccc(-c2ccc([C@H]3NCCc4nc5ccccn5c43)o2)c1	962987123	UPLGTOWNLSFPEK-LJQANCHMSA-N	394.456	2.477	0	1	GEAF	
COc1ccc(/C=C/C(=O)NCCCC[C@@H](N)C(=O)O)cc1Br	169352651	DAWHVQABSAAHDG-STMXVASLSA-N	385.258	2.169	0	1	GEAF	
O=C(NCc1cccs1)[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3)C[C@@]23C=C[C@H]1O3	201453048	PFPSQZVMULVZSN-IIMDRIAPSA-N	380.469	2.347	0	3	GEAF	
Cc1c(-c2cccc(OC(F)(F)F)c2)[nH]c2c(=O)n(CCCO)c(=O)n(C)c12	1857534618	KKSJHWFRIAXECD-UHFFFAOYSA-N	397.353	2.285	0	1	GEAF	
COc1ccccc1-c1onc(-c2ccccc2F)c1C(=O)NC[C@H](O)CO	775460	UNWPLECSOTUKPA-LBPRGKRZSA-N	386.379	2.239	0	1	GEAF	
COCCCN1C(=O)C(=O)[C@@H](C(=O)c2ccc(OC)cc2C)[C@H]1c1cccnc1	1832821	RMYVJGNGCVWDLO-RTBURBONSA-N	396.443	2.387	0	1	GEAF	
CCc1nc2ccc(C(=O)N(CC)CCN(C)C)cn2c1N(CC)CCOC	61905735	FSHLNBCROVPGIU-UHFFFAOYSA-N	389.544	2.393	0	3	GEAF	
O=C(O)CCCOc1cccc(CNC(=O)c2nc3ccccc3c(=O)[nH]2)c1	114402101	FGBGICACEWJGMP-UHFFFAOYSA-N	381.388	2.097	0	1	GEAF	
C1=CC(c2noc([C@@H]3CCCN3Cc3cccnc3)n2)=C[C](N2CCOCC2)N1	2356873970	GLJAWYATTLABCP-SFHVURJKSA-N	393.471	2.124	0	1	GEAF	
CN(Cc1nc2cccc(C(=O)NCCN)c2[nH]1)[C@H]1CCCc2cccnc21	34600782	DWASOSKRUBULNA-KRWDZBQOSA-N	378.480	2.156	0	1	GEAF	
CC(C)(Cc1ccc(C(F)(F)F)cc1)C(=O)NC[C@@]1(C2CC2)NC(=O)NC1=O	219544799	FJEJHTFPLBTMLO-SFHVURJKSA-N	397.397	2.379	0	1	GEAF	
CN(C)C(=O)OC[C@H]1c2c[nH]nc2CCN1S(=O)(=O)c1ccc(Cl)cc1	49112388	PXZHQXQGCCNTBI-HNNXBMFYSA-N	398.872	2.049	0	1	GEAF	
COc1cc([C@H]2Oc3cc(OC)c(OC)c(OC)c3C(=O)[C@@H]2O)ccc1O	40934961	CQRIKUIFJDIPKE-DLBZAZTESA-N	376.361	2.104	0	1	GEAF	
COC1=C[C@]23CCN(C)[C@H](CCc4cc(OC)c(OC)c(OC)c42)C3=C[C@@H]1O	238772423	OGIGDLIVQWNQJG-VVBPWWLESA-N	387.476	2.432	0	1	GEAF	
C[C@H](C(=O)N1CCN(c2cccc(Cl)c2)CC1)N1C(=O)CC(C)(C)C1=O	653782726	HURNTMVFWQRKKH-CYBMUJFWSA-N	377.872	2.162	0	1	GEAF	
CC(=O)[C@@H]1C(=O)N2CCCc3cccc(c32)[C@]12c1ccsc1CCN2C(N)=O	962700474	JQKDQHJTVJPMJF-DYESRHJHSA-N	395.484	2.427	0	1	GEAF	
COc1ccc2c(c1OC)[C@@](CS(=O)(=O)N(C)C)(C(C)C)N(C)[C@@H](C)C2	962628648	MNRIENAUONWLSN-IFXJQAMLSA-N	384.542	2.323	0	1	GEAF	
COc1ccc2c(c1)[C@]13CCN(CC4CC4)C[C@]1(CC[C@]1(C3)NC(=O)NC1=O)C2	1772629925	OWQCCLBKHGKZEW-YTFSRNRJSA-N	395.503	2.353	0	1	GEAF	
CO[C@@H]1C[C@@]2(OC)O[C@@]1(C)C[C@H](OC(=O)C(C)C)[C@@H]1CC(=O)O[C@@H]1C=C2C	2356288095	WDVVORIJANIPCL-KELMGZHZSA-N	382.453	2.373	0	1	GEAF	
C[C@@H]1CN(CCn2cnnn2)CC[C@@H]1N(C(=O)c1ccco1)c1ccccc1	26730039	FRHGRTAWAXPTEX-AEFFLSMTSA-N	380.452	2.324	0	1	GEAF	
CCOC(=O)C[C@H]1C[C@@H](n2cc(-c3ccc(O)cc3)c3c(N)ncnc32)CN1	27986020	SFUOPNLOTSTSRR-ZIAGYGMSSA-N	381.436	2.242	0	1	GEAF	
CC1(C)CC(=O)c2c(O)cc(OCC(=O)N[C@@H](CO)Cc3ccccc3)cc2O1	2356564779	CEWOCTNBPNAJRZ-OAHLLOKOSA-N	399.443	2.235	0	1	GEAF	
CC(=O)O[C@@H](C)Cn1cnc2c(Cl)nc(I)nc21	28635925	RDRHNTZLYUANOF-YFKPBYRVSA-N	380.573	2.036	0	1	GEAF	
COC(=O)C1=C[C@H](O)C[C@@H]2[C@]1(C)C=C[C@]1(O)C(=O)O[C@H](c3ccoc3)C[C@@]21C	2356868993	XGVUXZKWEOGMNA-HGYMRXHGSA-N	388.416	2.061	0	1	GEAF	
COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N([C@H](C)C(=O)NC(C)C)C(=O)[C@@]31C	15955422	GYMAJSAYPQXSNN-XUSGNXJCSA-N	398.463	2.125	0	1	GEAF	biogenic
Cc1ccc(-c2nc(C(=O)N[C@H](COCc3ccccc3)C(N)=O)co2)cc1	82074405	DOLFPIVZNHCLSK-QGZVFWFLSA-N	379.416	2.451	0	1	GEAF	
CCCNC(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2CC2CCCCC2)O1	95886485	LQDIADHJFKFRSI-YSTOQKLRSA-N	382.545	2.092	0	1	GEAF	
CC(C)C(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)O)O[C@@H]1CO2	95891907	JZXHOMCODGESNA-YSVLISHTSA-N	390.436	2.136	0	1	GEAF	
Cc1cccc(CN2CCN([C@H]3CN(Cc4ccccc4)S(=O)(=O)C3)CC2)c1	95599826	FKQXGOYENCPCNI-QFIPXVFZSA-N	399.560	2.327	0	3	GEAF	
O=C1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CCc2ccccc2)[C@H]1O5	95753005	NDHIGBQXQCVRAU-QLBRKBSLSA-N	391.467	2.358	0	1	GEAF	
COC(=O)Cn1cc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)nn1	587755887	BHGQMYXFAPFJOU-JDNHERCYSA-N	397.248	2.150	0	1	GEAF	
CC(=O)N[C@H](Cc1nc2c(O)ncnc2[nH]1)c1ccc(Br)cc1	586986461	XTEMYUMPYYADGC-LLVKDONJSA-N	376.214	2.241	0	1	GEAF	
C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2ccnc(Br)c2[nH]1	586959674	STKRADKRTVRKAB-AWEZNQCLSA-N	397.254	2.189	0	1	GEAF	
O=C(O)[C@@H]1NC[C@@H]2C[C@]3(C[C@H]21)Oc1ccccc1C(=O)[C@@H]3C(=O)c1ccco1	587597540	UXQLFSMHPQUKFF-BQCPMWKOSA-N	381.384	2.175	0	1	GEAF	
NS(=O)(=O)c1ccc2nc(-c3cc(Br)cc(C=O)c3)[nH]c2c1	586983165	WQVNVYFYONTAKA-UHFFFAOYSA-N	380.223	2.452	0	1	GEAF	
Cc1c2c(nn1C)[C@@](c1ccc(C3OCCO3)s1)(C(C)C)N[C@@H](C(=O)O)C2	962706086	GZUVVTLMMIBWSV-YJYMSZOUSA-N	391.493	2.334	0	1	GEAF	
CN1CCC[C@@H]1CCNC(=O)CCCOc1ccc2nc3[nH]c(=O)[nH]c3cc2c1	13725950	IQAKHLNLQACVKB-OAHLLOKOSA-N	397.479	2.164	0	1	GEAF	
Cc1ncccc1OC[C@@H]1CN(CC(=O)N2c3ccccc3C[C@H]2C)CCO1	207656816	COXVGVOSFMXIOC-APWZRJJASA-N	381.476	2.447	0	1	GEAF	
CCC1CCN(C(=O)C2CCN(c3cc(N4CCOCC4)ncn3)CC2)CC1	1857608675	NAABAQAWNBRWLP-UHFFFAOYSA-N	387.528	2.178	0	1	GEAF	
C[C@@H](O)c1onc(-c2ccccc2)c1C(=O)N1CCN(c2ncccn2)CC1	2356290218	MBDQFQRHNIXCLT-CQSZACIVSA-N	379.420	2.147	0	1	GEAF	
CNCCn1cc(S(=O)(=O)c2c(Cl)nc3sccn23)c2cccnc21	3927115	CTYXKOVPFGUJOK-UHFFFAOYSA-N	395.897	2.451	0	1	GEAF	
N[C@@H](CCc1ccccc1)[P@](=O)(O)C[C@@H](NCc1ccccc1)C(=O)O	28652416	TUZAXYBXMIKEII-QZTJIDSGSA-N	376.393	2.417	0	1	GEAF	
CC(=O)O[C@]1(C)CC[C@H](C(C)C)[C@@H]2[C@H]3O[C@@H](C[C@](C)(O)[C@H](O)CC[C@]3(C)O)[C@@H]21	2356383391	LGVNICNVBLDNFV-SAFIEXBJSA-N	398.540	2.421	0	1	GEAF	
COC(=O)C1=C2Nc3cc(OC)c(O)cc3[C@]23CCN2CC[C@@H]4OCC[C@@]4(C1)[C@H]23	2356577668	LZVMXRSCSWSPDH-AGOPTVSRSA-N	398.459	2.148	0	1	GEAF	
Cc1ccsc1C(=O)N1CC[C@@]1(C)C(=O)NS(=O)(=O)c1ccccc1	61897292	WNFWLZDHUIPUNW-KRWDZBQOSA-N	378.475	2.166	0	3	GEAF	
NCCC[C@@H](N)C(=O)N[C@H](C(=O)Nc1ccc2ccccc2c1)c1ccco1	73224384	QVXQAPGOJCQSAG-MJGOQNOKSA-N	380.448	2.295	0	1	GEAF	
COc1ccc([C@@H]2Oc3cc(OC)c(O)c(OC)c3C(=O)[C@@H]2O)cc1OC	40876373	BWUKZMPNPJTOIT-ROUUACIJSA-N	376.361	2.104	0	1	GEAF	
Cc1cc(OCC(=O)O)c(C)c2c1CC[C@@H]([C@@H](C)C(=O)N1CCOCC1)C2	25206834	VFMGMPWZEVOXRA-GDBMZVCRSA-N	375.465	2.367	0	1	GEAF	biogenic
N[C@H](C(=O)N1CCCC1)[C@H]1CC[C@H](NC(=O)c2cncc3ccccc23)CC1	261193280	ZYVUFELPRWRHOR-KNBMTAEXSA-N	380.492	2.473	0	1	GEAF	
C[C@@H]1N[C@H](c2ccccn2)NC(=O)[C@@H]1CC(=O)N(C)[C@@H]1CCc2ccccc21	618014046	MCLLQUCQEQWJIN-IBRSFNOQSA-N	378.476	2.340	0	1	GEAF	
COc1ccc(C(=O)NCCS(=O)(=O)c2ccc(C(F)(F)F)cn2)cc1	653792953	GTIZNWFICCGJBM-UHFFFAOYSA-N	388.367	2.313	0	1	GEAF	
COc1cc(OC)c2[nH]c([C@](C)(N)c3ccc(S(=O)(=O)O)cc3)nc2c1	586957852	DMDJHYYHHGUIAX-QGZVFWFLSA-N	377.422	2.049	0	1	GEAF	
CN(Cc1nc2cc3c(cc2[nH]1)NC(=O)CC3)S(=O)(=O)c1ccc(F)cc1	587169719	IPOARHSCBQIYHJ-UHFFFAOYSA-N	388.424	2.407	0	1	GEAF	
COc1ccc(OC)c2c1C[C@H](C)N[C@@H]2c1cccc(OCc2nnnn2C)c1	963607678	JXJUQHSMXLDHOG-YEJXKQKISA-N	395.463	2.430	0	1	GEAF	
Nc1cccc(Cn2cc(CCCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)nn2)c1	1772578854	CTUXWSMFVOMIET-BZSNNMDCSA-N	386.525	2.177	0	1	GEAF	
CCOC(=O)[C@H]1C(COC(=O)c2ccc3ccccc3c2O)=NC(=O)N[C@H]1C	169691905	AERNAALFHASSPO-MEDUHNTESA-N	384.388	2.434	0	1	GEAF	
CC[C@H](Nc1ncnc(N)c1C#N)c1nn2cccc2c(=O)n1-c1ccccc1	205592050	YEAQFJHFUKZGSD-HNNXBMFYSA-N	386.419	2.292	0	1	GEAF	
COCCCN1C(=O)C(=O)[C@H](C(=O)c2ccc(OC)cc2C)[C@@H]1c1cccnc1	1832823	RMYVJGNGCVWDLO-OALUTQOASA-N	396.443	2.387	0	1	GEAF	
C[C@H](CC(=O)NC1CCCCC1)S(=O)(=O)c1ccc2c(c1)NC(=O)CO2	6930553	LAIJVNDXJTYGRF-GFCCVEGCSA-N	380.466	2.019	0	3	GEAF	
O=C(NCc1ccco1)c1ccc(CNc2c(N3CCCCC3)c(=O)c2=O)cc1	100997999	JCUYLMUAKDKCAT-UHFFFAOYSA-N	393.443	2.408	0	3	GEAF	
CO[C@@H]1C[C@@]2(OC)O[C@@]1(C)C[C@H](OC(=O)C(C)C)[C@H]1CC(=O)O[C@H]1C=C2C	2356288094	WDVVORIJANIPCL-DEGRCIOYSA-N	382.453	2.373	0	1	GEAF	
Nc1cc(O)c(C(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)cc1Cl	29211071	BDQIKOAVLOGSSK-AWEZNQCLSA-N	375.856	2.259	0	1	GEAF	
COC(=O)[C@H](C(C)C)N(Cc1ccccc1)S(=O)(=O)CCN1CCCC1	61944728	FZRWJZRXYYIZAS-SFHVURJKSA-N	382.526	2.112	0	3	GEAF	
NCC(=O)Oc1ccc(Oc2ccc(S(=O)(=O)C[C@H]3CS3)cc2)cc1	72123485	LQNHEABUVSMNCK-OAHLLOKOSA-N	379.459	2.232	0	1	GEAF	
Cc1ccc(C(=O)N[C@@H]2CO[C@@H]3[C@@H](OC(=O)NC4CCCCC4)CO[C@@H]32)cc1	36356682	SIUGXYOYJVIPQF-FCGDIQPGSA-N	388.464	2.319	0	1	GEAF	biogenic
CCOC(=O)[C@@H]1CNCC[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12	587797401	SHLBVJAFDPHDIX-QAGHZCBJSA-N	385.277	2.490	0	1	GEAF	
CCS(=O)(=O)c1cccc(Cc2nc3ccc(S(C)(=O)=O)cc3[nH]2)c1	586922110	QUOZAPCYHLCBEU-UHFFFAOYSA-N	378.475	2.351	0	1	GEAF	
Cc1cccc2nc(Cn3cnc4c(N)ncnc43)n(-c3ccccc3)c(=O)c12	1772634581	KADZMZDAUYWFBW-UHFFFAOYSA-N	383.415	2.464	0	1	GEAF	
N=C(N)NCCC(=O)Nc1cccc(S[C@@H](CC(=O)O)c2cccnc2)c1	13589298	POFWLRJEVCMUNG-HNNXBMFYSA-N	387.465	2.201	0	1	GEAF	
O=c1[nH]c2ccccc2c(=O)n1CCN1CCC([C@H](O)c2ccccc2)CC1	13731468	GGHSWCJJSMUMDL-HXUWFJFHSA-N	379.460	2.135	0	1	GEAF	
Cn1cc(-c2cc3c(-c4cccc(N5C[C@H](N)C[C@@H](F)C5)n4)n[nH]c3cn2)cn1	205256240	WYNXSGCLOVESGX-ZIAGYGMSSA-N	392.442	2.296	0	1	GEAF	
CC(=O)c1ccc(S(=O)(=O)N2C(=O)NC(=O)[C@@]23CCCc2ccccc23)cc1	1857592438	JAVDYLNBJZIQBH-FQEVSTJZSA-N	398.440	2.362	0	1	GEAF	
O=S1(=O)NCCCNc2nc(ncc2Br)Nc2cccc1c2	3942821	AWSQADBSXFTFKL-UHFFFAOYSA-N	384.259	2.077	0	1	GEAF	in-vivo
CSc1c(F)c(N2CC[C@@H](N)C2)cc2c1c(=O)c(C(=O)O)cn2C1CC1	27526633	MBHVXNBTFPKQRO-SECBINFHSA-N	377.441	2.433	0	1	GEAF	
CC[C@@H]1C(O)=C2CC[C@@]3(C)C[C@H](C)[C@@H](O3)[C@@H](O)C[C@@H](CO)C(=O)C[C@H]1OC2=O	2356599221	RFAFYLCMVLAPHK-FPJVKFISSA-N	396.480	2.046	0	1	GEAF	
COC1=Cc2cc(OC)c(OC)cc2[C]2C1=c1ccc(OC)c(OC)c1=CN2C	2356844117	KCKUCFZIDJUGSW-UHFFFAOYSA-N	394.447	2.136	0	1	GEAF	
CCc1nc(C(=O)N[C@H](Cc2ccccc2)C(=O)OCCN(C)C)cs1	82069247	CMGQKNISFNAQQF-OAHLLOKOSA-N	375.494	2.151	0	1	GEAF	
COC(=O)C1=C[C@H]2C[C@@H]3N(CC[C@@]34C(=O)Nc3ccc(OC)cc34)C[C@H]2[C@H](C)O1	85841501	FYRNJIBDCMZCTP-MARIUIOHSA-N	398.459	2.071	0	1	GEAF	
CC[C@H]1Cn2c(c(NCc3ccc(C(=O)OC)cc3)c(=O)n(C(C)C)c2=O)N1	82207928	DSZSQCPXJBSQBA-HNNXBMFYSA-N	386.452	2.194	0	1	GEAF	
C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(C)=O)C23CN(C(=O)c2ccncc2)C3)cc1	95794652	NCFKBXJLNZSNQV-IEOLRMJASA-N	391.471	2.316	0	1	GEAF	
O=C(C1CC1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4ccccc4F)cc3)[C@@H]2C1	95797494	QETWDIOFYADYNM-TUNNFDKTSA-N	394.446	2.400	0	1	GEAF	
CCCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@H]2N1CC	95879687	UMPWYUPDGANVQN-RMVXJAJNSA-N	395.503	2.025	0	1	GEAF	
O=C(Nc1ccccc1F)N[C@H]1CC[C@H](CCNC(=O)C2CCC2)O[C@H]1CO	95903909	SNFIVQMNSFUFJY-JLSDUUJJSA-N	393.459	2.162	0	1	GEAF	
CCCCCCN1CCS(=O)(=O)N(Cc2ccccc2)[C@@H](C(=O)OC)C1	263590548	UCLZCAFWSVJXMS-GOSISDBHSA-N	382.526	2.256	0	3	GEAF	
COC(=O)c1[nH]c2ccc(S(C)(=O)=O)cc2c1N1C(=O)c2ccccc2C1=O	587651394	SCRADDVFSPSCNH-UHFFFAOYSA-N	398.396	2.159	0	1	GEAF	
NS(=O)(=O)c1cccc2nc([C@H](O)c3ccc(Br)cc3)[nH]c12	586996501	VIUUIYIEMHVWGN-CYBMUJFWSA-N	382.239	2.055	0	1	GEAF	
C[C@H](CN1CCN(c2ncccn2)CC1)NC(=O)C12CC3CC(CC(C3)C1)C2	13802799	VZUHPBSTYDQEJX-GSQFEDNKSA-N	383.540	2.320	0	1	GEAF	
O=c1c2cc(NS(=O)(=O)c3ccc4ccccc4c3)ccc2nc(O)n1O	1857552990	FZTXCIKDFJNCBZ-UHFFFAOYSA-N	383.385	2.293	0	1	GEAF	
COc1ccc(NC(=O)CCCN2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)c(OC)c1	3958681	VBIGSIOZBVFIGC-QXUMQBBKSA-N	384.432	2.230	0	1	GEAF	
C[C@]1(c2cccc(NC(=O)c3ncc(Br)cn3)c2)COCC(N)=N1	113657357	SDRFKEHYIFLRFI-MRXNPFEDSA-N	390.241	2.094	0	1	GEAF	
COP(=O)(C/C=C/Cn1cc(C)c(=O)n(C(=O)c2ccccc2)c1=O)OC	66102815	NOKRJMPYAAYSMC-BQYQJAHWSA-N	392.348	2.049	0	1	GEAF	
COc1cc(O)cc([C@@H]2O[C@H](c3ccc(O)c(OC)c3)[C@@H](CO)[C@H]2CO)c1	2356506321	JUDXJGZHVSKZFH-FIYPYCPBSA-N	376.405	2.145	0	1	GEAF	
CC[C@@H]1[C@@H]2CCCCN3[C@H]([C@@H]4C[C@H](C)C(=O)O4)CC(=O)[C@]4([C@H](C)C(=O)O[C@@H]14)[C@@H]23	2356814046	BXBKJAZWAYNGDP-ICKXPGGVSA-N	389.492	2.338	0	1	GEAF	
O=C(C[C@@H]1CC[C@@H](NC(=O)C2CCC2)[C@H](CO)O1)NCc1ccccc1Cl	95905105	DLKBRBFAHGAPTH-JQHSSLGASA-N	394.899	2.171	0	1	GEAF	
COc1cc2c3c(c1)O[C@](c1ccccc1)([C@@H](O)SCC(=O)O)[C@@H](C2)C3=O	587448917	NDHXCABFWMKEPJ-GKCIPKSASA-N	386.425	2.474	0	1	GEAF	
CC[C@@H](N[C@H](C)CC(N)=O)c1ccc(OC)c(C(=O)c2ccc(N)nc2)c1F	1772645080	FNGJJGZCGUYJBD-BXUZGUMPSA-N	388.443	2.347	0	1	GEAF	
O=P(O)(O)C(O)(Cc1cccc(-c2ccc(F)cc2)c1)P(=O)(O)O	13673768	KDXGHHCIJCCJKD-UHFFFAOYSA-N	376.213	2.037	0	1	GEAF	
O=c1nc(CN2CC(c3ccc(F)cc3)C2)[nH]n2c(C3CCOCC3)ncc12	205438689	DSBCTHCYWMGWAX-UHFFFAOYSA-N	383.427	2.050	0	1	GEAF	
O=C(C=Cc1ccccc1)O[C@@H]1[C@@H]2OC(=O)C[C@@H]2O[C@@H]1[C@@H](O)c1ccccc1	2356390518	FHGDRFDHIZAQKE-WVCANSMHSA-N	380.396	2.428	0	1	GEAF	
Cc1c(N2CC[C@@H](n3ccnn3)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12	6520930	KXWMIWIQDISMNO-CYBMUJFWSA-N	397.410	2.366	0	1	GEAF	
COCC(=O)N[C@@H]1[C@@H](c2cccs2)N(C(=O)CC(C)(C)C)CC[C@]1(C)O	2356288329	ATWUVRKQIVDTGS-LMMKCTJWSA-N	382.526	2.340	0	1	GEAF	
COc1ccc2cc([C@H](C)C(=O)OC[C@@H](CO[N+](=O)[O-])O[N+](=O)[O-])ccc2c1	113332099	DHMLCNFGWGUOSW-ZBEGNZNMSA-N	394.336	2.280	0	1	GEAF	investigational
O=S(=O)(NC[C@H]1C[C@H]2CCN1C[C@H]2CN1CCCCC1)c1ccccc1	2356298722	XDALEZVUDDMMRZ-GUDVDZBRSA-N	377.554	2.161	0	1	GEAF	
COC(=O)[C@]1(c2ccc(Cl)cc2)C[C@H]1CN1CCN(c2ncccn2)CC1	28604353	JSJZBMMECIILOT-JXFKEZNVSA-N	386.883	2.383	0	1	GEAF	
COc1cc([C@@H]2C3=C(COC3=O)Nc3ccc4n[nH]nc4c32)cc(OC)c1OC	71318029	ONKWMOKPWJBFAP-HNNXBMFYSA-N	394.387	2.352	0	1	GEAF	
CC[C@H]1CN[C@H](C)CN1CC(=O)N1CC(C)(C)c2cnc(Cn3cccn3)cc21	219016825	PKNQQBIEUREYIR-AEFFLSMTSA-N	396.539	2.023	0	1	GEAF	
CCCCC[C@H](CC)SC[C@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O	48998188	WXUYKABDZUOGQM-OZIGCIBSSA-N	395.529	2.120	0	1	GEAF	
O=C1C=C[C@H](O)[C@H]([C@H](O)[C@@H](OC(=O)/C=C\c2ccccc2)c2ccccc2)O1	85508453	HCJURVKKVSCZRL-DUQTVKSUSA-N	380.396	2.188	0	1	GEAF	biogenic,in-vitro
COC[C@H](C)Oc1ccc2[nH]nc(-c3cc(N4CC[C@@H](CO)C4)ncn3)c2c1	225560152	CDUJVRHCULMZPI-UONOGXRCSA-N	383.452	2.252	0	1	GEAF	
C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(OC)cc3)c3c(N)ncnc32)C1	95575640	KFTSORBGYVVIBF-CQSZACIVSA-N	378.436	2.434	0	1	GEAF	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CCN1CCOCC1	587869648	LXFUILWRPHTXNO-UHFFFAOYSA-N	384.358	2.335	0	1	GEAF	
C[C@](O)(C(=O)Nc1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O)C(F)(F)F	13760228	UXNTZMHQFAEHNR-INIZCTEOSA-N	399.346	2.316	0	1	GEAF	
CCOC(=O)[C@@H]1Cc2cn(cn2)CC=CCOc2ccc(Cl)c(c2)C(=O)N1	1857742709	HVNJFKHWGJHMOH-KRWDZBQOSA-N	389.839	2.389	0	1	GEAF	
COc1ccc(-c2nc3cnc(N(C)C)nc3n(C[C@H]3CCCO3)c2=O)cc1	4238950	YRNLOFIGTMXABN-OAHLLOKOSA-N	381.436	2.107	0	1	GEAF	
Cc1ccccc1-n1c(SCC(=O)n2nc(N)cc2C)nc2nncc-2c1O	103976312	WBBXLZQKRVYJCX-UHFFFAOYSA-N	395.448	2.301	0	1	GEAF	
CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1coc(C)n1)C(N)=O	64527362	CVJTZEAKXFGAEL-NUTKFTJISA-N	392.500	2.068	0	1	GEAF	
Cn1cc(-c2cnn3c(Nc4nncs4)cc([C@H]4CCCNC4)nc23)cn1	66101695	UZQLUCAWINOHJN-NSHDSACASA-N	381.469	2.192	0	1	GEAF	
CC=C1[C@H]2C[C@H]3C4=Nc5ccc(OC)cc5[C@@]45C[C@@H]([C@@H]2[C@@H]5OC(C)=O)N3[C@H]1O	2356681726	DCLQJGLKBIQNJC-VGEOMELGSA-N	380.444	2.322	0	1	GEAF	
COc1cc(C[C@@H]2C(=O)OC[C@H]2[C@@H](O)c2ccc(OC)c(OC)c2)ccc1O	14646823	YDYHLKYAFOTIKL-MDOVXXIYSA-N	388.416	2.483	0	1	GEAF	biogenic
Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CC4CC3C4)n2)cc1Cl	221257494	CIUCIJOSJULOMF-FFKWVLBGSA-N	384.871	2.350	0	1	GEAF	
CN1CCN(Cc2nc3c(oc4ccc(Br)cc43)c(=O)[nH]2)CC1	84708263	OOINHKLROPYETD-UHFFFAOYSA-N	377.242	2.179	0	1	GEAF	in-vitro
Cc1ccc(C(=O)Nc2ccc3c(c2)[C@]2(CC(C)(C)O3)N=C(N)N(C)C2=O)o1	95604413	YSKSBTBSQASAMG-FQEVSTJZSA-N	382.420	2.383	0	1	GEAF	
O=C(Nc1cccc(F)c1)c1cnc(S)nc1-n1c(O)cc(C(=O)O)c1O	587945928	PCJJTAIOPQJYFW-UHFFFAOYSA-N	390.352	2.057	0	1	GEAF	
CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1	587203160	IVAFRGXAQORNNH-SFHVURJKSA-N	394.479	2.473	0	1	GEAF	
COC(=O)C(=O)C[C@]1(c2ccnn2C)CC(=O)c2ccc3c(c2O1)CCCC3	587517087	GRCOEXUGUPDQRB-NRFANRHFSA-N	382.416	2.292	0	1	GEAF	
C[C@H](c1nc(O)c2cnn(C3CCOCC3)c2n1)N1CC(c2cccnc2)C1	1772638319	JSLVZYPNFZWWKI-CYBMUJFWSA-N	380.452	2.439	0	1	GEAF	
COC(=O)[C@@H]1C[C@H](O)[C@H](O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C	13607528	KLGGDJQYLQYXCH-JELYZVLYSA-N	392.448	2.221	0	1	GEAF	
COCCNC(=O)[C@H]1C[C@@H]2Cn3c(nc4cc(Cl)c(Cl)cc43)[C@@H]2N1C	13660681	JYYMTFLJOYYNFB-DFKRKDTASA-N	383.279	2.481	0	1	GEAF	
C[C@@H]1C[C@]2(S(=O)(=O)c3ccccc3)ON1C[C@@H]2S(=O)(=O)c1ccccc1	17189996	FKVMUDUSITZBLP-FHLIZLRMSA-N	393.486	2.039	0	1	GEAF	
COc1cccc(/C=c2\s/c(=C\C(=O)c3ccc(C)cc3)[nH]c2=O)c1OC	3642980	CHWMGSWLGXQDID-ZAORYEFMSA-N	381.453	2.254	0	1	GEAF	
CC(=O)N[C@H]1CCN(c2ccc3nc(O)c(Cc4ccc(F)cc4)nc3n2)C1	2500241	WEIFDWMQARGLBX-HNNXBMFYSA-N	381.411	2.175	0	1	GEAF	
CC(C)CCNC(=O)C1CCC(CNc2c(N3CCCC3)c(=O)c2=O)CC1	4956129	SARMDTCNRJCXAE-UHFFFAOYSA-N	375.513	2.263	0	3	GEAF	
O=C(O)c1cc(C(F)(F)F)ccc1N1CC[C@H](OCCN2CCOCC2)C1	103252359	AQZRDSIWABPBRF-AWEZNQCLSA-N	388.386	2.331	0	1	GEAF	
COCCCNc1ccc(-c2cc3ncn(C)c(=O)c3c(NC3CC3)n2)cn1	115624035	NGKBRBYGJKSMQE-UHFFFAOYSA-N	380.452	2.413	0	1	GEAF	
CC(C)C(=O)O[C@@H]1C[C@H]2C[C@@H](OC(=O)[C@@H](CO)c3ccccc3)C[C@H]1N2C	2356496249	GVILSBKQFFAYSA-UJWQCDCRSA-N	375.465	2.109	0	1	GEAF	
COc1ccc([C@H](O)[C@@H]2CO[C@@H](c3ccc4c(c3)OCO4)[C@H]2CO)cc1OC	2356519510	FJXKIGDEXMHOCZ-YQMDMEMYSA-N	388.416	2.462	0	1	GEAF	
CS(=O)(=O)N1CC[C@H](CC(=O)O)[C@H](Cc2nc3cccc(Cl)c3[nH]2)C1	2356611247	PWHYGTWPEYTLLQ-GHMZBOCLSA-N	385.873	2.131	0	1	GEAF	
Nc1ccccc1C(=O)O[C@@H]1CCN2C[C@H]3C[C@@H](CN4C(=O)CCC[C@H]34)[C@H]2C1	2356690159	OEPJRGZBPIEMEZ-KMJHBWPFSA-N	383.492	2.289	0	1	GEAF	
CCn1cc(-c2cc3c(cn2)cnn3-c2cccc(N3CC[C@@H](O)C3)n2)cn1	211037264	SYPBNOXLIVCNCJ-MRXNPFEDSA-N	375.436	2.270	0	1	GEAF	
Nc1ncnc2c1nc(-c1ccc(S(=O)(=O)O)o1)n2CCc1ccccc1	40938762	PPLJUKJLSJJJPC-UHFFFAOYSA-N	385.405	2.158	0	1	GEAF	
O=C(NC[C@@H]1CCCO1)[C@@H]1CCCN1c1nc(-c2cc(O)cc(O)c2)cs1	82194210	VVPASIIKXCDUJU-RDJZCZTQSA-N	389.477	2.485	0	1	GEAF	
COc1c(N2CCC(CN)CC2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12	40466643	ABBXHMQLJHQMAL-UHFFFAOYSA-N	389.427	2.357	0	1	GEAF	
Cn1c2c(c3ccc(N4CCN(CCc5ccccc5)CC4=O)nc31)CNCC2	142039615	QZWWQECTMBIGSN-UHFFFAOYSA-N	389.503	2.110	0	1	GEAF	
CCCNC(=O)N1CC2(C1)[C@@H](c1ccccc1)[C@H](CO)N2C(=O)C1CCCC1	95869474	RMSYVZAQOTVHGF-OALUTQOASA-N	385.508	2.338	0	1	GEAF	
OC[C@@H]1[C@@H](c2ccccc2)C2(CN(Cc3ccccn3)C2)N1Cc1cncnc1	95796636	WURJDUNUSFAORT-FGZHOGPDSA-N	387.487	2.087	0	1	GEAF	
COc1cc2c3c(c1)O[C@@]1([C@@H]4CN(C(=O)OC(C)(C)C)C[C@@H]1CO4)[C@@H](C2)C3=O	587443780	MAWDLHXUEHNDQD-LUMUYPGZSA-N	387.432	2.447	0	1	GEAF	
NC(=O)C1CCN(C[C@H]2CC[C@H](c3nnn4cnc5[nH]ccc5c34)CC2)CC1	1772641340	SXKVHEDIBVBTOH-HDJSIYSDSA-N	381.484	2.077	0	1	GEAF	
O=P(O)(O)[C@@H](NCCc1ccccc1)c1cccc2nc(O)c(O)nc12	13440507	HQJLJWGABWOSHH-QGZVFWFLSA-N	375.321	2.050	0	1	GEAF	
O=c1n(CCCCN2CCN(c3ccc(F)cc3)CC2)c(O)c2n1CCCC2	169714872	SFPDTSZEKDBWPO-UHFFFAOYSA-N	388.487	2.433	0	1	GEAF	
CCC[C@H]1N=C2NC=CN=C2C(=O)N1NC(=O)c1cccc(C(F)(F)F)c1	1857641331	MDSSEWMOIFOKBX-LBPRGKRZSA-N	379.342	2.233	0	1	GEAF	
Cc1cccc(Oc2cccc(Cc3cn(COCCO)c(=O)[nH]c3=O)c2)c1	13605711	SQWZVDIXRJEOIC-UHFFFAOYSA-N	382.416	2.195	0	1	GEAF	
COc1cccc2c1CC[C@H]1CN(CCn3c(O)nc4cnccc4c3=O)C[C@@H]21	13863024	DQYOZIINFGPXBN-KBXCAEBGSA-N	392.459	2.168	0	1	GEAF	
COC(=O)[C@@]12C(=O)CCC(=O)[C@H]1[C@@H]1C(=C[C@H]2C)O[C@@H]2OC3(CCCCC3)O[C@H]12	17197950	WKIWXIYYKPWPBT-IZWINKOESA-N	390.432	2.276	0	1	GEAF	
O=c1[nH]c(NCc2ccc(Cl)c(Cl)c2)nc2ncn(CCOCCO)c12	28354849	GBZIONLRKWBBJI-UHFFFAOYSA-N	398.250	2.047	0	1	GEAF	
CC1(C)Oc2c(O)cc([C@@H]3CC(=O)c4c(O)cc(O)cc4O3)cc2[C@@H](O)[C@H]1O	59777193	UHWLHTOOVRRTDW-POZUXBRTSA-N	388.372	2.075	0	1	GEAF	biogenic
CC(C)c1ccc([S@]2=NS(=O)(=O)c3ccc(S(N)(=O)=O)cc32)cc1	73157964	LAFXMJXGLYOUHG-QFIPXVFZSA-N	384.504	2.380	0	1	GEAF	
COc1cccc(CNc2c3n(c(=O)n(Cc4ccc(F)cc4)c2=O)CCN3)c1	82204573	FERNMDYUTRNAGH-UHFFFAOYSA-N	396.422	2.244	0	1	GEAF	
CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cccn1C	101134631	VSDUWIRSSWYOEX-CYBMUJFWSA-N	396.447	2.335	0	1	GEAF	
COc1ccc2cc(C(=O)N3CCN(CCOc4cccnc4)CC3)[nH]c2c1	205942276	FTZUWJCGDUCPLF-UHFFFAOYSA-N	380.448	2.408	0	1	GEAF	
COc1ccc(-c2cnc3c(N(CCO)CCO)snc3c2)cc1OC	223102873	NVFCJCPRTFEMPK-UHFFFAOYSA-N	375.450	2.167	0	1	GEAF	
Cc1c(I)cnn1[C@H](C)c1nc2cccc(C(N)=O)c2[nH]1	587181783	CUQIVTXDTFBERM-MRVPVSSYSA-N	395.204	2.381	0	1	GEAF	
COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCc1nnnn1C	587392666	VBAUSSQVMMSEFH-QGZVFWFLSA-N	395.419	2.395	0	1	GEAF	
COc1cc2c3c(c1)O[C@@]1(C(=O)N(CCC(=O)O)c4cc(F)ccc41)[C@@H](C2)C3=O	587429396	UXSCNFGNQJQGIR-LHSJRXKWSA-N	397.358	2.299	0	1	GEAF	
CCc1ccc2c(c1)[C@]1(Oc3cc(OC)cc4c3C(=O)[C@H]1C4)C(=O)N2CC(=O)O	587434875	BPMFBEUGNSNBMC-IVZQSRNASA-N	393.395	2.332	0	1	GEAF	
COc1cc2c3c(c1)O[C@H](c1ccc(Cl)c(S(N)(=O)=O)c1)[C@@H](C2)C3=O	587449517	PBCHRJUOQFJUSC-APPDUMDISA-N	379.821	2.485	0	1	GEAF	
CCOC(=O)CCOCCCOCCc1nc2cc3c(cc2[nH]1)OCCO3	587567601	HVOKSYBXRUIEDK-UHFFFAOYSA-N	378.425	2.253	0	1	GEAF	
O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@@](c2ccccn2)([C@H]2CCNC2)N1	962968534	OROYORBNBYTDJM-KDDHCUDTSA-N	393.821	2.465	0	1	GEAF	
CC[C@@H]1C(O)=C2CC[C@@]3(C)C[C@H](C)[C@@H](O3)[C@@H](O)C[C@H](CO)C(=O)C[C@H]1OC2=O	2356599224	RFAFYLCMVLAPHK-QWGJUQPCSA-N	396.480	2.046	0	1	GEAF	
COc1ccc2c(c1)N(C(C)=O)[C@@H]1[C@H]3[C@@H]4C[C@H]5N(CC[C@@]251)CC4=CO[C@H]3OC	2356680487	KISKJMKSADKAMN-UCBGGOGSSA-N	382.460	2.279	0	1	GEAF	
O=C(NCC1CC1)c1nnc2n1CCN(C(=O)c1ccc3sccc3c1)C2	205230464	BNCMVIZMDXDLAW-UHFFFAOYSA-N	381.461	2.289	0	3	GEAF	
Cc1ccccc1CN1CCN2C(C(=O)NCC3CCOCC3)=COC2=NC1=O	206016647	IZCDYDRJBKRNSF-UHFFFAOYSA-N	398.463	2.003	0	3	GEAF	
O=S(=O)(Cc1ccccc1)NC[C@@H]1COCc2nc3cc(F)ccc3n21	2356302518	XLLNSYHVJNILEU-OAHLLOKOSA-N	375.425	2.366	0	1	GEAF	
C/C=C(/C)C(=O)O[C@H](C1=C(C)[C@@H](O)OC1=O)[C@]1(C)[C@H](C)[C@@H]2CC[C@@H]1[C@H](OC)O2	104383182	YEMKZDPASIYASW-UCWYXBNLSA-N	394.464	2.480	0	1	GEAF	in-man
COC(=O)[C@@H]1C[C@H](O)C(=O)[C@@H]2[C@@]3(C)C[C@@H](c4ccoc4)OC(=O)[C@H]3CC[C@]21C	28521930	BLTMVAIOAAGYAR-FDENTGNSSA-N	390.432	2.429	0	1	GEAF	
Cc1cc(O)cc(C)c1[C@H](C)[C@@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)O	26825023	FCXFTRJOTXZTEP-ADLFWFRXSA-N	382.460	2.478	0	1	GEAF	
Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NCCn1cncn1	34802939	FZMROVZIFREMDI-NVNXTCNLSA-N	394.410	2.285	0	1	GEAF	
N[C@@H](Cc1ccc(O)cc1)C(=O)NCC12C[C@H]3C[C@@H](C1)CC(CC(=O)O)(C3)C2	34660622	HLYXXEPIBWKYRY-AFPWGUCCSA-N	386.492	2.440	0	1	GEAF	
O=C(c1coc(-c2cccs2)n1)N1CCC[C@@H](C(=O)N2CCCNCC2)C1	82081417	KERXRZJRIYVREB-CQSZACIVSA-N	388.493	2.077	0	1	GEAF	
COc1cc(-c2cn([C@@H]3C(=O)N[C@H]4CC[C@@H]3C4)nn2)ccc1-n1cnc(C)c1	84596719	XFUQJGQSRHSODW-VCBZYWHSSA-N	378.436	2.287	0	1	GEAF	
CC(C)(C)c1[nH]cnc1C=c1nc(O)c(=Cc2c(F)cccc2Cl)nc1O	299816766	PYPKKJCUPFXUOE-UHFFFAOYSA-N	388.830	2.359	0	1	GEAF	
COc1cc2c3c(c1)O[C@]1([C@@H]4CO[C@H]1CN(C(=O)OC(C)(C)C)C4)[C@@H](C2)C3=O	587443790	MAWDLHXUEHNDQD-MAEZOLIKSA-N	387.432	2.447	0	1	GEAF	
O=S(=O)(NC[C@@H]1CCCO1)c1ccc(-c2nc3ncnc(Cl)c3[nH]2)cc1	586947410	XTXQECNSLJBLCJ-NSHDSACASA-N	393.856	2.131	0	1	GEAF	
O=C(N[C@H](Cc1nc2cc3c(cc2[nH]1)OCO3)C(=O)O)OCc1ccccc1	587203125	OBKXKMFCJOMCPA-CQSZACIVSA-N	383.360	2.214	0	1	GEAF	
COC(=O)c1ccnc2[nH]c([C@@H](CC(=O)O)NC(=O)OCc3ccccc3)nc12	587203142	ONSPFBKALYRUJH-CYBMUJFWSA-N	398.375	2.187	0	1	GEAF	
O=C(Nc1ccc(C(=O)N2C[C@H]3COC[C@H]3C2)cc1)N1Cc2ccncc2C1	166971321	NESWCBMPGCSXQO-HDICACEKSA-N	378.432	2.348	0	1	GEAF	
Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2ccc(C(=N)N)cc2)cc1	1857752523	XHCSVRMPEXXEDO-QGZVFWFLSA-N	386.477	2.071	0	1	GEAF	
O=C(NCc1ccco1)c1ccc2c(=O)n(C[C@H]3CCCO3)c(S)nc2c1	3631894	IEEJAFWRAHWERX-CQSZACIVSA-N	385.445	2.387	0	1	GEAF	
COc1ccccc1S(=O)(=O)n1cc2c3c(cccc31)N1CCNC[C@@H]1C2	118362564	NWDBPARGLORFCM-HNNXBMFYSA-N	383.473	2.221	0	1	GEAF	
C[C@]12CC[C@H]3[C@@H](CCC4=C[C@@H](O)CC[C@@]43CO)[C@]1(O)CC[C@H]2C1=CC(=O)OC1	2356743285	QHVJKHHDNXCKKX-HJQUIEGZSA-N	388.504	2.497	0	1	GEAF	
CCc1cc([C@]2(c3cccc(-c4cncnc4)c3)N=C(N)N(C)C2=O)cc(C)n1	45385176	YWXKDGOOFUZNNG-QFIPXVFZSA-N	386.459	2.440	0	1	GEAF	
O=C(O)C(=O)N(c1ccccc1C(=O)O)c1ccccc1N1CCC[C@@H](CO)C1	43020991	BQYKNMLBSHTVHK-CQSZACIVSA-N	398.415	2.343	0	1	GEAF	
Cc1nnc2sc(C(=O)NCc3ccc(S(C)(=O)=O)cc3)c(N)c2c1C	221822323	BDCMAJVEKVEQNH-UHFFFAOYSA-N	390.490	2.224	0	1	GEAF	
COC1CCC([C@H](C)Nc2nc(N3CCC[C@H](C(N)=O)C3)ncc2C)CC1	82204042	JSQOTJPMATZZTH-SOEBMCCKSA-N	375.517	2.492	0	1	GEAF	
C/C=C/c1ccc([C@@H]2[C@H](CO)N(C(C)=O)C23CN(C(=O)c2ccncc2)C3)cc1	95794653	NCFKBXJLNZSNQV-ZCWZMJLSSA-N	391.471	2.316	0	1	GEAF	
O=C(C1CCC1)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2C(=O)NC1CCCC1	95794670	VCRQDCSREUOWOO-VQTJNVASSA-N	397.519	2.480	0	1	GEAF	
O=C(O)C[C@H](NC(=O)OCc1ccccc1)c1nc2nc(Cl)c[nH]c-2n1	587204432	YONKUNUZYJRYQS-JTQLQIEISA-N	375.772	2.400	0	1	GEAF	
O=C(CNC(=O)OCc1ccccc1)NCc1nc2c(F)cnc(Cl)c2[nH]1	587226882	FNRVCJXQXSZVSY-UHFFFAOYSA-N	391.790	2.293	0	1	GEAF	
COc1cc2nc(N3CCOCC3)nc(NC3CCN(C)CC3)c2cc1F	1772604080	DQZNQZNMQLVCHG-UHFFFAOYSA-N	375.448	2.120	0	1	GEAF	
CN(C)C(=O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc2cc(F)ccc2[nH]1	13780529	PFPGCCFOJGKUAH-PKOBYXMFSA-N	383.423	2.097	0	1	GEAF	
Cc1ccc(S(=O)(=O)c2c[nH]cc2S(=O)(=O)CC2=NCCS2)cc1	53226617	PEWNBGBGAKWNRJ-UHFFFAOYSA-N	384.504	2.075	0	1	GEAF	
O=C1N[C@H](C(=O)O)CCc2cn(cn2)C/C=C/COc2ccc(Cl)c1c2	103260955	ZFSWEKWDTCABOA-PYKQWIPUSA-N	375.812	2.301	0	1	GEAF	
CCCS(=O)(=O)NC(=O)[C@]1(C)CCCN(C(=O)c2cc(F)ccc2C)C1	61928579	WTVVCQNNOKZMIP-GOSISDBHSA-N	384.473	2.232	0	3	GEAF	
COc1cc(OC)c2c(c1)O[C@H](c1cc(O)c(OC)cc1O)[C@H](OC)C2=O	2356624603	HWWQQYHBKHIOIS-RTBURBONSA-N	376.361	2.455	0	1	GEAF	
CC=C1CN2CC[C@@]34c5ccccc5N[C@H]3[C@H]2C[C@H]1[C@@]4(COC(C)=O)C(=O)OC	2356674367	FLECFYMISGFZLH-CVKACTFSSA-N	396.487	2.495	0	1	GEAF	
CCCOC(=O)c1ccc(OCCCON2C(=N)NC(=N)NC2(C)C)cc1	45202997	KUASJFUZBGBMNG-UHFFFAOYSA-N	377.445	2.054	0	1	GEAF	
c1ccc(CN[C@@H]2CO[C@@H]3[C@H]2OC[C@@H]3n2cc(COc3ccccc3)nn2)cc1	25426466	UJEYIAZWIUPQFL-MLNNCEHLSA-N	392.459	2.354	0	1	GEAF	biogenic
CC(C)[C@@H](NS(=O)(=O)c1ccc(-c2ccc(F)nc2)cc1)P(=O)(O)O	653716046	XMXCQGFKYDSJLX-HNNXBMFYSA-N	388.357	2.326	0	1	GEAF	
COc1cc2nc([C@@](C)(N)c3ccc(S(=O)(=O)O)cc3)[nH]c2cc1OC	586960567	ZWFWGZWQAUNTOJ-KRWDZBQOSA-N	377.422	2.049	0	1	GEAF	
O=c1oc2cc(O)c(Br)cc2cc1-c1nc2c(O)ncnc2[nH]1	586999456	AWYDXAPUQPAQIL-UHFFFAOYSA-N	375.138	2.300	0	1	GEAF	
COc1ccc(Cn2cc([C@@]3(C)N[C@H](C(=O)O)Cc4cccc(F)c43)nn2)cc1	962906637	QQPBMGNLAJUYQR-LAUBAEHRSA-N	396.422	2.337	0	1	GEAF	
COCCOc1ccc2[nH]nc(-c3cc(N4C[C@@H]5CC[C@H](C4)O5)ncn3)c2c1	1772619067	ASYNLOGXSDRMEP-GASCZTMLSA-N	381.436	2.413	0	1	GEAF	
COC(=O)[C@@]1(C)N[C@H](c2ccccc2F)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21	19460647	GZAYNZRUDFMCMQ-WCLQXYBISA-N	382.391	2.208	0	1	GEAF	
O=C(O)c1cn(C2CC2)c2c(F)c(N3C[C@H]4CC[C@@H]3CN4)c(F)cc2c1=O	13649291	YEGBYBZWOAXYLK-MWLCHTKSSA-N	375.375	2.253	0	1	GEAF	
CC(C)(CNC(=O)C1CCCCC1)NC[C@@H](O)COC(=O)c1ccccc1F	25974023	DWAJAFXXKDWCLL-MRXNPFEDSA-N	394.487	2.408	0	1	GEAF	
CCCC[C@H](NC(=O)OC(C(C)C)C(C)C)C(=O)C(=O)NCc1nnco1	26570045	KGCYAEOQGQEQOT-ZDUSSCGKSA-N	382.461	2.221	0	1	GEAF	
COc1c(C)nc(C)nc1C(=O)NCCN1CCN(c2cccc(C)c2C)CC1	64527259	SQKYPTYIXYDSOQ-UHFFFAOYSA-N	397.523	2.271	0	1	GEAF	
N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2cnc3ccccn23)CC1	64548761	JFSGJWXYSBMVEO-QGZVFWFLSA-N	383.883	2.206	0	1	GEAF	
C[C@@H]1CNc2c(NC(=O)CCC3CCCC3)c(=O)n(Cc3ccncc3)c(=O)n21	82212513	CFBYQDXYEOASOL-CQSZACIVSA-N	397.479	2.349	0	1	GEAF	
COC[C@@H](C)NC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12	169249050	PDPJLIBDEWXTAI-CXAGYDPISA-N	398.442	2.370	0	1	GEAF	
OONc1ccc2nc(N3CCNCC3)ccc2c1I	209737764	BYYMWCOJKGLFSB-UHFFFAOYSA-N	386.193	2.066	0	1	GEAF	
C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43CO)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1	255208052	DUSRIIPEQBGMHU-AZWSAXANSA-N	388.504	2.497	0	1	GEAF	
CC[C@@H](C(=O)N1CCN(c2ccc(C(F)(F)F)cc2)CC1)N1C(=O)CCC1=O	473130427	KQYZGQRARZJXRQ-HNNXBMFYSA-N	397.397	2.282	0	1	GEAF	
COC(=O)C1=C2CCCCCN2C(=O)C[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3	587438308	NFELDTSGOZBLMA-PEBXRYMYSA-N	397.427	2.415	0	1	GEAF	
Cc1cc2c(C(N)=O)cccc2n1-c1nc2c(c(=NCC3CC3)[nH]1)COCC2	1857560490	WAJAXUXVCGBSMC-UHFFFAOYSA-N	377.448	2.144	0	1	GEAF	
COC[C@@H]1CCCN1Cc1nc(C2(O)CCN(C3CCOCC3)CC2)cs1	2356426090	PNODIHXEADPXFK-KRWDZBQOSA-N	395.569	2.216	0	1	GEAF	
O=C(N[C@@H]1[C@H]2CC3C[C@@H]1C[C@@](O)(C3)C2)c1cnc(N[C@@H]2CCOC2)nc1C1CC1	101584636	DFVVWZTUNUJGGE-HRBYAFDTSA-N	398.507	2.224	0	1	GEAF	
COc1ccc2nc(C[C@@H]3CN(Cc4cnc[nH]4)CC[C@@H]3CC(=O)O)[nH]c2c1	2356305743	CESDXXRHAKAMST-ZIAGYGMSSA-N	383.452	2.450	0	1	GEAF	
C[C@@H]1CN(C(=O)c2ccccc2)CCN1S(=O)(=O)c1c[nH]c2ncccc12	28826901	ICLFAMDXSMSQGX-CQSZACIVSA-N	384.461	2.098	0	1	GEAF	
COc1ncnc2c1ncn2CCCN1CCN(Cc2ccc(C)cc2)CC1	61922644	AKFOQYOXNPTWSF-UHFFFAOYSA-N	380.496	2.351	0	3	GEAF	
C[C@@H]1C[C@@]23C[C@H]1CC[C@@H]2[C@]1(C(=O)O)CC[C@H](O)[C@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O	2356663369	CQDCLVASIPBLIZ-ZJUDRLQRSA-N	380.437	2.076	0	1	GEAF	
Cn1c(=O)c(C2=C[C@H](C=Cc3ccccc3)NNC(=O)N2)c(O)c2ccccc21	2356869201	XJHFWMFTRFOTDN-HNNXBMFYSA-N	388.427	2.484	0	1	GEAF	
O=C(NC[P@](=O)(O)N[C@H](C(=O)O)c1ccccc1)OCc1ccccc1	29401417	ZADLVIBJJBUVKB-HNNXBMFYSA-N	378.321	2.471	0	1	GEAF	
O=C(NC[C@@H](O)CN1Cc2ccccc2C1)c1cccc(NC2CCOCC2)c1	217092606	ISDGHQQLLYNJMG-JOCHJYFZSA-N	395.503	2.384	0	1	GEAF	
Cc1ccc(C(=O)Nc2cccc(-c3nc4c([nH]3)c(=O)n(C)c(=O)n4C)c2)cc1	73198709	JJYXEJHZEXKXAT-UHFFFAOYSA-N	389.415	2.188	0	1	GEAF	
N=C(N)c1cccc(NC(=O)CCCCC(=O)Nc2cccc(C(=N)N)c2)c1	49792701	LIUVPUBLZYZZAO-UHFFFAOYSA-N	380.452	2.392	0	1	GEAF	
O=[n+]1[nH]c2c(I)cnn2c2cc(Br)ccc21	377797794	JZPFBPUJFFMRNU-UHFFFAOYSA-N	391.974	2.097	0	1	GEAF	
CCn1cc(N)c(C(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)n1	587868928	XFOCPZFSJSJHTD-UHFFFAOYSA-N	380.330	2.460	0	1	GEAF	
Cc1c2c(nn1C)[C@@H](c1ccc(OCCCCN(C)C)cc1)N[C@@H](C(=O)O)C2	962710140	LAZDQKJTWGLWEN-RTBURBONSA-N	386.496	2.137	0	1	GEAF	
COCCN1C(=O)C(=O)[C@@H](C(=O)c2ccccc2)[C@@H]1c1cc(OC)ccc1OC	169687591	ICSLNJDFTGEPMX-MOPGFXCFSA-N	397.427	2.302	0	1	GEAF	
O=C(c1ccc2occc2c1)N1CCn2c(nnc2C(=O)N2CCCCC2)C1	205218308	SRVUPCRLPWEQJC-UHFFFAOYSA-N	379.420	2.306	0	3	GEAF	
CC(C)(C)N=c1nc(-c2ccncc2)[nH]c2cncc(NCCOCCO)c12	1857555381	MJYREJZSONKTGQ-UHFFFAOYSA-N	382.468	2.140	0	1	GEAF	
Cn1c(=O)cc(OCC(=O)N2CCN(c3ccc(F)cc3)CC2)c2ccccc21	6746411	YYNKGAKCZZMCNN-UHFFFAOYSA-N	395.434	2.405	0	3	GEAF	
CS(=O)(=O)c1ccc(CN2CCN3C(=O)N(c4ccccc4)C[C@@H]3C2)cc1	2356286977	BIFLAAXJCAKNBL-SFHVURJKSA-N	385.489	2.217	0	1	GEAF	
CCOC(=O)C(=O)N[C@@H]1C(=O)N(c2ccc(C)cc2)[C@@H]1/C=C/c1ccccc1	103236285	HGXSXDQHLLZPKB-YYYKYCEESA-N	378.428	2.472	0	1	GEAF	
C[C@H](NC(=O)c1cccc(C(F)(F)F)c1Cl)C(=O)C(=O)Nc1cc[nH]n1	64560047	IGBRTMNMZLDZHD-ZETCQYMHSA-N	388.733	2.408	0	1	GEAF	
COc1ccc(NC(=O)[C@@H]2Cc3c(-c4cccc(C(N)=O)c4)ccnc3O2)cn1	61926810	XBZHTXLGFBBUHJ-KRWDZBQOSA-N	390.399	2.193	0	3	GEAF	
O=C(NC1CCCCC1)O[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2NC(=O)C1CCCCC1	2356821967	FQNIFVAEVDNKMA-BRSBDYLESA-N	380.485	2.277	0	1	GEAF	
COC(=O)c1sccc1S(=O)(=O)N1c2cc(F)ccc2NC(=O)[C@H]1C	40953269	LWBHEWUBSURLSU-MRVPVSSYSA-N	384.410	2.210	0	1	GEAF	
COc1ccc(CNc2c3n(c(=O)n(Cc4ccncc4)c2=O)[C@H](C)CN3)cc1	82211295	BOEAYUHMKDXJFG-CQSZACIVSA-N	393.447	2.061	0	1	GEAF	
COc1ccc(CCNc2nc(N3CCC[C@@H](C(N)=O)C3)ncc2C)cc1OC	82204338	WMESWISJEFJOTC-MRXNPFEDSA-N	399.495	2.159	0	1	GEAF	
CCCN(CCOC)c1nc(C)nc2c1c(C)nn2-c1ccc(C(N)=O)nc1C	45298961	KMLRLORZOCMNDO-UHFFFAOYSA-N	397.483	2.097	0	1	GEAF	
COC(=O)C[C@H]1C=C[C@@H](NC(=O)Nc2ccc(C(F)(F)F)cc2)[C@H](CO)O1	95677645	PYGNPVIZRZQEAZ-MCIONIFRSA-N	388.342	2.075	0	1	GEAF	
CC[C@@H]1CN(C(=O)c2ccccc2)CC[C@@H]1CC(=O)NCCN1CCOCC1	25427680	CBMNWFYRSJZMPS-UYAOXDASSA-N	387.524	2.013	0	1	GEAF	biogenic
CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@H](C)NC[C@@H]1C	95666804	MLEIFZNHXKEZCN-NJSLBKSFSA-N	389.496	2.129	0	1	GEAF	
O=C(C1CCC1)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2C(=O)c1cccnc1	95866869	UNIXKLNLSTUFNF-VQTJNVASSA-N	391.471	2.063	0	1	GEAF	
C[C@@]1(COc2ccc(OC(F)(F)F)cc2)Cn2c(S(C)(=O)=O)cnc2O1	653743782	SLIUMMZUQAMWFO-AWEZNQCLSA-N	392.355	2.415	0	1	GEAF	
COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2cc(OC)c(C(=O)OC)cc2[nH]1	587231828	RGLSECXHSUYPSG-STQMWFEESA-N	389.452	2.395	0	1	GEAF	
COC(=O)c1ccc2nc(C3=CCC(=O)N(Cc4ccc(F)cc4)N3)[nH]c2n1	587163362	IGFWMTPPBRMWGM-UHFFFAOYSA-N	381.367	2.162	0	1	GEAF	
CN(CC(=O)N1CCc2ccccc21)S(=O)(=O)c1cccc2cccnc12	5067293	SAVIHGVAPLPSPE-UHFFFAOYSA-N	381.457	2.445	0	3	GEAF	
CCOC(=O)c1ccc(NS(=O)(=O)c2cc3c(cc2C)NC(=O)CO3)cc1	15941777	DZOKKDKVGFTNHJ-UHFFFAOYSA-N	390.417	2.303	0	3	GEAF	
COc1cc2c(c(O)c1OC)[C@H](O)[C@H]1CCC(=O)N1[C@H]2c1ccc2c(c1)OCO2	17257220	LBMHTQBMZVLESM-ZUSMLRIVSA-N	399.399	2.266	0	1	GEAF	
O=C(NCc1cccc(Br)c1)c1cc(CN2CCOCC2)on1	21540870	QVVVQHRKCJQBMX-UHFFFAOYSA-N	380.242	2.199	0	1	GEAF	
CCNCC(=O)Nc1nc2cc3nc(NC(=O)CNCC)sc3cc2s1	27183882	GDHJFWWYAWAIAY-UHFFFAOYSA-N	392.510	2.002	0	1	GEAF	
O=C(NC[P@@](=O)(O)N[C@@H](Cc1ccccc1)C(=O)O)OCc1ccccc1	29399265	WYANOKCBXBNUIJ-INIZCTEOSA-N	392.348	2.341	0	1	GEAF	
COc1ccc([C@@H]2CC(c3ccc(S(C)(=O)=O)cc3)=NN2C(N)=S)cc1	66252538	JEVIIJRBHPCESW-KRWDZBQOSA-N	389.502	2.493	0	1	GEAF	
CC[C@@H]1[C@@H]2OC(=O)[C@H](C)C2=C2C[C@@H]([C@@H]3C[C@H](C)C(=O)O3)N3CCCCC(=O)[C@]213	85541403	AZQNIKXQKXTZDF-LHYOHPDKSA-N	387.476	2.402	0	1	GEAF	biogenic,in-vitro
O=C(c1ccccn1)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2C(=O)CC1CC1	95794481	RFUYWTCVOSCMIJ-PZJWPPBQSA-N	391.471	2.063	0	1	GEAF	
COCCN(C[C@H]1N[C@H](CO)[C@H]1c1ccc(-c2ccc(F)cc2)cc1)C(C)=O	95895637	IALDNOXXIDQRDH-VSKRKVRLSA-N	386.467	2.404	0	1	GEAF	
CS(=O)(=O)N1CCC[C@H](Nc2ncccc2-c2cnc3[nH]ccc3n2)CC1	169262684	AUWLNQDLZOSAFU-ZDUSSCGKSA-N	386.481	2.246	0	1	GEAF	
COCC[C@]1(CC(=O)OC)N[C@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21	962703880	SZAPHILEFRDXDD-XJKSGUPXSA-N	393.333	2.238	0	1	GEAF	
CC=C1CN2CC[C@H]1[C@]1(C(=O)OC)C(=O)[C@]3(C[C@H]21)c1ccccc1N[C@H]3OC	2356412854	DNSZEXZABZEHOW-JYQUPBCJSA-N	382.460	2.105	0	1	GEAF	
COC(=O)[C@@]12C[C@H]3CN(CCc4c1[nH]c1ccc(OC)cc41)[C@H]2C[C@@H]3[C@H](C)O	2356491873	RGMOJRSLENXIRX-XXXKBGJBSA-N	384.476	2.235	0	1	GEAF	
C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2NC(=O)[C@@H](N)CO	61946712	QPFKAJPAZADUGH-CBKDVFDTSA-N	376.541	2.115	0	3	GEAF	
C[C@@H]1CN(c2c(F)c(F)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)CCN1	29401219	UVPAOMFBMNZWTA-MRVPVSSYSA-N	381.354	2.250	0	1	GEAF	
NCC=Cc1cnc(NC(=O)c2cc(Br)c(Br)[nH]2)[nH]1	2356603772	JFUKCDVDKWZMFY-UHFFFAOYSA-N	389.051	2.487	0	1	GEAF	
C[C@H](NC(=O)C[C@@H]1C(=O)N[C@H](c2ccccn2)N[C@H]1C)c1ccc(F)cc1F	212586522	BOEWYRHUEHZAQP-CIMWUQIDSA-N	388.418	2.350	0	1	GEAF	
CCn1cc(-c2cc3c(cn2)cnn3-c2cccc(N3CCN[C@@H](C)C3)n2)cn1	211037215	JVWOWDAKPHFJQW-HNNXBMFYSA-N	388.479	2.497	0	1	GEAF	
Cc1cc2c(c(=O)o1)C=C1CC[C@H]([C@@H](C)Cn3cc(C)c(=O)[nH]c3=O)C[C@@H]1O2	40407342	IFDFTJAPSISDSE-YLVFBTJISA-N	384.432	2.387	0	1	GEAF	
Cc1ccc([C@H]2C[C@@H]2COc2cc(NCc3cc(C)nn3C)c(=O)n(C)n2)nc1	221924323	AQJBKOXYCUETCG-WBVHZDCISA-N	394.479	2.320	0	1	GEAF	
Cc1ccc(N2CCN(S(=O)(=O)C[C@]34CC[C@H](CC3=O)C4(C)C)CC2)nc1	40412104	RWZOHCALMJNBMW-OXQOHEQNSA-N	391.537	2.237	0	1	GEAF	
CC(C)C[C@H](NC(=O)c1cc(OCC2CC2)c(Br)cn1)C(N)=O	149213401	YIINLUUQZWSARU-LBPRGKRZSA-N	384.274	2.263	0	1	GEAF	
COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)Nn1cnnc1)C(=O)OC2	96911449	VTSWBWSGIFJICI-NYYWCZLTSA-N	386.408	2.010	0	1	GEAF	
COc1cc2c3c(c1)O[C@@]1(C(=O)N(CCC(=O)O)c4ccccc41)[C@@H](C2)C3=O	587436626	SLMGAJREORDHCV-LHSJRXKWSA-N	379.368	2.159	0	1	GEAF	
NS(=O)(=O)c1ccc2nc(C3CCN(c4nccnc4Cl)CC3)[nH]c2c1	587084870	IZZSSPSEXWFAHW-UHFFFAOYSA-N	392.872	2.038	0	1	GEAF	
CC(=O)N1CCC[C@@H](OCc2cncc(-c3cnc4c(c3)CCN4C(N)=O)c2)C1	1772634177	SPKYGHOUVSPBOJ-LJQANCHMSA-N	395.463	2.112	0	1	GEAF	
Cc1nc([C@@H]2CCOC2)c2c(N3CCc4nc(C5CC5)ncc4C3)ncnn12	169711646	QZVOVBHDQSPRAH-CQSZACIVSA-N	377.452	2.167	0	1	GEAF	
Cc1ncncc1-c1ccc2c(c1)[C@]1(COC(N)=N1)C1(COC1)C1(CCC1)O2	220718403	ZNEBJRVYFYIQSP-OAQYLSRUSA-N	378.432	2.324	0	1	GEAF	
COC(=O)C[C@@]12CCCN3CC[C@]4(c5cccc(OC)c5N(C=O)[C@@H]4CC1)[C@H]32	138702577	ZKGZWBWSRSLNGE-BRKWEVRTSA-N	384.476	2.489	0	1	GEAF	
O=C(N[C@@H](Cc1ccccc1)C(=O)O)c1coc(-c2ccc3c(c2)OCO3)n1	82075245	DZUIWFBBGUXHQM-AWEZNQCLSA-N	380.356	2.496	0	1	GEAF	
O=C(c1cccnc1)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2C(=O)CC1CC1	95666809	XDZPGROQMOVQGA-CTNGQTDRSA-N	391.471	2.063	0	1	GEAF	
COC(=O)C[C@@]1(C(OC)OC)N[C@@H](C)Cc2ccc(F)c(Br)c21	587789817	DPEVOFJRCZYDJU-XXFAHNHDSA-N	390.249	2.500	0	1	GEAF	
CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2ccnc(N)c2[nH]1	586937626	RCRSCLBJBRNLEE-ZDUSSCGKSA-N	377.495	2.313	0	1	GEAF	
CS(=O)(=O)c1cccc([C@H]2N[C@H](C(=O)O)Cc3c2cnc2ccccc32)c1	963228113	NBJBAXHLWHOZJQ-RBUKOAKNSA-N	382.441	2.327	0	1	GEAF	
COc1ccc(OCCOC(=O)COc2ccc(F)c(C(N)=O)c2F)cc1	1772620657	URLVMWDABIXTJS-UHFFFAOYSA-N	381.331	2.073	0	1	GEAF	
COc1ccc(OCCCC(=O)O)c(Cc2cnc3nc(N)nc(N)c3c2C)c1	13646370	PBWQOXPBOBZOLO-UHFFFAOYSA-N	397.435	2.341	0	1	GEAF	
CN(C)c1cc(N2C[C@H]3[C@@H](C2)OC(=O)N3CCCc2ccc(F)cc2)ncn1	15076821	OWFNAJJRFGOGSN-DLBZAZTESA-N	385.443	2.324	0	1	GEAF	
O=C1NCCN1c1ccc(CN2CCN(C3CCCCC3)[C@H](CCO)C2)cc1	19226850	UORDPQUSPJVMHX-OAQYLSRUSA-N	386.540	2.418	0	3	GEAF	
COc1cc([C@@H]2c3cc4c(cc3C(=O)[C@H]3CCC(=O)N32)OCO4)cc(OC)c1O	1654644	DHAJSWSGIAPSOV-BFUOFWGJSA-N	397.383	2.415	0	1	GEAF	
CCCCO[C@@H]1C[C@@H](C(=O)N[C@H](CO)CC(C)C)N(C(=O)c2ccco2)C1	4545970	ZXIGQFVDVIECRX-BBWFWOEESA-N	380.485	2.203	0	1	GEAF	
CSCCCNC(=O)C[C@H]1C(=O)NCCN1Cc1ccc(Cl)c(F)c1	55371616	ZYJRWOXSEOXCDC-HNNXBMFYSA-N	387.908	2.039	0	1	GEAF	
CO[C@H](C)[C@@H]1[C@H]2C[C@H]3C4=Nc5ccccc5[C@@]45C[C@@H]([C@@H]2[C@@H]5OC(C)=O)N3[C@H]1O	2356566851	XHABFDBTVXEZFH-STFYVHMUSA-N	382.460	2.018	0	1	GEAF	
O=C(Nc1ccccc1)NC1(C(=O)NCCCN2CCOCC2)CCCCC1	32303952	CGZFZMUTNDAEKL-UHFFFAOYSA-N	388.512	2.350	0	3	GEAF	
C=CCN(C)C(=O)[C@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(-c2ccc(OC)cc2)nn1	8300161	RSZQWUWBLKGEBK-NSHGMRRFSA-N	395.507	2.309	0	1	GEAF	biogenic
O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(NCC(C3CC3)C3CC3)nc(Cl)nc21	95554563	DLLBDGSHJQQCKC-WUFOEMFESA-N	389.887	2.240	0	1	GEAF	
COC(=O)[C@@H]1C[C@@]23C(=O)[C@H]4C[C@H]5N(C[C@H]4C)C[C@@H]([C@H](O)CC4=C2[C@@H]1CC4)[C@]53C	653795336	GCTDUMSVTGOYKG-HECLQKDGSA-N	385.504	2.182	0	1	GEAF	
N=c1[nH]c2nc(-c3nnn(Cc4cccc(F)c4)c3Cl)nc-2c(Cl)[nH]1	587161440	OCJYPHWAIQKBNR-UHFFFAOYSA-N	379.186	2.470	0	1	GEAF	
COc1cccc2c3c(cnc12)CCN[C@@]3(CS(=O)(=O)N(C)C)C(C)C	963049957	WXLOEIWQGKRVEI-IBGZPJMESA-N	377.510	2.132	0	1	GEAF	
Cc1cc(C)nc(N2C[C@H]3CCN(C(=O)c4ccccc4-n4nccn4)C[C@@H]32)n1	169701378	GCJLLSZIAIAWSK-APWZRJJASA-N	389.463	2.025	0	1	GEAF	
Cc1ccc(CNC(=O)c2ccc3c(=O)n(C[C@H]4CCCO4)c(=O)[nH]c3c2)cc1	2952635	YWKTYBOJAVVPFL-QGZVFWFLSA-N	393.443	2.107	0	1	GEAF	
C[C@H]1C[C@@H](C)CN(C(=O)[C@@H]2CCCN2c2nnc(N3CCCC3=O)s2)C1	6798696	MEEBRGIODCIWRH-MJBXVCDLSA-N	377.514	2.138	0	1	GEAF	
CCCNC(=O)c1cc([C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)on1	61928490	HBMSMHZNBFBJKW-AWEZNQCLSA-N	377.466	2.383	0	3	GEAF	
C[C@H](OC(=O)C=Cc1ccc(O)cc1)[C@@H]1CC[C@H]([C@@H](O)[C@H]2CC=CC(=O)O2)O1	2356767616	DEEHWRGXKJRSMV-PGTXWZDTSA-N	388.416	2.117	0	1	GEAF	
CO[C@@H]1c2c([nH]c3ccccc23)[C@H](C=C(C)C)N2C(=O)[C@@H]3CCCN3C(=O)[C@@]12O	2356852816	QTOVUUPWQCFFQD-RZJBWQBDSA-N	395.459	2.398	0	1	GEAF	
CC(C)=CCc1[nH]c2ccccc2c1C[C@@H]1NC(=O)[C@H](Cc2c[nH]cn2)NC1=O	84652320	BYQFTVXOGIBRKJ-PMACEKPBSA-N	391.475	2.168	0	1	GEAF	
CS(=O)(=O)/C=C\c1nc2c(I)cnc(Cl)c2[nH]1	586924435	AKDBBMUVVJHYRE-IHWYPQMZSA-N	383.598	2.231	0	1	GEAF	
Cc1cc2nc(-c3c(I)c(C(=O)O)nn3C)[nH]c2c(C)n1	587180614	IISSYZYQAOIITM-UHFFFAOYSA-N	397.176	2.278	0	1	GEAF	
CCCCNS(=O)(=O)c1ccc2nc(-c3nnn(C)c3C(F)F)[nH]c2c1	587128791	QTHSNDNJHGKMFG-UHFFFAOYSA-N	384.412	2.374	0	1	GEAF	
Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4ccc(C(N)=O)cc4[nH]3)cc12	587037628	LJMMCBMWJJGXQP-SECBINFHSA-N	382.449	2.409	0	1	GEAF	
C[C@@]1(c2ccc(O)c(CCO)c2)N[C@H](C(=O)O)Cc2c1cnc1ccccc21	963220760	ILOFWISFHYSNND-UGKGYDQZSA-N	378.428	2.338	0	1	GEAF	
CN1[C@@H]2COC[C@H]1C[C@@H](NC(=O)c1cn(-c3cccnc3)c3ncc(F)cc13)C2	1772617144	XLIZJIRFMQBIQB-XGBSXSJOSA-N	395.438	2.151	0	1	GEAF	
Cc1cc(C)nc(CCNC(=O)[C@H]2CCC(=O)N(Cc3ccccc3F)C2)n1	11999841	OKPJMUFWDBZYKY-KRWDZBQOSA-N	384.455	2.330	0	3	GEAF	
O=C(NC1CCCCCC1)[C@@H]1[C@@H]2C=C[C@@]3(CN(Cc4cccnc4)C(=O)[C@@H]13)O2	169368092	UOCISZFZWYHAPM-JYLXEMOASA-N	381.476	2.203	0	1	GEAF	
COc1ccc([C@]2(C)NC(=O)N(C[C@H](O)c3ccc(F)cc3F)C2=O)cc1	1857564991	VGDHCMGTODEDEX-LPHOPBHVSA-N	376.359	2.474	0	1	GEAF	
Cc1c(N2CC[C@@H](N)C2)c(F)cn2c(=O)c(/C(O)=C/[N+](=O)[O-])cc(C3CC3)c12	26837151	WHBIDTDGFAXOHI-DZZSIBQASA-N	388.399	2.295	0	1	GEAF	
Cc1noc(C)c1CCC1CCN(S(=O)(=O)CC2(N(O)C=O)CCC2)CC1	71280574	XRFARLVFDBABAU-UHFFFAOYSA-N	399.513	2.036	0	1	GEAF	
CNCc1cn(S(=O)(=O)c2cccnc2C)c(-c2cccnc2F)c1F	117246841	QMKBYLWPAMONKO-UHFFFAOYSA-N	378.404	2.488	0	1	GEAF	
COC(=O)[C@]1(C)N[C@@H](c2ccccc2F)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21	169294990	GZAYNZRUDFMCMQ-PZTGFMGMSA-N	382.391	2.208	0	1	GEAF	
O=C(CNC(=O)c1ccccc1)NN1C(=O)CS[C@H]1c1c[nH]c2ccccc12	299841048	XOVGMNPBCMSHDS-FQEVSTJZSA-N	394.456	2.203	0	1	GEAF	
CNS(=O)(=O)c1ccc(CCc2nc3cncc(Br)c3[nH]2)cc1	586946269	ILQMOZSUSVNBKK-UHFFFAOYSA-N	395.282	2.414	0	1	GEAF	
Cc1c(C(=O)N2CC[C@@]3(CCCCN3)C2)cnn1-c1nc(O)c2sccc2n1	1857590375	FTBDJUMBLJIPDN-IBGZPJMESA-N	398.492	2.249	0	1	GEAF	
O=C(CF)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccnc2ccccc12	1857607389	FJFDUPJFYCIIJL-FQEVSTJZSA-N	393.418	2.231	0	1	GEAF	
CC=C1CN2[C@H]3C[C@@]45c6cc(OC)cc(OC)c6N[C@@]4(O3)[C@H]2C[C@H]1[C@@H]5C(=O)OC	2356382791	OCJLZJDDQJQQPJ-GDYRUKTJSA-N	398.459	2.263	0	1	GEAF	
C[C@H](CCC(=O)O)O[C@@H]1O[C@H](C)[C@@H](OC(=O)c2c[nH]c3ccccc23)C[C@@H]1O	2356468507	GIZBXORWWXIWKX-FEQLTHFZSA-N	391.420	2.459	0	1	GEAF	
NC[C@@H]1CCCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C1	3800464	PLANNMJDYUWXND-JTQLQIEISA-N	377.391	2.488	0	1	GEAF	
CN1C(=O)c2c(ccc3c2OCO3)[C@@]2(C)[C@@H]1c1cc3c(cc1C[C@H]2O)OCO3	14930731	KUCVHCLYIAWDLU-LKUPVBHCSA-N	381.384	2.146	0	1	GEAF	biogenic
O=C1N=C2SC([N+](=O)[O-])=CN2C2=NC(=S)N[C@@H](c3ccc(Cl)cc3)[C@H]12	95584545	ZLUPYWJLHQGGOL-UWVGGRQHSA-N	393.837	2.305	0	1	GEAF	
COc1cc2c(cc1OC)[C@@]13CCN4C[C@H]5C=CO[C@@H]6CC(=O)N2[C@@H]1[C@H]6[C@H]5C[C@H]43	238737693	OQWSVCXXAYKEFF-QMWXNRHLSA-N	394.471	2.313	0	1	GEAF	
COC(=O)c1cc(Br)c2[nH]c(C3=C(N)C(C)(C)OC3=O)nc2c1	587254642	VWJKGKBQHNZXKU-UHFFFAOYSA-N	380.198	2.117	0	1	GEAF	
CC(C)(C)OC(=O)[C@H](N)CCc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1	587256683	MRWDSOCIAZMERM-CYBMUJFWSA-N	398.467	2.224	0	1	GEAF	
Cc1nn(C)c(C)c1[C@]1(C(N)=O)N[C@@H](C)Cc2cc(Br)c(F)cc21	587754482	DOWWRTGPHPAHPD-WNWIJWBNSA-N	395.276	2.202	0	1	GEAF	
C[C@H](C(=O)N1CCN(c2ccccc2Cl)CC1)N1C(=O)CC(C)(C)C1=O	653791266	BCQXVDXPHBZHCH-CYBMUJFWSA-N	377.872	2.162	0	1	GEAF	
O=C1[C@H](CO)OC2(CCN(CCc3ccccc3)CC2)CN1c1ccccc1	1857558842	QGQRUYNHBMRUGE-NRFANRHFSA-N	380.488	2.488	0	1	GEAF	
COCC(=O)N[C@@H]1CC[C@]2(C)CC[C@H]([C@H](C)C(=O)N3CCCC3)[C@H](O)[C@@H]2[C@H]1C	2356320299	TZIGWNROWUQXOF-FKCLDPJRSA-N	394.556	2.199	0	1	GEAF	
CC(C=CC(=O)NCCS(=O)(=O)O)=C[C@H](C)C(=O)c1ccc(N(C)C)cc1	2356682668	PFWJROBANCEKNL-HNNXBMFYSA-N	394.493	2.078	0	1	GEAF	
CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)NC(C)C)c21	2459207	QATGODANOYBZFK-UHFFFAOYSA-N	375.288	2.435	0	1	GEAF	
NC(=O)c1ccc2cc(Br)c(C(F)(F)P(=O)(O)O)cc2n1	29047767	DTMNLXGNQMRBKO-UHFFFAOYSA-N	381.069	2.323	0	1	GEAF	
NC(=O)[C@H](CO)Nc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12	101284170	QOPOGAULTUZVEO-INIZCTEOSA-N	388.807	2.284	0	1	GEAF	
Cc1cc(O)c2c3c1[C@@H](O)C=C1C(C)(C)C(=O)c4c(O)cc(O)c(c4[C@]13O)C2=O	2356574823	OKCBDYXNYLOVEE-SAHAZLINSA-N	394.379	2.088	0	1	GEAF	
COC(=O)[C@@H]1C[C@@]23CCCN4CC[C@@]5(c6cccc(OC)c6N[C@@]15CC2)[C@]43O	2356770081	WSGUCCCLBAHHRU-YYERIDGHSA-N	384.476	2.259	0	1	GEAF	
Cn1cccc1C(=O)N[C@H]1CCN2C(=O)c3ccc(Cl)cc3NC(=O)[C@@H]2C1	15709388	XGSZFPNRZMJMRN-LRDDRELGSA-N	386.839	2.034	0	1	GEAF	biogenic
CCC(=O)N1CC2(C1)[C@H](c1ccc(C3=CCCC3)cc1)[C@H](CO)N2C(=O)COC	95666926	YTSNREZWCLYNLJ-SIKLNZKXSA-N	398.503	2.178	0	1	GEAF	
C/C=C1/C=[N+]([O-])[C@@H]2C[C@H]1[C@@H](C(=O)OC)[C@@]13C[C@H](OC)O[C@@]21Nc1ccccc13	238744060	WHAYYXYTINYKPT-YKWZKIPCSA-N	384.432	2.158	0	1	GEAF	
Cc1cccc(S(=O)(=O)CC(C)(C)CCCOCn2ccc(=O)[nH]c2=O)c1	96172791	TZJULYWCNXTRNX-UHFFFAOYSA-N	394.493	2.099	0	1	GEAF	
COC(=O)[C@]12C[C@@]3(C=CCN4CC[C@@]5(c6ccccc6N[C@@]15OC)[C@H]43)[C@@H](C)O2	238754280	PWOOYNOBJFJZLT-RURWLCLQSA-N	382.460	2.057	0	1	GEAF	
Cc1cc(N)c2c(c1)C(=O)C[C@](CCN1CCOCC1)(c1cn(C)nc1C)O2	587392553	ZLTSAVJRGVTZEG-OAQYLSRUSA-N	384.480	2.202	0	1	GEAF	
CCOC(=O)[C@H](NC(C)=O)[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	587568756	DKRHUYPHHHSPQP-LRQRDZAKSA-N	399.399	2.180	0	1	GEAF	
Cn1c(=O)n(C2CCOCC2)c2c3cc(-c4cnc(N)nc4)ccc3ncc21	1772645390	YMLAOBUVHWUIQH-UHFFFAOYSA-N	376.420	2.279	0	1	GEAF	
CC(C)(C)NC[C@H](O)COC[C@@H]1CN=C(Nc2c(Cl)cccc2Cl)N1	13446506	XOVQKTDCYQAFMK-RYUDHWBXSA-N	389.327	2.499	0	1	GEAF	
CO[C@H]1C[C@](C)(NC(=O)C(F)(F)F)[C@@H]2O[C@@H](c3ccccc3)OC[C@@H]2O1	17257723	JSDNZWQQFHOALK-ADVQIIOHSA-N	375.343	2.299	0	1	GEAF	
COCCN(C)C(=O)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1	205759937	HNICLLKYKSKWPF-UHFFFAOYSA-N	377.408	2.135	0	1	GEAF	
CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H]2CNC(=O)c1cnc2nccn2c1	205801009	XQZWWNWHRPOUQF-OAHLLOKOSA-N	385.468	2.496	0	1	GEAF	
COc1ccc2nc(COc3ccc(C[C@@H]4SC(=O)NC4=O)cc3)n(C)c2n1	1485033	VPFJHPSVNYPBHL-AWEZNQCLSA-N	398.444	2.450	0	1	GEAF	
CCOc1ccccc1C1=NO[C@@H](c2ccccc2)[C@@H]1C(=O)NCCOCCO	4152085	GYAFLLMIBNFNBW-CTNGQTDRSA-N	398.459	2.302	0	1	GEAF	
Cc1c(N2CC[C@@H](NCCF)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12	6520928	BWWJJEXAWHIZKB-CYBMUJFWSA-N	391.418	2.460	0	1	GEAF	
CO[C@@H]1[C@H](OCc2ccccc2)[C@H](OCC(=O)O)O[C@H](CC(C)C)[C@H]1OC	13531663	FKKRIXVGUJIXBK-LFZDHENXSA-N	382.453	2.474	0	1	GEAF	
C[C@@H](CC(=O)NC1CCCC1)S(=O)(=O)c1ccc2c(c1)NC(=O)CS2	21529596	LZGHRWDRUSIWKP-NSHDSACASA-N	382.507	2.342	0	1	GEAF	
CCCC(=O)NC(CCC(=O)c1ccccc1)(C(=O)OCC)C(=O)OCC	26661444	NIURWESCMDKQQH-UHFFFAOYSA-N	377.437	2.431	0	1	GEAF	
O=C([C@@H]1CCNC1)N1CCN(CCNc2ccnc3cc(Cl)ccc23)CC1	29212671	AYWYNVNJQQACQS-OAHLLOKOSA-N	387.915	2.054	0	1	GEAF	
NC1=NC(=S)N=C(N)C1[C@H](CC(=O)c1ccccc1)C(=O)c1ccccc1	53119650	IORCRDZGUGNKNG-AWEZNQCLSA-N	378.457	2.388	0	1	GEAF	
Cc1nc([C@H]2CCOC2)c2c(N3CCc4c(c(C(C)C)nn4C)C3)ncnn12	169711715	JQNFABHCPGZYEE-AWEZNQCLSA-N	381.484	2.356	0	1	GEAF	
COC(=O)C1=C2Nc3cc(OC)ccc3[C@@]23CCN2CC=C[C@@]([C@H](C)O)(C1)[C@H]23	197880235	ASAFZNAXYPDIJR-PXAUIPFGSA-N	382.460	2.201	0	1	GEAF	
O=C1CSC[C@H](c2nc3c(I)cnc(Cl)c3[nH]2)N1	587042869	HZSGPVZLQRLVBE-RXMQYKEDSA-N	394.625	2.120	0	1	GEAF	
COc1cc(-c2nc3cccc(S(N)(=O)=O)c3[nH]2)nn1-c1ccccc1F	587155363	FOXWPNRFMPBWFY-UHFFFAOYSA-N	387.396	2.211	0	1	GEAF	
COCCNC(=O)c1cccc(NC(=O)CCc2nc3cc(C)cnc3[nH]2)c1	587229929	DMDDEIFOZCAEJX-UHFFFAOYSA-N	381.436	2.214	0	1	GEAF	
CC[C@H](CO)NC(=O)c1cccc(-c2cnc3ccc(N[C@H](CC)CO)nn23)c1	1772641957	KCXBBJNHGRCSQQ-IAGOWNOFSA-N	397.479	2.080	0	1	GEAF	
c1nc(=N[C@H]2CC[C@H](N3CCOCC3)CC2)c2c(C3CCOCC3)ccn2[nH]1	1857774659	XSAXTTCUKKONOS-IYARVYRRSA-N	385.512	2.101	0	1	GEAF	
O=C(Nc1cccc(F)c1)N[C@@H]1[C@H]2CO[C@@H](O2)[C@H](n2cnc3ccccc32)[C@@H]1O	2356296112	KLNOHYONKDXGIH-NNIGNNQHSA-N	398.394	2.023	0	1	GEAF	
Cc1nccc(C[C@@H]2[C@H](NCc3ccccc3C(F)(F)F)C[C@@H](O)[C@H]2CO)n1	2356388051	OVBHAZDRFJSHBJ-RNIPGJKVSA-N	395.425	2.494	0	1	GEAF	
CC1(C)CN(C(=O)NCc2ccccc2)C[C@H]2CN(C3CCOCC3)CCN21	2356443761	XRASHDVAIPBSMH-HXUWFJFHSA-N	386.540	2.156	0	1	GEAF	
COc1ccc(OC)c(S(=O)(=O)N2C[C@H]3ON=C(c4ccccc4)[C@H]3C2)c1	205216903	WSZLJFGIQMLXKO-DOTOQJQBSA-N	388.445	2.127	0	3	GEAF	
CCc1ccc(NC(=O)C2CCN(c3c(N4CCCC4)c(=O)c3=O)CC2)cc1	4729055	WCBYCCIXYKODAB-UHFFFAOYSA-N	381.476	2.300	0	3	GEAF	
COc1ccccc1CNS(=O)(=O)c1ccc2ncc(C(=O)O)c(O)c2c1	8672537	VTWBDWZBNSLYDN-UHFFFAOYSA-N	388.401	2.126	0	3	GEAF	
CC=C1C[C@H](C)[C@@](C)(OC(C)=O)C(=O)OCc2ccn3c2[C@@H](CC3=O)OC1=O	2356464543	NTGIQQBAUYBEBF-BGFJZZDESA-N	389.404	2.467	0	1	GEAF	
CC(C)C(=O)O[C@@H]1C[C@H]2C[C@H](OC(=O)[C@@H](CO)c3ccccc3)C[C@H]1N2C	2356496247	GVILSBKQFFAYSA-ICBNADEASA-N	375.465	2.109	0	1	GEAF	
O=C1NC(=S)N/C1=C\c1ccc(-c2ccc3c(c2)CN(CCCO)C3=O)s1	145930889	FAHSYOLAZVYRKH-DHDCSXOGSA-N	399.497	2.099	0	1	GEAF	
CC(C)(C)N1C(=O)c2ccccc2NC(=O)[C@@H]1C(=O)NCCOc1ccccc1	95604335	GMBMJNWFEJZHGW-SFHVURJKSA-N	395.459	2.443	0	3	GEAF	
[C-]#[N+]c1ccc([C@H]2CN(c3nc(-c4ncncc4F)cc(=O)n3C)CCN2)cc1	146170785	KTZPDNBOHASFOR-QGZVFWFLSA-N	391.410	2.078	0	1	GEAF	
COc1ccc(OC[C@H]2CN(Cc3ccccc3)S(=O)(=O)CCO2)cc1	96021254	RSWNAIXIUFYJGD-LJQANCHMSA-N	377.462	2.305	0	3	GEAF	
COc1ccc(COC[C@@]23Oc4ccccc4[C@@H](NC(=O)N2C)[C@H]3CO)cc1	95783856	UJAJWWLOHNBANV-QFUCXCTJSA-N	384.432	2.305	0	1	GEAF	
CN(C)S(=O)(=O)c1cccc2[nH]c(-c3cccnc3SCC(=O)O)nc12	586969698	ZKRJKVSKMSYHAK-UHFFFAOYSA-N	392.462	2.052	0	1	GEAF	
COC(=O)C[C@]1(C(OC)OC)N[C@H](C)Cc2cc(Br)c(F)cc21	587789762	DKSXAUOEURKQFE-ABKXIKBNSA-N	390.249	2.500	0	1	GEAF	
Cn1cc(NC(=O)c2cccc(-c3ccnc(NCC4CC4)c3)n2)c(C(N)=O)n1	1857582920	OYKFQROPBGOBLP-UHFFFAOYSA-N	391.435	2.050	0	1	GEAF	
CN(C)C[C@@H](Nc1nnnc2c(C(N)=O)cccc12)c1ccc(Cl)c(C#N)c1	143348968	GXPXLCKCZLZHRD-MRXNPFEDSA-N	395.854	2.364	0	1	GEAF	
CCCCCC(=O)O[C@@H]1C[C@@](C)(O)[C@H]2CC[C@@](C)(C=C3OC(=O)C(CO)=C31)O2	2356379955	MGPYQXSGMJBBSY-WWEWDKITSA-N	394.464	2.301	0	1	GEAF	
O=C(NCc1ccco1)c1ccc2c(=O)n(C[C@@H]3CCCO3)c(S)nc2c1	3631896	IEEJAFWRAHWERX-AWEZNQCLSA-N	385.445	2.387	0	1	GEAF	
CCc1ccc(NS(=O)(=O)c2c(C)nc3sc(CC)nn3c2=O)cc1	6784625	QLHSPQNJNIMALI-UHFFFAOYSA-N	378.479	2.385	0	3	GEAF	
COc1cccc(CNC(=O)c2nn(C)c3c2CS(=O)(=O)c2ccccc2-3)c1	6839767	MKRPRSBTVOLIPX-UHFFFAOYSA-N	397.456	2.313	0	1	GEAF	
CCSC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)Cc3ccccc3)C[C@H]2S1	26390336	UXESOUSSVIJOOH-DGCLKSJQSA-N	378.475	2.026	0	1	GEAF	
Oc1n/c(=C\c2cnc[nH]2)c(O)n/c1=C\c1cccc(Oc2ccc(F)cc2)c1	1911575628	USXCSYDRUOLRNX-JZAWIKSFSA-N	390.374	2.200	0	1	GEAF	
C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2ccc(Br)nc2[nH]1	586958298	HXVAMWYHBJZXAT-CQSZACIVSA-N	397.254	2.189	0	1	GEAF	
Cn1nc(C(=O)N[C@H]2CCCN(Cc3ccccc3F)C2)c2ccccc2c1=O	11839847	FUHGPYHKIWIXDB-INIZCTEOSA-N	394.450	2.467	0	3	GEAF	
Cc1cnccc1N1CCN(CCCNc2ncccc2C(=O)N(C)C)CC1	13764540	JGKIHBNSDMUTKS-UHFFFAOYSA-N	382.512	2.111	0	1	GEAF	
CN1CCc2cc3c(cc2[C@H]1[C@@H](O)c1ccc2c(c1C(=O)O)OCO2)OCO3	14859636	WUOGMWBLNQGZRV-ROUUACIJSA-N	385.372	2.105	0	1	GEAF	biogenic
Cc1cccc(NC(=O)c2[nH]cnc2C(=O)NCC(=O)OCc2ccccc2)c1	15952255	NRFCCJOWINZJFI-UHFFFAOYSA-N	392.415	2.444	0	3	GEAF	
CNC(=O)[C@@H](NC(=O)c1ccc(C2CC2)c(OC[C@@H]2CCCO2)n1)C(C)(C)C	150190841	JHZBJIARSBGHJQ-WMLDXEAASA-N	389.496	2.407	0	1	GEAF	
COc1cc(CNC(=O)n2sc3ncccc3c2=O)cc(OC)c1OC	169711322	TUBHBIJCCROYSQ-UHFFFAOYSA-N	375.406	2.242	0	1	GEAF	
O=C(CN1CCCC1)N1CCC(n2cc(-c3nc[nH]c4nccc3-4)cn2)CC1	1857601433	UXJWYOCNOXYGNE-UHFFFAOYSA-N	379.468	2.032	0	1	GEAF	
O=C1c2ccccc2C(=O)N1CCc1ccc(OCCCc2nnn[nH]2)cc1	13442474	ANEIGIGOUVTUAA-UHFFFAOYSA-N	377.404	2.050	0	1	GEAF	
O=C(NCCn1cccn1)c1ccc([C@@H]2CCCN2C(=O)c2ccon2)s1	20541499	IBZMYNWHQPUUKF-AWEZNQCLSA-N	385.449	2.340	0	1	GEAF	
COC(=O)c1cc(NC(=O)c2cccc(NC(=N)N)c2)ccc1/C=C/C(=O)O	29248421	FFHTVWUGYZATJR-SOFGYWHQSA-N	382.376	2.129	0	1	GEAF	
COCCNC(=O)[C@H](C)[C@@H]1CCc2c(C)cc(OCCOC)c(C)c2[C@H]1O	33773728	OIHCBIQZWLMFOZ-LIVBEALHSA-N	379.497	2.323	0	1	GEAF	biogenic
O=C(NCc1ccc(Cl)c(Cl)c1)c1cncc(N2C[C@@H]3CNC[C@@H]3C2)n1	73168432	IDWLDVTUHLGPAB-BETUJISGSA-N	392.290	2.369	0	1	GEAF	
C[C@H]1CNc2c(NCc3ccccc3F)c(=O)n(Cc3ccncc3)c(=O)n21	82211342	CBNWLHDFGFLAHG-ZDUSSCGKSA-N	381.411	2.191	0	1	GEAF	
COC(=O)[C@@H]1C[C@H](Oc2cccc3ccc(-c4nnc5ccccn45)nc23)CN1	96175063	SAVPCTYZGZDSSO-HOCLYGCPSA-N	389.415	2.227	0	1	GEAF	
CCOc1ccc([C@]2(CC)c3[nH]cnc3C[C@H]3C(=O)N4CCC[C@H]4C(=O)N32)cc1	963217480	GLYYLDHZJLXVTM-NPPFBWRTSA-N	394.475	2.220	0	1	GEAF	
CC(C)(C)CC(=O)N[C@@H]1[C@@H](c2cccs2)N(S(C)(=O)=O)CC[C@]1(C)O	2356304590	SUQNHRMNMJQLNP-INMHGKMJSA-N	388.555	2.127	0	1	GEAF	
O=C(NCc1ccccc1Cl)C1CCN(S(=O)(=O)N2CCCC2)CC1	2944269	KODZGOREPPHOBM-UHFFFAOYSA-N	385.917	2.009	0	3	GEAF	
O=C1NCCN1c1ccc(CN2CCN(C3CCCCC3)[C@@H](CCO)C2)cc1	19226853	UORDPQUSPJVMHX-NRFANRHFSA-N	386.540	2.418	0	3	GEAF	
C[C@@H](O)CN(C[C@@H](C)O)c1ccc2nc(O)c(Cc3ccc(F)cc3)nc2n1	766741	JOUGJSXPBYZBBJ-CHWSQXEVSA-N	386.427	2.028	0	1	GEAF	
C[C@@H]1O[C@H](OCCCCCCCCCC[C@H](O)CC(=O)O)[C@@H](O)C[C@@H]1O	2356543798	XUIRIUDIZICRKQ-WSRJKRBPSA-N	376.490	2.206	0	1	GEAF	
COc1cc(-c2nc3c([nH]2)C2=N[C@H](C)CN2C(=O)N3Cc2ccccc2)n(C)n1	72110110	GUQZGHDGKRREHX-GFCCVEGCSA-N	391.435	2.410	0	1	GEAF	
COC(=O)CCC(=O)N1CCC(NC(=O)NC23CC4CC(CC(C4)C2)C3)CC1	36330672	QHDSXIUQMDHLCI-UHFFFAOYSA-N	391.512	2.199	0	1	GEAF	
O=C(c1ccccn1)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2C(=O)CC1CC1	95794485	RFUYWTCVOSCMIJ-CTNGQTDRSA-N	391.471	2.063	0	1	GEAF	
COC(=O)C[C@H]1CC[C@@H](NC(=O)Nc2ccc(C(F)(F)F)cc2)[C@H](CO)O1	95675887	HFDKIVHAHGCNSH-MCIONIFRSA-N	390.358	2.299	0	1	GEAF	
CCNC(=O)c1c(C)sc2nc(Cn3ccc(C(F)(F)F)n3)cc(=O)n12	653850679	IYICRILSRIBTNE-UHFFFAOYSA-N	385.371	2.078	0	1	GEAF	
OC[C@@H](O)[C@H](O)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1	586885654	CTWOGFSOWDLBJX-ZBFHGGJFSA-N	393.237	2.291	0	1	GEAF	
O=C1Cc2c3c(n(-c4cc5cnccc5c(Br)n4)c2O1)OC(=O)C3	587940020	HEQPMXZKVVTJSL-UHFFFAOYSA-N	386.161	2.106	0	1	GEAF	
COc1cc2nc(-c3ccc4c(c3N)CCN(S(C)(=O)=O)C4)[nH]c2cc1C	586955659	RHPQUPHCPQKDOJ-UHFFFAOYSA-N	386.477	2.447	0	1	GEAF	
COC(=O)[C@]1(C)N[C@@H](c2ccc(O)cc2)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21	12497253	BXNIWTHCKAVZLL-RQXXJAGISA-N	394.427	2.082	0	1	GEAF	
COC1CCC2(CC1)Oc1ccc(Br)cc1[C@]21N=C(N)N(C)C1=O	201212459	XFTXOVBUZBRHQH-ATVIMWCOSA-N	394.269	2.151	0	1	GEAF	
CC(=O)CN=c1nc(-c2cccc(C(F)(F)F)n2)[nH]c(=N[C@H](C)C2CC2)[nH]1	1857770950	GZYMCQBNCUYDKE-SNVBAGLBSA-N	380.374	2.008	0	1	GEAF	
CCOCCOC1CCN(c2nc(N)c3cc(OC)c(OC)cc3n2)CC1	5422601	IKENENNCVAKUBU-UHFFFAOYSA-N	376.457	2.251	0	1	GEAF	
COc1ccc2c(c1)cc1c(=O)n(CC(=O)NCCc3ccccc3)nc(C)n12	6749857	LREQKJIWHVWNLV-UHFFFAOYSA-N	390.443	2.325	0	1	GEAF	
C/C=C(/C)C(=O)O[C@@H](C1=C(C)[C@@H](O)OC1=O)[C@@]1(C)[C@H](C)[C@@H]2CC[C@H]1[C@@H](OC)O2	14693989	YEMKZDPASIYASW-POEZBDRXSA-N	394.464	2.480	0	1	GEAF	endogenous,in-man
COC(=O)COc1ccc(OC[C@@H](C)NC[C@@H](O)COc2ccccc2)cc1	29468602	JEELBBUJXGIBEN-IAGOWNOFSA-N	389.448	2.035	0	1	GEAF	
CN1C(=O)[C@H]2[C@@H](N=C(/C=C/c3cccc(Br)c3)N2C)N(C)C1=O	40943743	QOHOUMPHJONRCD-NCRJZKAISA-N	377.242	2.025	0	1	GEAF	
Cc1c(N2C(=O)C(Cl)=C(c3ccc[nH]3)C2=O)c(=O)n(-c2ccccc2)n1C	64437164	PNPWLFUNSIHEEO-UHFFFAOYSA-N	382.807	2.336	0	1	GEAF	
COc1ccccc1[C@H](CNC(C)=O)Nc1ncnc2c(C(N)=O)cccc12	114349792	AJJYRLVECZPGED-INIZCTEOSA-N	379.420	2.027	0	1	GEAF	
N#Cc1ccn([C@@H]2CCN(C(=O)OC3[C@H]4CC5C[C@H]3CC(O)(C5)C4)C2)c(=O)c1	147599464	QNNHPHHJPCSQBA-AFSTWNBGSA-N	383.448	2.043	0	1	GEAF	
CCS(=O)(=O)NCCCc1nc2c(Br)cnc(Cl)c2[nH]1	586942493	MRIDHJFORVGTKF-UHFFFAOYSA-N	381.683	2.246	0	1	GEAF	
CNS(=O)(=O)c1ccc(CCc2nc3cc(C(=O)O)c(F)cc3[nH]2)cc1	586946770	PCSYJYUUASHRGM-UHFFFAOYSA-N	377.397	2.094	0	1	GEAF	
Nc1ncnc2[nH]c(CCC[S@@](=O)c3ccc(Br)cc3)nc12	586960993	RLFMGTWXKFIPDB-JOCHJYFZSA-N	380.271	2.438	0	1	GEAF	
c1cncc(-c2noc(SCc3nc4ccc(-n5cnnn5)cc4[nH]3)n2)c1	586967045	PVSMXIUDYUAPGL-UHFFFAOYSA-N	377.393	2.276	0	1	GEAF	
CC(C)(C)OC(=O)N(Cc1nc2[nH]c(=N)[nH]c(Cl)c-2n1)C[C@@H]1CCCO1	587196715	AWFKUMMMONQVEF-VIFPVBQESA-N	382.852	2.287	0	1	GEAF	
CC(=O)N1CCN(c2ccc(-c3ccc4c(O)nc(O)nc4n3)cc2Cl)CC1	587368882	QXPBAVRFLBPXTP-UHFFFAOYSA-N	399.838	2.425	0	1	GEAF	
CCOC(=O)C(=O)NC[C@@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1	587387167	NPDJQRUETUZPKO-OAQYLSRUSA-N	382.416	2.117	0	1	GEAF	
C[C@@H]1N[C@H](c2ccccn2)NC(=O)[C@H]1CC(=O)N[C@H](C)CCc1ccccc1	618014175	JBZLZGCJZKLIRS-JQZBISMTSA-N	380.492	2.332	0	1	GEAF	
Cc1sc2c(c1C)CCN[C@]2(Cn1nnc(N2CCOCC2)n1)C(C)(C)C	963035165	ZSUCDLNOLYTFDT-IBGZPJMESA-N	390.557	2.275	0	1	GEAF	
Cc1nc(-c2ccccc2)cc([C@@H]2CN3CC[C@H]2C[C@H]3CNS(C)(=O)=O)n1	2356844572	NWRRGNMCMANNRJ-OKZBNKHCSA-N	386.521	2.179	0	1	GEAF	
CN(C)c1ccc([C@@H]2C3=C(O)CCCC3=Nc3c2c(=O)n(C)c(=O)n3C)cc1	100703241	FCYZHDSBIVPIBB-MRXNPFEDSA-N	380.448	2.364	0	1	GEAF	
O=C(Cn1ccc2ccccc2c1=O)NCCC(=O)Nc1ccc(F)cc1F	8591932	NUDYPAFJSZACEE-UHFFFAOYSA-N	385.370	2.425	0	3	GEAF	
O=C(NCc1cccs1)[C@H]1[C@@H]2C(=O)N(Cc3cccs3)C[C@@]23C=C[C@H]1O3	101242273	DXCOMXHKAVHGJW-NNFUDEMPSA-N	386.498	2.408	0	1	GEAF	
CCC(=O)N1CC[C@H](Nc2ncnc3c2CN(c2cnc(OC)c(C)c2)CC3)C1	113567762	CEVKJROQTHRTGX-HNNXBMFYSA-N	396.495	2.174	0	1	GEAF	
CCCSc1ccc([C@H]2N[C@@](C)(C(=O)OC)[C@H]3C(=O)N(CC)C(=O)[C@@H]23)cc1	61959549	FSQSLUGPTBYDLY-AXHMDWHKSA-N	390.505	2.386	0	3	GEAF	
O=C([C@@H]1CC12CCN(C1CCOCC1)CC2)N1CCN(C2CCCC2)CC1	43202371	ALQZUQZQVVJRCB-FQEVSTJZSA-N	375.557	2.354	0	1	GEAF	
Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1csc(N(C)C)n1	140008385	VLRJRFKUJYNZQW-JTQLQIEISA-N	380.499	2.123	0	1	GEAF	
O=C(C1CCC1)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2C(=O)c1ccccn1	95796401	BMHXABSJKWWWIL-VQTJNVASSA-N	391.471	2.063	0	1	GEAF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@@H]3[C@@H](C(=O)O)NC[C@@H]32)N1	587798643	UXGDSONUDOCKIX-MUSXSTAKSA-N	383.261	2.400	0	1	GEAF	
COc1cc2c3c(c1)O[C@@](C)(CN1C(=O)c4ccccc4S1(=O)=O)[C@@H](C2)C3=O	587452136	MDQRJUMUXYLCAE-XOBRGWDASA-N	399.424	2.046	0	1	GEAF	
COc1ccc2c(c1)OC(=O)C[C@@]21N[C@@H](C(=O)O)Cc2c1cnc1ccccc21	963225017	CRSBZRKCVIAGAJ-XMSQKQJNSA-N	390.395	2.395	0	1	GEAF	
Cc1cn2cc(NC(=O)c3c(F)cc(N4CCNCC4)cc3Cl)ncc2n1	1772572288	TYUALYRYQGTGPC-UHFFFAOYSA-N	388.834	2.492	0	1	GEAF	
N=C(N)NCCC(=O)Nc1ccccc1S[C@H](CC(=O)O)c1cccnc1	13589273	AWYVBIFDCLGGIK-OAHLLOKOSA-N	387.465	2.201	0	1	GEAF	
O=C1CCc2c(cccc2N2CCN(C[C@@H](O)CNc3ccccc3)CC2)N1	1857543416	YGOGCBBFVDZKOH-SFHVURJKSA-N	380.492	2.166	0	1	GEAF	
O=C(Nc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)cc1)Nc1nncs1	4177406	VCYGYGXZDLJGCA-IOQCUFBNSA-N	381.417	2.494	0	1	GEAF	
CC(C)NC(=O)C1CCN(C2CCN([C@@H](C)CCn3cccn3)CC2)CC1	20451211	OIGAGQXYGXNODP-SFHVURJKSA-N	375.561	2.363	0	1	GEAF	
C=CCNc1nnc(SCC(=O)N2CCN(c3ccc(O)cc3)CC2)s1	7096607	ADQRWLUVWWRDOQ-UHFFFAOYSA-N	391.522	2.283	0	1	GEAF	biogenic
Cc1c(N2C[C@@H]3C[C@@]3(N)C2)c(F)cc2c(CN)c(Cl)c(=O)n(C3CC3)c12	1911586334	UALCDBWEERFPLS-APBUJDDRSA-N	376.863	2.433	0	1	GEAF	
COc1cccc([C@@H]2C3=C(COC3=O)N(CCO)c3cc4c(cc32)OCO4)c1	198345041	LJSYPLKJTXXEEK-IBGZPJMESA-N	381.384	2.179	0	1	GEAF	
O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2CC2CCCCC2)O1)NCC1CC1	95885626	BDMSGZPXHUILRR-BQJUDKOJSA-N	394.556	2.092	0	1	GEAF	
Cc1c(CC(=O)O)c(O)nn1Cc1ccccc1S(=O)(=O)c1ccccc1	96270510	VYGBUYKFDBCDJZ-UHFFFAOYSA-N	386.429	2.405	0	1	GEAF	
CC(C)(C)c1[nH]cnc1C=c1nc(O)c(=Cc2cccc3cnccc23)nc1O	299816859	VOLBQTLKWHHCEP-UHFFFAOYSA-N	387.443	2.114	0	1	GEAF	
CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)N(CC)C[C@@H]1C(=O)OCC	587477537	RSYFYXAKYIUBQZ-JLTOFOAXSA-N	375.421	2.090	0	1	GEAF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@@H]3[C@@H](C(=O)O)NC[C@H]32)N1	587799488	XJLLHPIFWOALIK-KZABKDFFSA-N	383.261	2.400	0	1	GEAF	
O=C(OCc1ccccc1)N1C[C@@H]2c3cc4c(O)nc(O)nc4nc3C[C@H]2C1	587558901	VBOQDYMAXKWBBI-WFASDCNBSA-N	378.388	2.344	0	1	GEAF	
COc1ccc(OC)c2c1C[C@@H](C)N[C@H]2c1cccc(OCc2nnnn2C)c1	963607675	JXJUQHSMXLDHOG-ASSNKEHSSA-N	395.463	2.430	0	1	GEAF	
O=C(c1ccccc1)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1	13731465	JPMWRBAWKLVCAJ-UHFFFAOYSA-N	377.444	2.285	0	1	GEAF	
N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccnc3cc[nH]c23)CC1	64549301	DTQVYSNEFFXKTJ-MRXNPFEDSA-N	383.883	2.435	0	1	GEAF	
COC1=C(OC)[C@@H]2C(=O)O[C@H]([C@H]3c4cc5c(cc4CCN3C)OCO5)[C@H]2C=C1	2356640461	CRAVBINFWZGLSC-FTNBBQJZSA-N	385.416	2.176	0	1	GEAF	
C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2C[C@@H](O)[C@]2(C)[C@H](C3=CC(=O)NC3)CC[C@@]12O	2356737280	IBMKZSHPOYLMEB-KLFBRAJWSA-N	389.536	2.148	0	1	GEAF	
Cc1cccc(CN2CCN([C@H]3CN(C4CCCCC4)S(=O)(=O)C3)CC2)c1	72138645	GFZSJQAITMYLIK-NRFANRHFSA-N	391.581	2.459	0	3	GEAF	
Cc1c(-c2ccc(N3CCN(C)CC3)nc2)c(=O)oc2c(C=O)c(O)ccc12	221058478	UFLBVAVCMGKVRU-UHFFFAOYSA-N	379.416	2.433	0	1	GEAF	
O=C1[C@H]2C=C(I)[C@H](C[C@H]2OCCCCCCO)[C@]12CO2	195363718	QFMSBBZGQQICDX-HTTKSJEASA-N	392.233	2.231	0	1	GEAF	
CCCCN1CCS(=O)(=O)N(Cc2ccc(Cl)cc2)[C@H](C(=O)OC)C1	96019073	CKMKTHKIHYNKFH-INIZCTEOSA-N	388.917	2.129	0	3	GEAF	
CS(=O)(=O)/C=C/c1nc2c(Br)cnc(Br)c2[nH]1	586922701	BSQZYBDRKRQWEQ-NSCUHMNNSA-N	381.049	2.498	0	1	GEAF	
CCOC(=O)[C@@H]1CNCC[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12	587797404	SHLBVJAFDPHDIX-ZMNCSTGQSA-N	385.277	2.490	0	1	GEAF	
COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2ccc(C(=O)OC)c(OC)c2[nH]1	587231194	MMGYDEPPFRBDPX-STQMWFEESA-N	389.452	2.395	0	1	GEAF	
CCOC(=O)[C@@H]1C(COC(=O)c2ccc3ccccc3c2O)=NC(=O)N[C@H]1C	169691904	AERNAALFHASSPO-ZBEGNZNMSA-N	384.388	2.434	0	1	GEAF	
Cc1noc(C)c1Cn1cc(N2C(=O)CN(Cc3cccc(C=O)c3)C2=O)cn1	115730736	VTSIHWQMRXCCOT-UHFFFAOYSA-N	393.403	2.318	0	1	GEAF	
COC(=O)c1cccn(C[C@@H]2CNCCO[C@H]2c2ccc(Cl)c(F)c2)c1=O	115733230	QNFARVIAWDUFFL-GUYCJALGSA-N	394.830	2.405	0	1	GEAF	
CO[C@H](C)[C@@H]1[C@H]2C[C@H]3C4=Nc5ccccc5[C@@]45C[C@@H]([C@@H]2[C@@H]5OC(C)=O)N3[C@@H]1O	2356566852	XHABFDBTVXEZFH-VCSRBYGLSA-N	382.460	2.018	0	1	GEAF	
CC=C1CN(O)[C@H]2C[C@H]1[C@H](C(=O)OC)[C@]13C[C@@H](OC)O[C@]21Nc1ccccc13	2356868499	XCLDTOXQHMMFCM-PBXGHMNDSA-N	386.448	2.268	0	1	GEAF	
NCC(=O)Nc1ccc(Oc2ccc(S(=O)(=O)C[C@H]3CS3)cc2)cc1	72125931	SSPSTNTXKUWFJP-OAHLLOKOSA-N	378.475	2.265	0	1	GEAF	
O=C(/C=C/c1ccccc1)O[C@@H]1[C@H]([C@@H](O)c2ccccc2)O[C@H]2CC(=O)O[C@H]21	40879590	FHGDRFDHIZAQKE-PJSFGJTJSA-N	380.396	2.428	0	1	GEAF	
COc1ccc(CCNC(=O)c2c(C)n(O)c3ccc(OC)cc3[n+]2=O)cc1	49112266	GVPMKPMOWNTXCQ-UHFFFAOYSA-O	384.412	2.091	0	1	GEAF	
COC(=O)N1c2c(ccc3c2OCO3)[C@]23[C@@H]1CC[C@]14CCCN(C[C@@H]2C(=O)C1)[C@H]34	40461326	UZPRUUKCBFHMHH-LIHVANJYSA-N	396.443	2.455	0	1	GEAF	
COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)C1CC1)CC31CCN(C)CC1	95865852	UQCLATBWEQSOCI-LJQANCHMSA-N	397.519	2.436	0	1	GEAF	
O=C(O)c1cc(F)cc2nc(-c3nccnc3I)[nH]c12	587185851	ARFLIFUVRFIYKE-UHFFFAOYSA-N	384.108	2.462	0	1	GEAF	
CN1C(=O)C2=C(C1=O)N(CC(=O)Nc1ccc(-c3nccs3)cc1)CCC2	1772647581	VTOSQZJXSCCBQX-UHFFFAOYSA-N	382.445	2.097	0	1	GEAF	
Cn1cc(CCNC(=O)[C@H]2CCC(=O)N(CCc3ccc(Cl)cc3)C2)cn1	12760490	HLOVSPTULVFQQT-KRWDZBQOSA-N	388.899	2.214	0	3	GEAF	
O=C(NN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@@H]2C1=O)[C@@H]1C[C@H]31)c1cccc(Br)c1	169347238	IYWDNVOMIGEONH-JNWWKETESA-N	387.233	2.147	0	1	GEAF	
O=C(NC1CC1)c1cnn2ccc(N3C[C@H](O)C[C@@H]3c3cccc(F)c3)nc12	169704148	DHEFBJXZYSKWIF-NVXWUHKLSA-N	381.411	2.073	0	1	GEAF	
COc1ccc(NC(=O)C[C@]2(C)N=C(c3ccc4c(c3)OCO4)N(C)O2)cn1	206018907	GOTWKDQPVQQYCP-LJQANCHMSA-N	384.392	2.188	0	3	GEAF	
CCCc1nc2nc(C)c(NS(=O)(=O)c3ccc(F)c(C)c3)c(O)n2n1	9560727	UUEJOYQCFYTCPF-UHFFFAOYSA-N	379.417	2.339	0	1	GEAF	
O=C(O)c1cc(C[C@H]2CNCC[C@H]2CC(=O)N2CCc3ccccc3C2)no1	15672797	LZHCRWCBMYGRBV-RDJZCZTQSA-N	383.448	2.116	0	1	GEAF	biogenic
NC(=O)Nc1sc2c(c1C(N)=O)CCc1c-2cnn1Cc1ccc(F)cc1	66066147	GGYBQVWAOCXCDJ-UHFFFAOYSA-N	385.424	2.487	0	1	GEAF	
O=c1[nH]c(Cc2ccccc2-n2cccn2)nc2c1cnn2C1CCOCC1	169699881	XYSFXVOKJYDSCY-UHFFFAOYSA-N	376.420	2.248	0	1	GEAF	
O=C1CN(c2cccc(Cl)c2)CCN1C[C@@H](O)CN1CCc2ccccc2C1	209694261	MNYWSKLJFHPLPG-NRFANRHFSA-N	399.922	2.408	0	1	GEAF	
Cc1nc2cccc(-c3cc4c([nH]3)CCNC4=O)c2nc1NC(C)(C)C(=O)O	222389496	ANJVMJRVHWNWEU-UHFFFAOYSA-N	379.420	2.494	0	1	GEAF	
CC(=O)OCCCC[C@@H](C)[C@H](OC(=O)[C@H](C)OC(C)=O)[C@H](C)COC(C)=O	238770260	CVXBSCIZJSRZCZ-ZXTQRBJTSA-N	388.457	2.419	0	1	GEAF	
O=C(N[C@H](Cc1nc2cccc(C(=O)O)c2[nH]1)C(=O)O)OCc1ccccc1	587203702	RRJUPMBNSNMDAA-CQSZACIVSA-N	383.360	2.183	0	1	GEAF	
O=C(Nc1cccc(F)c1)N[C@@H]1[C@H]2CO[C@@H](O2)[C@@H](n2cnc3ccccc32)[C@@H]1O	2356296108	KLNOHYONKDXGIH-FQBWVUSXSA-N	398.394	2.023	0	1	GEAF	
COc1ccc(CN[C@@H]2C[C@H](O)[C@@H](CO)[C@H]2Cc2ccnc(C(C)(C)C)n2)cc1	2356499750	JKTOMNQSHFGRPL-MHTWAQMVSA-N	399.535	2.473	0	1	GEAF	
O=C(N[C@@H]1CO[C@H]2[C@@H](n3cc(-c4ccccc4)nn3)CO[C@@H]21)c1ccccc1	2356829633	JAPQAMUHOQNTPU-WCIQWLHISA-N	376.416	2.082	0	1	GEAF	
COc1cc2nc(NCCCCNC(=O)c3ccco3)nc(N)c2cc1OC	27634437	YMXJHMZDAGEADF-UHFFFAOYSA-N	385.424	2.444	0	1	GEAF	
Cn1ncc(N2CC[C@@H](CNC(=O)c3cccc(-c4ccco4)c3)C2)cc1=O	23620160	VKWIVZADMLFSNR-HNNXBMFYSA-N	378.432	2.297	0	1	GEAF	
COc1c2c(cc3c1OCO3)[C@@H]1[C@H](c3ccc4c(c3CN1C)OCO4)[C@H](O)C2	2356566821	VVBOWTYRWIESFW-ZTFGCOKTSA-N	383.400	2.340	0	1	GEAF	
COC(=O)[C@H]1[C@H]2C[C@H]3[C@H]4Nc5cccc(OC)c5[C@H]4CCN3C[C@H]2CC[C@H]1O	2356780423	WHOUHQRGRVIKFB-MSCXGTTQSA-N	386.492	2.227	0	1	GEAF	
O=C(O)Cc1ccc(OC[C@](O)(Cn2cncn2)c2ccc(F)cc2F)cc1	72114129	CCAAJVLYTJBPIT-LJQANCHMSA-N	389.358	2.150	0	1	GEAF	
CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@H](C)NC[C@@H]1C	95679686	MLEIFZNHXKEZCN-CKFHNAJUSA-N	389.496	2.129	0	1	GEAF	
CC(C)C(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)O)O[C@H]1CO2	95891910	JZXHOMCODGESNA-KMFMINBZSA-N	390.436	2.136	0	1	GEAF	
C/C=C1\CN(C)[C@H]2Cc3c([nH]c4ccccc34)C(=O)C[C@H]1[C@]2(CO)C(=O)OC	238734841	CZRUSFCSECMUDS-HLQKQBNMSA-N	382.460	2.325	0	1	GEAF	
Nc1ccnc2[nH]c(CCNS(=O)(=O)c3c(Cl)cccc3Cl)nc12	586942585	OASQANIGCGPUMM-UHFFFAOYSA-N	386.264	2.368	0	1	GEAF	
COc1ccc2nc(Cn3cc(I)c(C(=O)O)n3)[nH]c2c1	587184490	AAUFFKRLSJUYRH-UHFFFAOYSA-N	398.160	2.119	0	1	GEAF	
COc1ccc(S(=O)(=O)N[C@H](c2nc3cccc(F)c3[nH]2)[C@H](C)O)cc1	586938832	RMDLKYGCPKQZLX-BONVTDFDSA-N	379.413	2.111	0	1	GEAF	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnn([C@]3(C)CCS(=O)(=O)C3)c1)O2	587410481	NPMHNPGNNXGZRB-FUHWJXTLSA-N	375.450	2.014	0	1	GEAF	
C[C@]1(c2cnc3sccn3c2=O)N[C@H](C(=O)O)Cc2c1cnc1ccccc21	963228216	NZHQCWCNLZKNRU-JXFKEZNVSA-N	392.440	2.167	0	1	GEAF	
COc1ccc(CNCc2cc(C)no2)cc1OC[C@H](O)CN1CCCC1	12756598	YGEHUSSSXHDQTM-QGZVFWFLSA-N	375.469	2.117	0	1	GEAF	
CNc1cc(C(=O)O)nc2c(-c3cc(F)ccc3O)nc(N3CCOCC3)nc12	169698805	GHPIFLKTIVZNBX-UHFFFAOYSA-N	399.382	2.113	0	1	GEAF	
O=C(Nc1ccccc1C(=O)NCCN1CCOCC1)c1ccc(F)cc1F	1857554034	WHVGJYVOZFVPMQ-UHFFFAOYSA-N	389.402	2.279	0	1	GEAF	
CNS(=O)(=O)c1ccc(CCNC(=O)c2c(Cl)cccc2OC)cc1	1857771940	NNLJEKZWUAAIHO-UHFFFAOYSA-N	382.869	2.229	0	1	GEAF	
CC=C(C)C(=O)O[C@@H]1C[C@H]2C[C@@H](OC(=O)[C@H](CO)c3ccccc3)C[C@H]1N2C	2356331741	OPGJHCLCUNWOSH-LASHMREHSA-N	387.476	2.419	0	1	GEAF	
COc1cc(OC)nc([C@H](O)c2ccccc2NS(=O)(=O)C/C=C/Cl)n1	103168998	JTCFCJLCJDDLMJ-SBJJXXPASA-N	399.856	2.070	0	1	GEAF	
CC(C)(Cc1ccccc1)NC[C@H](O)COc1ccccc1S(C)(=O)=O	28564857	BDLZLBCJXJHQCP-KRWDZBQOSA-N	377.506	2.441	0	1	GEAF	
CC1(C)CCC[C@]2(C)[C@@H]1[C@@H](OC(=O)C=CC=CC(=O)O)C=C1COC(=O)[C@]12O	2356424845	WWELYLJKFRXUQW-VBYRIGCOSA-N	390.432	2.156	0	1	GEAF	
C[C@@H](NC(=O)c1cccc(C(F)(F)F)c1Cl)C(=O)C(=O)Nc1cc[nH]n1	64560049	IGBRTMNMZLDZHD-SSDOTTSWSA-N	388.733	2.408	0	1	GEAF	
CCCCCC(=O)OC[C@H]1OC(=O)N[C@@H]1CN1CCN(c2ccccc2)CC1	72105315	KXLVTQDSHAKQNZ-RTBURBONSA-N	389.496	2.409	0	1	GEAF	
O=C(CN1COc2cc3c(cc2C1=O)O[C@H]1CCCN1C3=O)c1ccccc1	72126088	YUVDEHLBXSVMPH-IBGZPJMESA-N	378.384	2.316	0	1	GEAF	
C/C=C/c1ccc([C@H]2[C@@H](CNC(=O)C3CC3)N(C(=O)NCCC)[C@H]2CO)cc1	95895611	NJQPGASMIDWZCK-VNGCLEENSA-N	385.508	2.494	0	1	GEAF	
C[C@]1(F)CCN(c2nc(-c3cnc(N)c(F)c3)cc(N3C[C@@H]4C[C@H]3CO4)n2)C1	653765545	PYFZRCPCUIVIOU-JMERFSKESA-N	388.422	2.176	0	1	GEAF	
Cc1cc(N)c2c(c1)C(=O)C[C@@](CN1CCOCC1)(c1c(C)nn(C)c1C)O2	587389333	HLJCSNXRAXUQLH-OAQYLSRUSA-N	384.480	2.120	0	1	GEAF	
O=C(O)c1cc2n(n1)CCC[C@]21N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21	962971148	SOSBDLZATRLJIJ-BTDLBPIBSA-N	397.765	2.149	0	1	GEAF	
Cc1cc(CNC(=O)[C@@]2(C(F)(F)F)C[C@@H](CCCO)CCCO2)nn1C	13829132	NMKGXEKUYCZOQN-XJKSGUPXSA-N	377.407	2.235	0	3	GEAF	
NC(=O)COc1ccccc1CNC[C@H](O)c1cc(Br)cs1	14966937	QZUPAPSTAHZYQS-LBPRGKRZSA-N	385.283	2.198	0	1	GEAF	
COc1ccc(S(=O)(=O)N2C(=O)N[C@@]3(CCCc4ccccc43)C2=O)cc1	1857612762	KQNAXJYPBMYCPP-LJQANCHMSA-N	386.429	2.168	0	1	GEAF	
COc1ccc(S(=O)(=O)N2CCC(O)(c3ccc4c(c3)OCO4)CC2)cc1	4967641	BUDFANUFCSCKII-UHFFFAOYSA-N	391.445	2.096	0	3	GEAF	
O=S(=O)(NC12CCC(c3nnc4cnc5[nH]ccc5n34)(CC1)CC2)C1CC1	116463345	WTNQUKSGIJHWKG-UHFFFAOYSA-N	386.481	2.032	0	1	GEAF	
COC(OC)[C@H]1CSCN1C(=O)[C@H]1CCCN1C(=O)OCc1ccccc1	28259538	KONWGJHQYGFCBA-HZPDHXFCSA-N	394.493	2.308	0	1	GEAF	
CCOC(=O)CCn1c(=O)c(=O)[nH]c2cc(C(F)(F)F)c(-n3cccc3)cc21	26723634	WZPYIZVVSNKZBT-UHFFFAOYSA-N	395.337	2.453	0	1	GEAF	
CS(=O)(=O)c1cnc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1N	27869968	DUJMRSLPAGRVTA-UHFFFAOYSA-N	398.423	2.061	0	1	GEAF	
O=C(Cn1cccc(NCc2ccccc2)c1=O)N[C@H](CO)Cc1ccccc1	43076822	LTFHMAVDXSOXJH-FQEVSTJZSA-N	391.471	2.180	0	1	GEAF	
COC(=O)Nc1nc(N(C)C)c(C(=O)c2ccc(S(C)(=O)=O)cc2)s1	40845186	KGTRWDREFZVWMN-UHFFFAOYSA-N	383.451	2.022	0	1	GEAF	
C[C@@H]1OC=C(C(=O)O)[C@H]2C[C@H]3c4[nH]c5ccc(O)cc5c4C[C@@H](C(=O)O)N3C[C@@H]12	238784877	XCHQOAXKIOZNDD-NUEXOINESA-N	398.415	2.249	0	1	GEAF	
CCCN1[C@H](C(=O)N(C)C)[C@@H](CO)[C@@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@@H]21	95864531	AZBYMCABARNOLK-MMKMLUHNSA-N	399.535	2.268	0	1	GEAF	
COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2ccc(S(C)(=O)=O)cc2[nH]1	587231520	XTUIGQWLOBUAKC-UONOGXRCSA-N	379.482	2.003	0	1	GEAF	
CCOC(=O)[C@@H]1CS(=O)(=O)CC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3	587530308	FESLCXAKBGWZSY-OXJNMPFZSA-N	392.473	2.267	0	1	GEAF	
Cc1nn(C)c(C)c1[C@]1(C(N)=O)N[C@H](C)Cc2ccc(F)c(Br)c21	587754128	CTGADOIPRPBKAZ-RBHXEPJQSA-N	395.276	2.202	0	1	GEAF	
C[C@]1(c2ccc(O)c(CCO)c2)N[C@@H](C(=O)O)Cc2c1cnc1ccccc21	963220748	ILOFWISFHYSNND-DENIHFKCSA-N	378.428	2.338	0	1	GEAF	
O=C(/C=C/c1cccnc1)Nc1ccc(S(=O)(=O)N2C[C@@H]3CC[C@H](C2)O3)cc1	1772578940	IJHMCYKWLLQKGD-LEFGRBFASA-N	399.472	2.285	0	1	GEAF	
Cc1cc(=O)n2nc(N3CCC(C(=O)NC4CCC(C)CC4)CC3)sc2n1	5148948	XNXBUGCNTHBNGG-UHFFFAOYSA-N	389.525	2.371	0	3	GEAF	
COc1ccc2c(c1)C[C@@H](N1CCN(c3cccc4c3OCCO4)CC1)[C@@H]2O	13471777	GMBUBVLUQFAQMU-TZIWHRDSSA-N	382.460	2.247	0	1	GEAF	
O=C1c2[nH]c3cc(-c4ccco4)nn3c(=O)c2CN1Cc1ccc2c(c1)OCO2	102168923	XAJSMWPRUSLEEX-UHFFFAOYSA-N	390.355	2.167	0	1	GEAF	
CCNC[C@@H]1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(CCF)c3c2F)C1	25963112	DYJAOVPMMTZXCS-NSHDSACASA-N	397.397	2.383	0	1	GEAF	
O=C(Nc1cnn(S(=O)(=O)c2cc(F)c(F)c(F)c2)c1)c1ccccn1	116776460	ICXBBHNYYCVIBN-UHFFFAOYSA-N	382.323	2.185	0	1	GEAF	
COC(=O)C1=CO[C@H](C)[C@@H]2CN3CC[C@]4(C(=O)Nc5ccc(OC)cc54)[C@H]3C[C@@H]12	2356598183	HSEWZVYXOFZIMV-JLXCYSRLSA-N	398.459	2.071	0	1	GEAF	
CC(=O)c1ccc(NC(=O)O[C@@H]2CO[C@@H]3[C@@H](NCc4ccco4)CO[C@H]23)cc1	4236519	DYYBIHOHWKCXMM-WJFTUGDTSA-N	386.404	2.355	0	1	GEAF	biogenic
CN(CCc1ccccc1)Cc1cn(C[C@@H](O)COC(=O)c2ccccc2)nn1	73197305	LGPBDXPQABVBIL-OAQYLSRUSA-N	394.475	2.171	0	1	GEAF	
CC(C)c1ccc([S@]2=NS(=O)(=O)c3cc(S(N)(=O)=O)ccc32)cc1	73389671	QOGSHIYDRIMKFH-QFIPXVFZSA-N	384.504	2.380	0	1	GEAF	
COc1ccc([C@@]2([C@@]34C[C@H]5C[C@@](O)(C[C@@](F)(C5)C3)C4)NC(=N)N(C)C2=O)cc1	1911586196	ZTMMGDFSHICYDN-CCIWUZJWSA-N	387.455	2.310	0	1	GEAF	
CCN(C[C@@H]1N[C@H](CO)[C@H]1c1ccc(-c2ccc(F)cc2)cc1)C(=O)COC	95895738	JTUOZIKDJHIQCB-VWPQPMDRSA-N	386.467	2.404	0	1	GEAF	
CCOC(=O)[C@@H]1CNCC[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12	587789233	ANGXUXRDCCCBEB-SVKFGRERSA-N	385.277	2.490	0	1	GEAF	
O=C1CCC[C@@H](c2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)CC1	586884040	GINDFUNZRIMITJ-CYBMUJFWSA-N	377.466	2.201	0	1	GEAF	
COc1ccc(S(=O)(=O)N[C@H](c2nc3cccc(C)c3[nH]2)[C@H](C)O)cc1	586937317	SRDWQQDCFBKCKE-SJCJKPOMSA-N	375.450	2.280	0	1	GEAF	
C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc(C(F)(F)F)cnc2[nH]1	586957581	CDAGSZJIOUOEIZ-AWEZNQCLSA-N	386.355	2.446	0	1	GEAF	
CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=S)NCC(=O)NC	587866082	DUVNLVYFTBMQLJ-UHFFFAOYSA-N	386.399	2.436	0	1	GEAF	
COc1ccc(S(=O)(=O)N[C@@H](c2nc3cc(Cl)ncc3[nH]2)[C@H](C)O)cc1	586938323	QFKHEOKOLSACCI-BJOHPYRUSA-N	396.856	2.020	0	1	GEAF	
Nc1ncnc2c1c(-c1ccc3c(c1)OCO3)cn2[C@H]1CCN(C2COC2)C1	1857589012	XCEVHWSBFMZSIR-ZDUSSCGKSA-N	379.420	2.055	0	1	GEAF	
Cc1[nH]c(C(=O)O)c2c1-c1[nH]c(=O)c(S(=O)(=O)c3ccccc3)cc1CC2	103073113	APLRORAVIIESQQ-UHFFFAOYSA-N	384.413	2.308	0	1	GEAF	
O=C(O)c1sc(Br)c(Br)c1OCc1nnn[nH]1	28886770	NLPCWORVKRHQFL-UHFFFAOYSA-N	384.009	2.063	0	1	GEAF	
COc1ccc(CCNC[C@H](O)COC(=O)c2cccc(F)c2)cc1OC	25970890	KMAYGCQZUYYMPJ-KRWDZBQOSA-N	377.412	2.193	0	1	GEAF	
C[C@@H]1CNC(=O)c2[nH]c3ccc(C(=O)Nc4nc(C(=O)N(C)C)cs4)cc3c21	28902314	YYUBEGXSKPJDCK-SECBINFHSA-N	397.460	2.425	0	1	GEAF	
Cn1ccnc1CN1C[C@H]2C[C@H]1C(=O)N(Cc1ccccn1)c1ccccc1O2	2356736818	RUNAJKILOKVBGI-MJGOQNOKSA-N	389.459	2.384	0	1	GEAF	
O=C(NCc1ccccc1)N[C@@H]1CO[C@H]2[C@H]1OC[C@H]2OC(=O)Nc1ccccc1	2356866986	VQBVRAQRFNRYIG-AKHDSKFASA-N	397.431	2.269	0	1	GEAF	
CC(C)(C)OC(=O)NC[C@@]12C=C[C@H](O1)[C@@H]1C(=O)N(Cc3ccccc3)C(=O)[C@@H]12	136031890	JAHLICDNLQVRJG-GXYOHSSGSA-N	384.432	2.020	0	1	GEAF	
CC[C@@H]1OC(=O)[C@H](C)[C@H](O)[C@H](C)C(=O)[C@H](C)C[C@@H](C)C(=O)[C@@H](C)[C@@H](O)[C@@H]1C	238742122	BFPPCOBUKUWWOH-ZXFIYEIJSA-N	384.513	2.389	0	1	GEAF	
CN(C)C[C@@H]1Cc2ccccc2[C@@]2(C)C[C@@]3(C(=O)Nc4cc(N)ccc43)C(=O)N12	473119583	BBEMROZPMRTNPN-PBNUPURSSA-N	390.487	2.093	0	1	GEAF	
C[C@]1(COc2ccc(OC(F)(F)F)cc2)Cn2c(S(C)(=O)=O)cnc2O1	653743783	SLIUMMZUQAMWFO-CQSZACIVSA-N	392.355	2.415	0	1	GEAF	
COc1ccc(-c2nc3c(O)nc(O)nc3[nH]2)c(I)c1	587180690	XAJSVIQLUKOLBN-UHFFFAOYSA-N	384.133	2.044	0	1	GEAF	
C[C@H](/C=C/C(=O)O)[C@]1(C(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	587601689	FKUZAFHHCFLXBV-YJTQKQIUSA-N	384.340	2.454	0	1	GEAF	
COC(=O)[C@@H]1CSCc2c(O)cc(OC)c(C)c2C(=O)OCC/C(S)=N/1	13559804	RSVUXIVBDLJSJJ-NSHDSACASA-N	399.490	2.373	0	1	GEAF	
COCCCOc1cc([C@@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)ccc1OC	203694270	JLHLQWGXBDSHDU-FOIQADDNSA-N	392.496	2.151	0	1	GEAF	
CCNCc1cc2cc3c(cc2n1C)NCCc1c-3[nH]c(=O)c(C(=O)O)c1O	142969889	NWFSTWVQCRIQTO-UHFFFAOYSA-N	382.420	2.015	0	1	GEAF	
CC1(N(C[C@@H](O)Cn2c3ccccc3c3ccccc32)S(C)(=O)=O)COC1	148592616	VEZDMIMSGPNWTR-HNNXBMFYSA-N	388.489	2.206	0	1	GEAF	
O=c1[nH]cccc1Nc1ncc2[nH]c(=O)n([C@@H]3CCOc4c(F)cccc43)c2n1	150269281	CJQKVLAROVGJQO-CQSZACIVSA-N	394.366	2.063	0	1	GEAF	
CCNC(=O)N1CCc2c(cnc(C)c2-c2noc([C@H]3CCN(CC)C3)n2)C1	20138037	SLRDHTXXIYUOGJ-AWEZNQCLSA-N	384.484	2.337	0	1	GEAF	
COc1cc(C[C@H](O)[C@@H]2C[C@H](O)C[C@H](c3ccc(O)c(OC)c3)O2)ccc1O	2356549937	MWUQQAZSIPSFMW-IZQPOCBFSA-N	390.432	2.300	0	1	GEAF	
COCCNc1nc(-c2ccc(C3(O)CCC3)cc2)cc2ncn(C)c(=O)c12	115624321	BVEFUCYPGDTKII-UHFFFAOYSA-N	380.448	2.425	0	1	GEAF	
COc1ccc2c(c1)OC[C@H]1[C@H]2N2C(=O)CNC(=O)[C@@]2(C)[C@H]1c1ccccc1	61948823	HCYQBHOYSQWDID-MOFCZTIZSA-N	378.428	2.259	0	3	GEAF	
CC(=O)Nc1nc2ccc(-c3ccnc(OCCN4CCOCC4)n3)cc2s1	71319048	CLAVZRBREGWPLO-UHFFFAOYSA-N	399.476	2.423	0	1	GEAF	
COc1cc(Br)cc([C@H]2C3=C(COC3=O)Nc3[nH]ncc32)c1O	71295244	TXLSUYWLDFEJHY-LLVKDONJSA-N	378.182	2.255	0	1	GEAF	
Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2ccc(N3CCOCC3)nc2)n1	72122816	ODZRXFJPWYFSAX-UHFFFAOYSA-N	376.424	2.403	0	1	GEAF	
COCCN1C(=O)[C@]2(N=C1N)c1cc(Cl)ccc1CC21CCC(OC)CC1	139433503	CFTNYXVUJWVMSN-RGKRWLCDSA-N	391.899	2.470	0	1	GEAF	
CCC(=O)O[C@@H]1CN2Cc3c(cc4c(c3OC)OCO4)[C@@]13C=C[C@H](OC)C[C@H]23	1911581268	OEQIACMXZJPJNX-VPKASPSASA-N	387.432	2.156	0	1	GEAF	
COc1nc(-c2cc(F)ccc2[C@H]2Cc3nc(N)nc(C)c3C(=O)N2)cnc1C	299823659	RWORIWVOIKMLHF-CQSZACIVSA-N	394.410	2.308	0	1	GEAF	
CCCc1c(O)ccc2c1O[C@@](CC(=O)C(=O)OC)(c1cnn(C)c1)CC2=O	587476214	QGWDGXHBEHISQZ-FQEVSTJZSA-N	386.404	2.071	0	1	GEAF	
Cc1oc(CNS(C)(=O)=O)cc1-c1nc2ccnc(Br)c2[nH]1	586944521	LJXLYMMYZJRMMN-UHFFFAOYSA-N	385.243	2.338	0	1	GEAF	
Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2ccnc(O)c2[nH]1	586945701	KMIYHWTXVGHDEJ-GFCCVEGCSA-N	388.449	2.096	0	1	GEAF	
CCOC(=O)C1=CN(C2CC2)C(=O)C[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3	587440991	CMIOPJNFKQQCPG-SPLOXXLWSA-N	383.400	2.023	0	1	GEAF	
Cc1c2c(nn1C)[C@H](c1ccc(OCCCCN(C)C)cc1)N[C@H](C(=O)O)C2	962710130	LAZDQKJTWGLWEN-OALUTQOASA-N	386.496	2.137	0	1	GEAF	
COc1ccc(-n2cc(COC(=O)[C@@H](N)Cc3cc4ccccc4[nH]3)nn2)cc1	1772645800	MYCBSCHTBUKTNJ-IBGZPJMESA-N	391.431	2.370	0	1	GEAF	
C[C@@H](c1nc(O)c2cnn(C3CCOCC3)c2n1)N1CC(Oc2cccnc2)C1	1772617621	DTBVEEDXIDMORK-ZDUSSCGKSA-N	396.451	2.103	0	1	GEAF	
O=C(Nc1cc(Cl)ccc1N1CCC[C@@H](CO)C1)c1cnn2nccnc12	1772645575	RWBHZRIUSNZKMG-GFCCVEGCSA-N	386.843	2.239	0	1	GEAF	
Cc1nc([C@@H]2CCOC2)c2c(N3CCc4c(c(C(C)C)nn4C)C3)ncnn12	169711716	JQNFABHCPGZYEE-CQSZACIVSA-N	381.484	2.356	0	1	GEAF	
C[C@H](C(=O)NCCc1ccccc1)N1Cc2ccc(-c3ccnn3C)nc2C1=O	206019013	ZSVGKSCRNGLIPE-OAHLLOKOSA-N	389.459	2.185	0	3	GEAF	
Cc1cc2nccn2cc1Nc1ncc2c(n1)n(C1CCOCC1)c(=O)n2C	1857573063	KNEMNCXYOJXMIS-UHFFFAOYSA-N	379.424	2.181	0	1	GEAF	
COc1ccc(/C=c2/sc3n(c2=O)CN(c2ccc(Cl)cc2)CN=3)cc1	1137769	CEPZIRGVYPRXDU-LICLKQGHSA-N	385.876	2.455	0	1	GEAF	
COCc1cc(C[C@@H]2CC[C@@H](O)[C@H](CNC(=O)Nc3ccccc3)O2)no1	2356287166	DDTOIUXWFJLRJF-JQHSSLGASA-N	375.425	2.094	0	1	GEAF	
O=C1[C@@]2(CO2)[C@@H]2C[C@H](c3ccccc3)[C@]1(CO)C=C2I	101672747	SFZSRBJFXQJCMU-CZPYZCIJSA-N	382.197	2.439	0	1	GEAF	
O=C(C=Cc1ccccc1)O[C@H](c1ccccc1)[C@@H]1O[C@@H]2CC(=O)O[C@@H]2[C@H]1O	2356589357	GDYNBHXFRSGEGM-CNPJFBIHSA-N	380.396	2.428	0	1	GEAF	
Cc1nc(N)nc2c1cc(-c1cnc3[nH]ccc3c1)c(=O)n2C[C@H]1CCCO1	117702877	FTLUSDJTXDOWEA-CQSZACIVSA-N	376.420	2.404	0	1	GEAF	
Cc1ccc(NC(=O)[C@H]2[C@@H]3C=C[C@]4(CN(Cc5cccnc5)C(=O)[C@@H]24)O3)cc1	195410228	KKELNQXQWMMKDJ-PSHVLCQKSA-N	375.428	2.311	0	1	GEAF	
Nc1nc2ccccc2nc1NCC(=O)NC1CCN(Cc2ccccc2)CC1	82155057	DGEIRSMNKQIVMM-UHFFFAOYSA-N	390.491	2.405	0	1	GEAF	
Cc1nc(N)sc1C(=O)N1CCC[C@H](c2nccn2CCCN(C)C)C1	95524723	HFNMHQMIQONYDU-AWEZNQCLSA-N	376.530	2.202	0	1	GEAF	
O=C(C1CC1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(-c3ccccc3F)cc1)[C@@H]2CO	95797499	QETWDIOFYADYNM-RZUBCFFCSA-N	394.446	2.400	0	1	GEAF	
CNC(=O)c1cccc(-c2cccc(Cc3nc4c(O)nc(O)nc4[nH]3)c2)c1	587236177	UEUJXYMNOWPQGP-UHFFFAOYSA-N	375.388	2.382	0	1	GEAF	
N=c1[nH]cc2nc(CCC[S@](=O)c3ccc(Br)cc3)nc-2[nH]1	586960228	NFOJOQCXMOXFBE-QFIPXVFZSA-N	380.271	2.220	0	1	GEAF	
CC(=O)N(c1nc([C@@H]2N[C@H](C(=O)O)Cc3cc(F)ccc32)cs1)C1CC1	962902747	LWQNCNMVZZWVND-GOEBONIOSA-N	375.425	2.486	0	1	GEAF	
Cc1ccnc2c1CCN[C@H]2[C@H]1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1	963069500	NAINMHSJJPQVGL-YJBOKZPZSA-N	388.512	2.340	0	1	GEAF	
O=C(N[C@H]1CCS(=O)(=O)C1)c1ccc2c(-c3nc4ccccc4[nH]3)n[nH]c2c1	1772629662	IDWQFWIOKHDUCA-LBPRGKRZSA-N	395.444	2.023	0	1	GEAF	
O=C(Cc1ccc(Cl)c(Cl)c1)N1CCO[C@@H]2CNC[C@H](N3CCCC3)[C@@H]21	1857755665	JMSHYBARLFGBPR-SCTDSRPQSA-N	398.334	2.200	0	1	GEAF	
C[C@H](CSC(=O)[C@@H](C)NC(=O)C1CCCCC1)C(=O)N1CCC[C@@H]1C(=O)O	3831154	QIJLJZOGPPQCOG-UMVBOHGHSA-N	398.525	2.043	0	1	GEAF	
COC(=O)[C@]1(c2ccc(OC)cc2)C[C@@H]1CN1CCN(c2ccccn2)CC1	28604336	WNFYENWICXMXHB-GCJKJVERSA-N	381.476	2.343	0	1	GEAF	
CCNC(=O)c1ccc(C)c(N2C[C@@H]3N=C(NC4CCCC4)S[C@H]3C2=O)c1	29041473	RSSZRZUNYKIVBY-DOTOQJQBSA-N	386.521	2.464	0	1	GEAF	
CC(C)(C)c1cc(NC(=O)N2CCCN(C(=O)C3CCOCC3)CC2)[nH]n1	71329191	VEKIZUXKGBGSGF-UHFFFAOYSA-N	377.489	2.200	0	1	GEAF	
Cc1ccc(C(=O)Nc2ccc3c(c2)[C@@]2(CC(C)(C)O3)N=C(N)N(C)C2=O)o1	95604414	YSKSBTBSQASAMG-HXUWFJFHSA-N	382.420	2.383	0	1	GEAF	
CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN[C@@H](C)CO2	95688781	NSJHBAKZFARZIY-GLJUWKHASA-N	377.485	2.129	0	1	GEAF	
CC(C)c1cn(CC[C@@H]2CC[C@H](NC(=O)C3CCCCC3)[C@@H](CO)O2)nn1	95904419	IVOJAZGHNQZOGY-JENIJYKNSA-N	378.517	2.397	0	1	GEAF	
COc1ccc(Nc2nc(-c3ccncc3)ncc2-c2nc(C)nc(N)n2)cn1	113236953	JNGVMVYDIBKONG-UHFFFAOYSA-N	387.407	2.428	0	1	GEAF	
CSc1nn(-c2ccccc2)c2cc(C(=O)C(=O)N3CCNCC3)ccc12	169706055	RHEHFXCHZCUASM-UHFFFAOYSA-N	380.473	2.362	0	1	GEAF	
N=C(N)c1ccc([C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3[C@H]3CCCN23)cc1	473121644	QKVYJJDWLBNNSF-IYWMVGAKSA-N	388.471	2.291	0	1	GEAF	
COc1cc2nc(CCNS(=O)(=O)c3ccc(Cl)nc3)[nH]c2cc1C	586941820	BYHRJCIOPHTEIH-UHFFFAOYSA-N	380.857	2.449	0	1	GEAF	
CN(C)/C=C1\C[C@H](NC(=O)OC(C)(C)C)Cc2cc3c(O)nc(O)nc3nc21	587553052	FIOBQYZUWCQOIT-LMMOQWNQSA-N	387.440	2.178	0	1	GEAF	
N=C1N[C@H]2c3c([nH]c(Br)c3Br)C(=O)[C@H]3CCC[C@@]32N1	1772612155	QCTMVVYAIZQRDR-RHPWXKKZSA-N	388.063	2.444	0	1	GEAF	
CN1[C@H]2COC[C@H]1CC(NC(=O)c1cn(-c3nccs3)c3ncccc13)C2	1772657465	VTAGWRFJHNFESD-ZIAGYGMSSA-N	383.477	2.073	0	1	GEAF	
CCn1cc(-c2cc(OC)cc(S(=O)(=O)c3cnc(CN)s3)c2)cn1	1857578277	FUQHJEKHURTPJR-UHFFFAOYSA-N	378.479	2.327	0	1	GEAF	
CCC(CC)O[C@@H]1C=C(C(=O)NCc2ccc(C)cc2)C[C@H](N)[C@H]1NC(C)=O	1857630147	HCIUKWLXWGPXBC-PWRODBHTSA-N	387.524	2.347	0	1	GEAF	
O=C(Nc1ccc(F)cc1)N[C@@H]1[C@H]2CO[C@@H](O2)[C@@H](n2cnc3ccccc32)[C@H]1O	2356297193	PTLBYZBTQGUEIF-GFEQUFNTSA-N	398.394	2.023	0	1	GEAF	
C[C@]1(CO)CN(Cc2ccccc2)C[C@H]2CN(C(=O)Cc3ccccc3)CCN21	2356303334	QSRAXLIKHQWSMY-LADGPHEKSA-N	393.531	2.009	0	1	GEAF	
CC(=O)OC(Cn1cncn1)(Cn1cncn1)c1ccc(Cl)cc1Cl	1636584	GIJAQKGBIJOEMS-UHFFFAOYSA-N	381.223	2.335	0	1	GEAF	
OC[C@@H]1[C@H](O)C[C@H](NC2Cc3ccccc3C2)[C@@H]1Cc1ccnc(C2CC2)n1	2356289585	XRGDEMGWUVMJDZ-CLAROIROSA-N	379.504	2.011	0	1	GEAF	
COc1cc(-c2ccc(-n3cc(NC(N)=O)c(C(N)=O)n3)cc2C)ccc1O	29056704	SSKUYPHIUNEULS-UHFFFAOYSA-N	381.392	2.151	0	1	GEAF	
Cn1cc(CN2C[C@@H](O)C[C@H]2c2nc(-c3cnccn3)no2)c2ccccc21	2356809200	AOJPHLJGJXCKOE-KSSFIOAISA-N	376.420	2.326	0	1	GEAF	
CC(C)(C)c1cc(NC(=O)N2CCCN(C(=O)C3CCOCC3)CC2)on1	71316320	BRYFIBRPXKDGCG-UHFFFAOYSA-N	378.473	2.465	0	1	GEAF	
CCOC(=O)C[C@@H]1C[C@H](n2cc(-c3ccc(O)cc3)c3c(N)ncnc32)CN1	40896721	SFUOPNLOTSTSRR-KBPBESRZSA-N	381.436	2.242	0	1	GEAF	
COCCn1c(=O)c(NCC2CC2)c2n(c1=O)C[C@H](CC1CCCCC1)N2	82208479	VTLAPZLQMYGVPP-INIZCTEOSA-N	376.501	2.243	0	1	GEAF	
CCCNC(=O)N1CCN(c2ccc([C@@H]3CC(C(=O)OCC)=NO3)cc2)CC1	40916856	VXSTUEDTESKMCD-SFHVURJKSA-N	388.468	2.309	0	1	GEAF	
COC(=O)CNC(=O)[C@@H]1Cc2c([nH]c3ccccc23)CN1C(=O)OC(C)(C)C	40403718	GHDFHWWALURHRU-INIZCTEOSA-N	387.436	2.119	0	1	GEAF	
Nc1ncc(-c2ccc(-c3ccccc3C(=O)N3CCNC(=O)C3)cc2F)cn1	224820346	ZWOBVLCXGAQZAL-UHFFFAOYSA-N	391.406	2.104	0	1	GEAF	
C[C@H]1CC(=O)N([C@H](C)C(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)C1=O	653791289	GOBGYUDXUNWESR-NWDGAFQWSA-N	398.290	2.426	0	1	GEAF	
O=C1N[C@@H]2[C@H](CCCCCc3cn(Cc4ccc(O)cc4)nn3)SC[C@@H]2N1	1772602156	JHYDOJBHKBNCGF-BZSNNMDCSA-N	387.509	2.300	0	1	GEAF	
COc1ccc(-c2ccc3ncc(C(=O)NC[C@@H]4CCCO4)c(=O)n3c2)cc1	169313151	KQLJMXRGIQGNGU-KRWDZBQOSA-N	379.416	2.279	0	1	GEAF	
C[C@@H]1NN=C(c2ccc(S(=O)(=O)Nc3sc(S)nc3O)cc2)S1	169728817	BUTCKZYUZYWMLP-ZCFIWIBFSA-N	388.521	2.282	0	1	GEAF	
N=C(N)c1ccc(NC(=O)CCCCC(=O)Nc2ccc(C(=N)N)cc2)cc1	3948550	ZZPHAHIOVYSONT-UHFFFAOYSA-N	380.452	2.392	0	1	GEAF	
O=C(c1ccc(Cl)c(S(=O)(=O)NCc2cccnc2)c1)N1CCCC1	6787487	BFPJRFVXZBPGJQ-UHFFFAOYSA-N	379.869	2.450	0	3	GEAF	
Cn1cnc2cc(-c3ccc(C(C)(C)O)nc3)nc(Nc3cnccn3)c2c1=O	115626778	PLGNAVAUDDUFFB-UHFFFAOYSA-N	389.419	2.152	0	1	GEAF	
CC[C@H](C)NC(=O)c1cnc(N2CCC[C@H](C(N)=O)C2)nc1-c1ccccc1	82133386	AHQMAYZQGXMKMS-HOCLYGCPSA-N	381.480	2.374	0	1	GEAF	
O=C(NCC[C@@H]1CC[C@@H](NC(=O)C2CC2)[C@H](CO)O1)Nc1ccc(Cl)cc1	95904447	GLBDSUNETLJFTE-BBWFWOEESA-N	395.887	2.286	0	1	GEAF	
CC(=O)N(C)C[C@H]1Oc2ccc(NC(=O)NC(C)C)cc2C(=O)N(C)C[C@H]1C	95660946	PEIHOODXEGGKNI-FZKQIMNGSA-N	390.484	2.164	0	1	GEAF	
COc1cc(C[C@@H](CO)[C@H](CO)Cc2cc(OC)c(O)c(OC)c2)ccc1O	33832536	AMVHSCBIZLVSPF-HOTGVXAUSA-N	392.448	2.126	0	1	GEAF	biogenic
COc1cc2nc(COc3ccc(S(N)(=O)=O)cc3C)[nH]c2cc1OC	586930545	RVRDXOZZUYKGHB-UHFFFAOYSA-N	377.422	2.115	0	1	GEAF	
COc1ccc2c(c1)[C@@]1(N[C@H](N)N(C)C1=O)C1(CCc3ccccc3CC1)C2	1772633547	YGKSFBUXLFXNHW-GMAHTHKFSA-N	377.488	2.316	0	1	GEAF	
COC(=O)c1ccc2c(c1)O[C@H](COc1ccc(F)c(C(N)=O)c1F)CO2	1772625647	CTYGQQDNUSRRMA-JTQLQIEISA-N	379.315	2.069	0	1	GEAF	
O=C(O)Cc1nn(Cc2nc(-c3ccc(F)cc3F)no2)c(=O)c2ccccc12	13449038	MWKZXPWXMCRIES-UHFFFAOYSA-N	398.325	2.400	0	1	GEAF	
COCCNC(=O)CN(C(=O)c1ccc(N2CCCC2)nc1)c1ccccc1	20143210	YZMDQMRQYXQKJN-UHFFFAOYSA-N	382.464	2.091	0	3	GEAF	
COc1ccccc1[C@@H]1CN2C(=O)CN(N)C(=O)[C@@]2(C)c2[nH]c3ccccc3c21	2134270	AEKXBOQQURHNNE-OYHNWAKOSA-N	390.443	2.082	0	1	GEAF	biogenic
O=c1[nH]nc(Cc2ccc(F)c(N3CCCCS3(=O)=O)c2)c2c1CCCC2	139791220	JDBVSHSEKGBPDH-UHFFFAOYSA-N	391.468	2.309	0	1	GEAF	
Cn1c(O[C@H]2CCCN(c3ccccc3F)C2)nc(-c2ccncn2)cc1=O	146578700	OGNQLZVENUHHOS-AWEZNQCLSA-N	381.411	2.424	0	1	GEAF	
Cc1nc2c(c(-c3ccc(Cl)cc3Cl)c1CN)C(=O)N(CC(N)=O)C2	96285851	XJDKGHMEFQVYDZ-UHFFFAOYSA-N	379.247	2.264	0	1	GEAF	
CC[C@@H](C(=O)N1CCN(c2ccccc2C(F)(F)F)CC1)N1C(=O)CCC1=O	473133379	ZBRSLVPETOHUHD-AWEZNQCLSA-N	397.397	2.282	0	1	GEAF	
COC(=O)C(=O)C[C@@]1(c2ccc3c(c2)OCO3)CC(=O)c2cc(C)cc(N)c2O1	587408307	LNCQXPMQSPFXRY-OAQYLSRUSA-N	397.383	2.299	0	1	GEAF	
COc1ccc2[nH]c(-c3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3)nc2n1	586947366	XACHGDGZYHBPKG-ZDUSSCGKSA-N	388.449	2.091	0	1	GEAF	
O=S(=O)(NC[C@H]1CCCO1)c1ccc(-c2nc3nc(Cl)c[nH]c-3n2)cc1	586945867	CIQPATVUKAZMGK-LLVKDONJSA-N	393.856	2.082	0	1	GEAF	
CN(CCO)C(=O)c1cn(C2CCN(Cc3cccc4ccccc34)CC2)nn1	12049033	BLMRWQCVBJSCIB-UHFFFAOYSA-N	393.491	2.333	0	1	GEAF	
O=C(CCN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@@H]2C1=O)[C@@H]1C[C@H]31)Nc1ccc(Cl)cc1O	13845537	CAXIQVSZUQAKEM-DSSREVGFSA-N	386.835	2.427	0	1	GEAF	
O=C(NN1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O)c1ccccc1Br	169355029	OLFJAAPWKAVFKS-FGVNRAKHSA-N	387.233	2.147	0	1	GEAF	
O=C(O)[C@@H]1[C@@H](N=c2[nH]c(-c3[nH]nc4ncc(F)cc34)ncc2F)[C@H]2C=C[C@H]1CC2	1857614770	VBONKCBPROCYAQ-WBRVRECLSA-N	398.373	2.192	0	1	GEAF	
CN1CCC(NC[C@@H]2O[C@H](Cc3cc(-c4ccccc4)on3)CC[C@@H]2O)CC1	2356404356	LVPLJXOBCVXANF-ONTIZHBOSA-N	385.508	2.476	0	1	GEAF	
CC1CCN(C[C@@H]2CN3CC[C@H]2C[C@H]3CNS(=O)(=O)c2ccccc2)CC1	2356298728	XOEJDJIPWVYDQQ-ZCNNSNEGSA-N	391.581	2.407	0	1	GEAF	
O=C(N[C@@H]1[C@H]2CC3C[C@@H]1C[C@@](O)(C3)C2)c1cnc(N[C@H]2CCOC2)nc1C1CC1	101584609	DFVVWZTUNUJGGE-LFZHQZEDSA-N	398.507	2.224	0	1	GEAF	
O=C(NC1[C@H]2CC3C[C@H]1CC(O)(C3)C2)c1ccc(N2CCOCC2)nc1C1CC1	101549960	WYTGYKXJNWWDCV-QKWOXMSISA-N	397.519	2.465	0	1	GEAF	
O=c1nc2ccccc2c2nc(-c3cccc(S(=O)(=O)N4CCCC4)c3)[nH]n12	104103480	IFGBKPMFHFHUNE-UHFFFAOYSA-N	395.444	2.022	0	3	GEAF	
C[C@H]1OCC[C@H]2Oc3ccc(-c4cccnc4F)cc3[C@]3(N=C(N)N(C)C3=O)[C@H]12	103253292	MQRUEXQPTDUCPL-RSAPIUNTSA-N	396.422	2.056	0	1	GEAF	
CCCCCS(=O)(=O)[C@H](C)[C@](O)(Cn1cncn1)c1ccc(F)cc1F	29311797	LKLNPSQAZVXMHJ-CXAGYDPISA-N	387.452	2.438	0	1	GEAF	
CCS(=O)(=O)N(CCN1CCOCC1)c1sc2ccccc2c1[C@@H](C)O	115231002	LFKMIVWZEUJCBT-CQSZACIVSA-N	398.550	2.443	0	1	GEAF	
CCCS(=O)(=O)NC(=O)[C@]1(C)CCN(C(=O)c2ccc(F)cc2Cl)C1	61897522	OONSUTQFRJBPNU-MRXNPFEDSA-N	390.864	2.187	0	3	GEAF	
COC(=O)[C@@]12C(=O)CCC(=O)[C@H]1[C@H]1C(=C[C@H]2C)O[C@@H]2OC3(CCCCC3)O[C@@H]21	31830064	WKIWXIYYKPWPBT-MIRKUVOJSA-N	390.432	2.276	0	1	GEAF	
O=C(Nc1ccccc1)[C@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(C2(O)CCCC2)nn1	8299875	GANPCIMBUIBMPK-UHOSZYNNSA-N	395.507	2.389	0	1	GEAF	biogenic
FC(F)(F)Oc1cccc(-n2nnc3ccc(N4C[C@@H]5CNC[C@@H]5C4)nc32)c1	73387213	ZOSLTFMNLPTPHD-TXEJJXNPSA-N	390.369	2.370	0	1	GEAF	
COc1cc(O)cc([C@H]2Oc3c(c(OC)cc4ccc(=O)oc34)O[C@@H]2CO)c1	15268963	DAQYGJQQKJBBJA-NVXWUHKLSA-N	386.356	2.389	0	1	GEAF	biogenic
CN1C[C@@](C)(c2cc(NC(=O)c3ccc(Cl)cn3)ccc2F)N=C(N)C1=O	73169383	IBPGEEKFYIPLRV-SFHVURJKSA-N	389.818	2.171	0	1	GEAF	
CCCCNc1nnc(Cc2cc(OC)c(OC)cc2S(=O)(=O)N(C)C)o1	84538254	QSELAMFEHKOKQV-UHFFFAOYSA-N	398.485	2.140	0	1	GEAF	
C/C=C/c1ccc2c(c1)O[C@H](CN(C)C)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O	95711451	KDXLDHVMUOGHJB-PNJTVDSWSA-N	382.526	2.050	0	1	GEAF	
COc1ccc2[nH]c(-c3nn(CC(=O)O)cc3I)nc2c1	587185274	JRYXEOZDSKGVDA-UHFFFAOYSA-N	398.160	2.124	0	1	GEAF	
CCC(=O)N[C@@H](O)[C@]1(c2ccc(C)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	587430094	RBYUVSJSBOLZRZ-URZJWIJPSA-N	381.428	2.491	0	1	GEAF	
Cc1ccc2nc(Cn3cc(I)c(C(=O)O)n3)[nH]c2c1	587186101	RAODUCDBCWRBNT-UHFFFAOYSA-N	382.161	2.419	0	1	GEAF	
O=C1c2ccccc2C(=O)N1CCN1CCN(CCc2ccccc2F)CC1	1772578935	ZRKOAPVMIKJLQR-UHFFFAOYSA-N	381.451	2.282	0	1	GEAF	
O=C(O)Cc1nn(Cc2nc3cc(F)cc(F)c3s2)c(=O)c2cccnc12	13650641	KLGRUNSKORTTKE-UHFFFAOYSA-N	388.355	2.355	0	1	GEAF	
COC(=O)c1c(OC)c(O)cc(OC)c1C(=O)c1c(O)cc(C)cc1OC	14761008	BAPCVTZQKDDQAD-UHFFFAOYSA-N	376.361	2.450	0	1	GEAF	
NCc1cc(Oc2cccc(C(=O)N3CCC(O)(C(F)(F)F)CC3)c2)ncn1	1857616310	UYADVEUDEYUVDS-UHFFFAOYSA-N	396.369	2.257	0	1	GEAF	
CCCCCCN(CCO)c1ccc2[nH]c(=O)c(CCC(=O)OCC)nc2n1	3956641	LZFYOWUMYVIUQJ-UHFFFAOYSA-N	390.484	2.193	0	1	GEAF	
COc1ccc2c(c1)[C@@H](O)[C@H](N1CCN(c3cccc4c3OCCO4)CC1)C2	13471779	NGAGLDAKVNKYJX-TZIWHRDSSA-N	382.460	2.247	0	1	GEAF	
COC(=O)c1ccc2[nH]c(C(=O)N[C@H]3Cc4ccccc4N(C)C3=O)cc2c1	13587910	IONIWZRSZHTCFY-KRWDZBQOSA-N	377.400	2.272	0	1	GEAF	
COc1ccccc1N1CCN(CCCNc2nc(C)cc(C)c2C(N)=O)CC1	13764485	CDERFWONVHXZLJ-UHFFFAOYSA-N	397.523	2.430	0	1	GEAF	
COC1=CC(=O)[C@]2(C1)[C@H](Cl)C[C@]13C(OC)=C(OC)C(=O)C[C@]21CCN3C	14413766	PXTPGGRVOOOTDS-BPQTVZERSA-N	381.856	2.025	0	1	GEAF	biogenic
N=C(N)NCCC[C@H]1NC(=O)c2ccc(Cl)cc2N(Cc2ccccc2)C1=O	29133410	CWVXKDNUHVPLLR-MRXNPFEDSA-N	399.882	2.248	0	1	GEAF	
O=C(C(=O)N1CCN(C(=O)Cc2ccccc2)CC1)c1c[nH]c2ccccc12	45253110	AWOHEFJDKXAEII-UHFFFAOYSA-N	375.428	2.264	0	1	GEAF	
COc1c(-c2cc3n(c2)CCNC3)c(F)cc2c1N(C1CC1)C[C@@H](C(=O)O)C2=O	45290122	WUYKPJOSVPYZIC-OAHLLOKOSA-N	399.422	2.272	0	1	GEAF	
OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)c2nc(CCc3ccc(C4CCCCC4)cc3)cn21	71317692	FSVQSWUNWFBTRX-MXEMCNAFSA-N	386.492	2.018	0	1	GEAF	
CCN(C)C(=O)c1cnc(N2CCC[C@@H](C(N)=O)C2)nc1-c1ccccc1F	82159606	XYARJXATKXCPTQ-CYBMUJFWSA-N	385.443	2.076	0	1	GEAF	
O=C(CC1CC1)N1[C@H](CO)[C@@H](c2ccccc2)C12CN(Cc1cccnc1)C2	95796804	NXPTXPDCWOSEKH-IFMALSPDSA-N	377.488	2.423	0	1	GEAF	
C/C=C(/C)C(=O)O[C@@H](C1=C(C)[C@H](O)OC1=O)[C@]1(C)[C@H](C)[C@@H]2CC[C@@H]1[C@H](OC)O2	104383173	YEMKZDPASIYASW-WBZQKDPJSA-N	394.464	2.480	0	1	GEAF	in-man
Cc1noc(C)c1Cn1cc(N2C(=O)CN(Cc3ccccc3N)C2=O)cn1	115731909	QGWRISGBMOYDCQ-UHFFFAOYSA-N	380.408	2.087	0	1	GEAF	
Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4ccnn4-c4ccccc4)C[C@H]3C2)n1	116823103	VIHDZDWPQOPCLB-HDICACEKSA-N	388.475	2.488	0	1	GEAF	
Cn1ncc(C(=O)N2CCC2)c1C(=O)NCCc1csc(-c2ccccc2)n1	144106278	ANXGOOCOVVQHFD-UHFFFAOYSA-N	395.488	2.362	0	1	GEAF	
CC(=O)N[C@@H](C)c1ccc(C2CN(c3ccnc(N4CCOCC4)n3)C2)cc1	149928129	ZMKFRNQARYXSPD-HNNXBMFYSA-N	381.480	2.114	0	1	GEAF	
O=c1c2[nH]c(Cl)nc2n(CC(F)(F)F)c(=O)n1CCCC(F)(F)F	165377595	KNEKKPAZJOFOEQ-UHFFFAOYSA-N	378.660	2.445	0	1	GEAF	
O=C(c1ccc(Cl)cc1)N1CCN(c2nn3nnnc3c3ccccc23)CC1	169312454	JYJFVELDKWWJJI-UHFFFAOYSA-N	393.838	2.288	0	1	GEAF	
O=C(Nc1ccc(C2CCCCC2)cc1)[C@H]1C(=O)N[C@@H](Cc2ncc[nH]2)C1=O	169727319	PROCPCGEIGHULW-WMZOPIPTSA-N	380.448	2.322	0	1	GEAF	
NC1=N[C@](CF)(c2nc(NC(=O)c3ccc(Cl)cn3)ccc2F)[C@H]2C[C@H]2O1	226111127	MELWCFRTFXQYNP-WUDNQAJYSA-N	393.781	2.420	0	1	GEAF	
CN(C)c1cccc2c(S(=O)(=O)NCc3nc4cncnc4[nH]3)cccc12	586943274	YFFRLMJAVUPIFX-UHFFFAOYSA-N	382.449	2.051	0	1	GEAF	
C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2ccc(Br)nc2[nH]1	586958297	HXVAMWYHBJZXAT-AWEZNQCLSA-N	397.254	2.189	0	1	GEAF	
Oc1nc(O)c2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c2n1	587002958	ZHTSNEHKZBUILF-OWOJBTEDSA-N	391.181	2.468	0	1	GEAF	
CN1CCN(CN2C(=O)C[C@@H](C(c3ccccc3)c3ccccc3)C2=O)CC1	1772577998	VKPPFQJAOCKVPL-FQEVSTJZSA-N	377.488	2.399	0	1	GEAF	
CC1=C2CC[C@]3(C[C@H](C)C(=O)O3)[C@@H]3CC[C@H]([C@@H]4C[C@@H](C)C(=O)O4)N3[C@H]2OC1=O	2356449082	ZWFSQWLYDLATHD-ALSHZZPYSA-N	389.448	2.086	0	1	GEAF	
O=C(C=Cc1ccccc1)NC(=S)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O	2356455646	BYHZMBFSYXBJLB-SJORKVTESA-N	379.485	2.382	0	1	GEAF	
CC1(C)O[C@@]2([C@H]3C[C@@H](CC4=CN[C@H](N)C=C4)C[C@@H](CO)C3)CC[C@H]1[C@@H](N)C2	2356852309	QOZQVKRYSUICKL-PZQYIUTESA-N	375.557	2.404	0	1	GEAF	
CCCCCC(=O)N1CC[C@](C)(O)[C@@H](NC(=O)COC)[C@H]1c1ccccc1	2356288584	HOWVPHKQTLFAIN-HKBOAZHASA-N	376.497	2.423	0	1	GEAF	
C[C@@H]1CC[C@@]2(O)[C@@]13CC(=O)[C@]1(C)[C@@]2(C)CO[C@]1(OC(=O)c1ccccc1)[C@@H]3O	58539536	BRRTVYWNYBLCAX-GKRFIZMWSA-N	386.444	2.077	0	1	GEAF	biogenic,in-vitro
COc1ccc(-n2cc(C(=O)c3cc(OC)c(OC)c(OC)c3)nn2)cc1O	66259220	JPNWCCMSLZCEFL-UHFFFAOYSA-N	385.376	2.238	0	1	GEAF	
CC(C)(C)OC(=O)NN1CC(=O)N2CCc3c([nH]c4ccccc34)[C@]2(C)C1=O	2099480	VZSKKFKGLWNIFC-HXUWFJFHSA-N	384.436	2.050	0	1	GEAF	biogenic
S=c1n(CNCCN2CCOCC2)nc(-c2ccncc2)n1-c1ccccc1	40913722	ZIHSCPZTJRSRIH-UHFFFAOYSA-N	396.520	2.345	0	1	GEAF	
O=C(c1ccc2c(CN3CCOCC3)c[nH]c2c1)N1CCN(C2CCC2)CC1	43197993	UMCSWOFKQMGQSD-UHFFFAOYSA-N	382.508	2.310	0	1	GEAF	
Cc1ccc(-c2nn(Cc3n[nH]c(=S)n3-c3ccccc3)c(=O)n2N)cc1	43067892	BLCAFXQAJBVXNW-UHFFFAOYSA-N	379.449	2.026	0	1	GEAF	
C[C@H](NC(=O)c1coc(-c2cccs2)n1)C(=O)NCCCN1CCCC1	82083405	CVOLMBZVGNABHH-ZDUSSCGKSA-N	376.482	2.124	0	1	GEAF	
COC(=O)[C@@]12C[C@H]3C[C@H](C(C)=O)[C@@H]1N(CCc1c2[nH]c2ccc(OC)cc12)C3	238767386	JBARSPOGHYFGGV-NVGOWXFESA-N	382.460	2.443	0	1	GEAF	
CN1C(=O)N(c2cncn2C)C[C@H]1C(=O)NCc1ccc(Cl)cc1Cl	95565233	DPIUZNNLHTZNPD-ZDUSSCGKSA-N	382.251	2.284	0	1	GEAF	
COc1ccccc1NC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(C)=O	95894615	QJDNWBNBGNMAFV-CMKODMSKSA-N	381.432	2.423	0	1	GEAF	
COc1ccccc1CN1C(=O)COC[C@@H]1[C@@H](O)c1ccc(NC(C)=O)cc1	71289639	RWXLBJQHTKZFQV-NQIIRXRSSA-N	384.432	2.115	0	1	GEAF	biogenic
C[C@H]1CN(c2cc(-c3cnc(N)c(OC(F)F)c3)nc(N3CCC3)n2)CCO1	653684774	OJBFFEPIYJTNCC-NSHDSACASA-N	392.410	2.157	0	1	GEAF	
COC(=O)Cn1cc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)nn1	587761478	USQNXBBIQXRNOZ-XXFAHNHDSA-N	397.248	2.150	0	1	GEAF	
CCOC(=O)C[C@@]1(c2ccc3c(c2)OCO3)NCCc2c(C(=O)O)cccc21	963125750	SXYDOYWEEHGKKB-NRFANRHFSA-N	383.400	2.456	0	1	GEAF	
O=C(O)c1cn(C2CC2)c2c3c(c(F)cc2c1=O)N1CCC[C@@H]1C[S@](=O)C3	113151626	ZAULWXLIJFMPGD-DQQVXTMASA-N	390.436	2.405	0	1	GEAF	
COc1cc(OC)cc(OS(=O)(=O)c2ccc(N3CCN(C)C3=O)cc2)c1	1772623895	DQFNNPBLKVZWPJ-UHFFFAOYSA-N	392.433	2.343	0	1	GEAF	
c1cn(-c2ccc(O[C@@H]3CCCN(Cc4ccc5c(c4)OCO5)C3)nn2)cn1	13975071	QYDFDUCNHWMTCI-MRXNPFEDSA-N	379.420	2.434	0	1	GEAF	
O=C(O)[C@H](Cc1ccccc1)N[C@@H](Cc1cncn1Cc1ccccc1)C(=O)O	14976332	GMSIGOAMBXYVOT-PMACEKPBSA-N	393.443	2.213	0	1	GEAF	
CCCn1cc(-c2ccc(C(=O)N3CCNCC3)c(Cl)c2)n2cncc2c1=O	1857609535	GRJONKCPKFROBS-UHFFFAOYSA-N	399.882	2.272	0	1	GEAF	
NC(=O)c1cc(-c2ccccc2)cc(-c2ccc(CS(N)(=O)=O)cc2)c1N	28703781	SNZXBPCCTHLEJR-UHFFFAOYSA-N	381.457	2.490	0	1	GEAF	
FC(F)(F)c1cc([C@H]2CNCCNCCNCCN2)cc(C(F)(F)F)c1	29126207	WJAMTONEHDHPCW-CQSZACIVSA-N	384.368	2.137	0	1	GEAF	
CC(C)c1ccc(NC(=O)Nc2nnc([C@H]3C[C@H](O)[C@@H](CO)O3)s2)cc1	61896044	BEZFUODGDDRYBH-BFHYXJOUSA-N	378.454	2.489	0	3	GEAF	
NC(=O)C1CCN(c2ccc(Cl)cc2NC(=O)c2cnn3cccnc23)CC1	113651694	ZCEVGIAITKATNG-UHFFFAOYSA-N	398.854	2.337	0	1	GEAF	
CC=C(C)C(=O)O[C@H](C1=C(C)[C@H](O)OC1=O)[C@@]1(C)[C@H]2CC[C@@H](O[C@@H]2OC)[C@@H]1C	2356528523	YEMKZDPASIYASW-XOTDARKMSA-N	394.464	2.480	0	1	GEAF	
CC=CCC(=O)O[C@@H](c1cc2ccc(=O)oc2cc1OC)[C@@H](O)C(C)(C)O	2356649304	ISUIJLNCTODZEL-RBUKOAKNSA-N	376.405	2.484	0	1	GEAF	
CC1(C)[C@H](O)[C@@H](O)C=C2C[C@@](CC(=O)c3cc(O)ccc3O)(C(=O)O)CC[C@H]21	2356865827	VLKMPIWFTPSHEP-CGFWXXMQSA-N	390.432	2.230	0	1	GEAF	
COC(=O)[C@]1(O)C[C@]2(C(C)=O)CCCN3CCc4c(n1c1cc(OC)ccc41)[C@@H]32	14829343	JSPRBHQBWMFUOZ-BAGYTPMASA-N	398.459	2.140	0	1	GEAF	biogenic
O=C(O)CN1Cc2ccc(NC(=O)c3ccc(C4CCNCC4)cc3)cc2C1=O	72104791	BHJOXRDKAUNWMH-UHFFFAOYSA-N	393.443	2.446	0	1	GEAF	
Cn1cc(-c2ccc3[nH]nc(-c4cc(N5CC[C@@H](CO)C5)ncn4)c3c2)cn1	225554220	HUVIKCCWTMVFRL-CYBMUJFWSA-N	375.436	2.239	0	1	GEAF	
CC(=O)N1CCC[C@H](c2cccnc2OC2CN(C(=O)c3ccccn3)C2)C1	96168876	IMCPBYGSIMARFY-INIZCTEOSA-N	380.448	2.106	0	1	GEAF	
CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2cccc(O)c2C(=O)O)c1	96917961	XZHBYDFQVWGKIC-UHFFFAOYSA-N	392.433	2.373	0	1	GEAF	
COC(=O)C1=C2C[C@H](O)C3=C2[C@@]2(C1)C(=O)[C@H]1C[C@H]4N(C[C@H]1C)C[C@@H](CC3)[C@]42C	653803626	JLEIPMXDLQDUDG-UJKFXMSNSA-N	383.488	2.247	0	1	GEAF	
CCCS(=O)(=O)N1CCC(c2nc3ccc(S(=O)(=O)CC)cc3[nH]2)CC1	586955220	MZKBHDOEQPQZFC-UHFFFAOYSA-N	399.538	2.276	0	1	GEAF	
COC(=O)c1cc([C@@]2(CCCC(=O)O)NCCc3c2c(C(C)C)nn3C)c[nH]1	962920134	QZBUUABUNXSSNJ-HXUWFJFHSA-N	388.468	2.302	0	1	GEAF	
CC[C@H]1Cc2c([nH]c3ccccc23)[C@@]2(N1)c1cc(OC)ccc1C(=O)C2(O)O	962956940	ZCVVLDDKXXGPRQ-QKVFXAPYSA-N	378.428	2.222	0	1	GEAF	
O=C1CN(C(=O)N[C@H](CO)c2ccc(OC(F)(F)F)cc2)c2ncccc2N1	1772609645	YBZUBBRZTVUARG-CYBMUJFWSA-N	396.325	2.182	0	1	GEAF	
Cc1cc(O)cc(O)c1C(=O)c1c(O)cc(O)cc1Cc1cc(=O)cc(O)o1	13334576	HSOLPAFROQCEQW-UHFFFAOYSA-N	384.340	2.298	0	1	GEAF	biogenic
Cc1ccc(-c2n[nH]c3cnc(-c4cnn(C)c4)cc23)nc1N1CCN(C)CC1	205251701	RSRCWMFXYSDZGP-UHFFFAOYSA-N	388.479	2.481	0	1	GEAF	
Cc1noc(/C=C/N(C)C)c1S(=O)(=O)N1CCN(c2ccccc2)CC1	59818065	GKHJQSMCPZTCKJ-MDZDMXLPSA-N	376.482	2.026	0	3	GEAF	
CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NC[C@H]1CCc2nc(N)sc2C1	103278170	QKXWPQGVSJQBDG-AAEUAGOBSA-N	380.514	2.346	0	1	GEAF	
C[C@H]([C@H](O)CO)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C(=O)[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C	118921475	GDQHRBBXYNXFED-USGVLXEASA-N	394.552	2.145	0	1	GEAF	
COC(=O)C1=C2CCC3=C2[C@@]2(C1)[C@@]1(C)CC[C@@H]4[C@@H](C)CN(C[C@H]1C[C@@H]3O)[C@]42O	2356868981	XGTHDNFQKJWUPJ-AWDOGVOESA-N	385.504	2.388	0	1	GEAF	
COc1ccc(CCNC(=O)c2c(C)n(O)c3cc(F)c(F)cc3[n+]2=O)cc1	49067710	ARFHNAFJFCHFMF-UHFFFAOYSA-O	390.366	2.361	0	1	GEAF	
COc1ccc(C(=O)Nc2ccc(Cn3cc4c(=O)[nH]cnc4n3)cc2)cc1	40407509	BJYZKFGJFYEQMR-UHFFFAOYSA-N	375.388	2.429	0	1	GEAF	
CCNC(=O)N1CCC(c2cc(C)nn2-c2ccc(S(C)(=O)=O)cc2)CC1	96934854	MEMBDKJYLKSXSV-UHFFFAOYSA-N	390.509	2.493	0	1	GEAF	
CS(=O)(=O)Nc1ccccc1Nc1ncnc(Nc2ccc(CN)cc2)n1	96273910	UJQPBPXKMKHVAR-UHFFFAOYSA-N	385.453	2.189	0	1	GEAF	
Cc1cc(OC(=O)CCC[C@@H](CO[N+](=O)[O-])O[N+](=O)[O-])n(-c2ccccc2)n1	95556151	YCQSBGKIUIIYPD-AWEZNQCLSA-N	394.340	2.042	0	1	GEAF	
N#CN1CC[C@@H](NC(=O)[C@@H](NC(=O)OCc2ccccc2)c2ccccc2)C1	621431371	VMQIYTFNUVXPJH-MOPGFXCFSA-N	378.432	2.326	0	1	GEAF	
CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H](CO)CC(C)C)N(C(=O)c2ccco2)C1	299888123	ZXIGQFVDVIECRX-ZACQAIPSSA-N	380.485	2.203	0	1	GEAF	
CC(C)(C)OC(=O)Nc1nnc(Cc2nc3ccc(C(=O)O)cc3[nH]2)s1	587024314	UTWMXLACRUMLHC-UHFFFAOYSA-N	375.410	3.050	0	1	GEAF	
O=S(=O)(NCc1nc2cc3c(cc2[nH]1)OCO3)c1ccc(F)c(F)c1F	587135547	HAFKCBORHAWKLQ-UHFFFAOYSA-N	385.323	2.187	0	1	GEAF	
COc1ccc(C=O)c(-c2nc3c(S(=O)(=O)N(C)C)cccc3[nH]2)c1OC	587797772	TWFYNRXHUDKQHS-UHFFFAOYSA-N	389.433	2.310	0	1	GEAF	
O=C1[C@H]2CCCN2C(=O)N1CN1CCN(c2cccc(C(F)(F)F)c2)CC1	13760035	ACGLKDBLGXFWDN-OAHLLOKOSA-N	382.386	2.212	0	1	GEAF	
COc1cc([C@H](C)NC(=O)n2sc3ncccc3c2=O)cc(CO)c1OC	169711324	IKJKHIMWXJUPAW-JTQLQIEISA-N	389.433	2.286	0	1	GEAF	
Nc1cc2c3c(c1)C(c1ccccc1)=N[C@@H](NC(=O)c1ccncc1)C(=O)N3CC2	3827875	KUPGNWKDDKVLPV-NRFANRHFSA-N	397.438	2.160	0	1	GEAF	
CC[C@H](C)C(=O)O[C@@H]1CC(C(=O)OC)=C[C@H](OC(C)=O)[C@@H]1OC(=O)[C@H](C)CC	2356417800	MUTKUWKXVNNJTE-GMKCAIKYSA-N	398.452	2.337	0	1	GEAF	
Cn1c(N2CCO[C@@H](c3ccc(CO)cc3)C2)nc(-c2ccncc2F)cc1=O	113090547	NGZXBVKEFKTZEW-LJQANCHMSA-N	396.422	2.052	0	1	GEAF	
CC=C(C)C(=O)O[C@H](C1=C(C)[C@H](O)OC1=O)[C@]1(C)[C@H](C)[C@H]2CC[C@H]1[C@@H](OC)O2	2356528520	YEMKZDPASIYASW-LAAKXINSSA-N	394.464	2.480	0	1	GEAF	
C[C@@]1(C(=O)NS(=O)(=O)c2ccccc2)CCN1C(=O)CC1CCCCC1	61896528	LBEBCAFFDRCFFC-IBGZPJMESA-N	378.494	2.453	0	3	GEAF	
COc1cc([C@H]2Oc3cc4ccc(=O)oc4cc3O[C@H]2CO)cc(OC)c1O	535384657	GIQLHVXLWDFBDW-FXAWDEMLSA-N	386.356	2.389	0	1	GEAF	biogenic,in-vitro
CC(C)(C)OC(=O)N1CC[C@@H](OC[C@@H](O)CN2CCc3ccccc3C2)C1	219732439	VGLIUVRLGNYGAG-RBUKOAKNSA-N	376.497	2.432	0	1	GEAF	
CN1CC2(CNC(=O)c3c2[nH]c2c3CCc3cnc(-c4cccc(F)c4)nc3-2)C1	72107952	GVYMKFWWTKMJSR-UHFFFAOYSA-N	389.434	2.303	0	1	GEAF	
COC(=O)[C@]1(O)[C@H](O)CC[C@@H]2[C@@](C)(CCC3=CCOC3=O)[C@H](C)CC[C@@]21C	238752391	WFESWMHXCOYDMS-IXHIWKOYSA-N	380.481	2.367	0	1	GEAF	
CC[C@@H]1CN(S(=O)(=O)c2ccccc2)CC[C@@H]1CC(=O)N(C)CCC#N	25427800	MPDUBJLMDMBNOM-IAGOWNOFSA-N	377.510	2.486	0	1	GEAF	biogenic
O=C(Nc1ccccc1F)N[C@H]1CC[C@H](CCNC(=O)C2CCC2)O[C@@H]1CO	95903905	SNFIVQMNSFUFJY-FHLIZLRMSA-N	393.459	2.162	0	1	GEAF	
COCC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)Nc1ccccc1F	95893940	ZQADTZAUZMFMKK-HBFSDRIKSA-N	399.422	2.180	0	1	GEAF	
C=CS(=O)(=O)N1CC[C@H](C(=O)Nc2ccc(OC(F)(F)F)c(F)c2)C1	618020223	NDBBALCDSBDWDJ-VIFPVBQESA-N	382.335	2.458	0	1	GEAF	
COc1cc2c3c(c1)O[C@@]1(C(=O)Nc4cc(N5CCOCC5)ccc41)[C@@H](C2)C3=O	587445361	WAMPSOXBGGPLAJ-KSFYIVLOSA-N	392.411	2.127	0	1	GEAF	
CC[C@H](C)NC(=O)c1cc([C@@]2(C)N[C@H](C(=O)O)Cc3ccc(O)c(C)c32)c[nH]1	963524244	KNCSWXLBSVEOAV-SBOBAANCSA-N	385.464	2.419	0	1	GEAF	
Cc1csc([C@H]2c3[nH]cnc3C[C@H]3C(=O)N4CCC[C@H]4C(=O)N32)c1Cl	963198708	AFYWYIDLTMUVSH-COPLHBTASA-N	376.869	2.280	0	1	GEAF	
O=C(N[C@@H]1CCCc2ccccc21)[C@H]1CCCN(S(=O)(=O)c2c[nH]cn2)C1	13131483	LFTBGYFGPXVSSC-DOTOQJQBSA-N	388.493	2.004	0	3	GEAF	
O=C(N[C@@H]1CO[C@@H]2[C@@H]1OC[C@H]2n1cc(CC2CCCCC2)nn1)c1ccco1	2356304501	LPIDSFBINCSQHP-RWQQGDIJSA-N	386.452	2.131	0	1	GEAF	
O=C(NCCN1CCOCC1)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccccc1	4049068	LAEHUYWYUDZXJL-PZJWPPBQSA-N	379.460	2.227	0	1	GEAF	
O=c1[nH]c(=O)n(COCCO)c(Sc2ccccc2)c1Cc1ccccc1	6580921	VCFXKIYMPSBRND-UHFFFAOYSA-N	384.457	2.245	0	1	GEAF	
COC(=O)CS[C@@H]1CC(=O)O[C@@H](C)CCC/C=C/[C@@H]2C[C@H](O)C[C@H]2[C@@H]1O	26991603	BSGIUTTTZQKLQE-YHTOPADSSA-N	386.510	2.071	0	1	GEAF	
COc1cc(C2=NCCN2)ccc1OCCCOc1ccc(C2=NCCN2)cc1	27524450	IEINQIHCKCDXTI-UHFFFAOYSA-N	394.475	2.243	0	1	GEAF	
COc1cc2c(cc1OS(N)(=O)=O)CC[C@H]1[C@@H]3CC[C@H](O)[C@@]3(C)CC[C@@H]21	38465215	RWIXFHUXVURZCZ-QVAFBQAKSA-N	381.494	2.495	0	1	GEAF	
O=C(N[C@@H]1CCS(=O)(=O)C1)c1n[nH]c2ccc(-c3cccc(F)c3F)cc12	1911571654	LPOOEMSIXFBVLW-LLVKDONJSA-N	391.399	2.425	0	1	GEAF	
CN1CCC[C@@H](C(=O)Nc2ccc(-n3cc4cccc(C(N)=O)c4n3)cc2)C1	45389290	KSJYCVBFZSQHMK-OAHLLOKOSA-N	377.448	2.405	0	1	GEAF	
COC(=O)[C@@H]1C[C@H](N)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C	40763284	VCZKRKGJSSFJER-CEFSSPBYSA-N	389.448	2.396	0	1	GEAF	
Cc1cnnc(-c2ccc3c(c2)[C@]2(COC(N)=N2)C2(COC2)C2(CCC2)O3)c1	220715147	CENZKPKDVOYGAD-OAQYLSRUSA-N	378.432	2.324	0	1	GEAF	
O=C(C1=NO[C@@]2(C1)C(=O)N(Cc1ccccc1)c1ccccc12)N1CCOCC1	95605663	WTDGKJINHNNHGQ-JOCHJYFZSA-N	391.427	2.064	0	3	GEAF	
C[C@@H]1CN2C[C@H]3CC[C@@H]4CC[C@@H](O)[C@@H]4[C@]45CCC(=O)OC[C@]34CC[C@H]1[C@@]25O	238767921	DSIWIPXCXCRFDW-MBXUKYIMSA-N	375.509	2.157	0	1	GEAF	
CCCNC(=O)N1[C@H](CO)[C@H](c2ccccc2)[C@H]1CNC(=O)c1ccccc1	95895325	BDBCNCHRSQLNJW-VAMGGRTRSA-N	381.476	2.365	0	1	GEAF	
C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)CC2CC2)Oc2c(cccc2N(C)C)C1=O	95856776	NQBYIEPUWCEMNR-GQIGUUNPSA-N	389.540	2.315	0	1	GEAF	
CCCCc1cc(=O)oc2cc(OCc3nc4c(O)nc(N)nc4[nH]3)ccc12	586918184	JTHUFWMQHAAGMA-UHFFFAOYSA-N	381.392	2.669	0	1	GEAF	
CN(C)CCOc1ccc(Nc2cc(-n3cnc4cccnc43)ncn2)nc1	1772608554	GZDZXLOEMPRVPY-UHFFFAOYSA-N	376.424	2.290	0	1	GEAF	
Cc1c(NC(=O)COC(=O)[C@@H]2C[C@H]3C=C[C@@H]2C3)c(=O)n(-c2ccccc2)n1C	3247267	QXORCEWNUQJSFW-ZMSDIMECSA-N	381.432	2.178	0	1	GEAF	
CC(C)(C)C(=O)N1CCN2[C@H](C1)CN(S(=O)(=O)c1ccccc1)CC2(C)C	2356461986	BBDXXQNGKUSHBH-MRXNPFEDSA-N	393.553	2.028	0	1	GEAF	
CCCCn1c(=O)c2[nH]c(C34C[C@H]5CC3C[C@@H](C5)C4)nc2n(CCCO)c1=O	100002023	CIBIXJYFYPFMTN-UCZRJGPTSA-N	386.496	2.147	0	3	GEAF	in-vitro
C[C@@H]1C[C@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)O	28383276	PFAGPIFFRLDBRN-NNXVUHTISA-N	378.440	2.419	0	1	GEAF	
COc1ccccc1N1CCN(C[C@@H]2CN3C(=O)Nc4ccccc4C3=N2)CC1	22939043	ZAKQYSXDZKMEJJ-MRXNPFEDSA-N	391.475	2.494	0	1	GEAF	
C[C@H](CCCCCCCC[C@H](O)CC(=O)O)O[C@@H]1O[C@H](C)[C@H](O)C[C@@H]1O	2356495006	ARJGFPSUJRWUSF-FJANGAQTSA-N	376.490	2.205	0	1	GEAF	
COc1cc(/C=C(/C(=O)O)c2ccc(S(C)(=O)=O)cc2)cc(OC)c1O	66066137	KPBNFNILUDZZSV-RIYZIHGNSA-N	378.402	2.438	0	1	GEAF	
COc1ccc(NS(=O)(=O)c2ccc(N3CCNC3=O)cc2)cc1OC	73138968	LODXTFLTCLLWSK-UHFFFAOYSA-N	377.422	2.034	0	1	GEAF	
O=C(O[C@]12[C@H]3[C@@H]4[C@@H]5[C@@H]6C[C@@H]([C@H]53)[C@@H]1[C@@H]6[C@]41OCCCN12)c1n[nH]c2ccccc12	299806720	NKBYXRWOKPTCIZ-KLXBMEJWSA-N	375.428	2.236	0	1	GEAF	
COc1ccc(S(=O)(=O)N[C@H](c2nc3ccc(Cl)nc3[nH]2)[C@@H](C)O)cc1	586938340	QIEDMKCKBKBRBC-OTYXRUKQSA-N	396.856	2.020	0	1	GEAF	
CNS(=O)(=O)N1CCC(c2nc3cc(C)c(Br)cc3[nH]2)CC1	586954774	OWIYUZDKZPLCJH-UHFFFAOYSA-N	387.303	2.277	0	1	GEAF	
CCO[C@H]1OC(C(=O)N2CCOCC2)=C[C@@H](c2ccccc2)[C@@H]1CCCO	13118606	YAXLDJFKHIKXLE-WFXMLNOXSA-N	375.465	2.294	0	3	GEAF	
Cc1ccc(/C=C/C(=O)N2CCN(c3nn4nnnc4c4ccccc34)CC2)cc1	169306832	HONBMCAVABPXLY-ZHACJKMWSA-N	399.458	2.343	0	1	GEAF	
CC=C1C[C@H](C)[C@](C)(OC(C)=O)C(=O)OCc2ccn3c2[C@@H](CC3=O)OC1=O	2356464545	NTGIQQBAUYBEBF-RPLLZPRCSA-N	389.404	2.467	0	1	GEAF	
CC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)NC3CCCCC3)ccc21	4971610	QXWOGXKEVXZYES-UHFFFAOYSA-N	378.494	2.208	0	1	GEAF	
COc1ccc2c(c1)N(C)[C@@H]1[C@](O)(OC(C)=O)[C@H](C)[C@]3(C)C=CCN4CC[C@]21[C@H]43	2356402208	BRPPDMZITRSQKG-CUQSOMIVSA-N	398.503	2.303	0	1	GEAF	
O=C(NN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O)c1ccccc1Br	58566144	OLFJAAPWKAVFKS-GVHRXAAFSA-N	387.233	2.147	0	1	GEAF	
COc1ccc(Nc2nc(N)nc(C(=O)NCc3ccccc3OC)n2)cc1	103241518	PPTPQRSCUDXWPO-UHFFFAOYSA-N	380.408	2.145	0	1	GEAF	
Cc1c(Cc2ccc(F)c(C(=O)N3CCC4(CCN4)CC3)c2)n[nH]c(=O)c1C	45388110	IHBHIMHRMGGICS-UHFFFAOYSA-N	384.455	2.085	0	1	GEAF	
C[C@H](NC(=O)[C@@H](N)CC(N)=O)P(=O)(Oc1ccccc1)Oc1ccccc1	96167862	APGOHCBEJDAUOM-CJNGLKHVSA-N	391.364	2.002	0	1	GEAF	
O=C(CC1CC1)N1[C@@H](CO)[C@H](c2ccccc2)C12CN(Cc1cccnc1)C2	95661340	NXPTXPDCWOSEKH-UNMCSNQZSA-N	377.488	2.423	0	1	GEAF	
C/C=C1/CN2[C@@H](OC)C[C@]34C(=Nc5ccccc53)[C@@H]2C[C@@H]1[C@@]4(CO)C(=O)OC	238786818	JILJLVZWABVUDR-GQGBYOKCSA-N	382.460	2.189	0	1	GEAF	
C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cncc(Br)c2[nH]1	586959156	OXCHQMNPSMHVRC-CQSZACIVSA-N	397.254	2.189	0	1	GEAF	
CC(C)C[C@@H](NC(=O)c1ccc(Br)cc1)C(=O)N(C)N(C)C#N	220249388	FQQZSNLVMYLAHA-CQSZACIVSA-N	381.274	2.380	0	1	GEAF	
CC(=O)Nc1ccc(-c2ccnc(Nc3cccc(S(N)(=O)=O)c3)n2)cc1	1772598440	HMTSSJGMIDMOTB-UHFFFAOYSA-N	383.433	2.493	0	1	GEAF	
CC(=O)N1CCN(C(=O)CCN2Cc3cc(Cl)ccc3O[C@H](C)C2)CC1	11839478	JGFUPMWPVLRBJY-CQSZACIVSA-N	379.888	2.004	0	1	GEAF	
c1c[nH]c(=Nc2ccnc3cc(-c4cnc(N5CCCNCC5)nc4)ccc23)cn1	1857617388	OJGSDCQLONRRAP-UHFFFAOYSA-N	398.474	2.447	0	1	GEAF	
Cc1nn(-c2ccc(F)cc2)c(-n2cccc2)c1C(=O)N1CCC(C(N)=O)CC1	6940338	WABCQJWNYJMVBN-UHFFFAOYSA-N	395.438	2.448	0	1	GEAF	
C[C@H]1C[C@](C)(O)[C@@H]2[C@@]3(C)CCC[C@@]2(COC3=O)[C@@]12CC[C@@]1(CCOC1=O)O2	17039975	SXRSWIKTOZHQDT-YVELSALRSA-N	378.465	2.362	0	1	GEAF	
CCOC(=O)NC[C@H]1CN(c2cc(F)c3c(c2)OC[C@@H]2CCCN32)C(=O)O1	27311328	IMAKFNCARWRBNQ-AAEUAGOBSA-N	379.388	2.258	0	1	GEAF	
CCOC(=O)CCn1ncc2c(NC3CCOCC3)c(C(=O)OCC)cnc21	45495550	UQMFFGIPCYDMMM-UHFFFAOYSA-N	390.440	2.152	0	1	GEAF	
CC[C@@H]1[C@H]2OC(=O)[C@@](C)(O)[C@H]2[C@]23CC[C@@H]([C@@H]4C[C@H](C)C(=O)O4)N2CCCC[C@H]13	70454820	SVSUKQDSRBZWNP-DMGQJRCBSA-N	391.508	2.274	0	1	GEAF	biogenic,in-vitro
CCOC(=O)c1oc2ccc(OC(C)=O)c(CNC(C)=O)c2c1NC(C)=O	71296339	FZYOBJLOJOGWPL-UHFFFAOYSA-N	376.365	2.129	0	1	GEAF	
O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(NCc3ccccc3F)nc(Cl)nc21	84615047	VPBQQBZHAFGKAF-HLXQIYJLSA-N	389.818	2.144	0	1	GEAF	
Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)sc1C(=O)c1cccc(O)c1	96905490	NLJDTIKYZFFWOD-UHFFFAOYSA-N	390.446	2.053	0	1	GEAF	
O=C(O)c1cn(C2CC2)c2cc(-n3cc(CN4CCCC4)nn3)c(F)cc2c1=O	98085180	CVMIQHBEWOFHMX-UHFFFAOYSA-N	397.410	2.350	0	1	GEAF	
COc1cc2c(cc1OC)[C@@H](c1ccc(S(C)(=O)=O)nc1)N(C)[C@@H](C)C2	962621160	IOMHRHKBBZPJOP-HXPMCKFVSA-N	376.478	2.468	0	1	GEAF	
COCCOc1n[nH]c2cc(NC(=O)N[C@@H](c3ccccc3)C3(O)CC3)ncc12	1772652903	COSFPNXEGJSEDX-KRWDZBQOSA-N	397.435	2.371	0	1	GEAF	
CN(C)c1ccc(CNC(=O)[C@H]2CNC[C@@H]2c2ccc(C(F)(F)F)nc2)cn1	1857591260	LBFVNOVDOQCLIY-CABCVRRESA-N	393.413	2.181	0	1	GEAF	
COC(=O)c1ccc2nc(CO[C@@H]3CN(C(=O)c4cccnc4)C[C@H]3F)[nH]c2c1	2356360009	XCGZRYQRRSHFBI-RHSMWYFYSA-N	398.394	2.124	0	1	GEAF	
C[C@]12CC[C@@H](O)[C@](C)(CO)[C@@H]1CC[C@@H](O)[C@H]2CC(=O)NCc1ccc(F)cc1	2356644816	USQJMVUJYMEINF-OYSQMQRMSA-N	393.499	2.379	0	1	GEAF	
CC=C(C)C(=O)O[C@@H]1C[C@H]2C[C@H](OC(=O)C=C(C)C(=O)OCC)C[C@H]1N2C	2356668790	BMCYUBMWFPFWQQ-YYIAUSFCSA-N	379.453	2.152	0	1	GEAF	
Cc1ccc(-n2[nH]cc3c(=O)nc(SCC(=O)N4CCCCC4)nc2-3)cc1	12732148	PNYPWCJLEQACJQ-UHFFFAOYSA-N	383.477	2.473	0	3	GEAF	
Cc1oc(=O)c2c(c1C)O[C@@]1(C)[C@@H](C2)[C@]2(C)CCC(=O)C(C)(C)[C@@]2(O)C[C@H]1O	2356327497	BYDBIWUWHHXUSH-DLVSWGPDSA-N	390.476	2.458	0	1	GEAF	
O=C(C(=O)N1CCN(C(=O)c2ccc(F)cc2)CC1)c1c[nH]c2ccccc12	3591498	LOLAKLZPTCYTEF-UHFFFAOYSA-N	379.391	2.474	0	1	GEAF	
CO/C(O)=C1\C(C)=Nc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccc(Cl)cc1	101738160	ZOORQMCEHIODBJ-VLURKWGBSA-N	375.812	2.391	0	1	GEAF	
Cn1c(CCOc2ccc(C[C@H]3SC(=O)NC3=O)cc2)nc2cccnc21	26820372	UMPQVFXUVKKTHO-OAHLLOKOSA-N	382.445	2.484	0	1	GEAF	
CC=C[C@@H]1O[C@]2(O)C(=O)NC(=Cc3ccccc3)C(=O)N2[C@@H]2[C@H](C)CCC[C@@H]12	2356700674	DQBLPIKDHLUJNM-LDZBLPKXSA-N	382.460	2.412	0	1	GEAF	
COc1cc2nc(N3CCC(O)CC3)nc(NC[C@H]3CCCO3)c2cc1OC	82119682	LLKFZZHHLBPEKQ-CQSZACIVSA-N	388.468	2.199	0	1	GEAF	
C=CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1	84671690	FYDGIPZGOAHZLU-UHFFFAOYSA-N	395.481	2.053	0	1	GEAF	
CC(C)N(C[C@H]1N[C@H](CO)[C@@H]1c1ccc(C2=CCCC2)cc1)C(=O)CN(C)C	95871907	FBLRXZXDZPJAAN-MQSCRBSSSA-N	385.552	2.469	0	1	GEAF	
Nc1cc2nc(CCNS(=O)(=O)c3c(Cl)cccc3Cl)[nH]c2cn1	586941759	BFPVMGXFDDBPNO-UHFFFAOYSA-N	386.264	2.368	0	1	GEAF	
NS(=O)(=O)Cc1ccc(-c2nc3nc(Cl)nc(C(F)(F)F)c3[nH]2)cc1	586929452	DBJABLVFLICJTB-UHFFFAOYSA-N	391.762	2.481	0	1	GEAF	
CN(C)C(=O)c1ccc2c(c1)[C@](CC(=O)c1ccn(C)n1)(C(F)F)NCC2	962923702	JLMPSJSSCAXOHT-LJQANCHMSA-N	376.407	2.001	0	1	GEAF	
COC[C@H]1O[C@@H](N2C(=O)N=C(O)[C@@H]3C=C4CCCCC4=C[C@@H]32)[C@@H](OC)[C@@H]1OC	5922720	NCOAINMYTSTAHN-CMCNVBFXSA-N	392.452	2.205	0	1	GEAF	
O=C(Cn1nnnc1CN1CCCCCC1)N1CCCC[C@@H]1c1cccnc1	11937993	DEOXSDDRYOAKAX-GOSISDBHSA-N	383.500	2.198	0	1	GEAF	
CCc1n[nH]c(C(=O)N2CCC[C@@H](CNS(=O)(=O)c3cccs3)C2)c1C	12445450	JWINJAHWUXPOTM-ZDUSSCGKSA-N	396.538	2.173	0	3	GEAF	
Cc1cc(-n2cc(-c3ccc(N)cc3)nn2)n(-c2ccc(S(C)(=O)=O)cc2)n1	1857565447	FYZITHQCANUQCP-UHFFFAOYSA-N	394.460	2.414	0	1	GEAF	
COc1ccccc1-c1nn(-c2ccccc2)cc1-c1nnn(CC(=O)O)n1	1857565634	YYJICROFVATQGX-UHFFFAOYSA-N	376.376	2.286	0	1	GEAF	
C=CC(=O)Nc1cccc(CNc2cc(Nc3cnn(CCO)c3)ncn2)c1	1857613275	AHPIVFOBWWDFQU-UHFFFAOYSA-N	379.424	2.146	0	1	GEAF	
CC(C)COC(=O)[C@H](Cn1ccnc1)NC(=O)c1cnc(-c2ccccc2)nc1	1857752695	VHCWPLIPWAFAMW-SFHVURJKSA-N	393.447	2.338	0	1	GEAF	
Cc1ccc(NCc2nnc(SCC(N)=O)n2C[C@H]2CCCO2)c(C)c1	923542	HRIGAIGCSQNYTO-CQSZACIVSA-N	375.498	2.263	0	3	GEAF	
C[C@@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCC(=O)O	4111484	MIMWJUKLAANCKS-CYBMUJFWSA-N	380.466	2.004	0	3	GEAF	
O=C(NC1CCCCC1)NC1(C(=O)NCCCN2CCOCC2)CCCCC1	26439973	LGBHZJKEFHRCOV-UHFFFAOYSA-N	394.560	2.160	0	3	GEAF	
Cc1ccc(C2=Nn3c(nnc3-c3ccc(S(N)(=O)=O)cc3)SC2)cc1	103269622	CJYRWDLBYJRULF-UHFFFAOYSA-N	385.474	2.259	0	1	GEAF	
Cc1c(C)c2c(c(C)c1O)[C@H](CN1CCN(CCOCCO)CC1)C(C)(C)O2	22934295	XEXAAIMYBATELA-SFHVURJKSA-N	392.540	2.199	0	1	GEAF	
COc1ccc(OC)c(NC(=O)CSc2nc(=O)cc(O)n2CC(C)C)c1	104083012	LDOIXRXMHKLWQF-UHFFFAOYSA-N	393.465	2.353	0	3	GEAF	
CC(=O)O[C@@H]1CCC(C)(C)[C@]2(O)C[C@H](O)[C@@H]3[C@H](C)C4=CC(=O)OC4=C[C@H]3[C@]12C	2356477482	XQDLWVYAAGRVLS-WLTLOHABSA-N	390.476	2.489	0	1	GEAF	
Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCOCC3)cc2)cn1	224807603	VXPFJRKNBQNCJH-UHFFFAOYSA-N	396.472	2.414	0	1	GEAF	
CCN1C[C@]2(C)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6CC[C@@](O)([C@H]5C(=O)O6)[C@@H](C[C@@H]32)[C@@H]14	255211554	FYWKVUJEFHOLFV-IHABHUDHSA-N	375.509	2.215	0	1	GEAF	
CC(=O)Nc1cc(Nc2nccnc2NS(=O)(=O)c2ccccc2)ccn1	299819301	ASERMXHGQSMWAM-UHFFFAOYSA-N	384.421	2.374	0	1	GEAF	
CNS(=O)(=O)N1CCC(c2nc3ccc(OC(F)(F)F)cc3[nH]2)CC1	586954998	RDLOJDADOPOQFA-UHFFFAOYSA-N	378.376	2.105	0	1	GEAF	
CC(=O)N1CCN(CCNc2cn(-c3ccc(Cl)c(Cl)c3)nn2)CC1	209681829	XAGAEJWVAGEOND-UHFFFAOYSA-N	383.283	2.150	0	1	GEAF	
Cc1ccc2c(c1)CN(CCNC(=O)[C@H]1CC(=O)N(CC(C)C)C1)C[C@@H](C)O2	11839059	KFDBEKAQVWVNHA-MJGOQNOKSA-N	387.524	2.199	0	1	GEAF	
CC(C)(C)NC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)c[nH]c3=O)nc12	169704270	SPGMDULIPMJULM-OAHLLOKOSA-N	398.442	2.427	0	1	GEAF	
COc1ccccc1N1CCN(Cc2ccc(CN3CCCC3=O)n2C)CC1	13449341	ODMHGYCMTWTSGP-UHFFFAOYSA-N	382.508	2.478	0	1	GEAF	
COc1cc2c(cc1OC)[C@@]1(C(=O)c3ccc4c(c3[C@@H]1O)OCO4)N(C)CC2	14684980	CSJAPFGQQAVKGU-SFTDATJTSA-N	383.400	2.046	0	1	GEAF	biogenic
Cc1cc(OCC(=O)O)c(C)c2c1CC[C@H]([C@H](C)C(=O)N1CCOCC1)C2	25206839	VFMGMPWZEVOXRA-HOCLYGCPSA-N	375.465	2.367	0	1	GEAF	biogenic
Nc1cccc(C(=O)NCC(=O)N[C@@H]2CCN(Cc3ccc(Cl)cc3)C2)c1	29125325	OUHOTFRVZFOLFG-GOSISDBHSA-N	386.883	2.043	0	1	GEAF	
O=C(Nc1nnc(C(=O)Nc2ccc(N3CCOCC3)cc2)o1)c1ccccc1	34842647	SIQZBMCHNIQQOL-UHFFFAOYSA-N	393.403	2.411	0	1	GEAF	
CNC(=O)c1nc(-c2nnc(Cc3ccc(F)cc3)o2)c(O)c2ncccc12	40872690	JKIBMLYQURLQOD-UHFFFAOYSA-N	379.351	2.475	0	1	GEAF	
CSCCCNC(=O)C[C@@H]1C(=O)NCCN1Cc1c(F)cccc1Cl	55099974	ITSJHXGRUPHQGH-OAHLLOKOSA-N	387.908	2.039	0	1	GEAF	
COC[C@H]1CN(c2ccc(-c3ccc(-c4nnn(C)n4)nc3)c(F)c2)C(=O)O1	71318600	AEFANRYENYLABF-CYBMUJFWSA-N	384.371	2.050	0	1	GEAF	
COc1ccc2nc(C)cc(NC(=O)CN3C[C@H](CNC4CC4)OC3=O)c2c1	72119857	OSTUZQMHWUFUCP-HNNXBMFYSA-N	384.436	2.063	0	1	GEAF	
CCCCn1c(=O)c(C(=O)NC2C[C@H]3CC[C@H](C2)N3C)c(O)c2cccnc21	100743177	XLVVGMWYXBVUJZ-HUUCEWRRSA-N	384.480	2.257	0	1	GEAF	
CC[C@H](CO)Nc1cc(NS(C)(=O)=O)nc(SCc2ccccc2)n1	113942432	HZUOYFVCWNCBLS-CYBMUJFWSA-N	382.511	2.323	0	1	GEAF	
C[C@H](/C=C/C(=O)O)[C@]1(C(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	587601687	FKUZAFHHCFLXBV-IECWDHPDSA-N	384.340	2.454	0	1	GEAF	
CCN(CC)C[C@@H]1CN2CC[C@H]1C[C@@H]2CNS(=O)(=O)c1ccc(OC)cc1	2356298413	BNOHPXUQPWJENJ-RCCFBDPRSA-N	395.569	2.026	0	1	GEAF	
CC=C(C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(O)C[C@@H]2CCC[C@@H](C(=O)O)[C@@]21C	2356411748	XZBCMOCFJJECSB-GPRKQYDYSA-N	378.421	2.337	0	1	GEAF	
CN(C)CCc1cc2c(cc1C(=O)[C@@H]1O[C@H](O)c3c1ccc1c3OCO1)OCO2	2356474963	KZBMUCKOVJMMQM-CTNGQTDRSA-N	399.399	2.193	0	1	GEAF	
Cc1cc(O)cc2oc3c(c(=O)c12)[C@@](C)(Cc1cc(O)cc(=O)o1)C[C@@H](O)C3	2356729087	FYYKXVHQNPFCQK-YEJXKQKISA-N	384.384	2.273	0	1	GEAF	
COc1ccc(-c2ccnc(N[C@@H]3CO[C@H]4[C@H]3OC[C@H]4NCC(C)C)n2)cc1	2356824290	GUHHDORKOQQQPF-WTGUMLROSA-N	384.480	2.345	0	1	GEAF	
Cc1cc(=O)nc2c3ccccc3n(CC(=O)NCCCN3CCCC[C@H]3C)n12	2947695	WNMUIXDPMGYNEQ-MRXNPFEDSA-N	395.507	2.338	0	3	GEAF	
O=C(NCc1ccccc1F)[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3)C[C@@]23C=C[C@H]1O3	201452575	CZTWQOPZMQHHBS-AWWSKVOZSA-N	392.430	2.424	0	3	GEAF	
C[C@H]1COC[C@@H](C)N1S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CCC1	201469259	CDGAYPGCWRMVFV-OKILXGFUSA-N	378.494	2.174	0	3	GEAF	
CC(C)(C)NC(=O)CN(C(=O)[C@]1(C)CC(=O)N=C2C=CC=CN21)C1CCCC1	4400648	FJMXOOOTDRKMNF-NRFANRHFSA-N	386.496	2.145	0	3	GEAF	
O=C1CC[C@@H](CN(Cc2ccc(F)cc2)S(=O)(=O)c2cccc(F)c2)N1	103239947	DASVEQQGLSLEPU-INIZCTEOSA-N	380.416	2.434	0	1	GEAF	
CCCC[C@@]1(Cc2cc(OC)c(OC)c(OC)c2)C(=N)NC(=S)NC1=O	103203592	GHDWNRYZRUDACD-GOSISDBHSA-N	379.482	2.413	0	1	GEAF	
COc1ccc2c(c1)[C@]1(N=c3ccccc3=C3Nc4ccccc4N31)C(=O)N2C	100564648	KUGSXRZZJLNXNN-HSZRJFAPSA-N	382.423	2.156	0	3	GEAF	
CCOC(=O)C[C@@H](O)[C@@H](CC(C)C)NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C	28012659	FOQFTNGVLMVBTQ-MDZRGWNJSA-N	386.533	2.018	0	1	GEAF	
COc1ccccc1NC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(C)=O	95894617	QJDNWBNBGNMAFV-NLWGTHIKSA-N	381.432	2.423	0	1	GEAF	
C/C=C/c1ccc([C@@H]2[C@H](CO)N(C(C)=O)[C@H]2CN(C(=O)COC)C(C)C)cc1	95895728	HKSWFDSECWATDS-QIXXBOEMSA-N	388.508	2.278	0	1	GEAF	
CC[C@@H](c1nc2cc(N)ncc2[nH]1)n1cc(I)c(C)n1	587184673	LQLZDIAXNOZJTE-NSHDSACASA-N	382.209	2.649	0	1	GEAF	
CC1(CC(=O)N2CCC3(CC2)C[C@@H]3CNC(=O)N2Cc3ccncc3C2)COC1	1772618272	XTLQWWOBQUJTIR-GOSISDBHSA-N	398.507	2.162	0	1	GEAF	
COCC1=C2C(=C3[C@@H](CC[C@@]3(C)O)[C@](C)(OC)C[C@@H]2OC(=O)C(C)C)OC1=O	14758202	XZSQKTAOCRTGDC-RZVAPFGTSA-N	394.464	2.278	0	1	GEAF	
O=C([C@@H]1CN[C@H](C(=O)N2CCCC2)C1)N1Cc2ccc(C(F)(F)F)cc2C1	14949296	ZXYMQVABWZXTNI-BBRMVZONSA-N	381.398	2.148	0	1	GEAF	
CC(=O)N1CCN(C(=O)C2(NC(=N)Nc3ccc(C)cc3)CCCCC2)CC1	1857556045	NFVVPTQVHGBUAA-UHFFFAOYSA-N	385.512	2.325	0	1	GEAF	
N=c1nc(-c2ccccc2CO)[nH]c(=NCc2ccccc2C(F)(F)F)[nH]1	1857619686	USNXWHCIYPFXDY-UHFFFAOYSA-N	375.354	2.496	0	1	GEAF	
O=C(O)CNC(=O)c1ccc2cc(-c3cn(Cc4ccccc4)nn3)ccc2n1	1857637718	KFIZBCPCDDZUNK-UHFFFAOYSA-N	387.399	2.356	0	1	GEAF	
Cc1noc(C)c1S(=O)(=O)N1CCC[C@@](C)(C(=O)NCc2ccccc2)C1	65059585	VRDAQRSWEPBJNK-LJQANCHMSA-N	391.493	2.399	0	1	GEAF	
CC(C)(C)c1ccc(S(=O)(=O)NC(=O)[C@]2(C)CCN2C(=O)C2CC2)cc1	61898502	FURAIJKNKNOEMX-IBGZPJMESA-N	378.494	2.190	0	3	GEAF	
O=S(=O)(NCC1CC1)c1ccc(NN2CCOCC2)cc1C(F)(F)F	35683197	GBKYWMPQGYRQAQ-UHFFFAOYSA-N	379.404	2.053	0	1	GEAF	
COCCNC(=O)c1ccc2c(c1)S(=O)(=O)c1cc(Cl)ccc1C2=O	36388423	ZNTMIPHOKMUHNP-UHFFFAOYSA-N	379.821	2.093	0	3	GEAF	
COCCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1coc2ccc(C)cc2c1=O	71342026	SSOOCDMKAYHDLE-MRXNPFEDSA-N	388.445	2.084	0	1	GEAF	
CCCCn1nnnc1[C@H](CC)N1CCC2(CC1)C(=O)NCN2c1ccccc1	72135966	BYHUUPHQQOJETQ-SFHVURJKSA-N	397.527	2.353	0	3	GEAF	
O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(N[C@H](CC3CC3)C3CC3)nc(Cl)nc21	95555135	OSRIGBPVOYCSJJ-ONSZXBOBSA-N	389.887	2.383	0	1	GEAF	
COCC(=O)N(C[C@H]1N[C@H](CO)[C@H]1c1ccc(-c2cccnc2)cc1)C(C)C	95895189	LCMOQOZTZIIBJI-SJBKTWHCSA-N	383.492	2.048	0	1	GEAF	
CCCNC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@@H]2N1CCC	95880818	AXLRHAPRWRTWRE-MMKMLUHNSA-N	399.535	2.315	0	1	GEAF	
Fc1ccc(-c2cnc3nnc(CSc4ncnc5[nH]ncc45)n3n2)cc1	95554870	LIZUGKAHGHZZIC-UHFFFAOYSA-N	379.384	2.284	0	1	GEAF	
O=C(Nc1ccccc1F)N[C@H]1CC[C@@H](CC(=O)N2CCCCC2)O[C@@H]1CO	95675431	QWOFJLPZBFRYTI-JCGIZDLHSA-N	393.459	2.258	0	1	GEAF	
O=C(O)CCNc1nc(N2CCc3ccccc3CC2)cc(-n2cccn2)n1	653709683	HBCNJLXHGDFTOZ-UHFFFAOYSA-N	378.436	2.154	0	1	GEAF	
COc1cc2c3c(c1)O[C@]1(CCN(C(=O)C(F)(F)F)/C1=C/N(C)C)[C@@H](C2)C3=O	587422163	SBRATXSPICAVPR-LWSRFNSDSA-N	396.365	2.379	0	1	GEAF	
CCOCc1ccc(-c2nc3cc(S(=O)(=O)N4CCOCC4)ccc3[nH]2)o1	586902510	FOGXXUNHFFZTAO-UHFFFAOYSA-N	391.449	2.380	0	1	GEAF	
CC(C)(C)OC(=O)Nc1nnc(Cc2nc3ccc([C@@H](N)N=O)cc3[nH]2)s1	587024191	POARPTMYZORZIQ-ZDUSSCGKSA-N	389.441	3.076	0	1	GEAF	
COC(=O)[C@@]1(c2c[nH]c3ccc(F)cc23)N[C@H](C(=O)O)Cc2ccc(O)c(C)c21	963512489	WQIBZIVPKUMAEA-KKSFZXQISA-N	398.390	2.337	0	1	GEAF	
Cc1c(O)ccc2c1[C@H](c1ccc(CN3CCOCC3)s1)N[C@H](C(=O)O)C2	963512530	XBTPTMIZGDHGHF-KXBFYZLASA-N	388.489	2.283	0	1	GEAF	
C[C@]1([C@@H]2C=C(C(=O)O)NN2c2ccccc2)N[C@H](C(=O)O)Cc2cc(F)ccc21	962894027	GWNVLYZBEKNGJH-MDKPJZGXSA-N	397.406	2.002	0	1	GEAF	
Cc1cc(C)c(Nc2nc(NCCn3ccc(O)nc3=O)ncc2N)c(C)c1	1772584405	KUCCFFYFCSCWQI-UHFFFAOYSA-N	381.440	2.102	0	1	GEAF	
N#Cc1ccc(=O)n([C@@H]2CCN(C(=O)OC3[C@H]4CC5C[C@H]3CC(O)(C5)C4)C2)c1	168869155	PAWBOKLTCMTLPR-AFSTWNBGSA-N	383.448	2.043	0	1	GEAF	
O=C1C[C@]2(C(=O)Nc3cc(O)ccc32)[C@H](c2c[nH]c3ccccc23)[C@@H](CO)O1	205281583	XCQTTZQZEJVNMJ-YFVAEKQCSA-N	378.384	2.155	0	1	GEAF	
Cc1ccc2c(c1)cc([C@@H]1CC(c3ccccn3)=NN1C(N)=S)c1nnnn12	1857560711	PBLRJMPHSRXSKB-KRWDZBQOSA-N	388.460	2.376	0	1	GEAF	
C[C@H]1C=C[C@@]2(C)CCCC[C@]2(C)[C@H]1C(=O)[C@@H]1C(=O)N2CC[C@H]3C(=O)O[C@@H]1[C@]32O	100089530	WOAILDKFDXKSIY-OMKDVXPQSA-N	387.476	2.057	0	1	GEAF	in-vitro
Cc1nn(-c2ccc(=O)n(CC(=O)Nc3ccc(F)cc3)n2)c(C)c1Cl	103280310	OEHIZFZEHRHGNC-UHFFFAOYSA-N	375.791	2.477	0	1	GEAF	
CCC(=O)O[C@H]1[C@@H](OC(=O)C[C@@H](C)CC)CC(C(=O)OC)=C[C@H]1OC(C)=O	2356506032	YFKOHXYZUOKJHH-ZJQCNOOHSA-N	384.425	2.091	0	1	GEAF	
CC(C)CN1CCC[C@@H]1c1nc(C2=C[C](N3CCC(C(N)=O)CC3)NC=C2)no1	2356843237	BTAGSHVUSSLGLR-QGZVFWFLSA-N	399.519	2.050	0	1	GEAF	
O=C1CN(C(=O)CSc2ncnc3c(C4CC4)c(Cl)sc23)CCN1	1911577360	BXYVGGORYOZUTN-UHFFFAOYSA-N	382.898	2.273	0	1	GEAF	
COc1ccccc1CCN1CC(C(=O)NCc2ccc(F)cc2)=C(O)C1=O	40412161	CBTMLQQUKGUWIY-UHFFFAOYSA-N	384.407	2.348	0	1	GEAF	
CC(=O)NCCNC(=O)c1cnc(N2C[C@H](C)C[C@@H](C)C2)nc1-c1ccccc1	82133896	BGZMKUGKNQMCIG-HZPDHXFCSA-N	395.507	2.492	0	1	GEAF	
CNc1nc(N2CCN(c3ccccn3)CC2)nc2cc(OC)c(OC)cc12	82131944	BOCGYSMMKAENQJ-UHFFFAOYSA-N	380.452	2.410	0	1	GEAF	
CCOc1ccc2cc(-c3nn(CC(C)(C)CO)c(N)c3C(N)=O)cnc2c1	221714637	JNCYMMFOKVMRMU-UHFFFAOYSA-N	383.452	2.197	0	1	GEAF	
COc1cc(N2CCN(C(=O)Cn3nc(N)c(Cl)c3C)CC2)ccc1Cl	95581577	VGXBFQKKHHKYHN-UHFFFAOYSA-N	398.294	2.438	0	1	GEAF	
CN1C(=O)[C@]2(N=C1N)c1cc(-c3cccnc3F)ccc1O[C@@]1(C)CCCO[C@@H]12	144269764	RYCBSDWTFORSET-YYWHXJBOSA-N	396.422	2.200	0	1	GEAF	
COC(=O)[C@@H]1C[C@@]23C(=O)[C@H]4C[C@H]5N(C[C@H]4C)C[C@@H](C[C@H](O)C4=C2[C@@H]1CC4)[C@]53C	653803602	GCEFRAYTSJZBOM-XIRAYGPTSA-N	385.504	2.182	0	1	GEAF	
Cc1ncccc1CNC(=O)Cn1c(C)cnc(NCCc2ccccc2)c1=O	13493136	ZWUFFLCHMLJDOS-UHFFFAOYSA-N	391.475	2.226	0	1	GEAF	
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1CN(C)C	13863366	KJJDJFMHYGBDRW-UGKGYDQZSA-N	381.520	2.394	0	1	GEAF	
C[C@@H](N=c1nc(-c2cccc(N3CCC3)n2)[nH]c(=N[C@H](C)C2CC2)[nH]1)C1CC1	1857649561	HSMKSLUXGRHQJU-ZIAGYGMSSA-N	379.512	2.408	0	1	GEAF	
CN(C)c1nc(NCC2CCC(CNS(C)(=O)=O)CC2)nc2ccccc12	28522841	XPKLCTLEXRSJEM-UHFFFAOYSA-N	391.541	2.463	0	1	GEAF	
CC1(C)[C@@H](OC(=O)[C@H](NC(=O)[C@@H](N)CC(=O)O)c2ccccc2)[C@@H]2CC[C@@H]1C2	103042218	YFVRRMMIGHFGGP-XHHISWJOSA-N	388.464	2.014	0	1	GEAF	
O=C(Nc1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1F)[C@H]1CCCNC1	139593243	HMBKEOFNHNZWDJ-AWEZNQCLSA-N	384.455	2.317	0	1	GEAF	
Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2cccc(S(N)(=O)=O)c2[nH]1	587116987	OUQVBYAMECYJRA-UHFFFAOYSA-N	379.751	2.283	0	1	GEAF	
CCOC(=O)CCCC(=O)NCCC[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3	587428841	LNKLSBUXBZVCLS-JKSUJKDBSA-N	389.448	2.441	0	1	GEAF	
COc1cc2c3c(c1)O[C@]1(CN(Cc4ccccc4)C[C@@H]1C(=O)O)[C@@H](C2)C3=O	587438699	QRODMCUBSZITHQ-GSHUGGBRSA-N	379.412	2.398	0	1	GEAF	
C[C@H]1CC(=O)N(CC(=O)N2CCN(c3cccc(Cl)c3Cl)CC2)C1=O	653723337	SPJQMXNLAWAVDL-NSHDSACASA-N	384.263	2.037	0	1	GEAF	
COCCn1c(=O)n(CCc2ccccc2)c(=O)c2c(C)c(C(=O)O)sc21	1857544635	IAPAIDZWKHYVMP-UHFFFAOYSA-N	388.445	2.120	0	1	GEAF	
Cc1c(N2CC[C@H](NCCF)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12	6520877	BWWJJEXAWHIZKB-ZDUSSCGKSA-N	391.418	2.460	0	1	GEAF	
Cc1c(N2C[C@@H](N)[C@H](CF)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12	6520992	AADYLSNYLTUYNV-IAQYHMDHSA-N	377.391	2.056	0	1	GEAF	
O=C(NCc1cccs1)[C@H]1[C@@H]2C=C[C@]3(CN(Cc4cccs4)C(=O)[C@H]13)O2	102127620	DXCOMXHKAVHGJW-IUVQAAGXSA-N	386.498	2.408	0	1	GEAF	
COc1cc(-c2cn([C@@H]3C(=O)N[C@H]4CC[C@H]3C4)nn2)ccc1-n1cnc(C)c1	101504725	XFUQJGQSRHSODW-DOXZYTNZSA-N	378.436	2.287	0	1	GEAF	
CC(=O)O[C@@H]1[C@@]2(C)C=C[C@]13[C@@H](CC2)[C@@]1(C)CC[C@@H](O)[C@@](C)(CO)[C@H]1C[C@H]3O	2356461024	SDTBVAOPLRNVMA-WAYZDHIESA-N	378.509	2.431	0	1	GEAF	
c1ccc(CN[C@@H]2CO[C@@H]3[C@@H]2OC[C@H]3n2cc(COc3ccccc3)nn2)cc1	2356861453	UJEYIAZWIUPQFL-YSFYHYPLSA-N	392.459	2.354	0	1	GEAF	
CN1CCN(c2cc(-c3cccc(I)c3)nc(N)n2)CC1	40828356	UIAFEYRHHDAHSN-UHFFFAOYSA-N	395.248	2.082	0	1	GEAF	
CC(C)Oc1cc2c(-c3cc(N4CCN(C)C(=O)C4)ncn3)n[nH]c2cc1F	225556797	PFCZYQAJIMLEAT-UHFFFAOYSA-N	384.415	2.225	0	1	GEAF	
CNC[C@@H]1Oc2ncc(-c3ccc(C)cc3)cc2C(=O)N([C@H](C)CO)C[C@H]1C	95871802	JKHLNYMUPUVSIB-QINHECLXSA-N	383.492	2.497	0	1	GEAF	
NS(=O)(=O)c1ccc(CCc2nc3c(F)cnc(Br)c3[nH]2)cc1	586929780	JLWULRWKWQNIAM-UHFFFAOYSA-N	399.245	2.292	0	1	GEAF	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(NCC(=O)O)nc2)N1	587752586	DSQNCCMPQINWIA-VXJOIVPMSA-N	395.232	2.498	0	1	GEAF	
Cc1nc2c(N3CCOCC3)nccn2c1-c1cnn(Cc2ccncc2)c1	169333455	MYGDMTAGMBHPNC-UHFFFAOYSA-N	375.436	2.181	0	1	GEAF	
CN(C)C(=O)N1CC[C@H](n2cc(-c3ccc4c(c3)OCO4)c3c(N)ncnc32)C1	1857542205	XMYYLQOZLXLTMG-ZDUSSCGKSA-N	394.435	2.338	0	1	GEAF	
COCc1nnc(N2CC3(C2)OCc2cc(F)ccc23)n1-c1ccc(OC)nc1	1857574379	VYZFLADYPWMVSN-UHFFFAOYSA-N	397.410	2.202	0	1	GEAF	
CCOC(=O)c1nnn(-c2ccc(S(N)(=O)=O)cc2)c1-c1ccc(C)cc1	1857651966	LMNCDPRRPSWTCG-UHFFFAOYSA-N	386.433	2.067	0	1	GEAF	
Cn1cnnc1SCCc1nnc(SCC(=O)Nc2ccc(F)cc2)o1	1857773747	JEJLCLPBZAFFIF-UHFFFAOYSA-N	394.457	2.403	0	1	GEAF	
COc1ccc2nc(C[C@@H]3CN(Cc4cnc[nH]4)CC[C@H]3CC(=O)O)[nH]c2c1	2356305742	CESDXXRHAKAMST-UONOGXRCSA-N	383.452	2.450	0	1	GEAF	
CC(=O)[C@H]1[C@H](c2cccc(Br)c2)NC(=O)N[C@]1(O)C(F)(F)F	2458386	CWAAEQZINSDVHP-JBLDHEPKSA-N	381.148	2.259	0	1	GEAF	
COc1cc2c(cc1OC)[C@H](C(=O)NC[C@@H]1CCCO1)[C@H]1CCCCN1C2=O	4563960	XTGIYWNPRRNBIB-CRFBAAHOSA-N	388.464	2.091	0	1	GEAF	
Cn1cc(C(F)(F)F)c(C(=O)N2CCN(CC(=O)c3ccc(F)cc3)CC2)n1	58568779	MEFMKXUHBCMRKM-UHFFFAOYSA-N	398.360	2.219	0	1	GEAF	
COc1ccc(CN[C@@H]2C[C@H](O)[C@H](CO)[C@@H]2Cc2ccnc(C(C)C)n2)cc1	2356288821	LJTIMLQZYYXGBR-BQJUDKOJSA-N	385.508	2.299	0	1	GEAF	
O=C1COc2c(cc(O)cc2[C@H](O)CNCCCc2cc(F)cc(F)c2)N1	1911578255	GVLKJLXWNIBYSP-QGZVFWFLSA-N	378.375	2.257	0	1	GEAF	
CC(C)(C)NC(=O)c1c[nH]c2ncc(Nc3ccnc(S(C)(=O)=O)c3)nc12	145128108	YUUBIYZWTLTWIP-UHFFFAOYSA-N	388.453	2.028	0	1	GEAF	
COC[C@H]1CCCN1c1cc(Nc2ncccn2)nc(-n2nc(C)cc2C)n1	95922005	IEVAHKNCVKHJOO-OAHLLOKOSA-N	380.456	2.428	0	1	GEAF	
CCCNC(=O)N1[C@@H](CO)[C@H](c2ccccc2)[C@@H]1CNC(=O)c1ccccc1	95895326	BDBCNCHRSQLNJW-SLFFLAALSA-N	381.476	2.365	0	1	GEAF	
CN(C)C(=O)[C@H]1CCc2nnc(CNC(=O)c3ccc(Cl)cc3Cl)n21	299852572	UVEJEYNXXYDLRE-GFCCVEGCSA-N	382.251	2.090	0	1	GEAF	
CC[C@@H](c1nc2c(N)ncnc2[nH]1)n1cc(I)c(C)n1	587185297	RKULXDNDNOLPKK-QMMMGPOBSA-N	383.197	2.044	0	1	GEAF	
O=C1COc2cc3nc(-c4cccnc4S(=O)(=O)C(F)(F)F)[nH]c3cc2N1	587127069	LKXFXYRHCCZUOD-UHFFFAOYSA-N	398.322	2.249	0	1	GEAF	
O=C(CS(=O)(=O)Cn1cc(Cl)cn1)n1nc2cc1Oc1ccc(F)cc1-2	587876733	XLPJZSMDVHLPNA-UHFFFAOYSA-N	396.787	2.358	0	1	GEAF	
O=C(c1ccc2nc(CCc3ccccc3F)[nH]c2c1)N1CCN(CCO)CC1	587148260	AEYCITVWEFQDFZ-UHFFFAOYSA-N	396.466	2.237	0	1	GEAF	
COc1cc2c3c(c1)O[C@@](C)(c1cnc4c(C(=O)O)cnn4c1C)[C@@H](C2)C3=O	587436364	ONSAZTLLRSGJMB-RNODOKPDSA-N	379.372	2.407	0	1	GEAF	
O=C1NC(=O)[C@](CNC(=O)c2cc3cc(C(F)(F)F)ccc3o2)(C2CC2)N1	1772604144	INOYENJSYPDBEC-INIZCTEOSA-N	381.310	2.170	0	1	GEAF	
O=c1[nH]c(=O)n(COCCO)c2c1[C@H](c1ccccc1)Nc1ccccc1S2	13741657	JYKYOVXXJQSUJE-KRWDZBQOSA-N	397.456	2.169	0	1	GEAF	
O=C1N=c2ccccc2=C1/C=C1\Nc2ccccc2C(=O)N1c1ccc(O)cc1	18096109	KVTJBILBDRDCEW-FYJGNVAPSA-N	381.391	2.317	0	3	GEAF	
O=C(NCc1ccco1)[C@@H](Cc1ccccc1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O	169687768	VWNCTUPXYXYUEH-ORFRNNEJSA-N	390.439	2.314	0	1	GEAF	
CC[C@H](C)[C@H](OC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](C(=O)OC(C)(C)C)C(C)C	2356332876	KBTKFANUSQUABR-JONQDZQNSA-N	386.533	2.410	0	1	GEAF	
O=C(NCCOCCO)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccoc1	4055183	YAPVXSCWGNAJCZ-WBVHZDCISA-N	378.812	2.150	0	1	GEAF	
O=C(NCc1ccccc1Cl)[C@H]1CCCN(S(=O)(=O)c2cccnc2)C1	4919414	NLGPJLFKHVETFV-HNNXBMFYSA-N	393.896	2.452	0	1	GEAF	
COc1cc([C@H]2OC[C@H]([C@H](O)c3ccc(O)c(OC)c3)[C@H]2CO)ccc1O	104648173	MWQRAOGWLXTMIC-RYMBOPBQSA-N	376.405	2.145	0	1	GEAF	
Nc1nc(OCc2ccc([131I])s2)c2[nH]cnc2n1	101036099	GHNFXLRNWZSYBY-YZLMXVJLSA-N	377.181	2.180	0	1	GEAF	
CCOC(=O)Oc1ccc2cc(S(=O)(=O)[C@H]3SC(=O)NC3=O)ccc2c1	29217862	FPUQWMLXNYSVHU-CQSZACIVSA-N	395.414	2.458	0	1	GEAF	
COc1ccc2nc3n(c2c1)[C@H](CNS(=O)(=O)Cc1ccccc1)COC3	2356299840	PEQIHAKABHARPJ-OAHLLOKOSA-N	387.461	2.236	0	1	GEAF	
C[C@H]1CCC[C@H](C)C1OC(=O)[C@H](NC(=O)[C@@H](N)CC(=O)O)c1ccccc1	26004268	GKBCQEIQIMXSPJ-GZIXRCOHSA-N	376.453	2.014	0	1	GEAF	
CC(C)(C)NC[C@@H](O)COc1ccc(NC(=O)c2cccs2)cc1C(N)=O	25977595	BLSZAHBASWFUOW-CYBMUJFWSA-N	391.493	2.227	0	1	GEAF	
COC[C@H]1CN[C@H](C)CN1CC(=O)N1CC(C)(C)c2cnc(-c3ccoc3)cc21	219006642	TUDDXSKHXFBDBC-NVXWUHKLSA-N	398.507	2.275	0	1	GEAF	
O=C(NCc1ccccc1)O[C@H]1CO[C@@H]2[C@H](OC(=O)c3ccccc3)CO[C@H]12	40949701	NIWDLVRLOCHGOV-FCGDIQPGSA-N	383.400	2.305	0	1	GEAF	in-vivo
CC1(C)CNCCN1c1cnc2cccc(-c3cc4c([nH]3)CCNC4=O)c2n1	222405765	CHSSIQHQGBQIEV-UHFFFAOYSA-N	376.464	2.099	0	1	GEAF	
CC(=O)O[C@@]1(C)CC[C@@H](C(C)C)[C@@H]2[C@@H]3O[C@@H](C[C@@](C)(O)[C@H](O)CC[C@]3(C)O)[C@@H]21	238767095	LGVNICNVBLDNFV-QKQOLSNCSA-N	398.540	2.421	0	1	GEAF	
COc1ccc(-n2cnc3c(sc4ncnc(NCCCO)c43)c2=O)cc1	95563279	YIAIDPCUWJMCJF-UHFFFAOYSA-N	383.433	2.193	0	1	GEAF	
CN(c1ncnc2[nH]ccc12)[C@H]1CC[C@H](CS(=O)(=O)N2CCSC2)CC1	261096574	FMXDXGMFDSLVIS-HDJSIYSDSA-N	395.554	2.289	0	1	GEAF	
CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3c(O)nc(S)nc3[nH]2)cc1	586936880	BANGHIIQSMVIRV-QMMMGPOBSA-N	379.467	2.091	0	1	GEAF	
CC1=C(c2ccc3nc(-c4cnc5ncnn5c4C(F)F)[nH]c3c2)NNC(=O)C1	587129287	WEARLGTVWINARC-UHFFFAOYSA-N	396.361	2.361	0	1	GEAF	
COC(=O)c1ccc2nc([C@@H](CCN(C)C)NC(=O)OC(C)(C)C)[nH]c2n1	587194465	UEWYZKFFSRXFRH-GFCCVEGCSA-N	377.445	2.262	0	1	GEAF	
CCS(=O)(=O)c1ccc2nc(CNC(=O)[C@@H](C)Oc3ccccc3)[nH]c2c1	587225807	VASPCALPTULSHO-CYBMUJFWSA-N	387.461	2.440	0	1	GEAF	
Cn1cc(CNC(=O)[C@H]2CCC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)cn1	15064952	OTVSILNYGCILRZ-HNNXBMFYSA-N	394.397	2.494	0	3	GEAF	
CCOC(=O)CCc1c(C)nc2nc(NCc3ccccc3OC)nn2c1O	15668922	GOMKQUIUXUWAHK-UHFFFAOYSA-N	385.424	2.255	0	1	GEAF	
Cc1c(NC(=O)COC(=O)[C@H]2C[C@@H]3C=C[C@@H]2C3)c(=O)n(-c2ccccc2)n1C	169303340	QXORCEWNUQJSFW-INMHGKMJSA-N	381.432	2.178	0	1	GEAF	
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(N3CCNCC3)cc2O1	1857592893	CVBSKLHFJPFWIK-UHFFFAOYSA-N	392.463	2.105	0	1	GEAF	
C[C@@]1(c2ccc(OC(F)F)cc2)NC(=O)N(CC(=O)c2cccnc2)C1=O	1857621437	UPUMHFDXDJFNCR-SFHVURJKSA-N	375.331	2.333	0	1	GEAF	
CC(=O)N1CCC2(CC1)Oc1ccccc1C(=O)N2CC(=O)NC1CCCCC1	6750538	VTLBGZOSUYTRHP-UHFFFAOYSA-N	399.491	2.309	0	1	GEAF	
CCOC(=O)N1C[C@@H]2OC(=O)c3cc4c(cc3[C@]23C=C[C@@H](OC)C[C@@H]13)OCO4	14679343	PPOFSTUJVPTKMR-VRZRXGSGSA-N	387.388	2.008	0	1	GEAF	biogenic
CC(C)=CCC[C@H](C)c1ccc(C)cc1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	40835431	KFXLCQDDGZMEIV-MLUPXBCTSA-N	380.481	2.024	0	1	GEAF	
CN(C[C@@H]1CCCN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F)C(=O)C1CC1	43062640	NDUKSSFKHVGCNM-CABCVRRESA-N	397.441	2.223	0	1	GEAF	
CCN(CC)CCNC(=O)c1ccc(C(=O)O)c(I)c1	72190147	FIECENUGDKHJAD-UHFFFAOYSA-N	390.221	2.061	0	1	GEAF	investigational
CNc1nc2[nH]c(-c3cccc(N4CCN(C)CC4)n3)cc2c2c1ncn2C	73157088	YFRSSQHBXLMDAZ-UHFFFAOYSA-N	376.468	2.305	0	1	GEAF	
CC(=O)NCSC[C@@H](CO)NC(=O)c1coc(-c2ccc3ccccc3c2)n1	82084180	FGYRCPNFJZLRMC-QGZVFWFLSA-N	399.472	2.412	0	1	GEAF	
CC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cc(-c2ccncc2)c[nH]c1=O	84690290	BEJKYTISJLMNJE-SFHVURJKSA-N	376.416	2.123	0	1	GEAF	
CCCc1cn(CC[C@H]2CC[C@H](NC(=O)C3CCCCC3)[C@@H](CO)O2)nn1	95675280	GHLUFTIHFDMMKJ-CEXWTWQISA-N	378.517	2.226	0	1	GEAF	
O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)Nc1cccc(OC2CCCC2)c1	115067878	SLSSSQOQLXPVKO-UHFFFAOYSA-N	398.463	2.109	0	1	GEAF	
O=S1(=O)CCCN1C[C@H](O)Cn1c2ccc(F)cc2c2c(F)cccc21	148470281	FVXUGRUWZZRPFX-ZDUSSCGKSA-N	380.416	2.469	0	1	GEAF	
CCN1C(NCCCCO)=N[C@H](CCc2ccccc2)[C@H](C(=O)OC)[C@H]1C	195454264	ZWJWBCMKHNNTFV-BHIYHBOVSA-N	375.513	2.219	0	1	GEAF	
CN(C)CCSc1ccc(C=c2nc(O)c(=Cc3ccccc3)nc2O)cc1	253635204	RYRKPESQGOEIQY-UHFFFAOYSA-N	393.512	2.199	0	1	GEAF	investigational
COc1cc2c3c(c1)O[C@@](CCN1CCOCC1)(c1cn(C)nc1C)[C@@H](C2)C3=O	587429892	BRDXZVDWUIODOW-HTAPYJJXSA-N	397.475	2.102	0	1	GEAF	
CN(C)C(=O)c1ccc2c(c1)[C@@]1(CC(=O)N[C@H](Cc3ccccc3)C1)NCC2	962927661	XABIDQBITZVMJN-AUSIDOKSSA-N	377.488	2.251	0	1	GEAF	
CC(=O)N[C@@H]1[C@H](c2ccccc2)N(C(=O)COc2ccccc2)CC[C@@]1(C)O	2356288290	ADMDBDMTSNLYCR-BHDDXSALSA-N	382.460	2.295	0	1	GEAF	
CC=Cc1[nH]cc(C(=O)c2c(OC)cc(OC)cc2C(=O)OC)c(=O)c1OC	2356382192	QBVKMDADEIDLEW-UHFFFAOYSA-N	387.388	2.451	0	1	GEAF	
C[C@@H]1C=C[C@]2(C)CCCC[C@]2(C)[C@@H]1C(=O)[C@@H]1C(=O)N2CC[C@@H]3C(=O)O[C@@H]1[C@]32O	2356730302	WOAILDKFDXKSIY-JSXWNUBDSA-N	387.476	2.057	0	1	GEAF	
COC(=O)[C@@H]1C[C@@]23CCCN4CC[C@@]5(c6cccc(OC)c6N[C@@]15CC2)[C@@]43O	2356770078	WSGUCCCLBAHHRU-CTVTVNPXSA-N	384.476	2.259	0	1	GEAF	
CC(=O)N1CCC2(CC1)OC(=O)C(C)=C2C(=O)N[C@@H](C)CCc1ccccc1	20531813	CHCJLVXODDGOTF-HNNXBMFYSA-N	384.476	2.378	0	1	GEAF	
CCCn1c(=O)c(NCc2cccc(C(=O)O)c2)c2n(c1=O)C[C@H](C(C)C)N2	82206403	YCVNVXZRLYTNNO-OAHLLOKOSA-N	386.452	2.180	0	1	GEAF	
Cc1ccc(N2C(=O)N[C@@H]3CCN(C(=O)c4ccc(N(C)C)cc4)[C@H]3C2=O)cc1	25232070	JBSVWMNIEUVCEO-RTBURBONSA-N	392.459	2.401	0	1	GEAF	biogenic
CC(C)(C)OC(=O)N1CCc2scc(-c3nc4c(O)nc(N)nc4[nH]3)c2C1	587035361	VPYHILRICWCNQH-UHFFFAOYSA-N	388.453	2.662	0	1	GEAF	
CN(Cc1nc2cc(-n3cccn3)c(F)cc2[nH]1)S(=O)(=O)c1cccnc1	586929632	ZOXDYWKWVABKHE-UHFFFAOYSA-N	386.412	2.103	0	1	GEAF	
COC(=O)[C@@]1(CC(=O)c2ccncc2)NCCc2cc3cccc(OC)c3nc21	963049898	VZQLCPOOQDYMJB-QFIPXVFZSA-N	391.427	2.425	0	1	GEAF	
Cc1ccc(N2N=C(C(=O)O)[C@@]3(CC2=O)NCCc2c3c(C(C)C)nn2C)cc1	962921943	PJLNQMLSUIQQHU-NRFANRHFSA-N	395.463	2.070	0	1	GEAF	
CCOC(=O)c1[nH]c2ccc(CCN3C(=O)CCC3=O)cc2c1CCN(C)C	13605912	IUHDNUNMXXMLSH-UHFFFAOYSA-N	385.464	2.140	0	1	GEAF	
COc1ccc2c(c1)N(C)[C@H]1[C@]23CCN2CC=C[C@](C)([C@H]23)[C@@H](C)[C@@]1(O)OC(C)=O	2356402211	BRPPDMZITRSQKG-QSPSMBOOSA-N	398.503	2.303	0	1	GEAF	
CC(C)[C@H]1Nc2ccc(C(=O)N3CCN(c4ccccn4)CC3)cc2NC1=O	6919947	MCGYXCXZZABIKW-LJQANCHMSA-N	379.464	2.433	0	3	GEAF	
O=C1CO[C@@H]2CN(c3nccc(C(F)(F)F)n3)C[C@H]2N1Cc1ccc(F)cc1	2356286448	VQZCWZVPBDWFAP-ZIAGYGMSSA-N	396.344	2.251	0	1	GEAF	
Cc1cc(F)ccc1[C@@H]1CN(c2nc(-c3ccncc3)cc(=O)n2C)CCN1	116774422	XORGLZKNBDTFFI-IBGZPJMESA-N	379.439	2.441	0	1	GEAF	
Nc1ncnc2c1ncn2CCOC[P@]1(=O)OCC[C@H](c2ccncc2)O1	28974796	CAYVBFCJRWSTJY-QWVSSGJLSA-N	390.340	2.149	0	1	GEAF	
CC[C@H]1[C@@H](O)[C@H]2CN3CCc4c([nH]c5ccc(OC)cc45)[C@@](C(=O)OC)(C2)[C@@H]13	2356484437	UKYBFFVWOWRLGX-QWBQRPOBSA-N	384.476	2.235	0	1	GEAF	
CN(CC(=O)NCCCN1CCCC1)C(=O)c1coc(-c2cccs2)n1	82085727	KALQNGSSBZYCEG-UHFFFAOYSA-N	376.482	2.077	0	1	GEAF	
COC(=O)c1cc2nc(-c3ccc(NS(C)(=O)=O)cc3)[nH]c2cc1OC	586950799	MOVJOSDVBVHVMX-UHFFFAOYSA-N	375.406	2.397	0	1	GEAF	
COc1ccc(S(=O)(=O)N[C@H](c2nc3ccc(Cl)nc3[nH]2)[C@H](C)O)cc1	586938342	QIEDMKCKBKBRBC-XPTSAGLGSA-N	396.856	2.020	0	1	GEAF	
CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3cc(OCCN(C)C)ccc3[nH]2)c1	586935455	HJOYLACTURBLFB-UHFFFAOYSA-N	391.497	2.185	0	1	GEAF	
CCOC(=O)C(=O)C[C@]1(c2cccnc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	587436333	OAEFUGGOMIHFIV-QVKFZJNVSA-N	381.384	2.255	0	1	GEAF	
CN(C)S(=O)(=O)n1ccnc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3	587532357	MFIHDSHUEYFORL-INIZCTEOSA-N	375.450	2.123	0	1	GEAF	
COc1ccc(N2C(=O)NC(=O)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1N	1857645673	JQAKHCCMLFIBOJ-MRXNPFEDSA-N	387.392	2.101	0	1	GEAF	
CCOC(=O)Oc1ccc2cc(S(=O)(=O)[C@@H]3SC(=O)NC3=O)ccc2c1	29217855	FPUQWMLXNYSVHU-AWEZNQCLSA-N	395.414	2.458	0	1	GEAF	
CC(C)(O)c1ccc(-c2cnc3[nH]c(=O)n(CCC4CCOCC4)c3n2)cn1	113924597	ONDJQRZDLSDOJA-UHFFFAOYSA-N	383.452	2.226	0	1	GEAF	
O=C(NCc1ccccc1)c1cc([C@H]2COCCN2C(=O)OCCF)on1	61928212	VQEHBRZKSIBMGF-OAHLLOKOSA-N	377.372	2.084	0	3	GEAF	
CO[C@H]1[C@H](OC)[C@H](CC(C)C)O[C@@H](OCC(=O)O)[C@@H]1OCc1ccccc1	27649876	FKKRIXVGUJIXBK-ABHMUUKNSA-N	382.453	2.474	0	1	GEAF	
C[C@H](C(=O)N1CCOCC1)[C@@H]1CC[C@]2(C)Cc3sc(=N)[nH]c3[C@H](C)[C@H]2[C@H]1O	2356849392	PVYVZTFGACOSGT-NPTRKBNKSA-N	393.553	2.104	0	1	GEAF	
CCNC(=O)CN(CC)C(=O)COC(=O)c1ccccc1C(=O)c1ccccc1	7097064	SUKGRCWSOAKKNF-UHFFFAOYSA-N	396.443	2.059	0	1	GEAF	biogenic
COc1ccc2nc(-c3ccc(OC[C@@H](O)CNC(C)C)cc3)n(C)c(=O)c2c1	34592942	RNFBBRXRAZCIBZ-INIZCTEOSA-N	397.475	2.347	0	1	GEAF	
NC(=O)c1nc(N)nc(-c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)n1	221238713	LZIBCWAMEFJWAP-UHFFFAOYSA-N	376.298	2.426	0	1	GEAF	
CN1CCN(Cc2ccc3[nH]c(-c4c(N)c5ccccc5[nH]c4=O)nc3c2)CC1	40429688	JVYWSDGZGNKUKM-UHFFFAOYSA-N	388.475	2.401	0	1	GEAF	
O=C(NC[C@H]1[C@@H](c2ccccc2)[C@H](CO)N1C(=O)C1CCC1)NC1CCCC1	95894896	PSPYKSKJQZXCHI-SLFFLAALSA-N	385.508	2.384	0	1	GEAF	
COc1cc(C(C)=O)c(OC)n1-c1nn(-c2ncccn2)cc1Br	587941162	SFYPIYRIWNYTHM-UHFFFAOYSA-N	392.213	2.435	0	1	GEAF	
COc1cc(Br)cc(C=O)c1OCc1nc2c(O)ncnc2[nH]1	586980505	USMDXTNSIACWAZ-UHFFFAOYSA-N	379.170	2.221	0	1	GEAF	
N=c1[nH]cc2nc(-c3cccc(S(=O)(=O)Nc4ccccc4F)c3)nc-2[nH]1	587156314	KWOUZWYEORUMME-UHFFFAOYSA-N	384.396	2.324	0	1	GEAF	
CN(C)C(=O)c1ccc2c(c1)[C@@]1(CCN3C(=O)c4ccccc4N[C@H]31)NCC2	962936685	PLEABMQAOACBTF-FGZHOGPDSA-N	376.460	2.027	0	1	GEAF	
CO[C@H]1O[C@@H](C)[C@@H](NC(=O)OCC(Cl)(Cl)Cl)[C@@H]2OC(C)(C)O[C@@H]12	17220516	YFKJKRUBPJRRGY-LRPJSKTQSA-N	392.663	2.363	0	1	GEAF	
Cc1ccc(NC(=O)[C@@H]2[C@@H]3C(=O)N(Cc4cccnc4)C[C@@]34C=C[C@H]2O4)cc1F	169294012	MHLHARLAZLJYDT-MOXWOTFGSA-N	393.418	2.450	0	3	GEAF	
CO[C@]12COC(=O)[C@@H]1[C@H](c1ccc3c(c1)OCO3)c1cc3c(cc1O2)OCO3	5941930	LKMOYPCVIIXXNG-HBFSDRIKSA-N	384.340	2.184	0	1	GEAF	
O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)C(=O)N1CCC(Cc2ccccc2)CC1	28366831	SCSVGQRRKADJJI-UHFFFAOYSA-N	378.432	2.276	0	1	GEAF	
CC[C@@H]1C(O)=C2CC[C@@]3(C)C[C@H](C)[C@@H](O3)[C@H](O)C[C@@H](CO)C(=O)C[C@H]1OC2=O	2356599223	RFAFYLCMVLAPHK-PYPWEJQJSA-N	396.480	2.046	0	1	GEAF	
COc1ccc([C@H]2[C@H](OC)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1N	26170047	KCXJMMJALCDAAV-HKUYNNGSSA-N	388.420	2.406	0	1	GEAF	
O=C(Cn1c2ccccc2c2nc3ccccc3nc21)NCCN1CCOCC1	31848113	CFRHZADTKSLCBO-UHFFFAOYSA-N	389.459	2.186	0	1	GEAF	
O=C(c1cn(Cc2ccc(F)cc2)nn1)N1CCN(Cc2ccccc2)CC1	73224070	PJWPQPHIODSJFC-UHFFFAOYSA-N	379.439	2.424	0	1	GEAF	
CN(C)c1ccc(C(=O)OC[C@@]2(CO)C/C(=C/c3cccnc3)C(=O)O2)cc1	45498255	NWJCYPGKSMWHKD-OIOSCTRGSA-N	382.416	2.066	0	1	GEAF	
COc1ccccc1NC(=O)[C@H]1[C@@H]2C=C[C@]3(CN(Cc4cccnc4)C(=O)[C@@H]13)O2	195400473	OFLPRFFLCKYSPO-PSHVLCQKSA-N	391.427	2.011	0	1	GEAF	
NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(-c2ccc(C=O)s2)nc1	198997165	ZPEGPMIKWQJIMF-KRWDZBQOSA-N	379.441	2.449	0	1	GEAF	
C[C@H](Oc1cc(C(N)=O)nc(-c2ccc(Oc3ccc(F)cc3)cc2)n1)C(N)=O	142409326	CGIIUPAJBKYEQQ-NSHDSACASA-N	396.378	2.427	0	1	GEAF	
Cc1c(C(C)(C)O)sc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12	95580237	LJBFUTAAMCZTJC-UHFFFAOYSA-N	386.481	2.103	0	1	GEAF	
COc1cc2nc(COc3ccc(S(=O)(=O)N(C)C)cc3)[nH]c2cc1OC	586932189	VYPOXSCKHHSHRL-UHFFFAOYSA-N	391.449	2.409	0	1	GEAF	
O=C(O)C[C@@H](O)Cc1nc2c(Br)ccc(Br)c2[nH]1	586890736	ORKNMLROMOVNOJ-YFKPBYRVSA-N	378.020	2.466	0	1	GEAF	
Nc1ncnc2[nH]c(CCn3cc(Br)c(C(F)(F)F)n3)nc12	587118962	SNKOUPRRJCUWGT-UHFFFAOYSA-N	376.140	2.156	0	1	GEAF	
C[C@]1(CN2C(=O)COCC2=O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	587340372	HKIILSXXGRUXQG-PZJWPPBQSA-N	399.374	2.034	0	1	GEAF	
CN(C)C(=O)c1ccc2c(c1)[C@]1(CCCc3cc(OCCN)ccc31)NCC2	962935479	ZXFJGRFYPVVTLZ-HSZRJFAPSA-N	379.504	2.452	0	1	GEAF	
O=C1[C@@H]2Cc3nc[nH]c3[C@]3(CCCC[C@H]3C(F)(F)F)N2C(=O)[C@@H]2CCCN12	963219674	TYYXEZRMCHVFPG-APNQJHFZSA-N	382.386	2.115	0	1	GEAF	
COc1ccc(OC)c2c1C[C@H](C)N[C@H]2c1cccc(OCc2nnnn2C)c1	963607679	JXJUQHSMXLDHOG-ZSEKCTLFSA-N	395.463	2.430	0	1	GEAF	
CS(=O)(=O)N1CCC(Oc2ccccc2C(=O)NC(C2CC2)C2CC2)CC1	12031713	WPBDOWVNOYJRHE-UHFFFAOYSA-N	392.521	2.408	0	3	GEAF	
COC1CN(C(=O)c2cnn3ccc(N4CCC[C@@H]4c4cncc(F)c4)nc23)C1	169704191	ZTUAEBXOYDCUHH-QGZVFWFLSA-N	396.426	2.076	0	1	GEAF	
CN(C)CCNC(=O)c1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1	166913995	HUGDDHBZKBSMOC-UHFFFAOYSA-N	375.436	2.306	0	1	GEAF	
Cn1ccc(CNC(=O)c2ccc(NC(=O)N3Cc4cccnc4C3)cc2)n1	167264615	SIFBKXSCFSLKLK-UHFFFAOYSA-N	376.420	2.293	0	1	GEAF	
CO[C@@H]1COC(=O)CC=C[C@@H](C)[C@@H]2C=C[C@H](O)[C@@H](COC(=O)CCC[C@H]1C)O2	253981812	ZPFUQBPYNIZRGQ-RCFCFVIZSA-N	396.480	2.175	0	1	GEAF	
CCCCO[C@@H]1C[C@H](C(=O)N[C@@H](CO)[C@@H](C)CC)N(C(=O)c2ccco2)C1	4545960	FWAFAYUTYQILIP-VVLHAWIVSA-N	380.485	2.203	0	1	GEAF	
O=C(NC1[C@H]2CC3C[C@H]1CC(O)(C3)C2)c1sc(OCCO)nc1C1CC1	103246881	NJXRHIKVLFLBME-AVIQBBFDSA-N	378.494	2.061	0	1	GEAF	
CC(C)(C(=O)N1CCC(CC(=O)O)CC1)[C@H](O)/C=C/c1ccc(C(=N)N)cc1	26250906	DOWXOJUYCAFWAZ-ZGRWHYIRSA-N	387.480	2.084	0	1	GEAF	
O[C@H]1[C@H](n2cnc3ccccc32)[C@H]2OC[C@@H](O2)[C@@H]1NCCCc1ccccc1	2356296306	LETHGYBXWPNUDZ-CTWRKMMKSA-N	379.460	2.284	0	1	GEAF	
C[C@H]1CN(c2c(F)cc3c(=O)c(C(=O)O)cn4c3c2OC[C@H]4C)C[C@@H](C)O1	29127046	BAYPIFHTRJZWTI-MXWKQRLJSA-N	376.384	2.406	0	1	GEAF	
CS(=O)(=O)CCCN1C(=O)c2ccccc2[C@H](CC(=O)c2ccccc2)C1=O	29342432	VNYZAGJCFWQSQK-SFHVURJKSA-N	399.468	2.460	0	1	GEAF	
COc1ccc(S(=O)(=O)n2cc(NC(=O)c3ccccn3)cn2)cc1Cl	116776996	UNYGEWZQPSIPIP-UHFFFAOYSA-N	392.824	2.429	0	1	GEAF	
O=C(CO[C@@H]1CN(Cc2ccc(C(=O)O)cc2)C[C@H]1F)Nc1ccccc1O	2356656541	JYLKZHYSTQFGAL-CRAIPNDOSA-N	388.395	2.268	0	1	GEAF	
CS(=O)(=O)N1CCCC[C@H]1c1cc(C(=O)Nc2ccc3c(c2)OCO3)no1	61897530	LJUXJDKQEWCBSW-ZDUSSCGKSA-N	393.421	2.142	0	3	GEAF	
Cn1nccc1-c1cccc(C(=O)NC[C@@H](O)CN2CCc3ccccc3C2)c1	220171499	XDBXWOBBDTXNKD-OAQYLSRUSA-N	390.487	2.236	0	1	GEAF	
CCN(CC)CC(=O)N1CCc2[nH]c(-c3cc4ccccc4[nH]c3=O)nc2C1	84617277	RQGUPHJEOWSBER-UHFFFAOYSA-N	379.464	2.145	0	1	GEAF	
CC(=O)c1cccc(NC(=O)[C@]23CCC(=O)N2c2ccccc2C(=O)N3C)c1	71745239	KYRXSQSKNGCZML-NRFANRHFSA-N	377.400	2.437	0	1	GEAF	biogenic
CCN(CC)S(=O)(=O)c1ccc2nc(-c3cnc(N(C)C)nc3C)[nH]c2c1	587195110	BQCXDFQLLWHCLV-UHFFFAOYSA-N	388.497	2.425	0	1	GEAF	
N[C@@H](N=O)c1ccc2nc(CNS(=O)(=O)c3ccc(F)c(F)c3F)[nH]c2c1	587134040	IUANPPZJNGMSLJ-HNNXBMFYSA-N	399.354	2.182	0	1	GEAF	
O=S(=O)(c1ccc2c(c1)OCO2)N1C[C@H]2c3ccccc3-n3ccnc3[C@H]2C1	1772572300	UKRKUVALBYZQSK-HOTGVXAUSA-N	395.440	2.486	0	1	GEAF	
CC[C@@H]1CN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2OC)CCN1	5846184	QNBJTZBMBAOFDX-LLVKDONJSA-N	389.427	2.371	0	1	GEAF	
CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H]2CCC[C@@H](C)[C@@H]2C)cc1	169296051	FHMSVWIMVUGZCW-GLJUWKHASA-N	395.525	2.206	0	1	GEAF	
O=C(Nc1ccc(C2CCCCC2)cc1)[C@@H]1C(=O)N[C@@H](Cc2ncc[nH]2)C1=O	169727318	PROCPCGEIGHULW-FUHWJXTLSA-N	380.448	2.322	0	1	GEAF	
CCCS(=O)(=O)NC(=O)[C@]1(C)CCCN(C(=O)CCc2ccccc2)C1	206019597	MYYDJKWWBSZMGK-LJQANCHMSA-N	380.510	2.104	0	3	GEAF	
CCC[C@@H]1C(=O)c2nc(CCCCN3N=C(Cl)CCC3=O)[nH]c2N(C)C1=O	100034564	YUGXYSSLOLZSHB-LLVKDONJSA-N	393.875	2.483	0	1	GEAF	
Cc1cn([C@H]2C=C[C@H](CO[P@@]3(=O)OCc4ccccc4O3)O2)c(=O)[nH]c1=O	25991608	NEUXRWCLDPVEMR-LXHOOYJUSA-N	392.304	2.033	0	1	GEAF	
CCN1C[C@H](C)n2c(c(O)c3c(=O)n(Cc4ccc(F)cc4)nc(C)c32)C1=O	35793197	OGDCBGPCVPYHFH-NSHDSACASA-N	384.411	2.436	0	1	GEAF	
Cc1c(Cl)cccc1Cn1c(N)nc(=O)c2sc(N3CCOCC3)nc21	84731754	CKHPFLCGVWVXKU-UHFFFAOYSA-N	391.884	2.282	0	1	GEAF	
COc1cccc(-n2cc(C(=O)Nc3ccc([C@H]4CNCCO4)cc3)nn2)c1	147024661	SGMXMLCODCILQQ-LJQANCHMSA-N	379.420	2.189	0	1	GEAF	
CC(C)(C)CC(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(-c2cnco2)cc1	98208448	AWAYHHGNFTVEIB-SJORKVTESA-N	385.464	2.356	0	1	GEAF	in-vitro
CN1C=Cc2cc3c(cc2C(=O)[C@@]12C(=O)Oc1c2ccc2c1OCO2)OCO3	31517074	ODZKWJNWPLUOKP-FQEVSTJZSA-N	379.324	2.057	0	1	GEAF	biogenic
COc1ccc2c3c([nH]c2c1)[C@H](C=C(C)C)N1C(=O)[C@@H]2CCCN2C(=O)[C@]1(O)C3	72318072	GAQLGONAVPUXSP-NPPFBWRTSA-N	395.459	2.262	0	1	GEAF	biogenic
COc1cc2nc(S)n(NC(=O)c3cccc(F)c3)c(=O)c2cc1OC	653780373	JHBSYDFQQLGKCG-UHFFFAOYSA-N	375.381	2.225	0	1	GEAF	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CN(C(=O)C(F)(F)F)C2	587550620	VMNXBGNEALQNPS-CYBMUJFWSA-N	379.290	2.497	0	1	GEAF	
CCCc1cc(=O)oc2cc(OC(C)=O)cc(OC(C)=O)c12	169686455	SQPJUENIOIFEQF-LJQANCHMSA-N	304.298	2.596	0	1	GEAF	
COC(=O)[C@@H]1C(C)(C)CC(=O)C[C@]12N[C@H](C(=O)O)Cc1c2cnc2ccccc12	963219026	CLISDJAYXDCIGB-NJNPRVFISA-N	396.443	2.207	0	1	GEAF	
COc1ccc(CCN(C)[C@@H]2CCCN(C(=O)Cn3cccn3)C2)cc1OC	11768395	YLIYCJIJYIIZDN-GOSISDBHSA-N	386.496	2.066	0	3	GEAF	
O=C1CCN(S(=O)(=O)c2ccccc2)CCN1CCOCc1ccccc1	13661097	KHTJPFKUESTGCN-UHFFFAOYSA-N	388.489	2.126	0	3	GEAF	
O=C([C@H]1Cc2c(sc3ccccc23)CN1)N1CCN(c2ncccn2)CC1	13833816	AIQYENOTCHFRBK-MRXNPFEDSA-N	379.489	2.054	0	1	GEAF	
OC(O)COc1cccc(CN2CCC[C@H](Nc3ccc4[nH]ncc4c3)C2)c1	169697409	WBAPFZOYCFZQQN-SFHVURJKSA-N	382.464	2.329	0	1	GEAF	
NC[C@H](NC(=O)c1ccc(-c2ccc(Cl)cn2)[nH]1)c1nc(CO)cs1	1857600722	LFZBUEYPLRGTCL-AWEZNQCLSA-N	377.857	2.109	0	1	GEAF	
COc1cc2nc(N3CCC[C@@H](NC(=O)c4ccco4)C3)[nH]c(=N)c2cc1OC	1857630406	KUSUAKLXHXASTN-GFCCVEGCSA-N	397.435	2.051	0	1	GEAF	
O=C(NC[C@H]1C[C@H]2CCN1C[C@H]2CN1CCCCC1)c1ccc2c(c1)OCO2	2356298574	LLXQRFYOYHIWER-BHIYHBOVSA-N	385.508	2.341	0	1	GEAF	
COc1cccc(NC(=O)N[C@@H]2CCc3ccccc3N(CC(=O)O)C2=O)c1	3780384	LDKASJPGQAISEW-MRXNPFEDSA-N	383.404	2.249	0	1	GEAF	
Cc1cccc(Nc2ccncc2S(=O)(=O)N/C(=C/[N+](=O)[O-])NC(C)C)c1	26967063	APGBKEZVWFGTAK-GZTJUZNOSA-N	391.453	2.486	0	1	GEAF	
Cc1noc(C)c1CN1CC(=O)N(c2cnn(Cc3c(C)noc3C)c2)C1=O	115731296	OUQYWKVKGLQJDU-UHFFFAOYSA-N	384.396	2.110	0	1	GEAF	
COc1cc(OC)nc([C@@H](O)c2ccccc2NS(=O)(=O)C/C=C/Cl)n1	103169000	JTCFCJLCJDDLMJ-PXTSUWAFSA-N	399.856	2.070	0	1	GEAF	
CCOC(=O)C[C@H]1C[C@H](n2cc(-c3ccc(O)cc3)c3c(N)ncnc32)CN1	27984032	SFUOPNLOTSTSRR-KGLIPLIRSA-N	381.436	2.242	0	1	GEAF	
O=C(CCc1ccccc1)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]1CCSC1=O	27518797	FGRHKSQXRPXQEP-MOPGFXCFSA-N	396.512	2.495	0	1	GEAF	
CC(=O)O[C@H]1[C@@H]2[C@H]3OC(=O)C4=C3[C@@](C)(CC[C@@H]4O)CC[C@@]2(C)[C@@H](C(C)C)[C@H]1O	2356445505	DJPDLYKJBRHWGX-AUDYZWRXSA-N	392.492	2.364	0	1	GEAF	
COC(=O)c1c(COC(=O)c2c(C)cc(O)c(C=O)c2O)cc(O)c(C)c1O	13310283	FHELLTXVIACUDU-UHFFFAOYSA-N	390.344	2.082	0	1	GEAF	biogenic
Cc1nc(C(=O)N[C@H](C)C(=O)NC[C@@H]2CCCO2)cc2c1[nH]c1ccccc12	15968199	ZEDCMXOASNGPMT-KGLIPLIRSA-N	380.448	2.438	0	1	GEAF	biogenic
C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(C)=O)[C@H]2CN(C(=O)COC)C(C)C)cc1	95667230	HKSWFDSECWATDS-NZVJDMMPSA-N	388.508	2.278	0	1	GEAF	
CO[C@@H]1O[C@@H](O)[C@@H]2C(C)(C)CC[C@@H]3OC(=O)[C@@]45C[C@H](CC[C@H]4[C@@]312)[C@@H](C)C5=O	653722050	QZIYJYMZUWBXJX-KGOONUNDSA-N	378.465	2.277	0	1	GEAF	
Cc1csc([C@](O)(Cc2nc3ccc(-n4cnnn4)cc3[nH]2)C(F)(F)F)n1	587095080	XOHXOYWJEXGDDO-CQSZACIVSA-N	395.370	2.296	0	1	GEAF	
CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H]1CCCN(S(C)(=O)=O)C1	587872606	OAJFUKXMYOZJBZ-CQSZACIVSA-N	395.456	2.400	0	1	GEAF	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H]1CN2CCC[C@H]2CO1	587870082	VTHSVGSBMIKZQU-JSGCOSHPSA-N	396.369	2.476	0	1	GEAF	
CCOC(=O)C(C[C@]1(C)NC[C@@H]2CC(=O)N(C)c3cccc1c32)C(=O)OCC	963018944	DAKXOUGLRHKXIU-ZSEKCTLFSA-N	388.464	2.088	0	1	GEAF	
O=C(NCCOc1ccc(F)cc1)[C@H]1CCC(=O)N(CCc2ccccn2)C1	12320301	JUZCDHCVXGSDKU-INIZCTEOSA-N	385.439	2.197	0	3	GEAF	
COc1ccc2nc([S@](=O)Cc3nccc(N4CCOCC4)c3F)[nH]c2c1	13883968	SXGODCSSHGSOHQ-MHZLTWQESA-N	390.440	2.250	0	1	GEAF	
CC(=O)N(CCN1CCOCC1)c1cn(Cc2ccc(Cl)c(Cl)c2)nn1	209681879	VKKFDQQGRQVELU-UHFFFAOYSA-N	398.294	2.318	0	1	GEAF	
NC(=O)c1cc2ccc(OC(F)(F)F)cc2n1-c1ccn(CCC(=O)O)n1	1857640570	WLQYRNJPPJMNEU-UHFFFAOYSA-N	382.298	2.299	0	1	GEAF	
CC(=O)N1CCc2c(sc3c2c(=O)n(-c2ccccc2Cl)c(=O)n3C)C1	6918930	YGIZHHNDFHDTDX-UHFFFAOYSA-N	389.864	2.309	0	1	GEAF	
CC[C@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccncc1	100073722	RNXSFTSARFPJDJ-AWEZNQCLSA-N	394.431	2.392	0	1	GEAF	
CN1C(=O)c2c(O)c(C(=O)NCc3ccc(F)cc3)nn2C[C@H]1c1ccccc1	29129169	GDHCPGZNOLGIOD-INIZCTEOSA-N	394.406	2.485	0	1	GEAF	
CC(C)S(=O)(=O)N1CC[C@H](CC(=O)O)[C@@H](Cc2nc3ccccc3[nH]2)C1	2356657318	BCBPDAWUNJLLID-KGLIPLIRSA-N	379.482	2.256	0	1	GEAF	
C[C@@]1(C(=O)NS(=O)(=O)c2cccc(F)c2)CCN1C(=O)c1cccc(F)c1	61896772	VDILMGZBTQGYRW-SFHVURJKSA-N	394.399	2.075	0	3	GEAF	
C1=CC(c2noc([C@@H]3CCCN3Cc3ccncc3)n2)=CN[C]1N1CCOCC1	2356830908	BBVQLEVAXXIIAB-SFHVURJKSA-N	393.471	2.124	0	1	GEAF	
Cc1ncsc1CCn1c(=O)c(NCc2ccoc2)c2n(c1=O)[C@@H](C)CN2	82210886	KZUYGAQEIKDWEJ-NSHDSACASA-N	387.465	2.209	0	1	GEAF	
CCN1CCN(c2cc(-c3n[nH]c4ccc(OCCOC)cc34)ncn2)CC1	221366264	GLEFNXZFBTVPLH-UHFFFAOYSA-N	382.468	2.187	0	1	GEAF	
N=C(N)c1cccc(S(=O)(=O)NCC(=O)Nc2ccc3ccccc3c2)c1	95565808	KGBGXPJGLAFEAU-UHFFFAOYSA-N	382.445	2.041	0	1	GEAF	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@H]3CC[C@]1(CS(N)(=O)=O)C3(C)C)O2	587408498	HBBKQHOKGWHEFO-ZUSMLRIVSA-N	378.494	2.396	0	1	GEAF	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)N(CCC(=O)O)c2cc(F)ccc21	587383251	AGLJXEBDSSGAKZ-FQEVSTJZSA-N	384.363	2.398	0	1	GEAF	
CCOC(=O)Nc1ccc(C(=O)NCc2nc3cccc(C(N)=O)c3[nH]2)cc1	587228177	HZJCBVGNXSXUJO-UHFFFAOYSA-N	381.392	2.160	0	1	GEAF	
COC(=O)[C@@]1(C)N[C@@H](c2ccc(O)cc2)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21	19210534	BXNIWTHCKAVZLL-SUWCGCSTSA-N	394.427	2.082	0	1	GEAF	
Cn1cc(CC(=O)Nc2ccc(-n3c4c(c5nc[nH]c(=N)c53)CCC4)cc2)cn1	1857616188	RBROLBBSQGEWBD-UHFFFAOYSA-N	387.447	2.236	0	1	GEAF	
CC[C@H]1CN(C(=O)Nc2cccc(OC)c2)CC[C@H]1CC(=O)N(C)CCO	12602871	MCEPIXOBHCJTJS-HOTGVXAUSA-N	377.485	2.416	0	1	GEAF	biogenic
O=C(C[C@H]1CC[C@H](NC(=O)CC2CC2)[C@@H](CO)O1)NCc1ccc(Cl)cc1	95677584	QFAVGRCFIOJHOR-FGTMMUONSA-N	394.899	2.171	0	1	GEAF	
COC1CCC2(CC1)Cc1ccc(OC(F)F)cc1[C@]21N=C(N)N(C)C1=O	140741088	PLCXVSJDQWFUAK-MRRYMGGUSA-N	379.407	2.402	0	1	GEAF	
COC(=O)[C@]12C[C@@H]3CN(CCc4c1[nH]c1ccc(OC)cc41)[C@H]2C[C@H]3C(C)=O	238772339	RGZDEBNWMNAFIP-BDEQARBKSA-N	382.460	2.443	0	1	GEAF	
CC(=O)N[C@H](Cc1nc2cnnc(O)c2[nH]1)c1ccc(Br)cc1	586986675	ZKJWAINFVAVISD-LLVKDONJSA-N	376.214	2.241	0	1	GEAF	
CN(C)S(=O)(=O)c1cccc2nc([C@H](N)Cc3ccc(O)c(Cl)c3)[nH]c12	587051241	BFXXDXVSDZJGQZ-GFCCVEGCSA-N	394.884	2.415	0	1	GEAF	
COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2ccc(C(=O)OC)c(OC)c2[nH]1	587231193	MMGYDEPPFRBDPX-QWHCGFSZSA-N	389.452	2.395	0	1	GEAF	
CCOC(=O)CN1C(=O)[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)c2ccccc21	587402380	ZSRRZRLBBJBOEV-OAQYLSRUSA-N	380.400	2.348	0	1	GEAF	
N=C(N)c1ccc(CNC(=O)[C@H]2CCC=C2C(=O)NCc2ccccc2)cc1	13807992	BCFJZTZZPBLZFJ-IBGZPJMESA-N	376.460	2.240	0	1	GEAF	
Cc1ccc(C(=O)COC(=O)[C@@H](C)N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)cc1C	17888503	KLTXDFMSUAOPBW-GNQXEYABSA-N	381.428	2.225	0	1	GEAF	
O=C(Nc1ccc([C@H]2CNCCO2)cc1)c1ccn(-c2nccnc2Cl)n1	150188445	QTBPLEUHZMXPSY-OAHLLOKOSA-N	384.827	2.229	0	1	GEAF	
N[C@H]1NC(=S)NN=C1n1c(-c2ccccc2)c(C(=O)O)c2cc(F)ccc21	169346670	FRUROWRCIZSQPB-HNNXBMFYSA-N	383.408	2.070	0	1	GEAF	
O=C(Nc1ccccc1)N1C[C@H](O)[C@@H](N2CCN(Cc3ccccc3)CC2)C1	1857559716	ZSFWHFNKTZMAOR-SFTDATJTSA-N	380.492	2.081	0	1	GEAF	
Nn1c(Cc2cccs2)nnc1SCC(=O)Nc1nc2ccccc2[nH]1	1857761883	LVADRPRXPSTHNR-UHFFFAOYSA-N	385.478	2.251	0	1	GEAF	
O=C(C=Cc1ccccc1)O[C@H]1[C@H]([C@@H](O)c2ccccc2)O[C@H]2CC(=O)O[C@H]21	2356390515	FHGDRFDHIZAQKE-GSNCRSPSSA-N	380.396	2.428	0	1	GEAF	
CN(NS(=O)(=O)/C=C/c1ccccc1)S(=O)(=O)/C=C/c1ccccc1	26190002	WWNZIYQMBQFIKV-QUMQEAAQSA-N	378.475	2.424	0	1	GEAF	
C[C@@H]1O[C@H](Oc2ccc(-c3coc4cc(O)ccc4c3=O)cc2)C[C@@H](O)[C@H]1O	2356871840	YLQMKZXPOROVMQ-ANPYHDSISA-N	384.384	2.401	0	1	GEAF	
COc1ccc(NC(=O)O[C@@H]2CO[C@@H]3[C@@H](NC(=O)c4ccccc4)CO[C@H]23)cc1	4235572	KRXJMBITQJYWNP-WJFTUGDTSA-N	398.415	2.209	0	1	GEAF	biogenic
COC(=O)[C@H](C)Nc1nc2c(-c3cc4c([nH]3)CCNC4=O)cccc2nc1C	222443078	PUOHSGKCNIZLIO-NSHDSACASA-N	379.420	2.193	0	1	GEAF	
COc1cc(C(=O)O)c(C(=O)O)cc1-c1cc(C(=O)O)cc(OC)c1OC	238776902	HORNDOPNWKSRIY-UHFFFAOYSA-N	376.317	2.474	0	1	GEAF	
COc1ccc(C(=O)C2CCN([C@@H]3Cc4c(N)cccc4C[C@H]3O)CC2)cn1	96273561	LQDJVRIMEUAOSW-WOJBJXKFSA-N	381.476	2.095	0	1	GEAF	
CCOC(=O)/C=C(\C)C(=O)O[C@H]1C[C@H]2[C@H](OC(=O)C=C(C)C)C[C@@H](C1)N2C	238733096	LTHNNGQCWYQQLA-QYMHLLFHSA-N	379.453	2.152	0	1	GEAF	
CCCNC(=O)N1CC2(C1)[C@@H](c1ccccc1)[C@H](CO)N2CC1CCOCC1	95664533	QMUJEDHAYZDYPI-PMACEKPBSA-N	387.524	2.047	0	1	GEAF	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C[C@H]1[C@H](CN[C@H]1C(=O)O)C2	587597549	UXQLFSMHPQUKFF-TWZFTHDESA-N	381.384	2.175	0	1	GEAF	
C[C@]1(CC(=O)N2CCOCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	587596680	SLMFJETYDXFGNV-GHTZIAJQSA-N	383.400	2.361	0	1	GEAF	
COc1cc2nc(-c3ccc4c(c3N)CCN(S(C)(=O)=O)C4)[nH]c2cc1F	586956016	YOIFCFYFLJLQRR-UHFFFAOYSA-N	390.440	2.278	0	1	GEAF	
COc1n[nH]c2cc(NC(=O)N[C@@H](c3ccccc3)[C@H](O)C(C)C)nc(CO)c12	1772640288	MDEUQTVPKIASIW-ZWKOTPCHSA-N	399.451	2.339	0	1	GEAF	
O=C1NCC2=C1[C@@H](c1ccc(F)c(Br)c1)C1=C(O)COCC1=N2	13580070	FWXTWPLUZOFWES-ZDUSSCGKSA-N	379.185	2.353	0	1	GEAF	
O[C@H]1[C@H](N2CCSCC2)c2ccccc2C12CCN(c1cnccn1)CC2	19743064	JDXDMBMZCZQVGF-UXHICEINSA-N	382.533	2.479	0	1	GEAF	
O=C1c2cc3c(cc2C(=O)N1CCC1CCN(Cc2cccnn2)CC1)OCO3	206576095	ZZJKPERZKMTERG-UHFFFAOYSA-N	394.431	2.104	0	1	GEAF	
O=C(N[C@H](CC1CCCCC1)C(=O)N1CC[C@H]2OCC(=O)[C@H]21)c1ccccc1	165552425	ZDRBMNHVJWTCNG-MISYRCLQSA-N	384.476	2.324	0	1	GEAF	
CC1(CNC(=O)C2CCN(c3cnccc3-n3cc(Cl)cn3)CC2)COC1	1857582061	KCJJCNYOCDXRLK-UHFFFAOYSA-N	389.887	2.290	0	1	GEAF	
O=C(NCCN1CCOCC1)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccsc1	4049381	NESBXDFJAUCHLA-IEBWSBKVSA-N	385.489	2.288	0	1	GEAF	
C[C@@]1(C(=O)NCc2ccco2)Cc2c(-c3cccc(C(N)=O)c3)ccnc2O1	61906714	QHZHTQBTJKYJKJ-NRFANRHFSA-N	377.400	2.451	0	3	GEAF	
O=C(Nc1ccccc1)NC1CCN(C[C@H](O)[C@H]2COc3ccccc3O2)CC1	27995172	YPADFKNTEDLJBH-GHTZIAJQSA-N	397.475	2.473	0	1	GEAF	
FC(F)(F)c1n[nH]cc1-c1ccnc(Nc2ccc(N3CCNCC3)cn2)n1	64539084	BKZPGXYNQVAVMA-UHFFFAOYSA-N	390.373	2.434	0	1	GEAF	
Cc1ccccc1[C@@H]1C[C@H](O)[C@H](O)[C@H]1NS(=O)(=O)c1ccc(Cl)cc1	2356549320	YQIXETPBAZTAGL-XSLAGTTESA-N	381.881	2.205	0	1	GEAF	
Cc1cc(Nc2nc(S(C)(=O)=O)cn3c(-c4cn[nH]c4)cnc23)sn1	72111216	KKEKWBHUJBTFPD-UHFFFAOYSA-N	375.439	2.031	0	1	GEAF	
NC[C@H](c1cccnc1)N1CCN(c2ncnc(N)c2-c2ccc(F)cc2)CC1	219313340	LZEIZJWSDOAMHN-GOSISDBHSA-N	393.470	2.082	0	1	GEAF	
Cc1cc(N)nc(C[C@H]2CNC[C@H]2NCCNCCc2ccc(Cl)cc2)c1	40940234	HWRHGOUNQXGWCL-FXAWDEMLSA-N	387.959	2.178	0	1	GEAF	
CS(=O)(=O)Nc1ccc(-c2ncc(/C=C3\SC(=N)NC3=O)s2)cc1	95755626	GTBUIRMKTBPGCQ-WDZFZDKYSA-N	380.476	2.320	0	1	GEAF	
COC(=O)C1=C[C@H]2C3=C(N4CCOCC4)c4ccccc4N(C)C3=N[C@H]2C=C1	98085285	DZGFIACXEOQLFQ-SJORKVTESA-N	377.444	2.246	0	1	GEAF	
Cc1ncc(-c2nc(-c3ccc(N(C)S(C)(=O)=O)cc3)cs2)c(N)n1	587923999	XOCJQHJNVGUITC-UHFFFAOYSA-N	375.479	2.554	0	1	GEAF	
COC(=O)c1cc(Br)c2[nH]c(CNC(=O)c3cscn3)nc2c1	587028443	PFMOWTCESXUDDU-UHFFFAOYSA-N	395.238	2.499	0	1	GEAF	
NS(=O)(=O)c1cccc(-c2ccc([C@@H]3NCCc4nc5ccccn5c43)o2)c1	962987119	UPLGTOWNLSFPEK-IBGZPJMESA-N	394.456	2.477	0	1	GEAF	
COc1cc2c(cc1OC)C(=O)[C@@H](C(=O)OC[C@@H]1CN1Cc1ccccc1)C2	1772637879	CJCRSGVCWCGTRH-WSJPMQGYSA-N	381.428	2.486	0	1	GEAF	
O=C(Nc1ccc(C(=O)N2C[C@@H]3CCO[C@H]3C2)cc1)N1Cc2ccncc2C1	166063208	TWENDCAVWTYMIJ-LPHOPBHVSA-N	378.432	2.490	0	1	GEAF	
O=C(NCc1ccc(F)c(F)c1)c1[nH]c(-c2ccc(F)cc2)nc(=O)c1O	205687941	RDGSMSLOEKXETJ-UHFFFAOYSA-N	375.306	2.490	0	1	GEAF	
Cc1ccc(C2=NN(CC(=O)NCc3ccc4c(c3)OCO4)C(=O)CC2)cc1	4708432	FNLUOICJQMMWCI-UHFFFAOYSA-N	379.416	2.367	0	1	GEAF	
COc1ccc(CO/C(O)=C2\C(C)=N[C@@]3(O)c4ccccc4C(=O)[C@]23O)cc1	103997125	HCFNCNDSJQJXSB-OADSPKGTSA-N	381.384	2.229	0	1	GEAF	
COc1ccccc1N1C(=O)[C@@H](Cc2ccccc2)N=C1N1CCN(C)CC1	9644804	RHLUBGAAFPZYLN-GOSISDBHSA-N	378.476	2.257	0	1	GEAF	
CCNC[C@H]1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2N)C1	27546685	SHRKIUDYVCQRBK-LLVKDONJSA-N	388.443	2.192	0	1	GEAF	
CCCS(=O)(=O)NC(=O)[C@]1(C)CCCN(C(=O)c2c(F)cccc2F)C1	61928546	KJDIPMOTKRNTML-QGZVFWFLSA-N	388.436	2.063	0	3	GEAF	
O=C(O)[C@@H]1N=C(c2c[nH]c3ccc(O)cc23)c2c(O)ccc3[nH]cc(c23)[C@@H]1O	2356788611	CENUKZGRHMADRE-MOPGFXCFSA-N	377.356	2.398	0	1	GEAF	
C[C@@]1(c2cc(NC(=O)c3ccc(Cl)cn3)cnc2F)N=C(N)O[C@H]2C[C@H]21	220652306	LFPQUTJLZYXZEW-ANTHHZPCSA-N	375.791	2.470	0	1	GEAF	
CCCNC(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2CC2CCCCC2)O1	95886483	LQDIADHJFKFRSI-FUMNGEBKSA-N	382.545	2.092	0	1	GEAF	
CCCc1cn(CC[C@@H]2CC[C@@H](NC(=O)C3CCCCC3)[C@H](CO)O2)nn1	95675276	GHLUFTIHFDMMKJ-OTWHNJEPSA-N	378.517	2.226	0	1	GEAF	
O=C(O)C[C@H]1C[C@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@H]2[C@H](CO)O1	95899390	NDCVSESZJQEXEJ-FDZBUTDGSA-N	390.436	2.220	0	1	GEAF	
Cc1ncc(Cn2cc(CSc3nnc(-c4ccc(F)cc4)o3)nn2)c(N)n1	653720535	RERJQWSGFZSLDN-UHFFFAOYSA-N	398.427	2.488	0	1	GEAF	
C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cccc(OC(F)(F)F)c2[nH]1	586938495	KDDFAUUJSLRUNM-MRVPVSSYSA-N	389.359	2.235	0	1	GEAF	
O=C(O)[C@@H]1NC[C@@H]2C[C@]3(Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)[C@H]21	587346374	MGDMOFNVDUQUNZ-RGGWISNESA-N	383.375	2.322	0	1	GEAF	
COC(=O)C(=O)C[C@@]1(c2ccc(OC)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	587441613	HVGZQPGOSAJSKM-ZHRRBRCNSA-N	396.395	2.479	0	1	GEAF	
CCn1c(=O)n(O)c(=O)c2cc(-c3cn(Cc4ccccc4C)nn3)ccc21	1772585423	GOPONFKXWDTXDI-UHFFFAOYSA-N	377.404	2.036	0	1	GEAF	
Cc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2cn3ccccc3n2)c1	114077977	OYLJPVORLWINFY-UHFFFAOYSA-N	375.436	2.103	0	1	GEAF	
O=c1cccc2n1C[C@@H]1C[C@H]2CN(Cc2nnc(-c3ccc4c(c3)OCO4)o2)C1	20177785	FTKVAEAZIKGCJX-HIFRSBDPSA-N	392.415	2.246	0	1	GEAF	
Cc1cccc(S(=O)(=O)NC(=O)[C@@]2(C)CCN2C(=O)Cc2ccsc2)c1	61907054	LQWIIANYTAWHEU-GOSISDBHSA-N	392.502	2.095	0	3	GEAF	
C[C@@H]1O[C@H](Oc2ccc(-c3coc4cc(O)ccc4c3=O)cc2)C[C@@H](O)[C@@H]1O	2356871841	YLQMKZXPOROVMQ-GUDLYQINSA-N	384.384	2.401	0	1	GEAF	
O=C(N[C@H]1CCN2C(=O)c3ccc(Cl)cc3NC(=O)[C@@H]2C1)c1cccnc1	8300063	IMMZGRFNVSAAES-BBRMVZONSA-N	384.823	2.090	0	1	GEAF	biogenic
Cc1ccccc1-c1nc(C(=O)N[C@H](C(=O)N2CCCNCC2)C(C)C)co1	82070164	QLEXJRBIQUQCBM-SFHVURJKSA-N	384.480	2.226	0	1	GEAF	
COc1cc2nc(CNC(=O)CNC(=O)OCc3ccccc3)[nH]c2cc1C	587227033	IDVHMEZIJFMMRK-UHFFFAOYSA-N	382.420	2.423	0	1	GEAF	
O=C(N[C@@H](Cc1nc2ccc(CCO)cc2[nH]1)C(=O)O)OCc1ccccc1	587204206	VZVNJANJTOHMHN-KRWDZBQOSA-N	383.404	2.020	0	1	GEAF	
CCn1cc([C@@]2(CN3CCOCC3)CC(=O)c3cc(C)cc(N)c3O2)c(C)n1	587392237	XTFCECFXAWHSKF-NRFANRHFSA-N	384.480	2.295	0	1	GEAF	
O=C(O)c1cccc2c1CCN[C@]2(CN1CCNCC1)c1ccccc1Cl	963128426	ABBNTGUKDKYURV-NRFANRHFSA-N	385.895	2.333	0	1	GEAF	
COc1cccc(-n2cc(CN(C)C(=O)[C@@H]3CCC(=O)N(C4CC4)C3)cn2)c1	12577750	XXMSUCVHQSWRJC-MRXNPFEDSA-N	382.464	2.240	0	3	GEAF	
CCN(CC)S(=O)(=O)N1CCC(C(=O)N[C@H]2CCCc3ccccc32)CC1	4142226	KAVRAJNLYAUVDZ-IBGZPJMESA-N	393.553	2.479	0	3	GEAF	
NC(=O)c1cccc2[nH]c(-c3ccc(OCc4cn(CCF)nn4)cc3)nc12	103270629	HMAYBNNANSGTEN-UHFFFAOYSA-N	380.383	2.469	0	1	GEAF	
CC(=O)N(CCN1CCOCC1)c1cn(-c2ccc(Cl)c(Cl)c2)nn1	143089665	ZRARDUFHMZPWRE-UHFFFAOYSA-N	384.267	2.259	0	1	GEAF	
CCC(=O)Nc1ccc2c(c1)OC[C@@H](C)NC[C@@H](C)[C@H](OC)CN(C)C2=O	95688590	ACBVZQMFXFPRGI-HBUWYVDXSA-N	377.485	2.129	0	1	GEAF	
O=C(Nc1ccccc1F)N[C@@H]1CC[C@@H](CCNC(=O)C2CCC2)O[C@H]1CO	95903901	SNFIVQMNSFUFJY-QGTPRVQTSA-N	393.459	2.162	0	1	GEAF	
Cc1ccc(-n2nccn2)c(C(=O)N2[C@H]3CC[C@H]2[C@@H](Nc2ccc(F)cn2)C3)n1	473179283	BUAUJEIAVYPDGR-JYJNAYRXSA-N	393.426	2.362	0	1	GEAF	
COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCc1nnnn1C	587392665	VBAUSSQVMMSEFH-KRWDZBQOSA-N	395.419	2.395	0	1	GEAF	
COC(=O)c1ccnc2[nH]c(CNS(=O)(=O)/C=C/c3ccc(C)cc3)nc12	586941401	SQOMBZGTZQJESF-CSKARUKUSA-N	386.433	2.143	0	1	GEAF	
COc1ccc(S(=O)(=O)N[C@@H](c2nc3cccc(C)c3[nH]2)[C@H](C)O)cc1	586937320	SRDWQQDCFBKCKE-YVEFUNNKSA-N	375.450	2.280	0	1	GEAF	
O=C(Cn1nnnc1CN1CCCCCC1)N1CCCC[C@H]1c1cccnc1	11937994	DEOXSDDRYOAKAX-SFHVURJKSA-N	383.500	2.198	0	1	GEAF	
NC(=S)Nc1nn2c(=O)[nH]c(=S)[nH]c2c1Cc1cccc2ccccc12	169309425	CHARDNKCLAAMRR-UHFFFAOYSA-N	382.474	2.480	0	1	GEAF	
C[C@]1(c2ccc(OC(F)F)cc2)NC(=O)N(CC(=O)c2ccncc2)C1=O	1857557546	UPBRTRRXAHKONK-GOSISDBHSA-N	375.331	2.333	0	1	GEAF	
COc1ccc(-c2cc3c(N[C@H](CO)CC4CC4)c(C(N)=O)cnn3c2)cn1	1857592696	ACLSCELQVISBCN-HNNXBMFYSA-N	381.436	2.077	0	1	GEAF	
C[C@]1(CO)CN(Cc2ccccc2)C[C@H]2CN(C(=O)C3CCCCC3)CCN21	2356303607	ZOUROXXITOTHRM-JTHBVZDNSA-N	385.552	2.346	0	1	GEAF	
CC(C)CCNC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCC3)cc12	2464829	XIANNIDEGAQQHA-UHFFFAOYSA-N	391.493	2.089	0	1	GEAF	
NC(=O)CC[C@H](NC(=O)OCc1ccccc1)c1nc2ccsc2c(=O)o1	3633119	SDSLDSLPVWQZLW-ZDUSSCGKSA-N	387.417	2.483	0	1	GEAF	
CN(C)S(=O)(=O)c1ccc(-c2cc(-c3ccncc3)cc(C(N)=O)c2O)cc1	28703846	LJXXHNWVEAZKJI-UHFFFAOYSA-N	397.456	2.470	0	1	GEAF	
CC(=O)NC[C@H]1CN(c2ccc(-n3ccc(CCCO)c3)c(F)c2)C(=O)O1	28093046	JTHYLLDLECCIGA-INIZCTEOSA-N	375.400	2.003	0	1	GEAF	
COc1ncc(Nc2ncc(C(C)(C)CO)cc2-c2nc(C)nc(N)n2)cc1F	113240795	VWJMXEJPKWZLNL-UHFFFAOYSA-N	399.430	2.380	0	1	GEAF	
COCC=C1CN2[C@H]3C[C@@]45C(=Nc6cc7c(c(OC)c64)OCO7)OC[C@@H]3[C@H]1C[C@@H]25	2356490087	WMCCCBHUPACQNU-BDHOVPHQSA-N	396.443	2.401	0	1	GEAF	
COc1ccccc1[C@H]1CN(c2cc(-c3ccncn3)cc(=O)n2C)CCO1	66066670	UXIBAVJUVOXYPB-LJQANCHMSA-N	378.432	2.429	0	1	GEAF	
COc1ccc2c(c1)[C@]13CCN(CC4CC4)[C@H](C2)[C@]1(O)C[C@H](CC(=O)O)C(=O)C3	217075554	QMPGKHYVAFTWNZ-DQOBCGMHSA-N	399.487	2.158	0	1	GEAF	
CC(=O)N1CCN(c2ncc(C(=O)N3CCCC3)c(-c3ccc(F)cc3)n2)CC1	82139982	BVPROJHELZJSGL-UHFFFAOYSA-N	397.454	2.187	0	1	GEAF	
NC(=O)c1c(-c2ccccc2)c(Cl)n2c1CN(C(=O)N[C@H]1CCOC1)CC2	223400946	PYTHVMSMQAMHLV-ZDUSSCGKSA-N	388.855	2.222	0	1	GEAF	
O=C(c1cccc(C(F)(F)F)c1F)N1CCc2c(nnn2-c2ncccn2)C1	225997131	DPLVEZJPUODUHZ-UHFFFAOYSA-N	392.316	2.414	0	1	GEAF	
Nc1cc(Nc2cc(Cl)ccc2F)nc2c(/C=C3\CC(=O)NC3=O)cnn12	145927845	JQZXCMCTEKIIGS-FPYGCLRLSA-N	386.774	2.278	0	1	GEAF	
c1cnc2ccc(Cn3nnc4ncc(-c5cnn([C@@H]6CCNC6)c5)nc43)cc2c1	95555652	APDIXVQXPVLGGS-QGZVFWFLSA-N	397.446	2.216	0	1	GEAF	
OC[C@@H](O)c1cccc(-n2ncc3c(OCCc4ccccc4)ncnc32)c1	621477333	FNYUJXBTFVGBCM-LJQANCHMSA-N	376.416	2.463	0	1	GEAF	
CCOc1ccc(-c2nn(-c3nncn3N)c(=O)c3ccccc23)cc1OCC	587669735	NPYRSCBNLYZFNM-UHFFFAOYSA-N	392.419	2.155	0	1	GEAF	
CCS(=O)(=O)c1ccc2nc(CNC(=O)[C@H](C)Oc3ccccc3)[nH]c2c1	587225814	VASPCALPTULSHO-ZDUSSCGKSA-N	387.461	2.440	0	1	GEAF	
C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc(C(F)(F)F)ncc2[nH]1	586958704	LBRVOFYKXLIIFW-AWEZNQCLSA-N	386.355	2.446	0	1	GEAF	
Cc1cc2c(cc1O)[C@]1(N[C@H](C(=O)O)C2)C(=O)Nc2cc(F)c(Cl)cc21	963507854	KARDBGSFQXEJKC-KBXCAEBGSA-N	376.771	2.288	0	1	GEAF	
CC[C@@H](N[C@@H](C)CC(N)=O)c1ccc(Cl)c(C(=O)c2ccc(N)nn2)c1F	1772600505	HUBKNRLTLYWGGB-JOYOIKCWSA-N	393.850	2.387	0	1	GEAF	
COc1cc([C@@H]2OC(=O)[C@H]3[C@H](c4ccc(O)c(OC)c4)OC(=O)[C@@H]23)ccc1O	5808608	DNJFYRXUTBVKIJ-BDXSIMOUSA-N	386.356	2.243	0	1	GEAF	endogenous,in-man
Cc1noc(C)c1Cn1cc(NC(=O)N(CC(=O)O)Cc2cccc(O)c2)cn1	1857576781	BKJHBJCQLZMZFG-UHFFFAOYSA-N	399.407	2.361	0	1	GEAF	
CSc1ccc(-c2nc(C(=O)NC(=N)N)c(N)nc2N2CCCCCC2)cc1	1857753791	AVLMBSIOZMRMRW-UHFFFAOYSA-N	399.524	2.451	0	1	GEAF	
O=C(c1ccccc1)N1CC2(CN(Cc3ccccc3)C[C@H]3COCCN32)C1	2356289388	UZFQOOPFOSGCRT-NRFANRHFSA-N	377.488	2.098	0	1	GEAF	
CN1CCCN(C(=O)c2cccc(Cc3n[nH]c(=O)c4ccccc34)c2)CC1	28570353	VBHQNBUGNQIIHH-UHFFFAOYSA-N	376.460	2.292	0	1	GEAF	
O=C(Nc1cnn2ccc(N3CCC[C@@H]3c3cccc(F)c3)nc12)N1CC(O)C1	118394402	XMJIQDRPYVNBGS-QGZVFWFLSA-N	396.426	2.418	0	1	GEAF	
CC1=C[C@H](CNC(=O)COCC(=O)O)[C@@H](C(C)C)C[C@H]1CC(=O)N1CCCC1	2356300295	GLJKOEMKENEXGO-RCCFBDPRSA-N	394.512	2.071	0	1	GEAF	
CC(C)N1C[C@H]2COCCN2C2(CN(C(=O)c3ccc(C(F)(F)F)cc3)C2)C1	2356652260	VBNGJHMAQGBEFE-KRWDZBQOSA-N	397.441	2.325	0	1	GEAF	
CCOC(=O)c1ccc(NC(=O)N2CCCN2C(=O)[C@@H](N)[C@@H](C)CC)cc1	28135237	IBOYYXJFLGIIGZ-BBRMVZONSA-N	376.457	2.218	0	1	GEAF	
NC(=S)c1cn(-c2ccc(S(N)(=O)=O)cc2)nc1-c1ccc(Cl)cc1	71316990	GIIZIKPVNIZSPD-UHFFFAOYSA-N	392.893	2.474	0	1	GEAF	
Cc1cnc(N2CCN(c3ncccn3)CC2)nc1NCCNc1ccccc1	82203844	BMSGHCSBDCUSET-UHFFFAOYSA-N	390.495	2.426	0	1	GEAF	
C[C@H]1CNc2c(NCc3ccc(O)cc3)c(=O)n(Cc3ccccc3)c(=O)n21	82210780	FWDUMRBAXQWFKH-AWEZNQCLSA-N	378.432	2.363	0	1	GEAF	
C[C@@H]1COc2c(N3CC[C@H](CN(C)C)C3)c(F)cc3c(=O)c(C(=O)O)cn1c23	40676988	PNZILQZIFUUTGZ-VXGBXAGGSA-N	389.427	2.180	0	1	GEAF	
CCCCOC(=O)COC(=O)[C@H]1CCCN(C(=O)c2csc(CC)n2)C1	82069659	ZVYBIVJSFRYEKN-ZDUSSCGKSA-N	382.482	2.444	0	1	GEAF	
COc1ccc2c3c([nH]c2c1)[C@@H](CO)NCC31CN(C(=O)c2ccccc2)C1	95796080	AXBNFAPAULOJKB-GOSISDBHSA-N	377.444	2.207	0	1	GEAF	
C[C@H](NC(=O)C[C@@H]1C(=O)N[C@@H](c2ccccn2)N[C@@H]1C)c1ccc(F)cc1F	618012322	BOEWYRHUEHZAQP-RHQBZFHZSA-N	388.418	2.350	0	1	GEAF	
Cc1cnc(N2CCC[C@@H](C(N)=O)C2)nc1NCCCN(C)c1ccccc1	299879665	LAYDWANNAYHKFF-QGZVFWFLSA-N	382.512	2.425	0	1	GEAF	
CCOC(Cn1nc(-c2ccc(OC)c(OC)c2)c2c(N)ncnc21)OCC	653874477	CLLHJCOKOWCXJG-UHFFFAOYSA-N	387.440	2.492	0	1	GEAF	
COCCNC(=O)c1cccc(NC(=O)CCc2nc3ccc(C)nc3[nH]2)c1	587230204	GFSXECYPRBPLMV-UHFFFAOYSA-N	381.436	2.214	0	1	GEAF	
O=C(Cc1ccc2c(O)nc(O)nc2n1)c1cc(Br)ccc1O	587367502	XCHIKBVNOZYYKT-UHFFFAOYSA-N	376.166	2.330	0	1	GEAF	
CCCCNS(=O)(=O)c1ccc2nc([C@H](N)Cc3cscn3)[nH]c2c1	587030063	ZMIGYKIZAAVXCC-CYBMUJFWSA-N	379.511	2.340	0	1	GEAF	
CNC1=C[C@@]2(C(Cl)=NN1C)c1ccccc1C[C@]1(C3CCC3)C(=O)NC(=O)N21	962640310	OBTUEGJHLAACPD-PMACEKPBSA-N	399.882	2.087	0	1	GEAF	
CO[C@@H]1O[C@H](C)[C@@H](NC(=O)OCC(Cl)(Cl)Cl)[C@@H]2OC(C)(C)O[C@H]21	17220519	YFKJKRUBPJRRGY-HOTMZDKISA-N	392.663	2.363	0	1	GEAF	
CC(C)C[C@H](NC(=O)c1ccc([C@H]2CCCO2)c(OCC2CC2)n1)C(N)=O	207731903	IHVNIYBPPRFFEB-DLBZAZTESA-N	375.469	2.352	0	1	GEAF	
COc1ccc([C@@H]2C(=O)NC(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1O	1857647835	WNQVDNJUOULNBQ-MRXNPFEDSA-N	388.376	2.224	0	1	GEAF	
O=C(CS(=O)(=O)c1cccc2nsnc12)NCc1ccccc1Cl	8600628	DHNFJUJQICPCIM-UHFFFAOYSA-N	381.866	2.435	0	1	GEAF	
CC1CCN(S(=O)(=O)N2CCC[C@H](C(=O)N[C@@H]3CCCC[C@@H]3C)C2)CC1	8662103	CLLHEFHZMWYOCX-OKZBNKHCSA-N	385.574	2.370	0	1	GEAF	
COc1ccc(CN[C@@H]2C[C@H](O)[C@@H](CO)[C@H]2Cc2ccnc(C(C)C)n2)cc1	2356288823	LJTIMLQZYYXGBR-MHTWAQMVSA-N	385.508	2.299	0	1	GEAF	
COc1ccc(CCNC[C@@H](O)COC(=O)c2ccccc2F)cc1OC	25972908	YMVQSMCQGLJHKQ-OAHLLOKOSA-N	377.412	2.193	0	1	GEAF	
O=C(Cc1ccc(F)cc1)NCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1	28878955	UPIMCPQIJMGNSO-UHFFFAOYSA-N	396.466	2.465	0	1	GEAF	
COc1cc([C@H]2Oc3cc4occc(=O)c4cc3O[C@H]2CO)cc(OC)c1O	2356578891	KIALIUIIYHDOKW-AZUAARDMSA-N	386.356	2.389	0	1	GEAF	
O=C(c1ccccc1)c1cccc(C=c2nc(O)c(=Cc3cccnc3)nc2O)c1	299838525	UYRDXISPAXDTSX-UHFFFAOYSA-N	395.418	2.171	0	1	GEAF	
Cc1csc([C@](O)(Cc2nc3c(O)nc(S)nc3[nH]2)C(F)(F)F)n1	587094248	NXDNHKPEWJFBRH-LLVKDONJSA-N	377.373	2.105	0	1	GEAF	
CNS(=O)(=O)N1CCC(c2nc3cc(Br)c(F)cc3[nH]2)CC1	586955124	UOJVWGWYOWYBAV-UHFFFAOYSA-N	391.266	2.108	0	1	GEAF	
CNS(=O)(=O)c1ccc(CCc2nc3cc(OC)c(OC)cc3[nH]2)cc1	586946657	NYRHAFRVPOEGFH-UHFFFAOYSA-N	375.450	2.273	0	1	GEAF	
O=S(=O)(c1ccc2nc(-c3ncccc3Cl)[nH]c2c1)N1CCOCC1	587065196	MBTTXXAODOIUCD-UHFFFAOYSA-N	378.841	2.299	0	1	GEAF	
O=C(O)c1cc2n(n1)CCC[C@@]21N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21	962971151	SOSBDLZATRLJIJ-DYZYQPBXSA-N	397.765	2.149	0	1	GEAF	
COc1cc2c(cc1OC)C(=O)[C@H](C(=O)OC[C@@H]1CN1Cc1ccccc1)C2	1772637877	CJCRSGVCWCGTRH-LRUZPBGCSA-N	381.428	2.486	0	1	GEAF	
COc1cc2c(=O)n(CCc3ccc4c(c3)OCO4)cnc2c(OC)c1OC	12360797	MHBUBAUFDSSCJX-UHFFFAOYSA-N	384.388	2.394	0	1	GEAF	
COc1cc2ncnc(N3CCN(C(=O)Nc4cccnc4)CC3)c2cc1OC	13491525	HKJAUNDAAQAGDN-UHFFFAOYSA-N	394.435	2.396	0	1	GEAF	
COC(=O)CCN1C(=O)c2c(C)nc3ccc(Br)cc3c2C1=O	14947204	BDXDCSVSLUUFJF-UHFFFAOYSA-N	377.194	2.465	0	1	GEAF	
NC(=O)c1c(F)ccc(OCc2nn(Cc3ccc(Cl)cc3)c(=O)o2)c1F	1857535577	PCSGPFWEBNLCBY-UHFFFAOYSA-N	395.749	2.494	0	1	GEAF	
CN=c1ccc(C(C)(C)C(=O)N[C@H]2[C@H]3C[C@@H]4C[C@H]2C[C@@](CC(N)=O)(C3)C4)c[nH]1	1857550034	WRLITWGJOVVDNY-WFQZEPFKSA-N	384.524	2.009	0	1	GEAF	
CS(=O)(=O)c1cc(O)c(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)cn1	1857585478	XUCLWPUKHUHMOU-UHFFFAOYSA-N	397.261	2.298	0	1	GEAF	
CCC(CC)O[C@@H]1C=C(C(=O)NCc2ccccc2F)C[C@H](N)[C@H]1NC(C)=O	1857632092	ITPZOWJIQRIMRZ-XUVXKRRUSA-N	391.487	2.178	0	1	GEAF	
CO[C@@H]1CNC(=O)N(C[C@@H](O)Cn2c3ccc(F)cc3c3cc(F)ccc32)C1	1857638852	KNJPHYCUACQSBX-HUUCEWRRSA-N	389.402	2.474	0	1	GEAF	
O=C(O)CCC(=O)N1C[C@H]2C[C@H]1C(=O)N(Cc1ccccc1)c1ccccc1O2	2356301532	BBGPBEFWGGYPKC-AEFFLSMTSA-N	394.427	2.447	0	1	GEAF	
CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1[C@H]2COC[C@@H]1C[C@@H](C(N)=O)C2	101095665	RHXKGFMFYVEJCA-WTHWONHRSA-N	380.872	2.140	0	1	GEAF	
C[C@]1(C(=O)NS(=O)(=O)C2CC2)CCCN(C(=O)c2cccc(Cl)c2)C1	61903273	LPJMFSUOLFLSDL-KRWDZBQOSA-N	384.885	2.191	0	3	GEAF	
NS(=O)(=O)c1ccc(F)cc1NS(=O)(=O)CCc1ccc(Cl)cc1	143609109	OPKXYGSFCHBLHJ-UHFFFAOYSA-N	392.861	2.111	0	1	GEAF	
COc1ccc(C(=O)N2CC[C@H]3NC(=O)N(c4ccc(F)cc4)C(=O)[C@@H]32)cc1	25412507	DSZZNNBZNOEDAV-IAGOWNOFSA-N	383.379	2.174	0	1	GEAF	biogenic
CCCNC(=O)N[C@H]1CC[C@H](CCn2cc(C3CCCCC3)nn2)O[C@@H]1CO	95903202	DEXIUYVPHBRLOT-ZIFCJYIRSA-N	393.532	2.334	0	1	GEAF	
COc1cc2c3c(c1)O[C@@](C)(Cn1c(=O)oc(=O)c4ccccc41)[C@@H](C2)C3=O	587436958	WJWUABACVODNQY-QKKBWIMNSA-N	379.368	2.170	0	1	GEAF	
CCOC(=O)CCOCCCOCCc1nc2cc(OC)c(OC)cc2[nH]1	587570324	VHWOSPSKCAFZGO-UHFFFAOYSA-N	380.441	2.499	0	1	GEAF	
Oc1nc(O)c(I)c(-c2nc3ccc(Cl)nc3[nH]2)n1	587181831	FISSZVZQGFQPQX-UHFFFAOYSA-N	389.540	2.084	0	1	GEAF	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@H](C(=O)O)N(C(=O)OC(C)(C)C)C1)O2	587397271	ZDBTWYKTMLIBHY-BFUOFWGJSA-N	376.409	2.375	0	1	GEAF	
CCc1cnc(N[C@H]2CCC[C@@H]2NC(=O)c2ccccc2-n2nccn2)cn1	1772638875	CNZGIHJORNGBDA-IRXDYDNUSA-N	377.452	2.383	0	1	GEAF	
Cc1cc(-c2ccc(Cl)cn2)[nH]c1C(=O)N[C@@H](CN)c1ncc(CO)s1	1857553547	LYJLBRBEPGBBQG-AWEZNQCLSA-N	391.884	2.417	0	1	GEAF	
CCOC(=O)C1=C(N)Oc2n[nH]c(C)c2[C@@H]1c1cc(=O)oc2ccc(OC)cc12	1857628715	DGKRAYUEONXKLY-INIZCTEOSA-N	397.387	2.091	0	1	GEAF	
CC1CCN(C[C@H]2CN3CC[C@H]2C[C@H]3CNS(=O)(=O)c2ccccc2)CC1	2356298726	XOEJDJIPWVYDQQ-UFYCRDLUSA-N	391.581	2.407	0	1	GEAF	
CC[C@H](C)C1=C2N=C3OC=CC=C[C@@]3(O)C(=O)N2[C@@H](Cc2ccccc2)C(=O)N1	2356622624	KEGQNQRTFBYGDC-DDVAMESESA-N	393.443	2.015	0	1	GEAF	
COc1cccc(NC(=O)N2CCN3C(=O)N(c4ccccc4)C(=O)[C@@H]3C2)c1	8299470	OEZYZTNPSGOBQF-KRWDZBQOSA-N	380.404	2.380	0	1	GEAF	biogenic
CC(=O)Nc1ccc(NC(=O)[C@@H]2CNC(=O)N(c3ccc(F)cc3)C2=O)cc1	211159956	NLRSIWJNYXDBBV-INIZCTEOSA-N	384.367	2.095	0	1	GEAF	
Nc1ncnc2c1ncn2Cc1ccc(C[n+]2ccc(N3CCCC3)cc2)cc1	73258052	MEUYMTOCABQOAN-UHFFFAOYSA-N	386.483	2.393	0	1	GEAF	
COc1cc(C[C@H]2O[C@@H](CC(=O)c3ccc(O)c(OC)c3)C[C@H]2O)ccc1O	32296422	LAISPMSUAQZCQJ-FIKMYACPSA-N	388.416	2.449	0	1	GEAF	
C[C@H]1Cc2c(c(O)cc3cc4c(c(O)c23)C(=O)[C@](C)(O)C(=O)C4(C)C)C(=O)O1	15252638	HWTCLZDFHWHYSX-PPRQPISWSA-N	384.384	2.146	0	1	GEAF	biogenic
C[C@@H]1CNc2c(NCc3cccc(O)c3)c(=O)n(Cc3ccccc3)c(=O)n21	82210786	NMEUYXHTKMZDDM-CQSZACIVSA-N	378.432	2.363	0	1	GEAF	
COc1ccc(CNC(=O)c2c(C)n(O)c3cc(F)c(F)cc3[n+]2=O)cc1	49071778	LKOXTXXVHDJOEM-UHFFFAOYSA-O	376.339	2.318	0	1	GEAF	
CC[C@@H]1C2=C3N(CCCC2)[C@H]([C@@H]2C[C@H](C)C(=O)O2)C[C@@]32OC(=O)[C@H](C)[C@H]2[C@H]1O	257379557	AQNPGXKKPJKNFG-QKTMEMSXSA-N	389.492	2.399	0	1	GEAF	
COc1cc2nc(C)n(-c3ccccc3Cn3ccnn3)c(=O)c2cc1OC	299857289	FEPZLLYONXEPAM-UHFFFAOYSA-N	377.404	2.351	0	1	GEAF	
CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2ccnc(O)c2[nH]1	586935954	KIZLCNJSVIJGHE-ZDUSSCGKSA-N	378.479	2.436	0	1	GEAF	
O=S1(=O)CCCN1C[C@@H](O)Cn1c2cccc(F)c2c2c(F)cccc21	148564619	HOVFCIQLOZMWIF-GFCCVEGCSA-N	380.416	2.469	0	1	GEAF	
CN(CCc1ccc(Br)cc1)C1CCN(c2nc(N)n[nH]2)CC1	1772635541	DRIHQKATVUWZLY-UHFFFAOYSA-N	379.306	2.293	0	1	GEAF	
COc1ccc(S(=O)(=O)N2CCN(C(=O)C[C@H]3C[C@@H]4CC[C@@H]3C4)CC2)cc1	102383074	QRMGJWYOAAEHEU-BRWVUGGUSA-N	392.521	2.354	0	1	GEAF	
CCOC(=O)c1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc(F)cc2)c1	8097744	BJTPEQWBTGERBK-UHFFFAOYSA-N	394.424	2.262	0	3	GEAF	
CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccncc1	100073724	RNXSFTSARFPJDJ-CQSZACIVSA-N	394.431	2.392	0	1	GEAF	
CC1=C(Sc2cccc(Br)c2)[C@@H](COCCO)C(=O)NC1=O	102807488	ZLFJCZVDOSFNSI-GFCCVEGCSA-N	386.267	2.097	0	1	GEAF	
Cn1cnc(S(=O)(=O)NCc2cccc([C@@H](CN)Cc3ccccc3)c2)c1	114245179	BRSSHYRDXFAGBU-LJQANCHMSA-N	384.505	2.184	0	1	GEAF	
COC(=O)[C@H]1[C@@H](C)OC[C@H]2[C@@H]3N(C(C)=O)c4ccccc4[C@@]34CCN(C)[C@H]4C[C@H]21	138022402	MUNURTJJRWIXFH-XPHIZEEDSA-N	398.503	2.208	0	1	GEAF	
COc1ccc([C@H]2C[C@@H]2COc2cc(NCc3ccccn3)c(=O)n(C)n2)nc1	221914796	ZBNJEZHKAPPRLQ-PBHICJAKSA-N	393.447	2.374	0	1	GEAF	
CN1C(=O)N(c2ncccn2)C[C@H]1C(=O)NCc1ccc(Cl)cc1Cl	95565711	IXYQQHDQIWWVJI-ZDUSSCGKSA-N	380.235	2.340	0	1	GEAF	
CC(C)CN[C@@H]1CO[C@@H]2[C@@H](Nc3nccc(-c4ccc(N(C)C)cc4)n3)CO[C@H]12	36369392	RZHJEQPLMZYSSN-PLACYPQZSA-N	397.523	2.402	0	1	GEAF	biogenic
CCOC(=O)[C@H]1C[C@]2(CC(=O)c3cc(C)cc(N)c3O2)C[C@H]1C(=O)OCC	587399373	JMZIYIIPYUXXOG-IKDJWVMYSA-N	375.421	2.434	0	1	GEAF	
O=C(c1ccc2nc(-c3ncccc3Cl)[nH]c2c1)N1CCN(CCO)CC1	587064526	BUZINIDMFQUFJT-UHFFFAOYSA-N	385.855	2.028	0	1	GEAF	
O=C(O)[C@H]1C[C@]2(C[C@H]1C(=O)O)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1	587612794	WIZMJGJTEPCMMZ-NSQZSPDQSA-N	384.340	2.288	0	1	GEAF	
O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2nc([C@H](O)[C@@H](O)CO)[nH]c12	586889326	KPTKLIGCPLBLRS-DZGCQCFKSA-N	395.337	2.221	0	1	GEAF	
Cc1cccc(C(=O)N[C@]2(C(=O)O)Cc3ccc(C(N)=O)cc3C2)c1OC(C)C	168016021	FNJVCJZJYDGWOH-JOCHJYFZSA-N	396.443	2.233	0	1	GEAF	
N#CN1CC[C@@H](NC(=O)c2ccc3c(c2)OCCN3c2nccc(C3CC3)n2)C1	1857611170	LVATWXODBSHCTF-MRXNPFEDSA-N	390.447	2.170	0	1	GEAF	
COc1ccc(NC(=O)N2CCN(c3nc(N)nc4scnc34)CC2)c(C)c1	205811328	ORDYJLMIDYXYDC-UHFFFAOYSA-N	399.480	2.340	0	1	GEAF	
C[C@H]1CCC[C@H](NC(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)[C@@H]1C	6435895	SJIAFGFEYJAHQX-VBQJREDUSA-N	398.500	2.401	0	1	GEAF	
O=C(NCCc1ccc(Cl)cc1)c1noc2ncnc(N3CCOCC3)c12	9687931	NNUUBHRQNRAOPV-UHFFFAOYSA-N	387.827	2.080	0	1	GEAF	
CCCc1ccc(CCc2cc3cn([C@H]4C[C@H](O)[C@@H](CO)O4)c(=O)nc3o2)cc1	28710401	KXOOHTPFBFKTRE-XUVXKRRUSA-N	398.459	2.368	0	1	GEAF	
CCOC(=O)[C@H](CCc1ccccc1)O[C@@H](C)C(=O)N1CCC[C@@H]1C(=O)O	28757327	FOJRYJADYAOGSC-UAGQMJEPSA-N	377.437	2.032	0	1	GEAF	
C[C@H]1C[C@H](C)N(C[C@@H](O)CNS(=O)(=O)c2cccc(Cl)c2Cl)C1	28892150	OLWHNGIYJGTQGH-SRVKXCTJSA-N	381.325	2.363	0	1	GEAF	
O=C(Nc1nnc(Br)o1)c1c(O)cc(-c2ccccc2)oc1=O	34056506	DGKGFVQUNBJLJX-UHFFFAOYSA-N	378.138	2.410	0	1	GEAF	
CCOC(=O)CN(CC(F)(F)F)C1=C[C@H]2C(C(F)(F)F)=CC(=O)N[C@@H]2C=C1	34799921	KAMLTZGDMAYCDB-CMPLNLGQSA-N	398.303	2.471	0	1	GEAF	
CCCc1cn(CC[C@@H]2CC[C@H](NC(=O)C3CCCCC3)[C@@H](CO)O2)nn1	95675277	GHLUFTIHFDMMKJ-GBESFXJTSA-N	378.517	2.226	0	1	GEAF	
COC(=O)C[C@@H]1C=C[C@H](NC(=O)Nc2ccc(C(F)(F)F)cc2)[C@@H](CO)O1	95677646	PYGNPVIZRZQEAZ-MELADBBJSA-N	388.342	2.075	0	1	GEAF	
O[C@H](COc1cccc(CNC2CCNCC2)c1)CN1CCc2ccccc2C1	219776532	LDERCLHTDVSNCG-QHCPKHFHSA-N	395.547	2.326	0	1	GEAF	
COC(=O)N1c2ccccc2[C@@H]2[C@H]3N4CCC[C@]35CC[C@@]21[C@@](O)(C5)C(=O)CC4	238733936	XOIGPMIFRQEUAS-FTSHXLFYSA-N	382.460	2.448	0	1	GEAF	
CC1=C(C(=O)O[C@@]23OC[C@]4(C)[C@@]2(C)C(=O)C[C@]2([C@@H](C)CC[C@]24O)[C@@H]3O)CCC1	263638170	SGFRFWVBCRSHNZ-PMBRNAONSA-N	390.476	2.264	0	1	GEAF	
O=C(NC[C@@H]1CO[C@H](CNC(=O)c2ccccc2Cl)CO1)c1ccccc1	1772635211	XQFCSFCNEMQPAG-HZPDHXFCSA-N	388.851	2.284	0	1	GEAF	
COc1cc(/C=C2\SC(=O)N(C)C2=O)c(Br)cc1-c1nn[nH]n1	1857553286	FQDAVAVWZLZZRW-WMZJFQQLSA-N	396.226	2.304	0	1	GEAF	
Cc1ccc(C(=O)N2CCN3[C@H](CN(Cc4ccccc4)C[C@]3(C)CO)C2)cc1	2356303311	QLZYDQSMDMQVPU-ISKFKSNPSA-N	393.531	2.388	0	1	GEAF	
O[C@@H]1[C@H](NCc2ccccc2)[C@H]2CO[C@@H](O2)[C@@H]1n1cc(-c2ccccc2)cn1	2356319883	OTDDEKUWJXSDEK-LMYCIYFBSA-N	377.444	2.366	0	1	GEAF	
CC=C1CN2[C@H]3C[C@@]45c6cc(OC)c(OC)cc6N[C@@]4(O3)[C@H]2C[C@H]1[C@@H]5C(=O)OC	2356567939	CRKDVBVOAIRDNW-QSERVGRKSA-N	398.459	2.263	0	1	GEAF	
CC1CCN(S(=O)(=O)N2CCC(C(=O)NCc3cccs3)CC2)CC1	3060400	LAFAKNJWRPPOFB-UHFFFAOYSA-N	385.555	2.053	0	3	GEAF	
O=S(=O)(NCCCCCNS(=O)(=O)c1ccccc1)c1ccccc1	3100943	LUHVSZLRUBXKKD-UHFFFAOYSA-N	382.507	2.114	0	3	GEAF	
O=C(c1ccc2nc(N3CCOCC3)sc2c1)N1CCC2(CC1)OCCO2	4111051	FCGAQBRGDSKAAT-UHFFFAOYSA-N	389.477	2.112	0	3	GEAF	
CCC(C)=CC(=O)O[C@H]1[C@@H](O)C=C(C(=O)OC)C[C@H]1OC(=O)C=C(C)CC	2356374890	JBACGGCHMOGCEM-FCEWJHQRSA-N	380.437	2.387	0	1	GEAF	
CCOC(=O)C1=C(N)Oc2[nH]c(=S)[nH]c(=O)c2[C@@H]1c1ccc(Cl)cc1	7342749	ISLQWWGRJLDPGI-SECBINFHSA-N	379.825	2.344	0	1	GEAF	
CC(=O)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)c2n3[C@H](C)S2)CC1	27524607	USEJRFJWOAADSD-JTQLQIEISA-N	391.424	2.132	0	1	GEAF	
COc1cc(OC)c(OC)c2c1N=C1OC[C@H]3[C@@H]4C[C@@]12[C@H]1C[C@H]3C(=CCO)CN41	2356721914	SGRASRCZUGHSHN-OAQLSHMXSA-N	398.459	2.035	0	1	GEAF	
O=C(N[C@@H]1CO[C@@H]2[C@H](Nc3nccc(-c4ccco4)n3)CO[C@H]12)C1CCCCC1	2356809941	AUIKHVJYXPWRBI-PSBWJHGTSA-N	398.463	2.380	0	1	GEAF	
NC(=O)Cc1cccc(NC(=O)[C@H](CC2CCCCC2)NC(=O)c2ccno2)c1	1911582475	CEPVPZWDNZPXCM-KRWDZBQOSA-N	398.463	2.410	0	1	GEAF	
CN1CCc2cc3c(cc2[C@@H]1[C@@H](O)c1ccc2c(c1C(=O)O)OCO2)OCO3	14859635	WUOGMWBLNQGZRV-MSOLQXFVSA-N	385.372	2.105	0	1	GEAF	biogenic
Cc1c(N2CCN(C(=O)c3ccccc3)CC2)c(=O)oc2cc(O)cc(O)c12	45369648	DBBHQQBNEWROEL-UHFFFAOYSA-N	380.400	2.475	0	1	GEAF	
Cc1c(C[C@@H](C)C(=O)NC2=C(C(=O)O)CCCC2)cnn1-c1ccc(O)cn1	49034779	PDENJILFWPCWQR-GFCCVEGCSA-N	384.436	2.489	0	1	GEAF	
NC(=O)[C@@H]1CCCN(c2ncc(C(=O)NCC3CC3)c(-c3ccccc3F)n2)C1	82151865	YOFVSYNMWGCUMZ-CQSZACIVSA-N	397.454	2.124	0	1	GEAF	
CCOC(=O)C[C@H](O)[C@@H](CC(C)C)NC(=O)[C@H](NC(=O)CC(C)C)C(C)C	40525819	FOQFTNGVLMVBTQ-JTDSTZFVSA-N	386.533	2.018	0	1	GEAF	
COc1ccccc1-c1ccc([C@H]2[C@H](CO)N(C(C)=O)C23CN(C(C)=O)C3)cc1	95666971	FIBBXZRMTLYBLV-UNMCSNQZSA-N	394.471	2.270	0	1	GEAF	
CN(C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]1CCN(C#N)C1)c1ccccc1	621431665	UAOPRGLHOVLHLP-QUCCMNQESA-N	391.475	2.115	0	1	GEAF	
NS(=O)(=O)c1ccc2nc(-c3nnn(-c4ccc(F)cc4)c3C3CC3)[nH]c2c1	587168307	FMXVVWBZTRBKMR-UHFFFAOYSA-N	398.423	2.475	0	1	GEAF	
N[C@H](N=O)c1ccc2nc(-c3nccnc3I)[nH]c2c1	587186700	PLQXOFVOZJSWJP-LLVKDONJSA-N	380.149	2.348	0	1	GEAF	
COc1ccc(Cc2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)cc1OC	587927896	YTWYAIQAKHETBD-UHFFFAOYSA-N	375.450	2.421	0	1	GEAF	
CN1C(=O)c2ccccc2[S@@](=O)c2ccc(C(=O)NCCN3CCCC3)cc21	169309908	PYVFEIJTIUOBFF-MUUNZHRXSA-N	397.500	2.269	0	1	GEAF	
CC(=O)N1N=C(c2ccc(OS(N)(=O)=O)cc2)C[C@@H]1c1ccc(F)cc1	1857555168	CVJMUMOSXWYGMQ-QGZVFWFLSA-N	377.397	2.106	0	1	GEAF	
Cc1c(N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@@H]3C2=O)[C@@H]2C[C@H]42)c(=O)n(-c2ccccc2)n1C	12577832	QKMUGOSVGDEHFO-RFSXOUPVSA-N	375.428	2.042	0	1	GEAF	
Nc1ccc2c(c1)[nH]c(=O)n2C1CCN(C[C@H]2COc3ccccc3O2)CC1	27901044	PQAYTJWAHXYSKW-INIZCTEOSA-N	380.448	2.389	0	1	GEAF	
Cc1cccc(C)c1NC(=O)[C@@H](C)NCCNC(=O)C1=CC(C)(C)NC1(C)C	40466901	ZVGGCUUGVAYHQU-MRXNPFEDSA-N	386.540	2.423	0	1	GEAF	
COc1ccc(OC)c(CCNc2nc(N3CCC[C@H](C(N)=O)C3)ncc2C)c1	82204331	WQWINPLVRRUCEX-INIZCTEOSA-N	399.495	2.159	0	1	GEAF	
C[C@H]1CN([C@H](C)CO)C(=O)c2cccc(N(C)C)c2O[C@H]1CN(C)CC1CC1	95861418	NQBYIEPUWCEMNR-YRNRMSPPSA-N	389.540	2.315	0	1	GEAF	
COc1cccc(N2CCN(CN3C(=O)C[C@@](C)(c4ccccc4)C3=O)CC2)c1	96921843	PDXYGLFZMMSOBR-QHCPKHFHSA-N	393.487	2.492	0	1	GEAF	
O=C([C@H]1CC12CCN(C1CCOCC1)CC2)N1CCCN(C2CCC2)CC1	103244094	BDOPQVFPHYQRME-HXUWFJFHSA-N	375.557	2.354	0	1	GEAF	
CC(C)c1ccc(NC(=O)C[C@H]2C(=O)OC(C)(C)CN2S(C)(=O)=O)cc1	145059674	SFVGVDLWHIURDE-HNNXBMFYSA-N	382.482	2.104	0	1	GEAF	
Cc1nn(C)c(C)c1S(=O)(=O)N1CCC(O)(Cc2ccc(Cl)cc2)CC1	207267026	YVDXRGVJGBJRDN-UHFFFAOYSA-N	397.928	2.449	0	1	GEAF	
O=C(NC[C@@H](O)CN1CCc2ccccc2C1)c1cccc(-c2ccn[nH]2)c1	217119277	BKPPPSJTGGVTON-HXUWFJFHSA-N	376.460	2.226	0	1	GEAF	
O[C@H](COCc1ccc(CN2CCOCC2)cc1)CN1CCc2ccccc2C1	219723415	UQYISVCDHZMSNO-DEOSSOPVSA-N	396.531	2.455	0	1	GEAF	
Cn1cc(S(=O)(=O)N2C[C@H](c3ccc(F)cc3)C(c3ccccc3)=N2)nn1	653837937	WKUUERZLEADBPL-MRXNPFEDSA-N	385.424	2.147	0	1	GEAF	
CCOC(=O)[C@H]1CCNC(=O)[C@@]12c1ccsc1CCN2Cc1cccnc1	962999333	XOZJSJFVWLERNS-OXQOHEQNSA-N	385.489	2.096	0	1	GEAF	
CCOC(=O)C(C[C@]1(C)NC[C@H]2CC(=O)N(C)c3cccc1c32)C(=O)OCC	963018937	DAKXOUGLRHKXIU-ASSNKEHSSA-N	388.464	2.088	0	1	GEAF	
Cc1ccnc(Oc2ccc3nc(C(=O)N[C@@H]4CCS(=O)(=O)C4)ccc3c2)n1	1772622012	HQWCQCCGZWTWOZ-CQSZACIVSA-N	398.444	2.042	0	1	GEAF	
C=c1cc2c(o1)=C[C@@H]1[C@H]([C@H](O)C[C@]3(O)C(C)(C)CC[C@H](OC(C)=O)[C@]13C)[C@H]2C	2356459974	GKDZFZCQXJRZKI-CMGSJCFVSA-N	388.504	2.074	0	1	GEAF	
CCc1c(C(=O)C(N)=O)c2c(OCC(=O)O)cccn2c1Cc1ccccc1	1544110	ZMNHMLQLQBCOAW-UHFFFAOYSA-N	380.400	2.224	0	1	GEAF	
C=C1C=C(C(=O)OCC)Oc2c(CO)c3c(c(OC)c21)C[C@H](C(C)(C)O)O3	2356769466	GGYHVWZVOBZTDY-CQSZACIVSA-N	376.405	2.115	0	1	GEAF	
CNCC(=O)NC[C@@H]1CCCc2cc(S(=O)(=O)c3cccc(F)c3)ccc21	49035110	DZSWVOUBCXRCEE-HNNXBMFYSA-N	390.480	2.414	0	1	GEAF	
CC(=O)Oc1cc(OC(C)=O)c(I)c(OC(C)=O)c1	140434893	SFMIXIMTPNQPPS-UHFFFAOYSA-N	378.118	2.067	0	1	GEAF	
CNC(=O)C1CN(C(=O)c2ccc3c(c2)[C@@](O)(C(F)(F)F)c2ccccc2-3)C1	144716964	NBUMNDPKQOXNDU-LJQANCHMSA-N	390.361	2.283	0	1	GEAF	
COc1c2c(cc3c1[C@@H]1OC(=O)[C@H]([C@@H]3c3ccc4c(c3)OCO4)[C@@H]1CO)OCO2	95559196	ROTFEJQWSQLKSJ-QOQPWIFLSA-N	398.367	2.121	0	1	GEAF	
COc1ccccc1NS(=O)(=O)c1ccc2nc([C@H](N)C3COC3)[nH]c2c1	587257114	VFOLNSDWGRAYMB-QGZVFWFLSA-N	388.449	2.019	0	1	GEAF	
COC(=O)C[C@@]1(C(OC)OC)N[C@@H](C)Cc2cc(Br)c(F)cc21	587789781	DKSXAUOEURKQFE-XXFAHNHDSA-N	390.249	2.500	0	1	GEAF	
CCC(=O)[C@@H]1C(=O)OC(C)=C[C@]12N[C@@H](C(=O)O)Cc1c2cnc2ccccc12	963239560	XFPIKIJMECUWLU-HGHGUNKESA-N	380.400	2.085	0	1	GEAF	
Cc1cc2c(cc1O)[C@](C)(c1ccc(N3C(=O)CCC3=O)cc1)N[C@H](C(=O)O)C2	963513259	ZVQZFVCIGHNBMT-JTSKRJEESA-N	394.427	2.216	0	1	GEAF	
C[C@H](c1nc(O)c2cnn(C3CCOCC3)c2n1)N1CC(c2ccncc2)C1	1772585546	WFLIGVUCLCPZPL-CYBMUJFWSA-N	380.452	2.439	0	1	GEAF	
COC(=O)[C@]1(C)N[C@@H](c2ccccc2C)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21	19237014	RHVGEUXBJDKUEV-RQXXJAGISA-N	378.428	2.377	0	1	GEAF	
O=C(Nc1ccccc1C(=O)NCCN1CCOCC1)c1cc(F)cc(F)c1	1857590775	IEKNFWYKDKTNTH-UHFFFAOYSA-N	389.402	2.279	0	1	GEAF	
CN1CC(=O)N2[C@H](C[C@@H]3c4ccccc4N[C@@H]3[C@H]2c2ccc3c(c2)OCO3)C1=O	22001380	ZUQFYMRCEZGBHF-CPUXHMLJSA-N	391.427	2.107	0	1	GEAF	
C[C@@H]1NS(=O)(=O)[C@H]2C[C@H]3C=C[C@]2(O3)[C@H]1OC(=O)c1ccc(C(C)(C)C)cc1	103109078	ROWKHGXZVHDRAP-UBGXMQACSA-N	391.489	2.297	0	1	GEAF	
COc1c(N2CC[C@@](C)(CN)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12	38896705	SCTCRZQETAVKDR-FQEVSTJZSA-N	389.427	2.357	0	1	GEAF	
Cc1ccc(NC(=O)[C@H]2[C@@H]3C=C[C@]4(CN(Cc5cccnc5)C(=O)[C@@H]24)O3)cc1F	195243515	MHLHARLAZLJYDT-PSHVLCQKSA-N	393.418	2.450	0	1	GEAF	
C[C@@H]1COCCN1c1cc(C[S@](C)(=N)=O)nc(-c2ccnc3[nH]ccc23)n1	96174405	FEFZJKWFEQKDHO-KHXSAUHESA-N	386.481	2.422	0	1	GEAF	
CCN(C[C@@H]1N[C@@H](CO)[C@H]1c1ccc(-c2ccc(F)cc2)cc1)C(=O)CN(C)C	95895168	PBPLHHOPBMFPKA-FUDKSRODSA-N	399.510	2.319	0	1	GEAF	
N#CN1CC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)C1	621431445	IHGOJDDZBIEQDF-PMACEKPBSA-N	392.459	2.196	0	1	GEAF	
C[C@H]1CC(=O)N([C@@H](C)C(=O)N2CCN(c3cccc(Cl)c3Cl)CC2)C1=O	653801598	ILODGRMPAAQTAR-RYUDHWBXSA-N	398.290	2.426	0	1	GEAF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)C2(O)O	587823118	SKCACCOATJKIGZ-VVVCHXIZSA-N	392.224	2.243	0	1	GEAF	
COC(=O)C1CCN(C(=O)C[C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)CC1	587435385	GAEQJBWDVPYQHS-VFNWGFHPSA-N	387.432	2.003	0	1	GEAF	
CCOC(=O)[C@H]1CN(C(=O)OCC)CC[C@]12CC(=O)c1cc(C)cc(N)c1O2	587395177	LBTICYPNKJUMOW-VLIAUNLRSA-N	390.436	2.323	0	1	GEAF	
COc1cc2c3c(c1)O[C@]1(C(=O)N4CCCc5cc(C(=O)O)cc1c54)[C@@H](C2)C3=O	587439283	UTPUPXUCKSHLSM-NYHFZMIOSA-N	391.379	2.329	0	1	GEAF	
O=S(=O)(c1ccc2nc(C(F)(F)c3ccccn3)[nH]c2c1)N1CCOCC1	587089368	BYTCDVPTNXXYDM-UHFFFAOYSA-N	394.403	2.119	0	1	GEAF	
O=S1(=O)CCCN1C[C@H](O)Cn1c2ccc(F)cc2c2cc(F)ccc21	148445043	XLBOUDFCXXKSDF-AWEZNQCLSA-N	380.416	2.469	0	1	GEAF	
CN1C(=O)[C@@H](N2CCc3cn(CC4CCC4)nc3C2=O)COc2ccccc21	1772657281	GOBCVJFMAJZWSO-KRWDZBQOSA-N	380.448	2.106	0	1	GEAF	
Cc1ccc(-c2nc(CS(=O)(=O)CC(=O)NC[C@@H]3CCCO3)c(C)o2)cc1	5058374	UADMQGDKEPPDAA-INIZCTEOSA-N	392.477	2.168	0	1	GEAF	
Nc1ncc(-c2ccc(CN3CCOCC3)s2)cc1C(=O)Nc1ccnnc1	150019801	ISADMOXHYKRVEW-UHFFFAOYSA-N	396.476	2.267	0	1	GEAF	
CC(C)CN=c1nc(-c2cccc(C(F)(F)F)n2)[nH]c(=NC2CCOCC2)[nH]1	1857648946	HMYVTKZZQWQDGE-UHFFFAOYSA-N	396.417	2.455	0	1	GEAF	
CC(C)c1nccc(C[C@H]2[C@@H](CO)[C@H](O)C[C@H]2NCc2ccc3c(c2)OCO3)n1	2356732433	HILKCFMYXRICBE-WJFTUGDTSA-N	399.491	2.019	0	1	GEAF	
COCC(=O)NC[C@H]1C[C@H]2CCN1C[C@H]2CN1CCC(Cc2ccccc2)CC1	2356771004	NIHJNZRWNSXWFW-DNVJHFABSA-N	399.579	2.414	0	1	GEAF	
C[C@@H]1N[C@H](CCCCCCCCC[C@H](O)CC(=O)O)[C@H](N2CC=NC2)C[C@H]1O	2356840402	MQJRCFDXPXHVHL-CENDIDJXSA-N	397.560	2.157	0	1	GEAF	
Cc1nc(NCCN(C)C)nc(Sc2nnc3c4ccccc4n(C)c3n2)n1	49600033	POEWZFJRXNJUOY-UHFFFAOYSA-N	395.496	2.135	0	1	GEAF	
O=C(Nc1c2n(c(=O)n(Cc3ccc(Cl)c(Cl)c3)c1=O)CCN2)C1CC1	82204865	ATIYJNGRPRGXIS-UHFFFAOYSA-N	395.246	2.139	0	1	GEAF	
CO[C@@H](C)[C@H]1[C@@H]2C[C@H]3C4=Nc5ccccc5[C@]45C[C@@H]([C@H]2[C@@H]5OC(C)=O)N3[C@@H]1O	194828278	XHABFDBTVXEZFH-AJQPVMLHSA-N	382.460	2.018	0	1	GEAF	
NC(=O)[C@@H]1CCCN(c2ncc(C(=O)N3CCCC3)c(-c3ccccc3)n2)C1	82133066	PUXGDRWLBHYNCP-MRXNPFEDSA-N	379.464	2.081	0	1	GEAF	
O=C(c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1)N1C[C@@H]2CCO[C@H]2C1	146555696	DDROWFUGYPOEDL-BBRMVZONSA-N	379.407	2.187	0	1	GEAF	
CCc1c(-c2ccc(N3C[C@H]4NCCC[C@@H]4C3)cc2)[nH]c(=O)c(C(=O)O)c1O	145399321	CHFQWHJSGYEFBZ-CZUORRHYSA-N	383.448	2.196	0	1	GEAF	
CCCc1cn(CC[C@H]2CC[C@@H](NC(=O)C3CCCCC3)[C@@H](CO)O2)nn1	95675279	GHLUFTIHFDMMKJ-GUDVDZBRSA-N	378.517	2.226	0	1	GEAF	
CCOC(=O)[C@H](CCc1ccccc1)O[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O	253690450	FOJRYJADYAOGSC-XIRDDKMYSA-N	377.437	2.032	0	1	GEAF	
O=C(/C=C/c1ccccc1)O[C@@H](c1ccccc1)[C@H]1O[C@@H]2CC(=O)O[C@@H]2[C@H]1O	299821646	GDYNBHXFRSGEGM-FDZXOFLGSA-N	380.396	2.428	0	1	GEAF	
COC(=O)Cn1cc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)nn1	587761477	USQNXBBIQXRNOZ-JDNHERCYSA-N	397.248	2.150	0	1	GEAF	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H](C)N1CCOCC1	587869701	NJVLVAZAFSCIFW-LLVKDONJSA-N	384.358	2.333	0	1	GEAF	
COC(=O)[C@@H](C[C@]1(c2cccnc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3)N=O	587436325	NVXZSVFQRJXXSD-STXHMFSFSA-N	382.372	2.431	0	1	GEAF	
CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2c(O)ncnc2[nH]1	586984020	GASXHZWFYQZAAM-NSHDSACASA-N	376.214	2.241	0	1	GEAF	
O=C(NCc1cccc(Cl)c1)[C@H]1CCC(=O)N(CCCN2CCCC2=O)C1	12455759	XKEABYHRZDBCRX-INIZCTEOSA-N	391.899	2.207	0	3	GEAF	
Cn1ccc(CC(=O)N2CCC[C@H]2C(=O)Nc2cccc(-n3cccn3)c2)c1	12711588	JOQSZPMWFSDOFV-IBGZPJMESA-N	377.448	2.383	0	1	GEAF	
CN(C)CCCNC(=O)c1ccc2c(c1)N(C)C(=O)c1ccccc1[S@]2=O	169309913	GAUDHVYNVFYMSQ-HHHXNRCGSA-N	385.489	2.125	0	1	GEAF	
CCn1c(/C=C/c2ccc(Br)cc2)nc2c1c(=O)n(C)c(=O)n2C	169699046	WTGWTELVFKCMKQ-JXMROGBWSA-N	389.253	2.387	0	1	GEAF	
O=C(Nc1nc(N2CCOCC2)c2nc[nH]c2n1)c1ccccc1C(F)(F)F	1857576029	KHCHRZQQMLPHGW-UHFFFAOYSA-N	392.341	2.461	0	1	GEAF	
COc1ncc(F)c2nc(NS(=O)(=O)c3c(Cl)cccc3Cl)nn12	103193992	HESLQFPDPPOTQS-UHFFFAOYSA-N	392.199	2.380	0	1	GEAF	
Cc1cc2ccccc2c(=O)n1CC(=O)NCC(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C	20112522	OIKYAYVZXUPPOB-IDHHARJASA-N	383.492	2.367	0	1	GEAF	
CCc1nc2ccc(C(=O)N(C)CCN(C)C)cn2c1N(CC)CCOC	61898855	GSECHRWEBPNACS-UHFFFAOYSA-N	375.517	2.003	0	3	GEAF	
O=C(NC1CCCCC1)O[C@@H]1CO[C@@H]2[C@H]1OC[C@H]2n1cc(-c2ccccn2)nn1	2356816359	DALLJYDIRGVNDH-YRXWBPOGSA-N	399.451	2.106	0	1	GEAF	
CN(CC[C@@H]1CC[C@@H](O)[C@@H](C(=O)NC2CCCCC2)O1)Cc1cccnc1	2356856019	RVSVDDLHJYAACK-ZCNNSNEGSA-N	375.513	2.261	0	1	GEAF	
COc1cc2c(c(CO)c1O)C[C@@H]1c3c(cc4c(c3OC)OCO4)CCN1C2	14587534	GCNUCNXJBYOFTI-OAHLLOKOSA-N	385.416	2.286	0	1	GEAF	biogenic
O=C(Nc1cccnc1C(=O)NCC1CCOCC1)c1cccc2c1OCCO2	95594232	NOPAIBYDUUIVJE-UHFFFAOYSA-N	397.431	2.262	0	1	GEAF	
CNS(=O)(=O)c1cc(-c2nc3cc(F)c(Br)cc3[nH]2)n(C)c1	586947631	WWIKUUKJFWMNHE-UHFFFAOYSA-N	387.234	2.378	0	1	GEAF	
COC(=O)c1cc2nc(-c3ccc(OCC(=O)NC(C)C)c(OC)c3)[nH]c2cn1	587223006	LNQGCFOMVOVFIQ-UHFFFAOYSA-N	398.419	2.324	0	1	GEAF	
COc1ccccc1NS(=O)(=O)c1ccc2nc(CC(=O)N(C)C)[nH]c2c1	587197674	SDWIFNXXJXBNSE-UHFFFAOYSA-N	388.449	2.003	0	1	GEAF	
NS(=O)(=O)NCCC1CCN(c2cc(-c3cccc(Cl)c3)ncn2)CC1	1772603047	RKRCJTSWXUSCPU-UHFFFAOYSA-N	395.916	2.197	0	1	GEAF	
COc1n[nH]c2cc(NC(=O)N[C@@H](c3ccccc3)[C@@H](O)C(C)C)nc(CO)c12	1772636637	MDEUQTVPKIASIW-ROUUACIJSA-N	399.451	2.339	0	1	GEAF	
O=C(NCCN1CCOCC1)c1ccc(OC2CCN(C3CCC3)CC2)cc1	1857552743	RIGYZBIHNQNPLQ-UHFFFAOYSA-N	387.524	2.144	0	1	GEAF	
CCOC(=O)Cn1c(=O)oc2cc(S(=O)(=O)Nc3ccccc3F)ccc21	4958874	UEGVFVVDYQALAS-UHFFFAOYSA-N	394.380	2.098	0	1	GEAF	
COc1cccc(-c2ccc3c(c2)[C@]2(N=C(N)N(C)C2=O)[C@H]2COCC[C@@H]2O3)c1	103253353	BWRXNKMJTLMWHA-JLMWRMLUSA-N	393.443	2.142	0	1	GEAF	
CC(C)Nc1nc(-c2ccc(N3CC[C@H](O)C3)cc2)cc2ncn(C)c(=O)c12	115626317	YQWDOGORCPKROI-INIZCTEOSA-N	379.464	2.387	0	1	GEAF	
O=C(O)C[C@H]1CCN(C(=O)C2CCOCC2)C[C@@H]1Cc1nc2ccccc2[nH]1	2356305959	VVJXUCNVZQQRHU-CVEARBPZSA-N	385.464	2.471	0	1	GEAF	
CC(C)(C(=O)N1CCC(CC(=O)O)CC1)[C@@H](O)/C=C/c1ccc(C(=N)N)cc1	26250900	DOWXOJUYCAFWAZ-JZLODUJNSA-N	387.480	2.084	0	1	GEAF	
CN(NS(=O)(=O)/C=C/c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1	26263079	CXXTXRDSOUEGIP-VAWYXSNFSA-N	386.882	2.466	0	1	GEAF	
CC(=O)C[C@@H]1C(=O)[C@](O)(CO)[C@H]2CC[C@@](C)(C2)[C@@H]1C=COC(=O)C=C(C)C	2356449719	VSXXXICJCOSCLJ-QIBQCXCESA-N	378.465	2.334	0	1	GEAF	
Cc1cc(C(=O)N[C@H](Cc2ccccc2)C(=O)O)c(O)c2c1C[C@H](C)OC2=O	2356457772	BVASHDNGWPDVAK-BLLLJJGKSA-N	383.400	2.228	0	1	GEAF	
C[C@H](CCCCCCCC[C@H](O)CC(=O)O)O[C@@H]1O[C@H](C)[C@H](O)C[C@H]1O	2356495008	ARJGFPSUJRWUSF-JCIRTYSKSA-N	376.490	2.205	0	1	GEAF	
CCC(=O)NC1CCN(CCNC(=O)c2nn(C(C)C)c3ccccc23)CC1	29568707	KUAJJHQCTFVNNZ-UHFFFAOYSA-N	385.512	2.338	0	1	GEAF	
CSCC[C@H](CO)NC(=O)COc1ccc2c(C)c(C)c(=O)oc2c1C	2356760743	KQVAWPHAIIGKTG-CQSZACIVSA-N	379.478	2.327	0	1	GEAF	
CCS(=O)(=O)NC1CCN([C@H](c2cnccn2)c2ccc(F)cc2F)CC1	72101849	WBDKFVSPHNULCE-SFHVURJKSA-N	396.463	2.248	0	1	GEAF	
CC(=O)Nc1c2n(c(=O)n(Cc3ccccc3)c1=O)[C@@H](c1ccccc1)CN2	82209967	LWONWECOHVUXIO-QGZVFWFLSA-N	376.416	2.032	0	1	GEAF	
CCCOc1ccc2cc(S(=O)(=O)N[C@H](CCC(=O)O)C(=O)O)ccc2c1	45497649	UFGCXZMCRZDZQP-MRXNPFEDSA-N	395.433	2.225	0	1	GEAF	
CC(=O)N[C@@H]1CCN(c2ncc(C)c(NCCCN(C)c3ccccc3)n2)C1	299881432	NZHYOKOLRBGHRY-GOSISDBHSA-N	382.512	2.438	0	1	GEAF	
Nc1nccc2nc(-c3sccc3S(=O)(=O)NCc3ccco3)[nH]c12	586946385	WOZRQDIWSMCLNL-UHFFFAOYSA-N	375.435	2.340	0	1	GEAF	
CN1CC[C@H](c2cccc(C(=O)NC[C@@H](O)CN3CCc4ccccc4C3)c2)C1	1772611075	BLZWWZUJJXPUOU-XZOQPEGZSA-N	393.531	2.255	0	1	GEAF	
CCOC(=O)[C@@]1(C)N[C@@H](c2ccc(O)cc2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21	169299914	WDRCVSJEVWHPTC-QLDGJZPUSA-N	394.427	2.164	0	1	GEAF	
CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@@H]2O/C(=C\CCCC(=O)NCCO)C[C@@H]21	169622080	QLBALZYOTXGTDQ-VFFCLECNSA-N	395.540	2.432	0	1	GEAF	
Cc1nc(C)c(C(=O)Nc2nc(CN3C[C@@H](C)O[C@H](C)C3)cs2)c(O)n1	1857653155	DELZOVNUDDVGQB-NXEZZACHSA-N	377.470	2.117	0	1	GEAF	
Cn1nc(C(=O)NC2CC(F)C2)c2ccc(N=c3[nH][nH]c4cccnc34)cc21	1857767449	OSEHHMJFQPVLAZ-UHFFFAOYSA-N	379.399	2.240	0	1	GEAF	
Nc1ncnc2c1ncn2CCOC[P@]1(=O)OCC[C@H](c2cccnc2)O1	28974820	QCQZZEMHOWRTHB-QWVSSGJLSA-N	390.340	2.149	0	1	GEAF	
CC(=O)S[C@H](C(=O)c1cccc(F)c1)[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O	27309370	PZYULGLJQCUJFF-OOVXXXAESA-N	381.425	2.368	0	1	GEAF	
O=C(O)c1ccccc1NC(=O)N1CCN(c2cnc3cc(O)ccc3n2)CC1	28969687	YBFBENHWPRGUMU-UHFFFAOYSA-N	393.403	2.388	0	1	GEAF	in-vitro
C[C@@H]1CN(C=O)[C@@H]2[C@@H]1CC[C@]1(CO)C(=O)CC[C@@H]3CCC=C3[C@]21CCC(=O)O	2356690257	QRJZOBVZBAQMAH-AJCCGCCGSA-N	389.492	2.402	0	1	GEAF	
CN(CC(N)=O)C[C@@H]1CCCc2cc(S(=O)(=O)c3cccc(F)c3)ccc21	49112359	XZULINOKXSMSLT-HNNXBMFYSA-N	390.480	2.496	0	1	GEAF	
CCOC(=O)c1cc(Cl)ccc1OCCCON1C(=N)NC(=N)NC1(C)C	45187969	YUWJBZWXBNQERT-UHFFFAOYSA-N	397.863	2.318	0	1	GEAF	
O=C(Cc1ccccc1)O[C@@H]1CCCC[C@H]1n1cc(CN2CCOCC2)nn1	82152643	WEIHQDAGPYFALW-WOJBJXKFSA-N	384.480	2.380	0	1	GEAF	
O=C(CC1CC1)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2C(=O)c1cccnc1	95794216	UDCLHFLVEFRBAT-CTNGQTDRSA-N	391.471	2.063	0	1	GEAF	
COC(=O)C1([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)CC(OC)(OC)C1	587444626	WOBXUIRRWZWKCZ-FZKQIMNGSA-N	376.405	2.144	0	1	GEAF	
O=C(O)C[C@@H](O)Cc1nc2cc(Br)c(Br)cc2[nH]1	586886233	ACVXIRXNQXBJIL-YFKPBYRVSA-N	378.020	2.466	0	1	GEAF	
Cc1csc([C@@H]2c3[nH]cnc3C[C@H]3C(=O)N4CCC[C@H]4C(=O)N32)c1Cl	963198723	AFYWYIDLTMUVSH-MJVIPROJSA-N	376.869	2.280	0	1	GEAF	
CN1C(=O)[C@@H](NC(=O)c2cnn(Cc3ccccc3)c2)COc2ccccc21	1772584288	DTHGKYMYOHZWJQ-KRWDZBQOSA-N	376.416	2.085	0	1	GEAF	
CO[C@]12COC(=O)[C@@H]1[C@@H](c1ccc3c(c1)OCO3)c1cc3c(cc1O2)OCO3	17249954	LKMOYPCVIIXXNG-BJLQDIEVSA-N	384.340	2.184	0	1	GEAF	
O=C(Nc1nnc(S)s1)N[C@@H](Cc1ccccc1)C(=O)N1CCCC1	13796982	RIKBZUAXWWQCJZ-LBPRGKRZSA-N	377.495	2.182	0	1	GEAF	
C[C@]12CCC3=C(CC(=O)[C@H]([C@H](O)CO)[C@@]3(C)CCC(=O)O)[C@@H]1CC[C@@H]2C(=O)O	2356325779	ZWUWJKRACXICAP-IXWPXFRUSA-N	394.464	2.007	0	1	GEAF	
O=C(C(=O)N1CCN(C(=O)c2ccccc2)CC1)c1c[nH]c2cccc(F)c12	3591490	XTGGYFJUBIZBKW-UHFFFAOYSA-N	379.391	2.474	0	1	GEAF	
COC(=O)[C@@H]1C[C@H](O)C[C@@H]2[C@@H]1C(=O)C[C@@H]1C(=O)O[C@H](c3ccoc3)C[C@]12C	6032353	LPHWMSVPEOJPHG-WEFWDAIHSA-N	376.405	2.039	0	1	GEAF	endogenous,in-man
C[C@@H](CC(=O)N(C)C1CCCCC1)S(=O)(=O)c1ccc2c(c1)NC(=O)CO2	6930931	IVVQOXCKFQAOJH-ZDUSSCGKSA-N	394.493	2.361	0	3	GEAF	
CN1[C@H]2CC[C@@H]1CN(c1nc3c(cc1F)c(=O)c(C(=O)O)cn3C(C)(C)C)C2	28765180	JOBSUSVEXIDLEH-TXEJJXNPSA-N	388.443	2.272	0	1	GEAF	
OCN(CO)c1c(Br)cccc1Nc1ncnc2ccncc12	29133434	QWDRFLWOAINIIY-UHFFFAOYSA-N	376.214	2.237	0	1	GEAF	
O=C1NC(=O)C(c2cn3c4c(cccc24)CNCC3)=C1c1ccc2c(c1)COC2	28132776	ZVSDEXYXGKLASP-UHFFFAOYSA-N	385.423	2.342	0	1	GEAF	
Cc1cccc(OCC2(CNCc3sc(C)nc3C)C[C@H](O)[C@@H](O)C2)n1	2356301574	MLZOKRWHRPCJLX-HOTGVXAUSA-N	377.510	2.134	0	1	GEAF	
CN1CCC(NC[C@@H]2O[C@@H](Cc3cc(-c4ccccc4)on3)CC[C@H]2O)CC1	2356404357	LVPLJXOBCVXANF-SJBKTWHCSA-N	385.508	2.476	0	1	GEAF	
CCOC(=O)c1nn(CC)c(=O)c2nn(-c3cc(C(=O)OC)ccc3C)c(C)c12	49783869	PHJOUEGDXDFJMF-UHFFFAOYSA-N	398.419	2.182	0	1	GEAF	
CCCCC(=O)NC[C@H]1CN(c2ccc(-c3nnc4ncccn34)cc2)C(=O)O1	71341718	GJICNHYAYGHUFC-INIZCTEOSA-N	394.435	2.423	0	1	GEAF	
CSc1nnc(Cn2nc(-c3ccc(C)cc3)n(N)c2=O)n1-c1ccccc1	43009282	VSVUWRUUIXYQEE-UHFFFAOYSA-N	393.476	2.085	0	1	GEAF	
CCOC(=O)C[C@@H](C)Nc1nc(N2CCN(c3ccccn3)CC2)ncc1C	82203831	RWRHQNUHUKLXJK-MRXNPFEDSA-N	384.484	2.260	0	1	GEAF	
CO[C@H]1CCC[C@@H]([C@H](C)Nc2nc(N3CCC(C(N)=O)CC3)ncc2C)C1	82203967	RDIGOLSUIFLSDB-UAGQMJEPSA-N	375.517	2.492	0	1	GEAF	
Cn1c(CC(=O)N2CCc3c(F)cccc32)nc(N2CCOCC2)cc1=S	147000126	RCDDMZBMZODIEZ-UHFFFAOYSA-N	388.468	2.257	0	1	GEAF	
O=C(O)C[C@H]1C[C@@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@@H]2[C@@H](CO)O1	95899393	NDCVSESZJQEXEJ-VWMOJTHMSA-N	390.436	2.220	0	1	GEAF	
COc1ccccc1CN1C(=O)c2c(C)nc(-c3nc(C)no3)c(N)c2C1=O	653749385	WIZIISVUSALETK-UHFFFAOYSA-N	379.376	2.135	0	1	GEAF	
CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)OCc1cc(=O)c(O)c[nH]1	653812737	UPHOSSOFAVECJN-UGSOOPFHSA-N	388.420	2.465	0	1	GEAF	
O=S(=O)(c1ccc2nc(COc3ccc(F)cc3)[nH]c2c1)N1CCOCC1	587170067	NKIOUBPXCGAUHL-UHFFFAOYSA-N	391.424	2.302	0	1	GEAF	
CC(C)[C@H](C(=O)OCC(=O)c1ccccc1)N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O	13151911	SUAQGZZDRBYGMI-HAYURNKSSA-N	381.428	2.244	0	1	GEAF	
O=C(O)C[C@H](NC(=O)CCCCc1ccc2c(n1)NCCC2)c1cncnc1	13558968	YVWHUWDPZJFVCO-KRWDZBQOSA-N	383.452	2.275	0	1	GEAF	
N=C(N)c1ccc([C@@H]2Cc3ccc(F)cc3B(O)O2)cc1OCc1cccnc1	1857563548	QMBYBZFEWIPUTA-IBGZPJMESA-N	391.211	2.085	0	1	GEAF	
O[C@@H]1[C@H](NC2CCC(F)(F)CC2)[C@H]2CO[C@@H](O2)[C@H]1n1cnc2ccccc21	2356311620	HJJVBLSFWPPYPX-SFFUCWETSA-N	379.407	2.230	0	1	GEAF	
Cc1c(N2CC[C@@](F)(CN)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12	6520941	GDZLOKRPGYCGFA-LJQANCHMSA-N	377.391	2.200	0	1	GEAF	
CCOC(=O)c1cc(Cn2c(=O)cc(C(F)(F)F)c3c(C)nn(C)c32)on1	21540952	PLSWYAAUTFHOGO-UHFFFAOYSA-N	384.314	2.275	0	1	GEAF	
CN1C(=O)[C@]2(N=C1N)c1cc(-c3cncc(Cl)c3)ccc1O[C@H]1CCOC[C@@H]12	103253316	VCJJWRHVWDIJCQ-KNBMTAEXSA-N	398.850	2.182	0	1	GEAF	
CC=CCC(=O)O[C@H](c1cc2ccc(=O)oc2cc1OC)[C@H](O)C(C)(C)O	2356649302	ISUIJLNCTODZEL-MOPGFXCFSA-N	376.405	2.484	0	1	GEAF	
CCOc1ccccc1C(=O)NCC1(N2CCN(C(C)C)CC2)CCOCC1	72179003	QSDOZSRIMYNGLX-UHFFFAOYSA-N	389.540	2.390	0	1	GEAF	
N[C@H](CCc1ccccc1)[P@](=O)(O)C[C@H](NCc1ccccc1)C(=O)O	40767286	TUZAXYBXMIKEII-ROUUACIJSA-N	376.393	2.417	0	1	GEAF	
CCNC(=O)NCc1ccc2c(c1)[nH]c(=O)n2-c1cc(Cl)c(O)cc1O	72107362	MLVRXZUTFAOHBQ-UHFFFAOYSA-N	376.800	2.203	0	1	GEAF	
Cc1cc(C(=O)N2CCCCc3ccccc32)ccc1CNC(=O)NCC(N)=O	40872857	PADZCOVJJWXXCN-UHFFFAOYSA-N	394.475	2.263	0	1	GEAF	
CNC[C@@H](O)CCN1c2ccccc2N(c2c(F)cccc2F)S1(=O)=O	49037077	KCQQWPYAESYXHU-LBPRGKRZSA-N	383.420	2.138	0	1	GEAF	
COC(=O)[C@@H]1C[C@H](O)C[C@@H]2[C@@H]1C(=O)C[C@@H]1C(=O)O[C@H](c3ccoc3)C[C@@]12C	257475753	LPHWMSVPEOJPHG-BLXIHYFYSA-N	376.405	2.039	0	1	GEAF	endogenous,in-man
CC[C@H](C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1)N1C(=O)CCC1=O	473128641	DKYGACQLIQPSIT-OAHLLOKOSA-N	397.397	2.282	0	1	GEAF	
N[C@H](Cc1cc(Cl)c(Cl)c(-c2cccc(S(N)(=O)=O)c2)c1)C(=O)O	653687053	CDKACIGVXOHPFH-CYBMUJFWSA-N	389.260	2.262	0	1	GEAF	
CCOC(=O)c1cccc([C@H]2N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)n1	963226523	OMSUKZUOWOSUGK-MOPGFXCFSA-N	377.400	2.495	0	1	GEAF	
O=C(CCN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@@H]34)[C@H]2C1=O)Nc1ccc(Cl)cc1O	169300910	CAXIQVSZUQAKEM-YZAWVJPMSA-N	386.835	2.427	0	1	GEAF	
COC1CCC2(CC1)Cc1ccc(-c3cnccn3)cc1[C@]21N=C(N)N(C)C1=O	201218239	KAKULGGJWZOCJI-UVOAEELBSA-N	391.475	2.257	0	1	GEAF	
CC(C)Oc1cc(S(C)(=O)=O)cc(S(=O)(=O)c2ccc(CN)s2)c1	1857597052	MPCPKPHVLUJQIL-UHFFFAOYSA-N	389.520	2.230	0	1	GEAF	
CN1C[C@@H]2C[C@@H]1CN2c1c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c2c1F	101764139	ITXLERDKFZOJPO-MNOVXSKESA-N	375.375	2.206	0	1	GEAF	
c1cncc(-c2cn(C[C@H]3CC[C@H](Cn4cc(-c5cccnc5)nn4)O3)nn2)c1	61959127	WXPQAIMWISJBRT-QZTJIDSGSA-N	388.435	2.241	0	3	GEAF	
COC(=O)[C@]1(C)CCC[C@]2(CO)[C@@H]3C[C@]4(O)OC(=O)C=C4[C@H](C)[C@@H]3CC[C@H]21	2356332075	ANVFGLCWJQWCRP-IIFNUBEISA-N	378.465	2.182	0	1	GEAF	
CC(=O)O[C@@H]1C=CC(C)(C)[C@@H]2CC[C@@]3(O)[C@@H](C[C@H]4OC(=O)C(C)=C4[C@H]3O)[C@@]21C	2356533589	LQBVAPXSEOYEIN-CMDILLMFSA-N	390.476	2.284	0	1	GEAF	
COc1ccc(OC2CCN(C(C)=O)CC2)c(C(=O)N2CCC[C@@H](OC)C2)c1	39356781	ONOWGYAVEWMJSF-GOSISDBHSA-N	390.480	2.336	0	1	GEAF	
COc1ccccc1C=C1C(=O)NN=C1c1c(O)n(C)c2ccccc2c1=O	3850451	ILQJDIXVZWQSSX-UHFFFAOYSA-N	375.384	2.170	0	1	GEAF	biogenic
Cc1ccc(CN2CCN(CC(=O)Nc3ccc4c(c3)OCC(=O)N4)CC2)cc1	43013238	QHAJBVLLTZOLRD-UHFFFAOYSA-N	394.475	2.082	0	1	GEAF	
CC(=O)NCCNc1ncc(C(=O)N2CCCCC2)c(-c2ccc(F)cc2)n1	82141010	FURGRWQCPOXCPW-UHFFFAOYSA-N	385.443	2.457	0	1	GEAF	
CNc1nnc(Cn2nc(Cc3ccc(OC)cc3)c3onc(C)c3c2=O)s1	84617694	WFMLRFLLZNEXJM-UHFFFAOYSA-N	398.448	2.234	0	1	GEAF	
CN(C)CC1CCN(CCn2nc(-c3cccc(O)c3)c3c(N)ncnc32)CC1	653874520	GKGXVBUQTOXKDO-UHFFFAOYSA-N	395.511	2.055	0	1	GEAF	
CN1CCN(C(=O)C2=C[C@H](C3CC3)C[C@H](OCc3ccc(CO)cc3)O2)CC1	12482252	VTWBQRNEZWDMGZ-PZJWPPBQSA-N	386.492	2.126	0	3	GEAF	
CC(C)[C@@H](C)NC1=NS(=O)(=O)c2cc(I)ccc2N1	13524741	NMVRHHRSJFWXNH-MRVPVSSYSA-N	393.250	2.396	0	1	GEAF	
CC(=O)c1ccc(Nc2cccc3c2C(=O)N([C@H]2CCC(=O)NC2=O)C3=O)cc1	169322240	YSPZBSWXTQDLJG-INIZCTEOSA-N	391.383	2.034	0	1	GEAF	
CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](Nc2ncc(C)cc2N)[C@H]1NC(C)=O	1857548191	HVKQPFPWJDPDAI-RCCFBDPRSA-N	390.484	2.246	0	1	GEAF	
O[C@@H]1[C@@H](OCc2cccnc2)C=C2CCN3Cc4cc5c(cc4[C@H]1[C@@H]23)OCO5	103269012	GIZSQZXSXDWAEM-FNAHDJPLSA-N	378.428	2.368	0	1	GEAF	
Cc1cc(CN2CCC[C@@H]2CNc2cc3nc(-c4ccco4)nn3c(N)n2)no1	28387667	GHSHDMFZFOJLKD-CQSZACIVSA-N	394.439	2.339	0	1	GEAF	
CNC(=O)[C@@H](CO)NCc1ccc(OCc2ccccc2C(F)(F)F)cc1	27653523	PIIXJGUQZBHCSC-QGZVFWFLSA-N	382.382	2.481	0	1	GEAF	
COC(=O)C1=CO[C@@H](C)[C@@H]2CN3CC[C@@]4(C(=O)Nc5ccc(OC)cc54)[C@@H]3C[C@H]12	116773939	HSEWZVYXOFZIMV-IHGKUHQXSA-N	398.459	2.071	0	1	GEAF	
CC(C)(CCc1ccc(O)cc1)NC[C@@H](O)c1cc(O)cc2c1OCC(=O)N2	1911577511	IIRBASQAPZODAU-GOSISDBHSA-N	386.448	2.463	0	1	GEAF	
COc1cc(C[C@H](CO)[C@H](CO)Cc2ccc3c(c2)OCO3)cc2c1OCO2	13480442	IUWDYVPWRWCWQD-JKSUJKDBSA-N	388.416	2.155	0	1	GEAF	biogenic
O=C(c1ncccc1-n1nccn1)N1[C@H]2CC[C@H]1[C@@H](COc1ccccn1)C2	226064240	UDZQGFXBOQDJAU-PMPSAXMXSA-N	376.420	2.129	0	1	GEAF	
CO[C@H]1OC[C@]2(O)[C@H](O)CC[C@H]3[C@](C)(CCC4=CC(=O)OC4)[C@@H](C)CC[C@@]132	238781785	HUBVLTQWEFIATI-HIIKUUSRSA-N	380.481	2.177	0	1	GEAF	
C[C@@H]1CC[C@@]2(O)[C@@]13CC(=O)[C@@]1(C)[C@@](OC(=O)c4ccccc4)(OC[C@]21C)[C@@H]3O	257389516	BRRTVYWNYBLCAX-JFZPNUEKSA-N	386.444	2.077	0	1	GEAF	
COC(=O)C(=O)C[C@@]1(c2ccccc2OC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	587444178	SOGCZDKUCYKAGZ-QRQCRPRQSA-N	396.395	2.479	0	1	GEAF	
Nc1nccc2nc(CS(=O)(=O)Nc3ccc(N4CCCCC4)cc3)[nH]c12	586950651	IYXMBEMGBMECJQ-UHFFFAOYSA-N	386.481	2.472	0	1	GEAF	
COc1cc(OC)c2c(c1)C(=O)O[C@@H]2c1coc(C[C@H](C)OC(C)=O)cc1=O	14828368	DFDYHSDDWXQPEL-APBUJDDRSA-N	388.372	2.411	0	1	GEAF	biogenic
C[C@H]1C[C@H](C)CN(C(=O)CCS(=O)(=O)c2ccc3c(c2)NC(=O)CS3)C1	6893444	NSPOUXUTKWVSGZ-STQMWFEESA-N	396.534	2.399	0	3	GEAF	
O=C(Nc1ccccc1)NC1CCN(C[C@@H](O)[C@H]2COc3ccccc3O2)CC1	27995177	YPADFKNTEDLJBH-WIYYLYMNSA-N	397.475	2.473	0	1	GEAF	
CC(C)(CC(=O)NC1CC1)CC(=O)NC1[C@H]2CC3C[C@H]1CC(C(=O)O)(C3)C2	101272415	AOPXWZBVYOUGAH-XFNGAMCFSA-N	376.497	2.467	0	1	GEAF	
CCCCc1nc(Cl)c(Cc2nnn[nH]2)n1Cc1ccc(-c2nnn[nH]2)cc1	28759917	LHVLUYMOMISGJJ-UHFFFAOYSA-N	398.862	2.211	0	1	GEAF	
CC[C@@H](C)N1CCN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3CC)CC1	26822742	DXQYVPZBKJTZFG-GFCCVEGCSA-N	376.432	2.174	0	1	GEAF	
COc1cc2c(cc1O)[C@H](c1cc(OC)c(O)c(OC)c1)[C@@H](CO)[C@@H](CO)C2	15270980	JUJIQKRWLCSYQD-AFBRZQFHSA-N	390.432	2.029	0	1	GEAF	biogenic
CCc1nc(C(=O)N2CCC[C@H](C(=O)NCCCN3CCCC3)C2)cs1	82069514	ZJVGQSGYWBOOEY-HNNXBMFYSA-N	378.542	2.160	0	1	GEAF	
CCCNC(=O)N[C@@H]1CC[C@H](CCn2cc(C3CCCCC3)nn2)O[C@H]1CO	95903203	DEXIUYVPHBRLOT-LMMKCTJWSA-N	393.532	2.334	0	1	GEAF	
O=S(=O)(NC[C@@H]1[C@H](c2ccccc2)[C@@H](CO)N1CC1CC1)c1ccccc1	95895684	DZQWNXDWAYARHT-NJYVYQBISA-N	386.517	2.204	0	1	GEAF	
O=C1N[C@@]2(C[C@H]3CC[C@H]2C3)C(=O)N1S(=O)(=O)c1ccc(Br)cc1	299844843	YCVAWGNSWGLQHV-AMJWSMQMSA-N	399.266	2.248	0	1	GEAF	
CN1CCN(CCC(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)CC1	587661529	QAHISMSWQBFVHX-UHFFFAOYSA-N	394.450	2.480	0	1	GEAF	
O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2nc([C@@H](O)[C@H](O)CO)[nH]c12	586889334	KPTKLIGCPLBLRS-HIFRSBDPSA-N	395.337	2.221	0	1	GEAF	
Nc1cc2nc([C@@H](N)Cc3ccc(I)cc3)[nH]c2cn1	587185878	OTLWOGWYLMNKIL-JTQLQIEISA-N	379.205	2.387	0	1	GEAF	
O=C(N[C@@H](Cc1nc2cc3nc(O)[nH]c3cc2[nH]1)C(=O)O)OCc1ccccc1	587206071	KFILKIQCYMVOAE-HNNXBMFYSA-N	395.375	2.067	0	1	GEAF	
Nc1cc(-c2nc3cc(I)cnc3[nH]2)ccc1CC(=O)O	587250665	VVRYYMTZKFPYGM-UHFFFAOYSA-N	394.172	2.439	0	1	GEAF	
CC1(C)COC(c2cccc(-n3c(O)cc([C@H](CC(=O)O)C(=O)O)c3O)c2)=N1	587934159	BPVNIXPAAPVWSS-ZDUSSCGKSA-N	388.376	2.087	0	1	GEAF	
COc1ccccc1[C@@]1(CC2OCCO2)N[C@H](C(=O)O)Cc2cc(F)ccc21	962909269	WOKHIVSGZMHXQA-UWJYYQICSA-N	387.407	2.440	0	1	GEAF	
CNc1nc(Nc2ccc(-c3cnco3)c(OC)c2)nc(N2CCC[C@@H]2CO)n1	13445192	FENBVYAJWRZBIW-CYBMUJFWSA-N	397.439	2.282	0	1	GEAF	
CN(C[C@@H]1CCCO1)S(=O)(=O)c1ccc(C(=O)NCc2ccccc2)cc1	4325618	KYMMFQQCDXUDEV-SFHVURJKSA-N	388.489	2.416	0	3	GEAF	
O=C(NN1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@@H]43)[C@H]2C1=O)c1ccc(C(F)(F)F)cc1	101073191	CSKDFZIMJXRJGH-JRULLXGZSA-N	376.334	2.403	0	1	GEAF	
C[C@@H]1CC[C@@]2(O)[C@]13CC(=O)[C@]1(C)[C@](OC(=O)c4ccccc4)(OC[C@]21C)[C@@H]3O	101623296	BRRTVYWNYBLCAX-SMWISZJMSA-N	386.444	2.077	0	1	GEAF	
CC(=O)O[C@@H]1C[C@H](CO)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]21	2356431343	MMJWMAXYKPRTQH-URHDZVKPSA-N	378.465	2.142	0	1	GEAF	
CC(C)C(=O)O[C@@H]1C[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@H]1N2C	2356496248	GVILSBKQFFAYSA-RHQZKXFESA-N	375.465	2.109	0	1	GEAF	
O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccncc1)C1CCNCC1	96931975	VOYNZVXEMQIHQJ-FQEVSTJZSA-N	391.475	2.229	0	1	GEAF	
O=c1nc(OC[C@@H]2COCCO2)cc2n1CCc1cc(OCC3CC3)ccc1-2	142921652	XFWPJCXTBXFACX-KRWDZBQOSA-N	384.432	2.049	0	1	GEAF	
COc1cc2c(cc1OC)-c1c(OCO)c(OCO)cc3c1[C@H](C2)N(C)CC3	95486345	UQTAUJNPDCIUPD-HNNXBMFYSA-N	387.432	2.113	0	1	GEAF	biogenic,in-vitro
CS(=O)(=O)N1CCCCN2[C@@H](CO)[C@H](c3ccc(C4=CCCC4)cc3)[C@@H]2C1	95874369	OWYGSFSXNSOHTM-PCCBWWKXSA-N	390.549	2.438	0	1	GEAF	
O=c1c2c(ncn2CCc2ccccc2)n(CCCc2ccccc2)c(=O)n1O	473092127	ZWLOFVLXNOZKNG-UHFFFAOYSA-N	390.443	2.473	0	1	GEAF	
C[C@@H](C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1)N1C(=O)C[C@@H](C)C1=O	653780483	NOTXGHKIODSVCM-OLZOCXBDSA-N	397.397	2.138	0	1	GEAF	
COc1ccc(S(=O)(=O)N[C@@H](c2nc3cncc(Cl)c3[nH]2)[C@@H](C)O)cc1	586938304	QAKROWGEIOKDNR-YMTOWFKASA-N	396.856	2.020	0	1	GEAF	
F[C@H]1CN(Cc2ccc3c(c2)OCCO3)C[C@H]1OCc1nc2cccnc2[nH]1	2356302039	KMABUUNEMHFZJJ-KBXCAEBGSA-N	384.411	2.468	0	1	GEAF	
CN(CCc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1)C1CCCCC1	26752839	NWWUDKFTGKIAAV-UHFFFAOYSA-N	388.555	2.219	0	1	GEAF	
O=C(Nc1ccn(CCCNC[C@@H]2CCCO2)c(=O)n1)OCc1ccccc1	61936090	LTBRFUWZEHSCJY-KRWDZBQOSA-N	386.452	2.151	0	3	GEAF	
Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(O)(Cc2ccc(Cl)cc2)CC1	207097822	OPENZPZRINRZHE-UHFFFAOYSA-N	383.901	2.438	0	1	GEAF	
COC(=O)[C@H](C)[C@@H]1CC[C@](C)(O)[C@H](O)CCC(C)=CCC[C@](C)(O)[C@H](O)C1	2356687355	MSLVWANTCSFXCQ-TWYNJABESA-N	386.529	2.326	0	1	GEAF	
C[C@H](Oc1cccc2cccnc12)C(=O)NC[C@@H](O)CN1Cc2ccccc2C1	217092536	MFLPZXZETDMETA-OXJNMPFZSA-N	391.471	2.495	0	1	GEAF	
COc1cc(C(=O)N2CCn3c(-c4nc(C)ns4)nnc3[C@H]2C)ccc1F	218887920	DQMSMVVVIQFBKB-SECBINFHSA-N	388.428	2.470	0	1	GEAF	
CC(C)(CCc1cccc(O)c1)NC[C@H](O)c1cc(O)cc2c1OCC(=O)N2	1911571886	CTLSGLQXWOAPPK-SFHVURJKSA-N	386.448	2.463	0	1	GEAF	
C=Cc1cncc(-c2cc3c(cn2)cnn3-c2cccc(N3CCNCC3)n2)n1	211024679	FFBXBFZMXQAJBH-UHFFFAOYSA-N	384.447	2.325	0	1	GEAF	
CCN(CCNc1cc2c(cc1N)c(=O)c(C(=O)O)cn2C)c1ccccn1	40860703	LKFWOZMGAJGVBT-UHFFFAOYSA-N	381.436	2.152	0	1	GEAF	
C[C@H]1Cn2cc(-c3c(F)cc4c5c3OC[C@H](C)N5C[C@H](C(=O)O)C4=O)cc2CN1	45253444	BQSNEENMYCZLOF-PGUXBMHVSA-N	399.422	2.270	0	1	GEAF	
NS(=O)(=O)c1cc(F)ccc1NS(=O)(=O)CCc1ccc(Cl)cc1	143922413	JQIOOEILFNIXIL-UHFFFAOYSA-N	392.861	2.111	0	1	GEAF	
CC1CCN(S(=O)(=O)N2CCC[C@H](C(=O)N[C@@H]3CCCC[C@H]3C)C2)CC1	247815407	CLLHEFHZMWYOCX-FGTMMUONSA-N	385.574	2.370	0	1	GEAF	
COC(=O)Cn1cc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nn1	587581194	KSVNBYIVLLCSAK-FXAWDEMLSA-N	395.371	2.034	0	1	GEAF	
CCOC(=O)[C@H]1CS(=O)(=O)CC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3	587530310	FESLCXAKBGWZSY-UZLBHIALSA-N	392.473	2.267	0	1	GEAF	
CN(C)S(=O)(=O)c1cccc2nc(CCn3ccc(C(F)(F)F)n3)[nH]c12	587119558	ZIRJAENIGRGWCH-UHFFFAOYSA-N	387.387	2.271	0	1	GEAF	
CS(=O)(=O)Nc1ccc(-c2csc(CC(=S)N3CCOCC3)n2)cc1	16940432	GOYBKDNXSDYCEN-UHFFFAOYSA-N	397.547	2.384	0	1	GEAF	
O=c1n(CCCCNC[C@@H]2CCc3ccccc3O2)c(O)c2n1SCC2	169725342	NPGJSXDYSSLKJT-HNNXBMFYSA-N	375.494	2.171	0	1	GEAF	
C[C@@H]1N[C@@H](c2ccccn2)NC(=O)[C@@H]1CC(=O)NCC1(c2ccccc2)CC1	208985925	UZXWMJJBUIDSNU-XAUMDUMWSA-N	378.476	2.042	0	1	GEAF	
NCc1cc(OCc2cccc(C(=O)NCc3ccnc(Cl)c3)c2)ncn1	1857544780	VEQUPNFKDXVMGA-UHFFFAOYSA-N	383.839	2.493	0	1	GEAF	
COc1ccc(C(=O)OCc2ccc3nc(N)nc(N)c3c2)c(OC)c1OC	3814845	NOYMHRHEOMACPO-UHFFFAOYSA-N	384.392	2.177	0	1	GEAF	
C[C@H](NC(=O)C1CCCCC1)C(=O)SC[C@H](C)C(=O)N1CCC[C@@H]1C(=O)O	3831155	QIJLJZOGPPQCOG-KCQAQPDRSA-N	398.525	2.043	0	1	GEAF	
O=C(NCc1ccco1)[C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O	7999850	VWNCTUPXYXYUEH-DLRXZHIHSA-N	390.439	2.314	0	1	GEAF	
COc1ccc([C@@H]2C[C@H](O)[C@@H](O)[C@@H]2NC(=O)Cc2ccc(Cl)cc2)cc1	2356286944	UEEBETVTTUHWNM-RAUXBKROSA-N	375.852	2.285	0	1	GEAF	
CNC(=O)/C=C1/COc2cc(OS(=O)(=O)c3ccc(C(C)=O)cc3)ccc21	101662744	QAJSZKBPVBYFRA-ZROIWOOFSA-N	387.413	2.179	0	1	GEAF	
C[C@]1(C(=O)NS(=O)(=O)c2cccc(Cl)c2)CCN1C(=O)c1ccccc1	61907388	KSRJVMLVZUREMU-GOSISDBHSA-N	392.864	2.450	0	3	GEAF	
CC(=O)N1CCCN(C(=O)c2c(-c3ccc(F)cc3)noc2[C@@H](C)O)CC1	2356742678	SFMWPZDFJNXIOX-GFCCVEGCSA-N	375.400	2.228	0	1	GEAF	
O=C(NCCCC(=O)N1CCC[C@H]1C(=O)O)NC12CC3CC(CC(C3)C1)C2	40577077	XWASDJAVTMCGMG-OCABNYQQSA-N	377.485	2.110	0	1	GEAF	
CCN(Cc1ccc(Cl)nc1)C1=C([N+](=O)[O-])[C@H](OC(C)C)[C@](C)(O)N1C	299848619	MXBKUBZVMVRHIU-RDJZCZTQSA-N	384.864	2.450	0	1	GEAF	
NS(=O)(=O)Cc1ccc(-c2nc3c(Br)ncc(F)c3[nH]2)cc1	586930220	OFMURVJDPVCCCC-UHFFFAOYSA-N	385.218	2.315	0	1	GEAF	
C[C@@H]1CC(O)=C(C(=O)NCC(=O)O)C(=O)N1Cc1ccc(-c2ccccc2)cc1	1857638268	HJHXQTOAQZMTEL-CQSZACIVSA-N	394.427	2.487	0	1	GEAF	
Cc1c(C(=O)N2CCCCC2)oc2ccc(S(=O)(=O)N3CCOCC3)cc12	2459892	FSJZVAZNHZLBRO-UHFFFAOYSA-N	392.477	2.388	0	1	GEAF	
Cc1noc(C)c1Cn1cc(N2C(=O)[C@@H]3Cc4ccc(O)cc4CN3C2=O)cn1	115733735	GKWMOIYKDBXPST-SFHVURJKSA-N	393.403	2.135	0	1	GEAF	
Cn1cncc1C(=O)N[C@H]1CCN(c2ccnc(Nc3ccc(F)cc3)n2)C1	45168709	BWBLNSBBAPSFOJ-HNNXBMFYSA-N	381.415	2.102	0	1	GEAF	
O=C(NC[C@H]1CCCO1)[C@H]1CCCN1c1nc(-c2cc(O)cc(O)c2)cs1	82194780	VVPASIIKXCDUJU-NVXWUHKLSA-N	389.477	2.485	0	1	GEAF	
FC(F)(F)Cn1cc(-c2cnc3nnn(Cc4ccn5nccc5c4)c3n2)cn1	144190340	ACOZYEDLBCELKS-UHFFFAOYSA-N	399.340	2.343	0	1	GEAF	
Nc1ncc(CNC(=O)Nc2ccc(S(=O)(=O)c3ccccc3)cc2)cn1	96271692	SDZZPZQDXLNGGX-UHFFFAOYSA-N	383.433	2.213	0	1	GEAF	
COc1cccc2cc3c(nc12)[C@](C)(c1ccc(-[n+]2cc(=O)o[nH]2)cc1)NCC3	963052964	HRNDYYMROCUMOH-QFIPXVFZSA-O	389.435	2.211	0	1	GEAF	
CCn1c(/C=C/c2cccc(Br)c2)nc2c1c(=O)n(C)c(=O)n2C	169699045	XTWVCRIANOVOMR-CMDGGOBGSA-N	389.253	2.387	0	1	GEAF	
NS(=O)(=O)c1cc(C(=O)NC2CCCCC2)c(SCCO)cc1Cl	1857564374	UYZHGPXBEKLXKD-UHFFFAOYSA-N	392.930	2.134	0	1	GEAF	
CNC(=O)c1c(O)c2c(c3c1O[C@@H]1OCCC[C@@H]1C3)O[C@@H]1OCCC[C@@H]1C2	1857746260	GSOHGZIAVKHCRE-HPUVFHFKSA-N	375.421	2.127	0	1	GEAF	
CN(CCc1cnn(-c2cc(C(=O)NC#N)ccn2)c1)Cc1ccc(F)cc1	146938710	QXPNFUDMDNCVJO-UHFFFAOYSA-N	378.411	2.292	0	1	GEAF	
Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2CC(=O)NCCc1ccccc1	6916405	DBBVKTVDFLXUJY-UHFFFAOYSA-N	392.381	2.421	0	1	GEAF	
CN1CCCCC[C@H]1C(=O)N1CCOc2ccc(CN3CCOCC3)cc2C1	12133706	NZYQYWLAYKRKMB-FQEVSTJZSA-N	387.524	2.114	0	1	GEAF	
COc1ccc(N2C(=O)[C@@H]3C[C@H](NC(=O)Cc4cccs4)CCN3C2=O)cc1	25199391	CYVKYJDMSNRHIS-DYVFJYSZSA-N	399.472	2.415	0	1	GEAF	biogenic
CCc1cc(Nc2cc(=O)n(CCCCN3CCOCC3)c(=O)[nH]2)ccc1C	26646765	DSELCPHPUDWNFV-UHFFFAOYSA-N	386.496	2.263	0	1	GEAF	
CN(C)c1ccc(C(=O)OC[C@]2(CO)C/C(=C\c3cccnc3)C(=O)O2)cc1	45498550	NWJCYPGKSMWHKD-AKCCUMBPSA-N	382.416	2.066	0	1	GEAF	
O[C@H]1[C@@H](O)CS[C@H]1n1cnc2c(NCc3cccc(Cl)c3)ncnc21	202795155	CKXSTCOOOXXOLA-DETPVDSQSA-N	377.857	2.059	0	1	GEAF	
COCc1ccc(N2CCC(OC(=O)N3CCN(C(C)C)CC3)CC2)cn1	223519235	HQEUVVILQLOFBT-UHFFFAOYSA-N	376.501	2.359	0	1	GEAF	
NC1=N[C@@](CF)(c2cc(NC(=O)c3ccc(Cl)cn3)cnc2F)[C@@H]2C[C@@H]2O1	226061697	MRMRNMPCHKBUAA-ANTHHZPCSA-N	393.781	2.420	0	1	GEAF	
COC(=O)c1cc2nc(CNS(=O)(=O)/C=C\c3ccc(C)cc3)[nH]c2cn1	586941147	OSGIOCIORSVMLW-FPLPWBNLSA-N	386.433	2.143	0	1	GEAF	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(COP(=O)(O)O)cnc(C)c1O)O2	587407492	IRDDPKCFXHPWAV-CQSZACIVSA-N	394.320	2.302	0	1	GEAF	
Cc1ncc(COP(=O)(O)O)c([C@@H]2NCCc3ccc(F)c(C)c32)c1O	962378804	UPFIIGBIDZARNV-MRXNPFEDSA-N	382.328	2.388	0	1	GEAF	
Cc1noc(C)c1CO[C@@H]1CC(=O)Nc2c1c(C)nn2-c1ncnc2[nH]cnc12	1772635743	RWVFOICWOTZSKO-GFCCVEGCSA-N	394.395	2.052	0	1	GEAF	
CC=C1CN(C)CC[C@@]23C(=O)C[C@H]1[C@@H]1CO[C@H](OC)C(=O)N(c4ccccc42)[C@H]13	2356636566	MHRUSPYZNNVVHC-DOAGQGEYSA-N	396.487	2.129	0	1	GEAF	
CC(C)S(=O)(=O)N1CC[C@@H](CC(=O)O)[C@H](Cc2nc3ccccc3[nH]2)C1	2356657319	BCBPDAWUNJLLID-UONOGXRCSA-N	379.482	2.256	0	1	GEAF	
CCOCCCNC(=O)[C@H]1c2cc(OC)c(OC)cc2C(=O)N2CCCC[C@@H]12	4563943	ASGQLHRVGCFUGN-LPHOPBHVSA-N	390.480	2.339	0	3	GEAF	
Cc1ccc(C(=O)COC(=O)CCN2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@@H]3C2=O)cc1C	4592925	LPSKHTNXPJIQNP-JSJNYSNDSA-N	383.444	2.451	0	1	GEAF	
CCCc1occ(C(=O)c2c(OC)cc(OC)cc2C(=O)OC)c(=O)c1O	2356284081	NBJZTJDGIFNUHX-UHFFFAOYSA-N	376.361	2.333	0	1	GEAF	
O=C(NCc1ccccc1)[C@H]1[C@@H]2C=C[C@]3(CN(Cc4cccs4)C(=O)[C@H]13)O2	101242294	IILVDRCTCCJXCW-RYLXDESZSA-N	380.469	2.347	0	1	GEAF	
CC(C)(C)OC(=O)n1cc(C[C@H]2NC(=O)[C@@H]3CCCN3C2=O)c2ccccc21	2356430658	YMBWWWKPLURITN-WBVHZDCISA-N	383.448	2.456	0	1	GEAF	
CCOC(=O)C1=Cc2c(nc3ccc(C)cn3c2=O)N(Cc2ccccc2)[C]1N	2356837459	BWBWLBVEAMCVDT-UHFFFAOYSA-N	389.435	2.418	0	1	GEAF	
Cn1c(=O)c(C2=C[C@H](c3ccccc3O)NNC(=S)N2)c(O)c2ccccc21	3846550	YFXDSVGZJBPXFL-CYBMUJFWSA-N	394.456	2.014	0	1	GEAF	biogenic
COC(=O)[C@H](CC(C)C)NC(=O)N[C@@H](CCc1c[nH]c2ccccc12)C(=O)O	45389418	DYCBJYJYSYEDMD-IRXDYDNUSA-N	389.452	2.441	0	1	GEAF	
COc1cc2nc(N3CCCC3)nc(N[C@@H]3CCCCNC3=O)c2cc1OC	82130067	JOJQWUPOPWZHEL-CQSZACIVSA-N	385.468	2.328	0	1	GEAF	
COc1ccc(S(=O)(=O)c2nc3ccccc3nc2N2CCC[C@H](O)C2)cc1	84586671	ZYDPLPUAELXVCQ-AWEZNQCLSA-N	399.472	2.432	0	1	GEAF	
COc1cncc(-c2nnc3c(C)nc4ccc(CN5CCOCC5)cc4n23)c1	149289418	MUTVZBOSDNBOEV-UHFFFAOYSA-N	390.447	2.489	0	1	GEAF	
O=C(Nc1ccccc1F)N[C@H]1CC[C@@H](CCNC(=O)C2CCC2)O[C@@H]1CO	95903907	SNFIVQMNSFUFJY-JCGIZDLHSA-N	393.459	2.162	0	1	GEAF	
C[C@@H](NC(=O)C1(N)CCN(c2ncnc3[nH]ccc23)CC1)c1ccc(F)cc1	95582867	NYQLHIXUWWCSBD-CYBMUJFWSA-N	382.443	2.272	0	1	GEAF	
CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN[C@H](C)CO2	95688780	NSJHBAKZFARZIY-PMUMKWKESA-N	377.485	2.129	0	1	GEAF	
COc1cncc2nc(CCC(=O)Nc3nnc(-c4ccncc4)s3)[nH]c12	587023832	JRPCLMQJJUXQRA-UHFFFAOYSA-N	381.421	2.451	0	1	GEAF	
COC(=O)Nc1ccc(-c2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)cn1	587245450	SJUNNDVOZLYOGX-UHFFFAOYSA-N	375.410	2.054	0	1	GEAF	
Cn1nc(C(=O)O)c(I)c1-c1nc2cc(F)ccc2[nH]1	587179826	HBXJGJLDDZRKTH-UHFFFAOYSA-N	386.124	2.405	0	1	GEAF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@H]3[C@H]2CN[C@H]3C(=O)O)N1	587799484	XJLLHPIFWOALIK-GYRXJBOMSA-N	383.261	2.400	0	1	GEAF	
CNC1=C[C@]2(C(Cl)=NN1C)c1ccccc1C[C@@]1(C3CCC3)C(=O)NC(=O)N21	962640330	OBTUEGJHLAACPD-WOJBJXKFSA-N	399.882	2.087	0	1	GEAF	
COC(=O)C(=O)C[C@]1(c2cccnc2)NCCc2cc3cccc(OC)c3nc21	963049886	BRDFXYNLUVFFPP-JOCHJYFZSA-N	391.427	2.160	0	1	GEAF	
CC1(C)Oc2cc(O)ccc2[C@H]2[C@H]1CCn1c(=O)n(-c3ccccc3)c(=O)n12	1772575739	TZFMTPABAWISGW-AEFFLSMTSA-N	379.416	2.287	0	1	GEAF	
COCCCNC(=O)c1cc2c(N)cccc2n(Cc2ccc(OC)cc2)c1=O	1772588414	OGRLVWVMVYSOKV-UHFFFAOYSA-N	395.459	2.407	0	1	GEAF	
Cc1[nH]c(=O)nc(S)c1C(=O)NC1[C@H]2CCCC[C@@H]2N[C@@H]2CCCC[C@H]12	5503796	ABTZKNNKLUKWHH-JYMWAKCPSA-N	376.526	2.186	0	1	GEAF	
O=C1C=C[C@H](OC(=O)/C=C/c2ccccc2)[C@H]([C@H](O)[C@H](O)c2ccccc2)O1	15262765	GWFOGXDMANDIHC-VTWBULIDSA-N	380.396	2.188	0	1	GEAF	
C[C@@H](OC(=O)[C@@H](C)N1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@@H]2C1=O)[C@@H]1C[C@H]31)C(=O)c1ccccc1	169295208	PJEWTIDBYNHYEL-CQWCDLIRSA-N	393.439	2.243	0	1	GEAF	
NCc1ccc(-c2ccc(N3C[C@H](Cn4nncc4CO)OC3=O)cc2F)cc1	1857755346	RMZBBWAYEXVFSJ-QGZVFWFLSA-N	397.410	2.061	0	1	GEAF	
CCCS(=O)(=O)N1CCC(C(=O)NCCN(CC)c2ccccc2)CC1	4057259	BPYIZDAKXDABEW-UHFFFAOYSA-N	381.542	2.081	0	3	GEAF	
O=C1CC[C@@H](CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccc(F)cc2)N1	103239939	PZTBVDSPNFPIQE-INIZCTEOSA-N	380.416	2.434	0	1	GEAF	
CC(=O)NCCCCNC(=O)c1[nH]cc(C(=O)O[C@H]2C[C@@H]3CC[C@@H]2C3)c1C	101092388	GKVZLYPVWDZDLN-INMHGKMJSA-N	375.469	2.315	0	1	GEAF	
COc1ccc(CN2C(=O)CO[C@@H]3CN(Cc4ccc5c(c4)OCO5)C[C@@H]32)cc1	2356286272	GAACPTWXOHNSOE-GHTZIAJQSA-N	396.443	2.036	0	1	GEAF	
Cc1nc2nc(C)c(NS(=O)(=O)c3ccc(CC(C)C)cc3)c(=O)n2[nH]1	103820692	CSNBUBOCDVOAHZ-UHFFFAOYSA-N	375.454	2.034	0	3	GEAF	
Cc1nc2ccn(Cc3cccs3)c(=O)c2cc1C(=O)N1CCN(C)CC1	20603370	ZWDHTOBAGPHQFU-UHFFFAOYSA-N	382.489	2.202	0	1	GEAF	
Cn1cc(-c2ccc(Cn3cc(C(=O)O)c(=O)c4c3CCC[C@@H]4O)cc2)cn1	49069286	SKYMJGOQOIAXMW-SFHVURJKSA-N	379.416	2.365	0	1	GEAF	
Cc1c(C[C@H](C)C(=O)NC2=C(C(=O)O)CCCC2)cnn1-c1ccc(O)cn1	49034781	PDENJILFWPCWQR-LBPRGKRZSA-N	384.436	2.489	0	1	GEAF	
CC(C)NC(=O)N1[C@H](CN(C)C(=O)c2ccncc2)[C@@H](c2ccccc2)[C@@H]1CO	95895316	KPHVTGIVUOUIIJ-HSALFYBXSA-N	396.491	2.101	0	1	GEAF	
O=C(O)c1ccnc(-c2cn(C3CN(C(=O)CCc4ccccc4)C3)nn2)c1	473135177	GJHLWPKIIBGQEY-UHFFFAOYSA-N	377.404	2.054	0	1	GEAF	
O=S(=O)(NCc1nc2cc3nc(O)[nH]c3cc2[nH]1)c1ccc(F)c(F)c1F	587135473	CIRXAEBABQTHKH-UHFFFAOYSA-N	397.338	2.041	0	1	GEAF	
COc1cc2c3c(c1)O[C@]1(CN(Cc4ccccc4)C[C@H]1C(=O)O)[C@@H](C2)C3=O	587438711	QRODMCUBSZITHQ-PNLZDCPESA-N	379.412	2.398	0	1	GEAF	
CCOC(=O)[C@]1(c2csc(NC=O)n2)CC(=O)c2cc(C)cc(N)c2O1	587415277	ZDBRJMHQUXYMIB-QGZVFWFLSA-N	375.406	2.026	0	1	GEAF	
Cc1ccc(NC(=O)[C@H]2[C@@H]3C(=O)N(Cc4cccnc4)C[C@]34C=C[C@H]2O4)cc1F	13131924	MHLHARLAZLJYDT-JPAWQOSXSA-N	393.418	2.450	0	1	GEAF	
COc1cc2c(c(OC)c1OC)CCCN1CCC3=C[C@H](O)[C@@H](OC)C[C@]321	14929836	FVKSQSNYASVPRU-MDKPJZGXSA-N	375.465	2.266	0	1	GEAF	biogenic
COc1ccc2cncc(Cc3nc4c([nH]3)c(=O)n(C)c(=O)n4CC(C)C)c2c1	593196	NMTKJEZOWHRAQY-UHFFFAOYSA-N	393.447	2.227	0	1	GEAF	
C[C@@H]1CN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)CCN1O	26650615	QGLRKZDQDCLYBE-SECBINFHSA-N	379.363	2.213	0	1	GEAF	
CSCCCNC(=O)C[C@H]1C(=O)NCCN1Cc1c(F)cccc1Cl	55099976	ITSJHXGRUPHQGH-HNNXBMFYSA-N	387.908	2.039	0	1	GEAF	
COc1cccc(CN2Cc3c([nH]c4cc(-c5ccco5)nn4c3=O)C2=O)c1	101488170	WAIBKSAXYURYIA-UHFFFAOYSA-N	376.372	2.447	0	1	GEAF	
COc1ccc(/C=c2/s/c(=C\C(=O)c3ccc(C)cc3)[nH]c2=O)c(OC)c1	100512873	IYFCEXUDZMHBDM-YMDFJMCLSA-N	381.453	2.254	0	1	GEAF	
COc1ccc(C[C@@H](NC=O)C(=O)Cc2cc(OC)c(OC)c(OC)c2)cc1	2356643128	ISLZSBCNTPPXAF-QGZVFWFLSA-N	387.432	2.190	0	1	GEAF	
Cc1nc2ccc(N3CC[C@H](c4cc(F)c(F)cc4F)[C@@H](N)C3)nc2c(=O)[nH]1	28707359	YLMDGOIMFQBENG-BMIGLBTASA-N	389.381	2.365	0	1	GEAF	
CC(C)=CC(=O)/N=c1/[nH]c2c([nH]1)C(C)c1[nH]/c(=N\C(=O)C=C(C)C)[nH]c1CC2	14887717	CHNPTBHUXVPMAL-UHFFFAOYSA-N	382.468	2.036	0	1	GEAF	biogenic
CC(C)Oc1ccc2[nH]nc(-c3cc(N4CC(n5cnnc5)C4)ncn3)c2c1	225573453	YUZLTPJHQWCWOZ-UHFFFAOYSA-N	376.424	2.460	0	1	GEAF	
CC(C)NC(=O)NC[C@H]1[C@H](c2ccccc2)[C@H](CO)N1C(=O)c1ccccc1	95895674	UFHYJCTUNFGQLC-UFYCRDLUSA-N	381.476	2.363	0	1	GEAF	
CC(=O)N1CCC[C@@H](c2cccnc2OC2CN(C(=O)c3ccc(C)nc3)C2)C1	96168924	YQTJBYMARMXBEN-GOSISDBHSA-N	394.475	2.414	0	1	GEAF	
CCS(=O)(=O)N(C)C[C@@H]1N[C@H](CO)[C@@H]1c1ccc(C2=CCCCC2)cc1	95871909	VSGINIVJXXZJNC-XUVXKRRUSA-N	378.538	2.342	0	1	GEAF	
NS(=O)(=O)c1ccc(CN2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1	96905483	LQCOMFWTPKKPBD-UHFFFAOYSA-N	385.228	2.437	0	1	GEAF	
CCN(C[C@H]1N[C@H](CO)[C@@H]1c1ccc(-c2ccc(F)cc2)cc1)C(=O)COC	95895739	JTUOZIKDJHIQCB-KCZVDYSFSA-N	386.467	2.404	0	1	GEAF	
Cc1cc2c(cc1O)[C@@](C)(c1ccc(N3C(=O)CCC3=O)cc1)N[C@H](C(=O)O)C2	963513257	ZVQZFVCIGHNBMT-HTAPYJJXSA-N	394.427	2.216	0	1	GEAF	
NC(=O)Cn1cc([C@@H]2c3ccsc3CCN2C(N)=O)c(-c2ccccc2)n1	962715429	RSORADTWGOVOCC-SFHVURJKSA-N	381.461	2.123	0	1	GEAF	
CS(=O)(=O)Nc1ccc([C@]2(O)CSC(=S)N2Cc2cccnc2)cc1	1857745768	PIUSCNRINLEQBC-MRXNPFEDSA-N	395.531	2.132	0	1	GEAF	
C[C@@H]1CCC[C@@H](C)C1OC(=O)[C@H](NC(=O)[C@@H](N)CC(=O)O)c1ccccc1	26004253	GKBCQEIQIMXSPJ-LNCBFAARSA-N	376.453	2.014	0	1	GEAF	
COC(=O)[C@@]1(C)CCC[C@@]2(C)[C@@H]1CC[C@](O)(CO)[C@@H]2CCC1=CCOC1=O	26577545	WZJCQNSURSMOEO-LPKWFMKBSA-N	380.481	2.369	0	1	GEAF	
NC(=O)c1cccc(-c2ccnc3c2C[C@@H](C(=O)NCCC(F)(F)F)O3)c1	61908924	DXVQNFYXFQOEQZ-AWEZNQCLSA-N	379.338	2.220	0	3	GEAF	
Nc1nc(-c2ccc(P(=O)(O)O)o2)c(C(=O)OCc2ccccc2)s1	66111526	SSEXBHDKTBGKPE-UHFFFAOYSA-N	380.318	2.145	0	1	GEAF	
CN(C)[C@@H]1CCN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C(C)(C)C)C1	28765547	YIZFAZMGJJONSY-LLVKDONJSA-N	376.432	2.129	0	1	GEAF	
CN(C)C1(C)CN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C1	27415342	KCXCROGVXIKNKX-UHFFFAOYSA-N	377.391	2.453	0	1	GEAF	
COC(=O)NCCNC(=O)CO[C@@H](c1cccs1)c1cccnc1Cl	45315519	UKQZTAOVFLQQMZ-CQSZACIVSA-N	383.857	2.375	0	1	GEAF	
COc1ccc(CCNc2nc(N3CC[C@H](NC(C)=O)C3)ncc2C)cc1OC	82204290	WEIPXFPQJVUWGO-KRWDZBQOSA-N	399.495	2.172	0	1	GEAF	
CN1CCN(c2cccc(C3=C(c4c[nH]c5ccccc45)C(=O)NC3=O)c2)CC1	45321879	QMYFYCSCELQGHP-UHFFFAOYSA-N	386.455	2.487	0	1	GEAF	
COc1cccc(-c2ccc([C@H]3[C@@H](CO)N(C(C)=O)C34CN(C(C)=O)C4)cc2)c1	95666798	NBHXNKRZLKWQOZ-YADHBBJMSA-N	394.471	2.270	0	1	GEAF	
C#CCNC(=O)C[C@@H]1c2nc(C)sc2C[C@H]2[C@]1(C)CC[C@H](O)[C@@]2(C)CO	33887686	PTXLZDMWVNEGGU-NPACWLSJSA-N	376.522	2.007	0	1	GEAF	biogenic
CC(C)c1nc(C(=O)NC[C@H]2CN(C3CCOCC3)CCO2)c2ccccn12	653804976	HVNRSJACLYLTGO-KRWDZBQOSA-N	386.496	2.067	0	1	GEAF	
CC(C)(C)OC(=O)Nc1snnc1-c1nc2cc(-n3cnnn3)ccc2[nH]1	587038250	FMDLXZBVAHUPKD-UHFFFAOYSA-N	385.413	2.404	0	1	GEAF	
COC(=O)c1cc2[nH]c([C@@H](C)Sc3nc(N)cc(O)n3)nc2cc1OC	586961349	HPQKVVPTQZYIFO-SSDOTTSWSA-N	375.410	2.289	0	1	GEAF	
COc1cc2c3c(c1)O[C@@](c1ccc(Br)s1)(C(O)O)[C@@H](C2)C3=O	587448975	AATRNHBLYPWPCA-FVMDXXJSSA-N	397.246	2.473	0	1	GEAF	
Cc1ccc(-n2cnnc2SCc2nc3c(O)nc(N)nc3[nH]2)cc1Cl	586967723	DMVAFUWHBCQEGL-UHFFFAOYSA-N	388.844	2.476	0	1	GEAF	
CC(=O)[C@H](Sc1ncccn1)[C@]1(C)N[C@H](C(=O)O)Cc2cc(F)ccc21	962897317	MERQNJHRYTYMBY-RLFYNMQTSA-N	375.425	2.180	0	1	GEAF	
COc1cccc2c3c(cnc12)CCN[C@@]3(C)c1ccc(S(N)(=O)=O)cc1	963027881	AOWKNZQVUNQEPF-FQEVSTJZSA-N	383.473	2.300	0	1	GEAF	
O=C1N[C@H](C(=O)O)CCc2cn(cn2)CC=CCOc2ccc(Cl)c1c2	1857626689	ZFSWEKWDTCABOA-INIZCTEOSA-N	375.812	2.301	0	1	GEAF	
CC(C)c1nccc(C[C@H]2[C@@H](CO)[C@H](O)C[C@H]2NC2Cc3ccccc3C2)n1	2356380026	OQLGOQFQJVLDCD-DXBBTUNJSA-N	381.520	2.257	0	1	GEAF	
Cc1[nH]n(-c2ccc(S(N)(=O)=O)cc2)c(=O)c1/C=C1\C=Nc2ccccc21	135655531	BQZSDAFTSOJGHW-JLHYYAGUSA-N	380.429	2.378	0	1	GEAF	
COC(=O)CCC/C=C\C[C@H]1C(=O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)CCC[C@@H](C)O	136230531	BDWABOZEWSSNDO-LRTQPEPLSA-N	382.497	2.310	0	1	GEAF	
Cc1cc(N)nc(C[C@@H]2CNC[C@@H]2OCCN[C@@H]2C[C@H]2c2cccc(F)c2)c1	95588475	OPKCBCPSRYBLIJ-RCOXNQKVSA-N	384.499	2.404	0	1	GEAF	
Cc1cc(N)nc(C[C@@H]2CNC[C@@H]2OCCN[C@H]2C[C@H]2c2cccc(F)c2)c1	95588476	OPKCBCPSRYBLIJ-SEVLPDGMSA-N	384.499	2.404	0	1	GEAF	
O=C(NO)NCCCCNC(=O)c1nc(-c2nccs2)sc1C1CC1	653704192	LOFLAOJBVCUQIM-UHFFFAOYSA-N	381.483	2.342	0	1	GEAF	
Cc1cnc([C@H]2CCN(C(=O)OC3[C@H]4CC5C[C@H]3CC(C(N)=O)(C5)C4)C2)nc1	1772635280	CINCWJQEOIGUIU-HKXKBOTHSA-N	384.480	2.391	0	1	GEAF	
CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O	16033047	QNHVKSYVCUQPFX-RVKKMQEKSA-N	389.496	2.343	0	1	GEAF	biogenic
COc1ncnc(Cn2cc(C(=O)NCC(F)F)c3ncc(C)cc32)c1C	169353746	HAXIOICGNCICAB-UHFFFAOYSA-N	375.379	2.495	0	1	GEAF	
CCOc1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCO)cc1	4039765	XFBHBBSZHPRHAZ-TZIWHRDSSA-N	397.475	2.352	0	1	GEAF	
O=C1O[C@H](c2ccc3c(c2)OCO3)[C@H]2[C@H]1[C@H](c1ccc3c(c1)OCO3)O[C@H]2O	2356447962	KRRNYMLYOLMYMS-MTHXSQLBSA-N	384.340	2.064	0	1	GEAF	
CCOC(=O)[C@@]1(C)N[C@H](c2ccco2)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21	59338563	LYSRIABXKOSRJF-WCLQXYBISA-N	382.416	2.360	0	1	GEAF	
c1c[nH]c(CN2CCN(CCCc3c[nH]c4ccc(-n5cnnc5)cc34)CC2)n1	22939203	VIRXHPTUPCUXTR-UHFFFAOYSA-N	390.495	2.222	0	1	GEAF	
CCCCCC(=O)N1CC[C@](C)(O)[C@H](NC(=O)COC)[C@@H]1c1cccs1	2356550904	NIGIYQJEEFJFGW-OTWHNJEPSA-N	382.526	2.484	0	1	GEAF	
COc1ccc(NC(=O)c2[nH]cnc2C(=O)N[C@H](C)C(=O)OC(C)(C)C)cc1	28528298	HPBBNVBXLGIGAL-LLVKDONJSA-N	388.424	2.131	0	1	GEAF	
CNS(=O)(=O)c1cccc(Nc2nccc(-c3sc(N)nc3C)n2)c1	38252668	MPLSNQAHULTSPR-UHFFFAOYSA-N	376.467	2.142	0	1	GEAF	
CCOc1ccccc1OCCNCCCCN1C(=O)[C@@H]2CCCN2C1=O	35996628	ZUPZOKDTSGRKMD-INIZCTEOSA-N	375.469	2.261	0	1	GEAF	
COc1cc(-c2oc3cc(O)c(OC)c(O)c3c(=O)c2O)cc(O)c1OC	15271625	GACHUHJTMFLQJT-UHFFFAOYSA-N	376.317	2.308	0	1	GEAF	biogenic
COc1cc([C@@H](NC(=O)N[C@@H](CC(C)C)C(=O)OC(C)C)C(=O)O)ccc1O	45355017	YQJSQMAWGJFPNF-XJKSGUPXSA-N	396.440	2.192	0	1	GEAF	
COc1cc([C@@H](O)[C@H]2COC[C@@H]2[C@H](O)c2ccc(O)c(OC)c2)ccc1O	40848349	YHYNYYXJMLXPRQ-AFHBHXEDSA-N	376.405	2.145	0	1	GEAF	
COC(=O)[C@H]1C[C@@]23CC[C@]14N(C=O)c1ccccc1[C@]41CCN(CC[C@@H]2OC)[C@@H]13	238751484	PUPGMWNJWNCWOC-MLDIIPNJSA-N	396.487	2.106	0	1	GEAF	
O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(N[C@H](C3CCC3)C3CC3)nc(Cl)nc21	95557409	WZOIXKQLNKXZRP-ONSZXBOBSA-N	389.887	2.383	0	1	GEAF	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@@H]3CC[C@@]1(CS(N)(=O)=O)C3(C)C)O2	587408494	HBBKQHOKGWHEFO-GESALYCCSA-N	378.494	2.396	0	1	GEAF	
CC(C)(C)OC(=O)Nc1nnc(Cc2nc3ccc(CCO)cc3[nH]2)s1	587024308	UFKSOAPHCKPATE-UHFFFAOYSA-N	375.454	2.887	0	1	GEAF	
Nc1ncnc2c1ncn2[C@H]1C=C[C@@H](CO[P@](=O)(O)Oc2ccccc2)O1	5939129	NJHIDMZOPYPVEJ-QWHCGFSZSA-N	389.308	2.058	0	1	GEAF	
COC[C@H](C)NC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12	169249131	PDPJLIBDEWXTAI-SUMWQHHRSA-N	398.442	2.370	0	1	GEAF	
CCC(=O)Nc1ccnc(Sc2c(C)nc(N3CCN(C)CC3)nc2C)n1	103254972	SGBPXTDDUQMXAO-UHFFFAOYSA-N	387.513	2.135	0	1	GEAF	
CCN1CCC[C@H]1CN(Cc1cc(C)[nH]n1)CC1CCN(CCOC)CC1	22851478	ISFSVFORVVQWQG-NRFANRHFSA-N	377.577	2.363	0	1	GEAF	
COC(=O)C1=CO[C@H](C)[C@@H]2CN3CC[C@]4(C(=O)Nc5ccc(OC)cc54)[C@H]3C[C@H]12	2356598184	HSEWZVYXOFZIMV-XKJNZIGTSA-N	398.459	2.071	0	1	GEAF	
Cc1cc(Nc2cc(N3CCOCC3)nc(N[C@@H](C)c3ncc(F)cn3)n2)n[nH]1	66100326	VQLGDEFHXMDXJG-LBPRGKRZSA-N	399.434	2.191	0	1	GEAF	
COC(=O)/C=C/c1ccc2c(c1)S(=O)(=O)N(C1CCCC1)[C@H]2CC(=O)OC	36382905	GQALFKIFDGJACE-DZZUKKPASA-N	393.461	2.424	0	1	GEAF	
Nc1nc(Nc2ccc(OCCCN3CCOCC3)cc2)nn1-c1ccccn1	72127980	NIPJQRGYPGKSQY-UHFFFAOYSA-N	395.467	2.089	0	1	GEAF	
CCCCO[C@@H]1C[C@H](C(=O)N[C@H](CO)[C@@H](C)CC)N(C(=O)c2ccco2)C1	299876537	FWAFAYUTYQILIP-YLFCFFPRSA-N	380.485	2.203	0	1	GEAF	
COc1cc2c3c(c1)O[C@@](CN1CCOCC1)(c1c(C)nn(C)c1C)[C@@H](C2)C3=O	587429762	AQXFQQDXCYKSOY-HTAPYJJXSA-N	397.475	2.021	0	1	GEAF	
Nc1ccnc2[nH]c([C@@H](N)Cc3ccc(I)cc3)nc12	587184273	AHUYPGCNAFBPHU-NSHDSACASA-N	379.205	2.387	0	1	GEAF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H]3CN[C@@H](C(=O)O)[C@@H]3C2)N1	587795301	OFMDKCFZQMYUCZ-COIFCZEISA-N	383.261	2.400	0	1	GEAF	
COC(=O)c1ccnc2[nH]c([C@H](CCN(C)C)NC(=O)OC(C)(C)C)nc12	587194490	URIXEMKXSKWPAY-LBPRGKRZSA-N	377.445	2.262	0	1	GEAF	
O=C(NCc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1)c1cscn1	587028816	YQAIQRZTWSSOBJ-UHFFFAOYSA-N	381.421	2.009	0	1	GEAF	
CC(C)c1sc(N2CCN(C)CC2)nc1C(=O)Nc1ccccc1C(N)=O	1857588170	UHRRQDIBYDQDHB-UHFFFAOYSA-N	387.509	2.370	0	1	GEAF	
CO[C@H]1C[C@H](Cc2ccc(Cl)cc2)N(C2CCN(c3nc(=N)[nH][nH]3)CC2)C1	1857589688	CWVKUWZSIMMEOV-IRXDYDNUSA-N	390.919	2.171	0	1	GEAF	
CC(C)N1CCN(C(=O)N2CCC(C(=O)N3CC4CCC(CC4)C3)CC2)CC1	34947323	UQKFKOGOHFMDDR-UHFFFAOYSA-N	390.572	2.493	0	1	GEAF	
C=Cc1c(N)cc(C(=O)NCc2ccc(S(C)(=O)=O)cc2)nc1OCC	38145075	IMJJIEOGAREOEH-UHFFFAOYSA-N	375.450	2.039	0	1	GEAF	
Cn1c2c([C@H](O)[C@@H](O)[C@@H](O)CO)nc(-c3ccccc3)c-2cc2ccccc21	15217327	XKUIGAKCZROFRN-HSQYWUDLSA-N	378.428	2.093	0	1	GEAF	biogenic
O=c1c2ccccc2n(S(=O)(=O)c2ccccc2)c(=O)n1-c1ccccc1	49808566	VLVGTBOGLJLZGN-UHFFFAOYSA-N	378.409	2.389	0	1	GEAF	
Cc1ccc(NC(=O)c2c3nc(/C=C\C(=O)O)[nH]c(=O)c3c3n2CCC3)cc1	45300193	ZDCZNBAEDCZQFK-HJWRWDBZSA-N	378.388	2.329	0	1	GEAF	
COc1cc(-c2cc(=O)[nH]c(CC(=O)N3CCc4c(F)cccc43)n2)ccn1	147065838	DQBLIBNAIMHTJV-UHFFFAOYSA-N	380.379	2.111	0	1	GEAF	
C[C@]1(O)C[C@@H](c2ccccc2)C[C@H](O)CCC[C@@H]1CNC(=O)CCC(=O)O	618017031	UYYBHBNTVVSKDU-OOSNJVJTSA-N	377.481	2.443	0	1	GEAF	
O=C(O)C1=C[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C(=O)CO1	587356102	IFANDZYMUIDFCR-FXAWDEMLSA-N	384.315	2.197	0	1	GEAF	
O=C1C[C@H](c2nc3ccc(-n4cnnn4)cc3[nH]2)CN1Cc1ccc(F)cc1F	587149073	LQXQZELVNHAIBT-LBPRGKRZSA-N	395.373	2.333	0	1	GEAF	
COc1ccccc1NS(=O)(=O)c1ccc2nc(CC3OCCO3)[nH]c2c1	586909367	XPMZSWPDVVYYAP-UHFFFAOYSA-N	389.433	2.288	0	1	GEAF	
COc1ccc(S(=O)(=O)N[C@H](c2nc3cc(Cl)cnc3[nH]2)[C@@H](C)O)cc1	586938838	RMSMXPUTVFJJOB-OTYXRUKQSA-N	396.856	2.020	0	1	GEAF	
CCCc1c(O)ccc2c1O[C@]1(CCS(=O)(=O)C[C@@H]1C(=O)OCC)CC2=O	587494991	ZMUBMAJODPARSZ-AUUYWEPGSA-N	396.461	2.047	0	1	GEAF	
C=C1NNC(=O)C(c2nc(-c3ccc(N(C)S(C)(=O)=O)cc3)cs2)=C1C	587923613	APZPWMYWCBVGHI-UHFFFAOYSA-N	390.490	2.128	0	1	GEAF	
CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccc(N(C)C)cc3nc2-1	5499988	MWTOKTASAMZAGI-QFIPXVFZSA-N	391.427	2.146	0	1	GEAF	
C[C@@H]1CCC[C@@H](C)N1C(=O)CCNS(=O)(=O)c1cccc2nsnc12	2496264	GRWJRJYKCNHOIK-VXGBXAGGSA-N	382.511	2.149	0	1	GEAF	
S=C(NCCC1=N[C@@H]2C=CC=C[C@H]2N1)Nc1ccc(Br)cn1	27426691	KUNGOWDLUVFODX-VXGBXAGGSA-N	378.299	2.386	0	1	GEAF	
CCCCN1CCN(CCNC(=O)n2c(=O)n(C3CC3)c3ccccc32)CC1	22939312	WALCAXLVHKUXCV-UHFFFAOYSA-N	385.512	2.113	0	1	GEAF	
C[C@@]1(C(=O)NS(=O)(=O)C2CC2)CCCN(C(=O)CSc2ccccc2)C1	61925741	XBOVGUUTOCBLDD-GOSISDBHSA-N	396.534	2.016	0	3	GEAF	
CC(C)(C)c1cc(I)c(OS(C)(=O)=O)c(CN)c1	27855821	SSAQQKLSVXWOMJ-UHFFFAOYSA-N	383.251	2.386	0	1	GEAF	
CCn1cc([C@]2(c3ccc(F)c(-c4cccnc4F)c3)N=C(N)N(C)C2=O)cn1	34803609	XLKFXPAKZSTNHX-FQEVSTJZSA-N	396.401	2.274	0	1	GEAF	
O=C(COc1cccc2cccnc12)NC[C@H](O)CN1CCc2ccccc2C1	210239060	ZVCIZCPAJITPQB-FQEVSTJZSA-N	391.471	2.149	0	1	GEAF	
CCOC(=O)CN1CCN(c2ncc(C)c(NCc3cccc(C)c3)n2)CC1	82203601	QAEUVOAUEURMLJ-UHFFFAOYSA-N	383.496	2.391	0	1	GEAF	
O=C(c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1)N1CC2(CCCO2)C1	146148955	LBFSEQBOJJEMDO-UHFFFAOYSA-N	379.407	2.331	0	1	GEAF	
COc1ccc2c(c1)OC(=O)C[C@]21N[C@H](C(=O)O)Cc2c1cnc1ccccc21	963225009	CRSBZRKCVIAGAJ-AVRDEDQJSA-N	390.395	2.395	0	1	GEAF	
COCC(=O)N(CCC(C)C)c1ncc(C(=O)NCCCn2ccnc2)s1	169341668	KIYWJMXCCYULHP-UHFFFAOYSA-N	393.513	2.185	0	1	GEAF	
NCc1ccc(-c2ccc(N3C[C@H](Cn4cc(O)nn4)OC3=O)cc2F)cc1	1857647114	LGBFJNQAKCBGEU-HNNXBMFYSA-N	383.383	2.274	0	1	GEAF	
COc1cccc(-n2c(=O)n(C)c3c(C(N)=O)nc(-c4ccccc4C)nc32)c1	9835440	AXIOYORBTCIPFW-UHFFFAOYSA-N	389.415	2.202	0	1	GEAF	
CC[C@H]1N[C@]2(C(=O)N(C)c3ccccc32)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]12	104087031	KFJRSLWMRDVZGK-NZQNYPKQSA-N	389.455	2.042	0	1	GEAF	
CNCc1cn(S(=O)(=O)c2cc(C)ccn2)c(-c2cccnc2F)c1F	68201793	JDCBSVKVFVIKHL-UHFFFAOYSA-N	378.404	2.488	0	1	GEAF	
CN(C1CCCCC1)S(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccco2)C1	20511485	GBLSWALFECXIRH-OAHLLOKOSA-N	383.514	2.117	0	1	GEAF	
Cn1c(=O)c2c(nc3n2CCCN3Cc2ccc(Cl)cc2Cl)n(C)c1=O	28873948	GRYMSVJVCNODBS-UHFFFAOYSA-N	394.262	2.151	0	1	GEAF	
COc1cc2nc(NC[C@@H](O)CO)nc(NCc3ccc(C)cc3)c2cc1OC	82130625	PVMHHMYXCSVLIA-OAHLLOKOSA-N	398.463	2.333	0	1	GEAF	
O=C(N[C@@H](CO)COCc1ccccc1)c1coc(-c2ccc3c(c2)OCO3)n1	82085887	UFLHQJXKCHKOLU-INIZCTEOSA-N	396.399	2.378	0	1	GEAF	
O=C(C[C@@H]1CC[C@@H](NC(=O)C2CCC2)[C@@H](CO)O1)NCc1ccccc1Cl	95905112	DLKBRBFAHGAPTH-CGTJXYLNSA-N	394.899	2.171	0	1	GEAF	
O=C1OCCN1c1ccc(-c2ccc3c(c2)SC[C@H]2[C@H](CO)OC(=O)N32)cn1	299870552	WJWFAKCESTWQDR-GJZGRUSLSA-N	399.428	2.497	0	1	GEAF	
N[C@@H](Cc1cc(Cl)c(Cl)c(-c2ccc(S(N)(=O)=O)cc2)c1)C(=O)O	653687078	JULUTFHBMAQDKX-ZDUSSCGKSA-N	389.260	2.262	0	1	GEAF	
COC(=O)[C@@H]1C[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)CN1C(=O)OC(C)(C)C	587393639	JVTTVXGPXJKEKT-VBKZILBWSA-N	390.436	2.464	0	1	GEAF	
COCCNC(=O)c1cccc(NC(=O)CCc2nc3cncc(C)c3[nH]2)c1	587231005	LJBVVGXNMUMOQT-UHFFFAOYSA-N	381.436	2.214	0	1	GEAF	
CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2c(N)ncnc2[nH]1	586983981	FMQIBNFYEQFPOI-NSHDSACASA-N	375.230	2.118	0	1	GEAF	
COc1cc2c3c(c1)O[C@@]1(C[C@H]4CC[C@]1(CS(N)(=O)=O)C4(C)C)[C@@H](C2)C3=O	587447506	ATSAEDMETCCPIV-FINPGKJESA-N	391.489	2.296	0	1	GEAF	
CCCc1c(O)ccc2c1O[C@@](CC(=O)C(=O)OC)(c1ccnn1C)CC2=O	587480049	VZWSGNRAVMATGJ-FQEVSTJZSA-N	386.404	2.071	0	1	GEAF	
Cc1cc(Br)cc2nc(CS(=O)(=O)Cc3ccnn3C)[nH]c12	586922058	PKNDNOXCBYOEBG-UHFFFAOYSA-N	383.271	2.482	0	1	GEAF	
Nc1nccc2nc(CCNS(=O)(=O)c3c(Cl)cccc3Cl)[nH]c12	586943070	UUMHYENLPWJCQC-UHFFFAOYSA-N	386.264	2.368	0	1	GEAF	
COc1cccc([C@@]2(CC3OCCO3)N[C@H](C(=O)O)Cc3cccc(F)c32)c1	962910914	NPSGOEPWDGGWAT-LAUBAEHRSA-N	387.407	2.440	0	1	GEAF	
C[C@H]1C[C@H]2CSC(=N)N[C@]2(c2nc(NC(=O)c3ccon3)cs2)CO1	1772648146	OFIOBUSIAWOIEX-KOSWAMCASA-N	379.467	2.275	0	1	GEAF	
CC(C)(C)OC(=O)CNC(=O)c1[nH]cnc1C(=O)Nc1ccc(Cl)cc1	13657460	NUHNBOBCXDYEON-UHFFFAOYSA-N	378.816	2.387	0	3	GEAF	
CCc1c(C(=O)C(N)=O)c2c(OCC(=O)O)cccn2c1Cc1cccs1	13758474	JQXJVILJHCTNFX-UHFFFAOYSA-N	386.429	2.285	0	1	GEAF	
O=C(NC[C@@H]1CCCCN1)c1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1	167434225	JUSARCZLQRAOLR-KRWDZBQOSA-N	380.492	2.111	0	1	GEAF	
C[C@@H]1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1nc2ccccc2[nH]1	1857580349	POLCTCAFTSYPJP-CQSZACIVSA-N	376.416	2.119	0	1	GEAF	
CN1CCOc2c1cnn1c(-c3cccc(NCC4CCNCC4)c3)nnc21	1857616932	OIHASQTWQZRYHF-UHFFFAOYSA-N	379.468	2.031	0	1	GEAF	
CCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(CCn2cccn2)CC1	597115	QLTFJNWRBMIGIS-UHFFFAOYSA-N	384.480	2.334	0	1	GEAF	
O=C(NCCOCCO)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccoc1	4206624	KSTUOCWQRPEVTN-RDJZCZTQSA-N	378.812	2.150	0	1	GEAF	
CCCCCC(=O)N1CC[C@](C)(O)[C@H](NC(=O)COC)[C@H]1c1ccccc1	2356288585	HOWVPHKQTLFAIN-NJYVYQBISA-N	376.497	2.423	0	1	GEAF	
FC(F)(F)Oc1ccc(Nc2ncnc(NCCN3CCOCC3)n2)cc1	64540254	KRPXBTFHUNVBRX-UHFFFAOYSA-N	384.362	2.258	0	1	GEAF	
CCc1c(C)c2c(c(O)c1C/C=C(\C)CNCCP(=O)(O)O)C(=O)OC2	34867399	BFBLPUNSIFCKOX-VZUCSPMQSA-N	383.381	2.190	0	1	GEAF	
CC1(C)OC[C@H]([C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@@H]2NC(=O)CCc2ccccc2)O1	40918438	XYVHFSCJQGGGHE-WSIUPNEHSA-N	391.464	2.132	0	1	GEAF	
C[C@H]1CNc2c(NC(=O)CCC3CCCC3)c(=O)n(Cc3ccncc3)c(=O)n21	82212517	CFBYQDXYEOASOL-AWEZNQCLSA-N	397.479	2.349	0	1	GEAF	
NC(=O)[C@@H]1CCN(C(=O)c2ccc3c(c2)[C@](O)(C(F)(F)F)c2ccccc2-3)C1	144756058	JDQOSRZTNBJXFU-BLVKFPJESA-N	390.361	2.413	0	1	GEAF	
O=C(c1ccc2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2)N1CC(OCCO)C1	143338340	SPQSUDROZKYKIG-LJQANCHMSA-N	393.361	2.299	0	1	GEAF	
COc1ccc2c(c1O)N(C(C)=O)[C@@H]1CC[C@@]3(CCO)CCCN4CC[C@@]21[C@H]43	238739890	DSRKDZUUODNKLW-BRKWEVRTSA-N	386.492	2.404	0	1	GEAF	
CC(C)CNC(=O)[C@H]1CCS(=O)(=O)[C@@H]2CN(Cc3ccc(Cl)cc3)C[C@H]12	96250980	LSLJTSFFVOWRIB-RCCFBDPRSA-N	398.956	2.347	0	1	GEAF	
Cn1c(=O)c2c(nc(SCCCc3cccc(Cl)c3)n2C)n(C)c1=O	95560362	OIMZSBPQQFCVRU-UHFFFAOYSA-N	378.885	2.349	0	1	GEAF	
N#CN1CC[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)C1	621431332	IHGOJDDZBIEQDF-UXHICEINSA-N	392.459	2.196	0	1	GEAF	
O=S(=O)(NCc1nc2cc(F)cc(F)c2[nH]1)c1ccc2c(c1)OCCO2	586941222	GRIVVLJEGYMPFO-UHFFFAOYSA-N	381.360	2.091	0	1	GEAF	
O=S(=O)(Cc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1)C1CCCC1	586925281	YJTUEMPPGQCXDJ-UHFFFAOYSA-N	387.465	2.480	0	1	GEAF	
Cc1cccc2c1N(C)C=C(C(=O)O)[C@]21N[C@H](C(=O)O)Cc2cc(F)ccc21	962907024	SCHVGLSFVRSEAR-LAUBAEHRSA-N	382.391	2.395	0	1	GEAF	
CC[C@H]1Cc2c([nH]c3ccccc23)[C@]2(N1)c1cc(OC)ccc1C(=O)C2(O)O	962956935	ZCVVLDDKXXGPRQ-LAJNKCICSA-N	378.428	2.222	0	1	GEAF	
O=C(NCc1ccccc1)[C@@H]1CCCN(S(=O)(=O)N2CCCCCC2)C1	6921624	ZYTBUVBZDKKSSQ-GOSISDBHSA-N	379.526	2.136	0	1	GEAF	
O=C1CC[C@H](/C=C/[C@H](O)Cc2ccccc2)N1CCCCCCc1nnn[nH]1	13488404	JWYPJSNXPZTEHL-VDYYAZEHSA-N	383.496	2.453	0	1	GEAF	
CCOC(=O)[C@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OCC)[C@@H]1c1ccc(OCC)cc1	13562766	SYMQGPSLVUNGPV-WKRCXCSHSA-N	392.448	2.251	0	1	GEAF	
O=CN1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@H](CN2CCCC2)C1	13832108	VZELDQLPRRHTQM-OAHLLOKOSA-N	384.307	2.301	0	1	GEAF	
COc1cc(O)cc([C@@H](O)[C@@H]2CO[C@@H](c3ccc(O)c(OC)c3)[C@@H]2CO)c1	14435949	PMLAAAIZDRPWMW-SMOSDQRPSA-N	376.405	2.145	0	1	GEAF	biogenic,in-vitro
COC(=O)C/C=C\C=C/C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)Oc1ccccc1	27620960	JDAUJWUAYBDAHN-PSVLMHGBSA-N	388.460	2.364	0	1	GEAF	
CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOCC4)n2)COCC3)cc1	71297056	YRPYSBTYOXXVGG-UHFFFAOYSA-N	383.452	2.194	0	1	GEAF	
CC(C)N1CCN(C(=O)N2CCC3(CCN(C4CCOCC4)CC3)C2)CC1	103243064	ALHGMPCGQILRCO-UHFFFAOYSA-N	378.561	2.099	0	1	GEAF	
O=C(NO)c1ccc(Cn2c3c(c4cc(F)ccc42)CS(=O)(=O)CC3)cc1	206041387	UFLTXBAQOUWVFZ-UHFFFAOYSA-N	388.420	2.419	0	1	GEAF	
C[C@@]1(c2ccccc2)CC(=O)N(CC(=O)N2CCN(C3CCCCC3)CC2)C1=O	473087559	KPYOPKXRKNUTJK-QHCPKHFHSA-N	397.519	2.180	0	1	GEAF	
CC[C@@H](C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1)N1C(=O)CCC1=O	473128640	DKYGACQLIQPSIT-HNNXBMFYSA-N	397.397	2.282	0	1	GEAF	
O=C(O)[C@@H]1NC[C@@H]2C[C@]3(Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)[C@@H]21	587346377	MGDMOFNVDUQUNZ-ZUMWZWLGSA-N	383.375	2.322	0	1	GEAF	
COc1cnc2ccc(=O)n(CCN3CCN(Cc4ccc(F)cc4)CC3)c2c1	653794058	ARDDDECUUZZLNM-UHFFFAOYSA-N	396.466	2.362	0	1	GEAF	
COC(=O)c1ccc2nc(CO[C@@H]3CN(C4CCOCC4)C[C@H]3F)[nH]c2c1	2356299983	RLGFPTXYVLLMPB-RHSMWYFYSA-N	377.416	2.067	0	1	GEAF	
O=C1[C@H]2C[C@@H](CN2Cc2ncc[nH]2)Oc2ccccc2N1Cc1ccccn1	2356300195	BJIXBMUKKXHHOV-FUHWJXTLSA-N	375.432	2.373	0	1	GEAF	
COC(=O)[C@@H]1[C@@H](CO)Cc2cc(OC)c(O)cc2[C@@H]1c1ccc(O)c(OC)c1	2356566625	NREMFWIZQSDSDC-CAYVGHNUSA-N	388.416	2.201	0	1	GEAF	
Cc1cc(=O)n2nc(N3CCC[C@H](C(=O)N[C@H]4CCCC[C@H]4C)C3)sc2n1	253988990	AZWJXIVYDKJMKF-SNPRPXQTSA-N	389.525	2.371	0	3	GEAF	
COc1cccc(S(=O)(=O)c2n[nH]c3ccc(N4CCN(C)CC4)cc23)c1	3820939	OLFDZZDPXPOJLO-UHFFFAOYSA-N	386.477	2.156	0	1	GEAF	
O=C(NCc1ccc(F)cc1)[C@@H]1[C@@H]2C(=O)N(Cc3cccs3)C[C@]23C=C[C@H]1O3	4576177	VTHPLPGBZOZQLE-BMQTXXJKSA-N	398.459	2.486	0	1	GEAF	
NC(=O)c1cc2ccc3c(c2c(-c2ccc4c(c2)OCO4)c1C(N)=O)OCO3	28112384	VPLWECLVOOTJKG-UHFFFAOYSA-N	378.340	2.162	0	1	GEAF	
CCNC[C@H]1CNC(=O)c2cc3ccc(C(=O)Nc4nccs4)cc3n2C1	29125754	XQZOZIZDEUGUED-LBPRGKRZSA-N	383.477	2.319	0	1	GEAF	
C[C@@H]1C[C@@H]2OC(=O)[C@@H]3CCC[C@]([C@@H]4C(=O)O[C@H](c5ccoc5)[C@@H]4O)(O1)[C@@]23C	2356573507	PSFXEAJPVCTVJM-NBIPNTNFSA-N	376.405	2.134	0	1	GEAF	
CC=C1CN2CC[C@@]34c5ccccc5N[C@H]3[C@H]2C[C@H]1[C@]4(COC(C)=O)C(=O)OC	2356674370	FLECFYMISGFZLH-JYWLFISISA-N	396.487	2.495	0	1	GEAF	
COc1cc(OC)c2c(c1OC)=CN(C)[C@H]1C=2C=Cc2cc3c(cc21)OCO3	2356825453	HSINNDYYAKZZNQ-NRFANRHFSA-N	379.412	2.043	0	1	GEAF	
CC[C@H](C)[C@]1(OC)NC(=O)[C@@H](C(C)C)n2c1nc1c(c2=O)C=C(OC)C=CO1	2356850183	QAGOKKIRIONYAD-PGICJIBASA-N	389.452	2.309	0	1	GEAF	
COc1ccc(-c2nc3c(C(=O)NCCCO)cccc3[nH]2)c(OC)c1OC	71715462	WPZBGDIVCLOTKE-UHFFFAOYSA-N	385.420	2.368	0	1	GEAF	
COC[C@H]1CN[C@H](C)CN1CC(=O)N1CC(C)(C)c2cnc(C(C)(F)F)cc21	219015897	FEWFTJJRQQKWQV-ZIAGYGMSSA-N	396.482	2.126	0	1	GEAF	
CC(=O)NCCNC(=O)c1cnc(N2C[C@@H](C)C[C@H](C)C2)nc1-c1ccco1	82142957	NILJFQLFECMQHN-KBPBESRZSA-N	385.468	2.085	0	1	GEAF	
O=C(O)CCC(=O)N1CCc2ccccc2[C@@H]1CN1C(=O)c2ccccc2C1=O	95872209	UGWUSURXHUWTHS-SFHVURJKSA-N	392.411	2.273	0	1	GEAF	
Nc1ncc(-c2cc(N3C[C@H](F)[C@H](F)C3)nc(N3CCC3)n2)cc1OC(F)F	653667557	LTPMWXGCIQDFIB-PHIMTYICSA-N	398.364	2.429	0	1	GEAF	
Cc1c(I)cnn1[C@@H](C)c1nc2cc(N)c(N)cc2[nH]1	587182776	SEORYPNFVZSBQT-ZETCQYMHSA-N	382.209	2.446	0	1	GEAF	
C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2ccc(OC(F)(F)F)cc2[nH]1	586939608	PPAIGDRDLOPSIY-QMMMGPOBSA-N	389.359	2.235	0	1	GEAF	
COC(=O)c1cc2nc(CN(C)S(=O)(=O)c3ccc(Cl)cc3)[nH]c2cn1	586928631	GMSBCBOOEQJYIN-UHFFFAOYSA-N	394.840	2.219	0	1	GEAF	
CCOC(=O)[C@@H]1CNCC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1	587594000	JUSAZOUPCCOXIF-LFRPXUGBSA-N	383.400	2.265	0	1	GEAF	
CCCCS(=O)(=O)N[C@@H](c1nc2cc3c(cc2[nH]1)OCC(=O)N3)C(C)C	586933484	SRROSNRGRVRVOZ-MRXNPFEDSA-N	380.470	2.310	0	1	GEAF	
NS(=O)(=O)c1ccc(CCc2nc3c(Br)ccnc3[nH]2)cc1	586929592	FSNMUDAVQGWYAD-UHFFFAOYSA-N	381.255	2.153	0	1	GEAF	
COC(=O)[C@@H]1CC[C@]2(C[C@H]1C(=O)OC)NCCc1cc3cccc(OC)c3nc12	963050560	CORKXYRIGFYCRT-XCGNWRKASA-N	398.459	2.347	0	1	GEAF	
CCOC(=O)c1cccc([C@H]2N[C@H](C(=O)O)Cc3c2cnc2ccccc32)n1	963226527	OMSUKZUOWOSUGK-OALUTQOASA-N	377.400	2.495	0	1	GEAF	
Cc1c(O)ccc2c1[C@H](c1ccc(OC3CCOCC3)nc1)N[C@H](C(=O)O)C2	963466759	FJJOGYFKSJADLM-JXFKEZNVSA-N	384.432	2.342	0	1	GEAF	
CC(=O)N1CCc2ccc(NS(=O)(=O)c3c(Cl)nc4n3CCS4)cc21	116607171	KJWTWGBYMTXZSW-UHFFFAOYSA-N	398.897	2.352	0	1	GEAF	
O=c1[nH]c(=O)n(COCCO)cc1Cc1cccc(Oc2ccc(F)cc2)c1	13605695	TZABQJMDNIKAJT-UHFFFAOYSA-N	386.379	2.025	0	1	GEAF	
CC(C)[C@@H](NC(=O)CN1CCc2c([nH]c3ccccc23)C1=O)C(=O)C(F)(F)F	13740118	SINJCQUHUJYHFY-OAHLLOKOSA-N	395.381	2.438	0	1	GEAF	
O=C(O)/C=C\C(=O)Nc1ccc(CCN2C(=O)C[C@@H](c3ccccc3)C2=O)cc1	169332915	IGUFJJKPYMNKSM-LENZSSGSSA-N	392.411	2.351	0	1	GEAF	
CC[C@@H]1C2=C3N(CCCC2)[C@H]([C@@H]2C[C@H](C)C(=O)O2)C[C@]3(O)[C@@H]2[C@@H](C)C(=O)O[C@H]12	169657632	NRAYVMDGNDSGJU-NIPIUZKKSA-N	389.492	2.399	0	1	GEAF	
CC(=O)O[C@@H]1CCC[C@@H]1n1c(=O)cc(O)n(CCc2cccc(Cl)c2)c1=O	169729800	ABJVIYICZHGBBB-JKSUJKDBSA-N	392.839	2.268	0	1	GEAF	
N[C@]1(CNC(=O)c2ccc(F)cc2)CCN(c2ncnc3[nH]cc(Cl)c23)C1	53243341	CIUDTEMUAJXOJA-SFHVURJKSA-N	388.834	2.088	0	1	GEAF	
CC[C@H](C)N1CCN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3CC)CC1	26822746	DXQYVPZBKJTZFG-LBPRGKRZSA-N	376.432	2.174	0	1	GEAF	
O=C(O)[C@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C(=O)Nc1cccc(I)c1	64526445	DSZYTEBTYUKNNT-RHYQMDGZSA-N	387.173	2.108	0	1	GEAF	
CC1(C)C(=O)N[C@H](c2ccc(NC(=O)CN3CCOCC3)cc2)c2ccccc21	31983029	MLRWWLPZXUSTOO-OAQYLSRUSA-N	393.487	2.454	0	1	GEAF	
COc1cc2c(cc1OS(N)(=O)=O)CC[C@@H]1[C@@H]3CC[C@H](O)[C@@]3(C)CC[C@@H]21	38465214	RWIXFHUXVURZCZ-MGYLJIMESA-N	381.494	2.495	0	1	GEAF	
CNc1nn2c(C)c(CCN(C)C)c(C)nc2c1S(=O)(=O)c1ccccc1	73161951	DXJVLOZKCVBNKK-UHFFFAOYSA-N	387.509	2.325	0	1	GEAF	
Cc1cc2c(c(=O)o1)C=C1CC[C@H]([C@H](C)Cn3cc(C)c(=O)[nH]c3=O)C[C@@H]1O2	40407345	IFDFTJAPSISDSE-WHCBVINPSA-N	384.432	2.387	0	1	GEAF	
Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4ccccc4-n4nccn4)C[C@H]32)n1	145733730	GCJLLSZIAIAWSK-QFBILLFUSA-N	389.463	2.025	0	1	GEAF	
CCCNC(=O)N1[C@H](CNC(=O)c2ccccc2)[C@@H](c2ccccc2)[C@@H]1CO	95895330	BDBCNCHRSQLNJW-HSALFYBXSA-N	381.476	2.365	0	1	GEAF	
COc1cc2c3c(c1)O[C@]1(C(=O)Nc4cc(N5CCOCC5)ccc41)[C@@H](C2)C3=O	587445360	WAMPSOXBGGPLAJ-AOMKIAJQSA-N	392.411	2.127	0	1	GEAF	
Nc1ncc(-c2nc3c(Br)cnc(Br)c3[nH]2)c(O)n1	587253824	RDGDHFFEKXLYON-UHFFFAOYSA-N	386.007	2.228	0	1	GEAF	
NS(=O)(=O)c1ccc2nc([C@@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2c1	587076525	MUAIFOXNPGZJCB-HNNXBMFYSA-N	376.825	2.481	0	1	GEAF	
O=S(=O)(CC(F)(F)F)c1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1	587368375	IMKRDQMOSIUMCO-UHFFFAOYSA-N	385.323	2.439	0	1	GEAF	
CCC[C@H](C)NC(=O)c1ccc(N(C)Cc2cnc3nc(N)nc(N)c3n2)cc1	5839088	SEOUDLUVPQXRMF-LBPRGKRZSA-N	394.483	2.139	0	1	GEAF	
C[C@](O)(C(=O)Nc1ccc(S(=O)(=O)c2ccccc2O)cc1)C(F)(F)F	13760149	FTVVTTPQUSNKBN-HNNXBMFYSA-N	389.351	2.477	0	1	GEAF	
COc1cc(/C=c2\sc3nc(-c4ccncc4C)cn3c2=O)cc(OC)c1O	169353883	DFOUAWOLZRCIJU-IUXPMGMMSA-N	395.440	2.397	0	1	GEAF	
O=C(NN1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O)c1cccc(Br)c1	169360888	IYWDNVOMIGEONH-VMCMIOBHSA-N	387.233	2.147	0	1	GEAF	
Cc1nc2ccc(S(=O)(=O)NCC(=O)NCc3cccs3)cc2s1	201451990	FLIUKXVIBONMRZ-UHFFFAOYSA-N	381.504	2.261	0	3	GEAF	
CC[C@H](CO)NCc1ccnc(-c2ccc(S(=O)(=O)C(F)(F)F)cc2)n1	204415669	ZQNJHTMSUZKGHF-GFCCVEGCSA-N	389.399	2.298	0	1	GEAF	
O=C1Nc2ccccc2[C@@]12CCN(CCN1CCN(c3ccccc3)CC1)C2	1857645898	XMJQXVBVBFLUHR-QHCPKHFHSA-N	376.504	2.404	0	1	GEAF	
O=C(CS(=O)(=O)c1c[nH]c2ccccc12)N1CCN(c2ccccc2)CC1	2722166	CNLSWZNIZQPKNV-UHFFFAOYSA-N	383.473	2.290	0	1	GEAF	
O=C(C[C@H]1C[C@H]2CC[C@@H]1C2)N1CCN(S(=O)(=O)c2ccccc2F)CC1	6237338	QGCMJWGMDIYFOI-ARFHVFGLSA-N	380.485	2.485	0	1	GEAF	
COc1cccc(S(=O)(=O)n2cc3c4c(cccc42)N2CCNC[C@H]2C3)c1	118363116	DOBUOBAPPQDHPY-OAHLLOKOSA-N	383.473	2.221	0	1	GEAF	
CC(C)Cn1c(=O)[nH]c2nc(-c3cnn(Cc4cccc(F)c4)c3)[nH]c2c1=O	29037292	NMUVNLBTHYOWDK-UHFFFAOYSA-N	382.399	2.120	0	1	GEAF	
OC[C@H]1[C@H](Cc2ccnc(COc3ccccc3)n2)[C@H](NC2CCCC2)C[C@H]1O	2356616924	KZFZUSFAISIIQL-FNAHDJPLSA-N	397.519	2.488	0	1	GEAF	
Cc1cccc(S(=O)(=O)NC(=O)[C@]2(C)CCN2C(=O)Cc2ccccc2)c1	61897185	WAEODWCTIFMPLF-FQEVSTJZSA-N	386.473	2.034	0	3	GEAF	
O=C(CC[C@@H](CC(=O)C(=O)O)C(=O)O)NCC(c1ccccc1)c1ccccc1	40429342	FDMSUFMIVDNICF-KRWDZBQOSA-N	397.427	2.460	0	1	GEAF	
CNC[C@H](O)CCN1c2ccccc2N(c2c(F)cccc2F)S1(=O)=O	49089676	KCQQWPYAESYXHU-GFCCVEGCSA-N	383.420	2.138	0	1	GEAF	
CC1=C2CC[C@]3(C[C@@H](C)C(=O)O3)[C@@H]3CC[C@@H]([C@@H]4C[C@H](C)C(=O)O4)N3[C@H]2OC1=O	238750195	ZWFSQWLYDLATHD-RFXBSOHPSA-N	389.448	2.086	0	1	GEAF	
O[C@@H]1CCCC[C@@H]1N1CCN(c2ncnc3c2cnn3-c2ccccc2)CC1	653745736	PFLHVJRFAPQYCV-RBUKOAKNSA-N	378.480	2.241	0	1	GEAF	
Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4[nH]c(=N)[nH]c(Cl)c-4n3)cc12	587037441	IUFKCGAGOJTJHX-ZCFIWIBFSA-N	390.860	2.118	0	1	GEAF	
COC(=O)C[C@]1(C(OC)OC)N[C@@H](C)Cc2ccc(F)c(Br)c21	587789812	DPEVOFJRCZYDJU-FVMDXXJSSA-N	390.249	2.500	0	1	GEAF	
COC(=O)[C@H]1Cc2ccc(OC)cc2[C@@]12N[C@H](C(=O)O)Cc1cc(F)ccc12	962892647	GLWWSXOGPSUBNE-LVCYWYKZSA-N	385.391	2.022	0	1	GEAF	
CCN1C[C@@H](CNC2CCN(c3cccc(NC(=O)C4CC4)c3)CC2)CC1=O	11913696	OUMAMSVYPVDFNK-MRXNPFEDSA-N	384.524	2.462	0	1	GEAF	
Cc1ccc(-n2[nH]cc3c(=O)nc(SCC(=O)N4CCCC4)nc2-3)cc1C	12732118	QTPYRPMJNUIKAJ-UHFFFAOYSA-N	383.477	2.392	0	3	GEAF	
CCCCn1c(=O)c2[nH]c(C34C[C@@H]5CC3C[C@@H](C5)C4)nc2n(CCCO)c1=O	13815402	CIBIXJYFYPFMTN-RPGRIMGWSA-N	386.496	2.147	0	3	GEAF	in-vitro
O=C(Nc1ccc([C@H]2CNCCO2)cc1)c1ccn(-c2cnc(Cl)cn2)n1	150259940	ATQWQGDZEKQJHT-OAHLLOKOSA-N	384.827	2.229	0	1	GEAF	
CO[C@H](C)[C@H]1[C@@H]2C[C@H]3C4=Nc5ccccc5[C@]45C[C@@H]([C@H]2[C@@H]5OC(C)=O)N3[C@@H]1O	169289610	XHABFDBTVXEZFH-HAIGRNMXSA-N	382.460	2.018	0	1	GEAF	
CC(C)C[C@@H]1NC(=O)[C@H](S(=O)(=O)Cc2cccc(C(F)(F)F)c2)C1=O	169693712	JQLKDJXBTFQKGM-GXTWGEPZSA-N	377.384	2.102	0	1	GEAF	
O=C1CN(c2cccc(Cl)c2)CCN1C[C@H](O)CN1CCc2ccccc2C1	209694298	MNYWSKLJFHPLPG-OAQYLSRUSA-N	399.922	2.408	0	1	GEAF	
c1ccc(CN[C@@H]2CO[C@H]3[C@H]2OC[C@H]3Nc2nccc(-c3cccs3)n2)nc1	2356311289	BUXUCNNGXPRQHJ-ZAWLATJESA-N	395.488	2.337	0	1	GEAF	
CC=C(C)C(=O)O[C@@H](c1cc2ccc(=O)oc2cc1OC)[C@H](O)C(C)(C)O	2356410700	BAHUBXAYVOCLNA-ROUUACIJSA-N	376.405	2.484	0	1	GEAF	
O=C(Nc1cccc(Cl)c1)N[C@@H]1[C@H]2CO[C@@H](O2)[C@@H](n2cc(Cl)cn2)[C@H]1O	2356297593	WOPAHUVXCRACID-MRLBHPIUSA-N	399.234	2.037	0	1	GEAF	
O=C(NCCNC[C@@H](O)COc1ccc(-c2ncc[nH]2)cc1)Nc1ccccc1	26019566	UEWUDFSGKGXWSF-GOSISDBHSA-N	395.463	2.228	0	1	GEAF	
O=C(OC1[C@H]2C=C[C@H]1O2)c1cccc2c1C[C@@H]1Oc3cccc(O)c3[C@@H](O)[C@@H]1O2	2356527830	OHAIRVQDXRWIFM-VAVQPMOSSA-N	394.379	2.053	0	1	GEAF	
O=C1O[C@H](CO)[C@@H](Cc2ccc3c(c2)OCO3)[C@H]1Cc1ccc2c(c1)OCO2	2356587542	ORMBJJWNRAOORJ-BXTJHSDWSA-N	384.384	2.079	0	1	GEAF	
CC(C)(C)c1nccc(C[C@@H]2[C@H](NC3Cc4ccccc4C3)C[C@H](O)[C@H]2CO)n1	2356716471	NLKWBQVYMKTMOF-KJJMTIBFSA-N	395.547	2.432	0	1	GEAF	
O=C(N[C@@H]1CO[C@H]2[C@H]1OC[C@H]2Nc1nccc(-c2ccco2)n1)C1CCCCC1	2356809943	AUIKHVJYXPWRBI-ZAWLATJESA-N	398.463	2.380	0	1	GEAF	
CC(C)(C)OC(=O)N1CCN(C(=O)c2[nH]cnc2C(=O)Nc2ccccc2)CC1	36387770	BKJJXOUXNZECIC-UHFFFAOYSA-N	399.451	2.355	0	3	GEAF	
COc1cc(CC[C@H]2C[C@H](O)[C@@H](O)[C@@H](c3ccc(O)c(OC)c3)O2)ccc1O	1911570696	LCGBLCKQJODKLT-JGMDCFHESA-N	390.432	2.300	0	1	GEAF	
COc1cccc(CNc2nc(N3CC[C@@H](NC(C)=O)C3)ncc2C)c1OC	82212953	FVFSXSMOYOOMQC-MRXNPFEDSA-N	385.468	2.129	0	1	GEAF	
CC(C)[C@H](NC(=O)c1csc(-c2ccccc2)n1)C(=O)N1CCCNCC1	82070092	JLVXEZDQRZHQHR-KRWDZBQOSA-N	386.521	2.386	0	1	GEAF	
COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)C1CC1)CC31CCN(C)CC1	95865851	UQCLATBWEQSOCI-IBGZPJMESA-N	397.519	2.436	0	1	GEAF	
O=C([C@@H]1[C@@H](CO)[C@@H]2Cn3c(cccc3=O)[C@@H]2N1CC1CCCC1)N1CCCCC1	95880006	GUKOEQTWDQOVIJ-HXHBTQRASA-N	399.535	2.015	0	1	GEAF	
CC(C)(C)NC(=O)Nc1nc(Cl)c(Cc2ccccc2)n(CC(=O)O)c1=O	653843520	RBZQTFTVFUHCRF-UHFFFAOYSA-N	392.843	2.492	0	1	GEAF	
O=c1cccc(-c2nc3c(O)nc(O)nc3[nH]2)n1CCOc1ccccc1Cl	587064050	KTFPONCKUSIDTQ-UHFFFAOYSA-N	399.794	2.325	0	1	GEAF	
Cc1cc(CN2CCC[C@@H]2CNc2cc(N)n3nc(-c4ccco4)nc3n2)no1	13978293	GLXVDKXXZCCMSX-CQSZACIVSA-N	394.439	2.339	0	1	GEAF	
O=C(NCc1ccc(F)cc1)[C@H]1[C@@H]2C=C[C@@]3(CN(Cc4cccs4)C(=O)[C@@H]13)O2	4576178	VTHPLPGBZOZQLE-UGNRZPKXSA-N	398.459	2.486	0	1	GEAF	
OC1(c2cccnc2)C[C@H]2CC[C@H](C1)N2Cc1nnnn1Cc1ccccc1	102359639	VIDSENMALPAQSX-RTBURBONSA-N	376.464	2.131	0	1	GEAF	
COCC(=O)N[C@@H]1[C@H](c2cccs2)N(Cc2nccs2)CC[C@]1(C)O	2356289320	TWDAWNZPDUYLIX-BBWFWOEESA-N	381.523	2.034	0	1	GEAF	
Cc1cc([C@@H](C)NCCN(C)Cc2ccc3c(c2)OCO3)nc(-n2ccnc2)n1	73195853	KTUFQAOQDMNSOU-MRXNPFEDSA-N	394.479	2.482	0	1	GEAF	
COc1cc([C@@H](O)[C@@H](CO)Oc2c(OC)cc(C(C)=O)cc2OC)ccc1O	14821393	JMORGSSZTVVOFT-RTBURBONSA-N	392.404	2.094	0	1	GEAF	biogenic
CC(C)(CCc1ccc(O)cc1)NC[C@H](O)c1cc(O)cc2c1OCC(=O)N2	1911577157	IIRBASQAPZODAU-SFHVURJKSA-N	386.448	2.463	0	1	GEAF	
C[C@H](c1ccc(Br)cc1)N1C[C@]23C=C[C@@H](O2)[C@@H](C(=O)O)[C@@H]3C1=O	139735180	GOQWWHKSTWYHTI-OMMVGYAPSA-N	378.222	2.377	0	1	GEAF	
NC(=O)[C@H]1CCCN(c2ncc(C(=O)N3CCCCC3)c(-c3ccccc3)n2)C1	82133293	FEAUJRUTYIGGJU-KRWDZBQOSA-N	393.491	2.471	0	1	GEAF	
NC(=O)C1CCN(c2nccnc2C2CN(c3ccc4ccccc4n3)C2)CC1	140120941	RDISXHYFVLOZDN-UHFFFAOYSA-N	388.475	2.330	0	1	GEAF	
NC(=O)c1cc(C(=O)N2CCC2)cc2c1-c1ccccc1[C@]2(O)C(F)(F)F	144735719	BNKOVSSSFWJDGP-GOSISDBHSA-N	376.334	2.410	0	1	GEAF	
CS(=O)(=O)N1CCCCN2[C@H](CO)[C@@H](c3ccc(C4=CCCC4)cc3)[C@H]2C1	95874371	OWYGSFSXNSOHTM-NJYVYQBISA-N	390.549	2.438	0	1	GEAF	
COC(=O)[C@@H]1C[C@]2(CCN1C)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1	587582203	KQOJJRWCALYHET-OXTHUFEASA-N	383.400	2.360	0	1	GEAF	
COC(=O)[C@H]1N(C(=O)OC(C)(C)C)CC[C@]12CC(=O)c1cc(C)cc(N)c1O2	587397327	ZTRKZEAVINCCJO-UZLBHIALSA-N	390.436	2.464	0	1	GEAF	
CC(C)n1cc(C(=O)c2ccnc(NC(=O)Cn3cncn3)c2)c2cnccc21	1772611062	AGRWFNMMMZSZPO-UHFFFAOYSA-N	389.419	2.473	0	1	GEAF	
CO[C@@H]1O[C@H](C)[C@H](NC(=O)OCC(Cl)(Cl)Cl)[C@H]2OC(C)(C)O[C@H]12	5848255	YFKJKRUBPJRRGY-MQIGXGKASA-N	392.663	2.363	0	1	GEAF	
CNc1nc(Nc2ccc(-c3cnco3)c(OC)c2)nc(N2CCOCC2)n1	13445202	SOMMMZZJMNFTSN-UHFFFAOYSA-N	383.412	2.157	0	1	GEAF	
COc1cc2c(cc1OC)[C@]13CCN4C[C@@H]5CCO[C@@H]6CC(=O)N2[C@@H]1[C@@H]6[C@@H]5C[C@@H]43	169366690	BETNIDISFVHOSJ-AEERYYRTSA-N	396.487	2.190	0	1	GEAF	
N#CN1CC[C@@H](NC(=O)N2CCCN(Cc3c(F)cccc3Cl)CC2)C1	1857551427	LUFGRXSXJCXLMP-CQSZACIVSA-N	379.867	2.252	0	1	GEAF	
N#Cc1ncc2nc1OCCC=CCOc1ccc(CCO)cc1NC(=O)N2	253660082	MKXGPXQGVLODEW-UHFFFAOYSA-N	381.392	2.245	0	1	GEAF	
C[C@H]1CNCCN1c1nc2c(C(=O)N[C@H]3C[C@@H]4CCC[C@H](C3)N4C)cccc2o1	103266989	QWZXRDUZUQKTLV-LUKYLMHMSA-N	397.523	2.371	0	1	GEAF	
COc1cc2c(cc1OC)[C@@]13CCN4CC5=CCO[C@@H]6CC(=O)N2[C@@H]1[C@H]6[C@@H]5C[C@@H]43	102382211	RRKTZKIUPZVBMF-BYQRLGLASA-N	394.471	2.110	0	1	GEAF	
CC(C)n1c(=O)c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3CCO)cc2ccccc21	101806894	MIEQAWKQDMBOLO-BCDXTJNWSA-N	383.492	2.300	0	1	GEAF	
S=C(NCc1ccco1)NC[C@H]1C[C@H]2CCN1C[C@H]2CN1CCCCC1	2356298463	DTHRTXROSODHPY-KZNAEPCWSA-N	376.570	2.440	0	1	GEAF	
COc1ccc(CN[C@@H]2C[C@H](O)[C@@H](CO)[C@@H]2Cc2ccnc(C(C)(C)C)n2)cc1	2356499748	JKTOMNQSHFGRPL-BURNTYAHSA-N	399.535	2.473	0	1	GEAF	
NS(=O)(=O)c1ccc(-n2cc(-c3ccccc3)c3c2ncn2ncnc32)cc1	29132276	ZJBGXHKPVTTWOH-UHFFFAOYSA-N	390.428	2.383	0	1	GEAF	
NC1=N[C@]2(CO1)c1cc(-c3cc(Cl)cnc3F)ccc1OCC21COC1	220713319	OXWANDFSWNCOLM-GOSISDBHSA-N	375.787	2.490	0	1	GEAF	
Cn1c(=O)c(Oc2ccc(F)cc2F)cc2cnc(N3CCC[C@H](O)C3)nc21	653794484	DCUTZQNQYYZEMU-ZDUSSCGKSA-N	388.374	2.360	0	1	GEAF	
NS(=O)(=O)c1cccc2nc([C@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c12	587074972	AFWMFBJYQUONRK-CYBMUJFWSA-N	376.825	2.481	0	1	GEAF	
COc1cc2c3c(c1)O[C@@]1(CN(Cc4ccccc4)C[C@H]1C(=O)O)[C@@H](C2)C3=O	587438704	QRODMCUBSZITHQ-HOIFWPIMSA-N	379.412	2.398	0	1	GEAF	
Cc1c2c(nn1C)[C@](CCCC(=O)O)(c1cc(F)cc(F)c1)N[C@@H](C(=O)O)C2	962703490	CCRQTZQQHSZEQH-BEFAXECRSA-N	393.390	2.104	0	1	GEAF	
COc1cccc2c3c(cnc12)CCNC31CCN(CCN2CCOCC2)CC1	963040476	XBIBJFWPNDHVKW-UHFFFAOYSA-N	396.535	2.012	0	1	GEAF	
COc1ccc2c3c([nH]c2c1)[C@@H]1C[C@H]2[C@H](C[C@H](O)[C@@H](OC)[C@H]2CO)CN1CC3	13145027	YCLAQLTVHNAEEQ-ICJLXWCZSA-N	386.492	2.100	0	1	GEAF	
CCOC(=O)[C@H]1[C@H](c2ccc(OCC)cc2)[C@@H](C(=O)OCC)C(=O)C[C@@]1(C)O	169298788	SYMQGPSLVUNGPV-BMQTXXJKSA-N	392.448	2.251	0	1	GEAF	
COCC(=O)N[C@@H]1[C@@H](c2cccs2)N(C(=O)c2ccccc2)CC[C@]1(C)O	2356317917	ANMPKRCINWTSOT-GGPKGHCWSA-N	388.489	2.218	0	1	GEAF	
COc1ccc(O[C@@H]2COCCN(S(=O)(=O)c3ccc(F)cc3)C2)cc1	2356300869	ZDYHMIISQLNBPO-KRWDZBQOSA-N	381.425	2.303	0	1	GEAF	
C=c1cc2c(o1)=C[C@@H]1[C@@H]([C@@H]2C)[C@H](O)C[C@]2(O)C(C)(C)CC[C@H](OC(C)=O)[C@]12C	2356459976	GKDZFZCQXJRZKI-VESQCBGJSA-N	388.504	2.074	0	1	GEAF	
CC(C)NC(=O)N1CCN2[C@H](C1)CN(C(=O)c1ccccc1F)CC2(C)C	2356702542	IXXNCZQMAFSZRM-OAHLLOKOSA-N	376.476	2.164	0	1	GEAF	
C[C@@H]1N[C@H](CCCCCCCCC[C@H](O)CC(=O)O)[C@@H](N2CC=NC2)C[C@@H]1O	2356840403	MQJRCFDXPXHVHL-KNJMJIDISA-N	397.560	2.157	0	1	GEAF	
Cc1cccc(S(=O)(=O)NC(=O)[C@]2(C)CCN2C(=O)c2sccc2C)c1	61925897	YAMILQMPRYJNLX-SFHVURJKSA-N	392.502	2.475	0	3	GEAF	
C[C@@H](Cn1cc(Cl)cn1)n1cnc2cc3c(cc2c1=O)O[C@@H]1CCCN1C3=O	72127919	GAKVZVWHPFLZKE-APPDUMDISA-N	399.838	2.462	0	1	GEAF	
Cc1nc2c(c(-c3ccc(Cl)cc3Cl)c1CN)CN(CC(N)=O)C2=O	73326753	OAPPTAHHCBBEDY-UHFFFAOYSA-N	379.247	2.264	0	1	GEAF	
Nc1ncnc2c1nc(-c1ccc(P(=O)(O)O)o1)n2CCC1CCCCC1	40897780	PLADTCGAPNGDIM-UHFFFAOYSA-N	391.368	2.442	0	1	GEAF	
O=C(NCc1ccccc1)O[C@H]1CO[C@@H]2[C@H](OC(=O)c3ccc(O)cc3)CO[C@H]12	45284273	LAXVOEZLYBXGCB-FCGDIQPGSA-N	399.399	2.010	0	1	GEAF	
CCN(CC)CC(=O)Nc1ccc([C@@]2(c3ccccc3)NC(=O)NC2=O)cc1	45354001	YMXMLVAOTMWZNX-OAQYLSRUSA-N	380.448	2.050	0	1	GEAF	
Cc1nc(N2CCc3c(ccc(O)c3C=O)C2)sc1C(=O)N1CCOCC1	221062135	CHSNHXUUPGPISH-UHFFFAOYSA-N	387.461	2.005	0	1	GEAF	
CCCN1[C@@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@H]1[C@@H](C(=O)NCC)[C@@H]2CO	95879391	XKGIUNJFUAFPFC-PBASOCQRSA-N	399.535	2.315	0	1	GEAF	
NC/C=C/c1cnc(NC(=O)c2cc(Br)c(Br)[nH]2)[nH]1	140182381	JFUKCDVDKWZMFY-OWOJBTEDSA-N	389.051	2.487	0	1	GEAF	
COc1ccccc1-n1c(C)nc2ccc(C(=O)c3cnn(C)c3O)cc2c1=O	299837308	PXXXUGVUORORLJ-UHFFFAOYSA-N	390.399	2.373	0	1	GEAF	
COc1ccc(S(=O)(=O)N[C@@H](c2nc3cccc(C)c3[nH]2)[C@@H](C)O)cc1	586937318	SRDWQQDCFBKCKE-SJKOYZFVSA-N	375.450	2.280	0	1	GEAF	
COC(=O)[C@H](C[C@]1(c2cccnc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3)N=O	587436323	NVXZSVFQRJXXSD-QEEYODRMSA-N	382.372	2.431	0	1	GEAF	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](CCCNS(C)(=O)=O)N1	587839830	IUSHOQKFRKZKEZ-LKFCYVNXSA-N	379.295	2.493	0	1	GEAF	
c1cnc(Nc2ncnc3ccc(-c4ccnc(N5CCOCC5)n4)cc23)nc1	1857629491	GAOSROPPASDHQN-UHFFFAOYSA-N	386.419	2.457	0	1	GEAF	
CCc1ccc(NC(=O)Cn2nnc(C(=O)Nc3ccc(F)cc3)c2N)cc1	6999154	FETJJKZKFNYESR-UHFFFAOYSA-N	382.399	2.453	0	1	GEAF	aggregator
CCS(=O)(=O)c1ncc(CN(C)Cc2cnccn2)n1CCc1ccccc1	55131675	PEAZZAYWURZZDC-UHFFFAOYSA-N	399.520	2.341	0	1	GEAF	
NC(=O)C[C@H]1CC[C@H](c2ccc(N3CCOc4ncnc(N)c4C3=O)cc2)CC1	101693295	NCMANXCQHVNYDA-OKILXGFUSA-N	395.463	2.247	0	1	GEAF	
COc1cccc(C(=O)N2C[C@H]3CN(c4nc(C)cc(C)n4)C[C@@H]3C2)c1OC	116822073	VKFALDZKVNVMTL-HOTGVXAUSA-N	382.464	2.319	0	1	GEAF	
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CC[C@@]4(CCCN4)C3)c(F)c21	26379093	KILPKWZYXYDPII-IBGZPJMESA-N	377.391	2.330	0	1	GEAF	
COCC=C1CN2[C@H]3C[C@@]45C(=Nc6cc7c(c(OC)c64)OCO7)OC[C@H]3[C@H]1C[C@@H]25	2356490088	WMCCCBHUPACQNU-BGGBXLTRSA-N	396.443	2.401	0	1	GEAF	
Cc1cncc(-c2cc3c(cn2)cnn3-c2cccc(N3CCN[C@@H](C)C3)n2)n1	211050363	BVSPZNRNBYKDLE-HNNXBMFYSA-N	386.463	2.379	0	1	GEAF	
O=C(NCc1ccc(S(=O)(=O)c2ccccc2)cc1)c1ccc2nncn2c1	96282784	PAQFKPYHUCJENG-UHFFFAOYSA-N	392.440	2.492	0	1	GEAF	
Oc1nc(N2CCOCC2)nc(N[C@@H]2CCNC2)c1-c1nc2ccccc2s1	473113272	IGJWOWPLWVZDRD-GFCCVEGCSA-N	398.492	2.069	0	1	GEAF	
CNCC(=O)OCc1ccc([C@H](CN)C(=O)Nc2ccc3cnccc3c2)cc1	653708456	IWGHQMVRGOZVOW-FQEVSTJZSA-N	392.459	2.178	0	1	GEAF	
CCS(=O)(=O)c1ccc2nc(CS(=O)(=O)NC3CCC(C)CC3)[nH]c2c1	586952627	KAKPPVPGPDABKV-UHFFFAOYSA-N	399.538	2.355	0	1	GEAF	
COc1ccc(S(=O)(=O)N[C@@H](c2nc3ccc(F)c(C)c3[nH]2)[C@H](C)O)cc1	586935206	COIKBSBNNPSMLF-APPDUMDISA-N	393.440	2.419	0	1	GEAF	
O=C(C[C@@H]1C(=O)NCCN1CC1CCCCC1)NCc1ccc(F)cc1F	11934248	CFELJVXJCHXAFB-GOSISDBHSA-N	379.451	2.352	0	3	GEAF	
Cc1ccc(NC(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(Cc5cccnc5)C(=O)[C@@H]24)O3)cc1F	169294008	MHLHARLAZLJYDT-VWNVYAMZSA-N	393.418	2.450	0	1	GEAF	
CN(CCN1CCN(c2ccccc2)CC1)c1cccc(NS(C)(=O)=O)c1	169331285	VXCNNPNSVWKPSA-UHFFFAOYSA-N	388.537	2.317	0	1	GEAF	
COc1cccc(C2=N[C@](C)(CC(=O)NCc3ccc4c(c3)OCO4)ON2C)c1	205221351	TWWCDLIZGDRANZ-NRFANRHFSA-N	397.431	2.470	0	3	GEAF	
CCO[C@]12[C@@H]3CC(=O)N4c5ccccc5[C@]5(CCN6CC(=CCO3)[C@H]1C[C@H]65)[C@@H]42	2356427350	WZEMGGLCLHIQAS-IDERAPFOSA-N	378.472	2.252	0	1	GEAF	
COC(=O)[C@H]1[C@H]2CN3Cc4[nH]c5ccc(OC)cc5c4C[C@@H]3C[C@H]2CC[C@H]1O	2356742296	IJSBYCUQBXKLMJ-ARIPUDGTSA-N	384.476	2.483	0	1	GEAF	
C=C(CO)[C@@H]1Cc2c(ccc3c2O[C@@H]2COc4cc(O)c(OC)cc4[C@@H]2C3=O)O1	14420776	ABUBWVZSQKAKIK-DBVUQKKJSA-N	396.395	2.373	0	1	GEAF	biogenic
N=C(N)c1ccc(C2=NO[C@H](CC(=O)N3CCCCC[C@H]3CC(=O)O)C2)cc1	140482375	BJLCXFCSMAAMCW-HOTGVXAUSA-N	386.452	2.100	0	1	GEAF	
OC[C@H]1[C@@H](c2ccccc2)C2(CN(Cc3ccccn3)C2)N1Cc1cncnc1	95796601	WURJDUNUSFAORT-FCHUYYIVSA-N	387.487	2.087	0	1	GEAF	
O=C(C1CCC1)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)Cc1ccccn1	95893495	QWGSTTYRPHGXAL-JAXLGGSGSA-N	391.471	2.126	0	1	GEAF	
CCS(=O)(=O)NC[C@H]1[C@@H](c2ccccc2)[C@@H](CO)N1CC1CCCCC1	95798286	NGDFBFJNSVZXKK-XUVXKRRUSA-N	380.554	2.335	0	1	GEAF	
CC(C)C(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)O)O[C@H]1CO2	95891912	JZXHOMCODGESNA-UNEWFSDZSA-N	390.436	2.136	0	1	GEAF	
C[C@@H](Oc1ccccc1)C(=O)NCc1nc2nc(Br)c[nH]c-2n1	587224816	KIOAUPYMNSTOIQ-SECBINFHSA-N	376.214	2.151	0	1	GEAF	
COc1ccc(OC)c2c1C[C@@H](C)N[C@]2(C)c1ccc(-[n+]2cc(=O)o[nH]2)cc1	963636469	RBJVPRYJQKHEMP-LRTDBIEQSA-O	382.440	2.060	0	1	GEAF	
CCOC(=O)[C@@H]1CCNC(=O)[C@]12c1ccsc1CCN2Cc1cccnc1	962999324	XOZJSJFVWLERNS-JXFKEZNVSA-N	385.489	2.096	0	1	GEAF	
O[C@@H](CNC[C@H]1CC[C@H](c2nnn3cnc4[nH]ccc4c23)CC1)C(F)(F)F	1772631160	HRCVWKBCORXYFS-GVXVVHGQSA-N	382.390	2.392	0	1	GEAF	
COC(=O)/N=c1/[nH]c2ccc(Oc3ccc4[nH]/c(=N\C(=O)OC)[nH]c4c3)cc2[nH]1	13005021	CTIKCTPWGUDEDX-UHFFFAOYSA-N	396.363	2.432	0	1	GEAF	
NC(=O)c1ccc(N[C@@H]2CCCC[C@@H]2N)nc1Nc1cccc(-n2nccn2)c1	168171370	CAPOVEGNVPHPNW-DLBZAZTESA-N	392.467	2.187	0	1	GEAF	
COC(=O)[C@@]12CCCCC3=C1N(CCC3)C(=O)[C@H]2CC(=O)N1CCSCC1	203468999	HOJQSTVXCBGVOD-FOIQADDNSA-N	392.521	2.192	0	3	GEAF	
O=C(/C=C/c1ccc2ccccc2c1)N[C@H](CCC(=O)N1CCOCC1)C(=O)O	1857572095	YPETVRDSRIAFAE-MBNRZODZSA-N	396.443	2.061	0	1	GEAF	
COc1ccc2[nH]c(C(=O)N3CCN(CCOc4cccnc4)CC3)cc2c1	205942582	YXMNLDHKEGETAO-UHFFFAOYSA-N	380.448	2.408	0	1	GEAF	
O[C@@H]1CC[C@@H](Cc2cc(-c3ccc(F)cc3)on2)O[C@H]1CNC1CCNCC1	2356287601	MHAOBVGBIOTXFM-ZVDOUQERSA-N	389.471	2.273	0	1	GEAF	
O=C(Nc1nnc([C@@H]2C[C@H](O)[C@@H](CO)O2)s1)Nc1cccc2c1CCCC2	61908143	UVXVGPCYBHTASN-SOUVJXGZSA-N	390.465	2.244	0	3	GEAF	
CC(=O)NCCCN1CCn2cc(C(=O)O[C@@H](C)C(C)(C)C)c(C)c2C1=O	28571135	VLNWRTWZCHZUPM-AWEZNQCLSA-N	377.485	2.370	0	1	GEAF	
CC[C@]1(O)CC(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2C=O	29126979	TZVGQMPCPAHRBD-QFIPXVFZSA-N	390.395	2.282	0	1	GEAF	
O=C(C1CCCCC1)N1CCN2C(=O)N(CCc3cccs3)C(=O)[C@H]2C1	5434115	RUEHYEDKJPDLBJ-MRXNPFEDSA-N	375.494	2.346	0	1	GEAF	biogenic
COC(=O)C[C@@H]1CC[C@@H](NC(=O)Nc2ccc(C(F)(F)F)cc2)[C@@H](CO)O1	95675891	HFDKIVHAHGCNSH-BFHYXJOUSA-N	390.358	2.299	0	1	GEAF	
CN(C)S(=O)(=O)c1ccc2nc(CSc3ncccc3C(=O)O)[nH]c2c1	586967785	FBUUYEZPLGVAOO-UHFFFAOYSA-N	392.462	2.199	0	1	GEAF	
COc1cc2c3c(c1)O[C@](C(=O)O)(c1ccc4c(c1)CCC(=O)N4)[C@@H](C2)C3=O	587438684	HIBCCDZALVBVLD-LHSJRXKWSA-N	379.368	2.307	0	1	GEAF	
COc1cc2c3c(c1)O[C@]1(C(=O)Nc4ncc(Br)cc41)[C@@H](C2)C3=O	587419785	ZNUWKWKRFJFSPP-DYZYQPBXSA-N	387.189	2.448	0	1	GEAF	
N[C@@H](CSCC(=O)NCc1ccc(-c2ccc(F)cc2F)cc1)C(=O)O	584905003	OVDOQIXQRGSAFH-INIZCTEOSA-N	380.416	2.393	0	1	GEAF	in-vitro
NC(=O)N1CCCc2cc(-c3cncc(C4=CCS(=O)(=O)CC4)c3)cnc21	1772654328	SKGKFOJWYIAHPF-UHFFFAOYSA-N	384.461	2.177	0	1	GEAF	
Cc1ncc([C@@H]2CCN(C(=O)OC3[C@H]4CC5C[C@H]3CC(C(N)=O)(C5)C4)C2)cn1	1772636151	TZPRKTMMSOWSCM-KAJXUDMZSA-N	384.480	2.391	0	1	GEAF	
COC(=O)Cc1ccc(OC[C@@H](O)CN2CCN(c3ccc(C)cc3)CC2)cc1	1857641213	DMFWXZVPQGEGSB-NRFANRHFSA-N	398.503	2.272	0	1	GEAF	
C[C@@H]1C[C@@H](C)CN(C(=O)[C@@H]2CCCN2c2nnc(N3CCCC3=O)s2)C1	6798698	MEEBRGIODCIWRH-MCIONIFRSA-N	377.514	2.138	0	1	GEAF	
N[C@H](C(=O)N1CC[C@@H](F)C1)[C@H]1CC[C@H](NC(=O)c2ccc(F)c(F)c2)CC1	100772227	UUCMWQOGZNNWGQ-CVGURMSBSA-N	383.414	2.151	0	1	GEAF	
O=C(NCc1cccnc1)c1cc([C@H]2CCCN(C(=O)c3ccccn3)C2)on1	61896555	XSQMACCHHKXHCI-INIZCTEOSA-N	391.431	2.414	0	3	GEAF	
COc1ccc2c(c1OC)[C@H](N1CCc3cc4c(cc3C1=O)OCO4)OC2=O	1563227	XSCQOQQIGQZNLI-LJQANCHMSA-N	383.356	2.300	0	1	GEAF	biogenic
C[C@@H](C(=O)NC1[C@H]2CC3C[C@@H]1CC(O)(C3)C2)N1CC(Oc2ccccc2F)C1	35087393	XNSQYEZFDGACIR-FBSWGNHWSA-N	388.483	2.333	0	1	GEAF	
Nc1cccc2nc(C(=O)N3CCN(CCc4ccc(F)cc4F)CC3)cn12	73297248	CUHUXDJQZFAQIK-UHFFFAOYSA-N	385.418	2.195	0	1	GEAF	
COc1ccc(C[C@@]2(O)C(=O)OC[C@H]2Cc2ccc3c(c2)OCO3)cc1OC	14646943	XQAPIFWFLMEZDZ-VFNWGFHPSA-N	386.400	2.122	0	1	GEAF	biogenic
CC(=O)N1CCC[C@H](c2cccnc2OC2CN(C(=O)c3ccc(C)nc3)C2)C1	96168925	YQTJBYMARMXBEN-SFHVURJKSA-N	394.475	2.414	0	1	GEAF	
O=C(Nc1ccccc1F)N[C@H]1CC[C@H](CC(=O)N2CCCCC2)O[C@H]1CO	95675434	QWOFJLPZBFRYTI-JLSDUUJJSA-N	393.459	2.258	0	1	GEAF	
CC(C)NC(=O)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2Cc1cccnc1	95794437	ZWLPDUFUZNOPDM-WOJBJXKFSA-N	380.492	2.214	0	1	GEAF	
C[C@@]12[C@H]3CC[C@]4(C)C(C5=CC(=O)OC5)=CC[C@]4(O)[C@@H]3CC[C@@H]1C[C@@H](O)C[C@H]2O	255277835	WRKFAUIZIHPQGB-FFVZPOFASA-N	388.504	2.495	0	1	GEAF	
CCCCCOc1cc2nc([C@H](O)[C@@H](O)C(=O)O)[nH]c2cc1Br	586890122	NLPAZKICAAEULU-CHWSQXEVSA-N	387.230	2.373	0	1	GEAF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)O)(c2csc(N)n2)N1	587853333	PXPLVKJXZCNLGY-RWBAJPLHSA-N	386.246	2.489	0	1	GEAF	
CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc([C@@H](O)CNC2CCCC2)c1	1772653687	NJYVMMACYXUWLA-KRWDZBQOSA-N	379.457	2.373	0	1	GEAF	
C=c1[nH]n(-c2ccccc2)c(=O)/c1=C1\C=C(C)N(c2ccc(OC)cc2)C(=O)O1	169727391	HXSVRDFCYSITGL-FMQUCBEESA-N	389.411	2.253	0	1	GEAF	
COc1ccc(Oc2ncc(OC)cc2-c2n[nH]c(S(C)(=O)=O)n2)cc1	1857637232	YADNLIZIRQLTPB-UHFFFAOYSA-N	376.394	2.080	0	1	GEAF	
Cc1ccc2c(c1)c1c(c(=O)n(-c3cccc(Cl)c3)c(=O)n1CC(N)=O)n2C	6900366	ARTQXDNDPCXNDF-UHFFFAOYSA-N	396.834	2.091	0	1	GEAF	
COCC[C@@H](CC1(C(=O)NC2(CO)Cc3ccccc3C2)CCCC1)C(=O)O	28639885	GQXPQLZHUYKTKG-SFHVURJKSA-N	389.492	2.320	0	1	GEAF	
Cc1cc(C)c2c(=O)n(CC(=O)N3CCN(Cc4ccccc4)CC3)sc2n1	20355524	BETLEKBGRSYCNS-UHFFFAOYSA-N	396.516	2.419	0	1	GEAF	
O[C@@H]1[C@H](NCc2cccs2)[C@H]2CO[C@@H](O2)[C@H]1n1cc(-c2ccccc2)cn1	2356579760	IXUFTSMELUWOJN-OBKDMQGPSA-N	383.473	2.427	0	1	GEAF	
CCCNC(=O)CC1CCN(c2nc(N)c3cc(OC)c(OC)cc3n2)CC1	25967580	LJRFIWIVFLBBPS-UHFFFAOYSA-N	387.484	2.362	0	1	GEAF	
CN(CCc1ccccn1)C[C@H]1CN2CC[C@H]1C[C@H]2CNC(=O)c1ccco1	2356742140	VZVBPKHDCHCPJY-BJLQDIEVSA-N	382.508	2.289	0	1	GEAF	
C[C@@H](CCCN1C(=O)CC(C)(C)CC1=O)N1CCN(c2ncc(F)cn2)CC1	29462142	SOXNWHSPEFIWGX-HNNXBMFYSA-N	391.491	2.082	0	1	GEAF	
COc1cccc(N2C(=O)[C@H]3CN(C(=O)NC4CCCCC4)CCN3C2=O)c1	8295672	UYAZQQOTLZOLRD-QGZVFWFLSA-N	386.452	2.190	0	1	GEAF	biogenic
CN1O[C@@H](c2ccccc2)[C@H](C(=O)c2cc(O)ccc2O)[C@H]1P(=O)(O)O	71329585	QHWYHCJFDMCULK-BHYGNILZSA-N	379.305	2.019	0	1	GEAF	
C[C@@H](NC(=O)OCc1ccccc1)[P@](=O)(O)C[C@H](CCC(=O)O)C(=O)O	96902439	PBRHWMMNEISHGS-AAEUAGOBSA-N	387.325	2.095	0	1	GEAF	
O=C(N[C@@H]1C[C@@H](C(F)(F)F)CNC1=O)c1nn(-c2ccccc2)c2c1CCC2	618014028	KRKBKLQTTSUTLY-BXUZGUMPSA-N	392.381	2.158	0	1	GEAF	
COC(=O)c1ccc2nc([C@H](C)NC(=O)c3cc4c(C)nn(C)c4s3)[nH]c2n1	587039386	XGBHSMLRVFCKHK-VIFPVBQESA-N	398.448	2.492	0	1	GEAF	
COc1cc2c(cc1OC)[C@]13CCN4CC(=CCO)[C@@H](C[C@H]41)[C@H]1CCC(=O)N2[C@@H]13	2356353355	MTGBFCBIKBUQGV-SBJJDLSBSA-N	396.487	2.093	0	1	GEAF	
CN1CCN(c2ncnc3ccc(-c4cccc(NS(C)(=O)=O)c4)cc23)CC1	4257390	JEYAABFEDXPSPW-UHFFFAOYSA-N	397.504	2.420	0	1	GEAF	
Cc1c(C)c2c(c(C)c1O)[C@@H](C(=O)OCCN1CCN(C)CC1)C(C)(C)O2	22934311	JLSRJTSXUZBNEX-KRWDZBQOSA-N	376.497	2.363	0	1	GEAF	
CN(Cc1ccccc1)C(=O)c1ccc2[nH]c([C@H]3C[C@H](O)[C@@H](CO)O3)nc2c1	61927707	FZMQHIQKIFRAQV-IPMKNSEASA-N	381.432	2.018	0	3	GEAF	
C[C@]1(C(=O)NS(=O)(=O)c2ccc(F)cc2F)CCN1C(=O)c1ccccc1	61908540	FATNPXOSZHHVQB-GOSISDBHSA-N	394.399	2.075	0	3	GEAF	
CSc1cccc(NC(=O)N[C@@H]2CCN3C(=O)[C@H](C(C)C)NC(=O)[C@@H]3C2)c1	2356738495	JFSQUUGWXKCLSP-KBMXLJTQSA-N	390.509	2.044	0	1	GEAF	
O=C(O)CCCN1Cc2ccc(NC(=O)c3ccc4c(c3)CNCC4)cc2C1=O	72105142	AUYINRKEPFMZCG-UHFFFAOYSA-N	393.443	2.405	0	1	GEAF	
N=C1N[C@H]2n3c(cc(Br)c3-c3ccccc3)C(=O)N3CCC[C@]23N1	40918748	XLKCOBAGHSIJLY-DOTOQJQBSA-N	386.253	2.490	0	1	GEAF	
Cc1cnnc(-c2ccc3c(c2)[C@@]2(COC(N)=N2)C2(COC2)C2(CCC2)O3)c1	220715078	CENZKPKDVOYGAD-NRFANRHFSA-N	378.432	2.324	0	1	GEAF	
COc1ccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N)nc3n2)cc1CO	143830393	KIQXAHPTJTVGOA-LBPRGKRZSA-N	381.436	2.000	0	1	GEAF	
COC(=O)C(C(=O)OC)c1ccccc1NS(=O)(=O)c1ccc(C)cc1	95571483	DZSACHLWFSNVTI-UHFFFAOYSA-N	377.418	2.225	0	3	GEAF	
O=C([C@@H]1CCCO1)N1CCC2(CC1)N[C@H](C(=O)C(F)(F)F)Cc1ccccc12	962774904	YLSCZAAIVXIGRB-HOTGVXAUSA-N	396.409	2.329	0	1	GEAF	
Cc1nn(-c2ncnc3[nH]cnc23)c2c1[C@@H](OCCc1ccccc1)CC(=O)N2	1772588071	ONCJFFIPXHCONB-AWEZNQCLSA-N	389.419	2.490	0	1	GEAF	
CCOC(=O)C1(Cc2ccccc2C(F)(F)F)CCN(C[C@@H](O)CO)CC1	13595606	JKGPQNPPDPPKEV-OAHLLOKOSA-N	389.414	2.246	0	3	GEAF	
O=C(NC[C@H](c1cnc(C(F)(F)F)nc1)N1CCOCC1)c1ccccc1F	207613146	OFESHNLAADBNNP-OAHLLOKOSA-N	398.360	2.438	0	1	GEAF	
CCNC(=O)Nc1nc2cc(-c3cccnc3)c(=O)n([C@H](C)C(=O)O)c2s1	103263646	XGAMHWBNQFNHNU-SECBINFHSA-N	387.421	2.307	0	1	GEAF	
COc1ccc(CNC[C@H](O)COc2ccc3ccc(=O)[nH]c3c2)cc1OC	27183479	ATYVRNLUODLHSY-INIZCTEOSA-N	384.432	2.075	0	1	GEAF	
Cc1cc(O)c2c3c1[C@H](O)C=C1C(C)(C)C(=O)c4c(O)cc(O)c(c4[C@]13O)C2=O	2356574824	OKCBDYXNYLOVEE-XFNZEKPQSA-N	394.379	2.088	0	1	GEAF	
COc1cccc(OCc2nnc(SCC(=O)Nc3cc(C)on3)n2C)c1	35288947	QFQZSPDYOZLIIF-UHFFFAOYSA-N	389.437	2.430	0	1	GEAF	
COCCn1cc(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)c(OC)n1	1911580572	VETLYCXFSXJTQA-UHFFFAOYSA-N	385.428	2.025	0	1	GEAF	
NC1=N[C@@]2(CO1)c1cc(-c3cc(Cl)cnc3F)ccc1OCC21COC1	220713251	OXWANDFSWNCOLM-SFHVURJKSA-N	375.787	2.490	0	1	GEAF	
C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(C)=O)[C@H]2CNC(=O)c2ccncc2)cc1	95895137	WPDUKSWRCNVHDG-ORIMYKCESA-N	379.460	2.220	0	1	GEAF	
O=C(Cc1ccc2c(O)nc(O)nc2n1)Nc1ccccc1Br	587367562	YWQMOLTVFHXYTC-UHFFFAOYSA-N	375.182	2.380	0	1	GEAF	
CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3nccc(C(=O)OC)c3[nH]2)cc1	586937409	DBZPZQMHAWUYNR-LLVKDONJSA-N	388.449	2.488	0	1	GEAF	
COc1ccn2c(c1)nc1c2c(=O)n(CC2CC2)c(=O)n1CCc1ccccc1	1772623967	IWWFTXRWXXTZLE-UHFFFAOYSA-N	390.443	2.472	0	1	GEAF	
NC(=O)c1cc(-c2cn3cc(I)ccc3n2)ccc1O	1772641320	QKFQJTRABAAEKS-UHFFFAOYSA-N	379.157	2.410	0	1	GEAF	
O=C1C[C@]2(C(=O)N1)c1ccccc1S(=O)(=O)N2Cc1ccc2ccccc2c1	13651437	SSBKQAHZJKIYDC-OAQYLSRUSA-N	392.436	2.286	0	1	GEAF	
CC1(C)CC(NC(=O)CC(=O)NC2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1	1510051	XYZPRUHHWDLWKY-UHFFFAOYSA-N	380.577	2.227	0	1	GEAF	
COCCOC[C@H](CC1(C(=O)N[C@H]2CC[C@@H](C(=O)O)CC2)CCCC1)C(=O)O	100064727	ACZWIDANLCXHBM-JYJNAYRXSA-N	399.484	2.060	0	1	GEAF	in-man
CCOc1cc(OCC)nc(NC(=S)NC(=O)c2cccnc2Cl)n1	28565244	BXJKLXTXWNJNEO-UHFFFAOYSA-N	381.845	2.449	0	1	GEAF	
C[C@@H](O)c1c(-c2ccc(Cl)cc2)noc1C(=O)NCCN1CCOCC1	2356294560	PZPSRKHBMFRWIX-GFCCVEGCSA-N	379.844	2.110	0	1	GEAF	
CC[C@H](C)[C@@]1(OC)NC(=O)[C@H](C(C)C)n2c1nc1c(c2=O)C=C(OC)C=CO1	2356850181	QAGOKKIRIONYAD-LCMPSIMXSA-N	389.452	2.309	0	1	GEAF	
COc1ccc2[nH]c3c(c2c1)CCN1C(=O)CN(CCCOC(C)C)C(=O)[C@@]31C	2100776	JIMDVUMCMNDWJB-JOCHJYFZSA-N	399.491	2.434	0	1	GEAF	biogenic
C[C@@H]1CCCC[C@H]1C(=O)N1CCN(c2ccc(C(=O)NCCC3CC3)nn2)CC1	95593648	RIKHYRIMBJOBEB-SJLPKXTDSA-N	399.539	2.481	0	1	GEAF	
O=C(C[C@H]1CC[C@H](NC(=O)C2CCC2)[C@H](CO)O1)NCc1ccccc1Cl	95905111	DLKBRBFAHGAPTH-NJAFHUGGSA-N	394.899	2.171	0	1	GEAF	
CCO/C(O)=C1\C(C)=NC(=S)N[C@@H]1c1ccc(OCC(=O)OC)c(OC)c1	617968700	JQFLMTLQINANGG-IBOXJLQUSA-N	394.449	2.443	0	1	GEAF	
COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2nc(Br)c[nH]c-2n1	587232282	VTYSTZFBGPONDA-NXEZZACHSA-N	382.262	2.103	0	1	GEAF	
CN1C(=O)[C@@H](NC(=O)c2cc(Cc3ccccc3)n(C)n2)COc2ccccc21	1772599674	YHGUHKWOKRNNEY-SFHVURJKSA-N	390.443	2.165	0	1	GEAF	
CCOc1ccnc2nc(O)n(-c3nc(N4CCCNCC4)ccc3Cl)c12	1772614060	AICHKJMBUHVCCJ-UHFFFAOYSA-N	388.859	2.373	0	1	GEAF	
O=C(Nc1cc(Cl)ccc1N1CCC[C@H](CO)C1)c1cnn2nccnc12	1772645576	RWBHZRIUSNZKMG-LBPRGKRZSA-N	386.843	2.239	0	1	GEAF	
CCOC(=O)[C@H]1[C@@H](NC(N)=O)N(Cc2ccccc2)C(=O)N1Cc1ccccc1	1625721	QUAHIQSUJSPESD-MSOLQXFVSA-N	396.447	2.051	0	1	GEAF	
Cc1cc(C)n(-c2ccc(C(=O)OCn3nnc4ccccc4c3=O)cc2)n1	2662257	RKIDQOJXEHEKOH-UHFFFAOYSA-N	375.388	2.409	0	3	GEAF	
COc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cccnc3)C2)cc1	4057619	CSJQDZLYQNEUTG-AWEZNQCLSA-N	375.450	2.130	0	3	GEAF	
Cc1ccnc(NC(=O)C2CCC(CNc3c(N4CCCC4)c(=O)c3=O)CC2)c1	104038756	GNLBKXSYSPDAPW-UHFFFAOYSA-N	396.491	2.443	0	3	GEAF	
Cc1ccc(N2C[C@@H]3CCN(C(=O)c4cc(F)ccc4-n4nccn4)C[C@@H]32)nc1	116826038	LRUPPXLBYVSMRB-KXBFYZLASA-N	392.438	2.461	0	1	GEAF	
Cc1ccccc1C(=O)n1c(=O)c(F)cn(C(=O)OCc2ccccc2)c1=O	28762341	AZMVHEKWZHBQAN-UHFFFAOYSA-N	382.347	2.331	0	1	GEAF	
O=C1NC(=O)[C@@H](Cc2ccc(OC[C@@H]3CN(c4ccccn4)CCO3)cc2)S1	26576293	BFPDABDSWKDGOH-DLBZAZTESA-N	399.472	2.260	0	1	GEAF	
COC(=O)c1ccccc1NC(=S)OCCN1C(=O)c2ccccc2C1=O	28521757	DOBPVBLCDNGIOO-UHFFFAOYSA-N	384.413	2.483	0	1	GEAF	
Nc1nccc(N2CCC3(CC2)c2ccccc2[C@@H](N2CCSCC2)[C@@H]3O)n1	20536901	IIZOAWNOPJAGKX-MOPGFXCFSA-N	397.548	2.061	0	1	GEAF	
Cc1cccc(C)c1-n1nnnc1[C@]1(C)CCC(=O)N1CCCn1ccnc1	199214848	YIAVOUYWRYEHQY-FQEVSTJZSA-N	379.468	2.404	0	3	GEAF	
Nc1nnc(-c2ccc3[nH]cc(-c4cncc(C(=O)N5CCOCC5)c4)c3c2)o1	145436075	SMVUNITVZHVVOR-UHFFFAOYSA-N	390.403	2.335	0	1	GEAF	
CC(C)NCc1cn(-c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)nn1	98085459	ADRPOWWYLCCGML-UHFFFAOYSA-N	385.399	2.252	0	1	GEAF	
NC(=O)C[C@H]1CC[C@H](c2ccc(N3CCOc4ncnc(N)c4C3=O)cc2)CC1	261141062	NCMANXCQHVNYDA-HDJSIYSDSA-N	395.463	2.247	0	1	GEAF	
CC[C@@H](c1nc2ccnc(N)c2[nH]1)n1cc(I)c(C)n1	587184235	GEPQSXSNJHOHCW-JTQLQIEISA-N	382.209	2.649	0	1	GEAF	
COc1cc2c3c(c1)O[C@@H](c1ccc(CN(C)S(C)(=O)=O)o1)[C@@H](C2)C3=O	587449573	PPZXURXBOWNSAH-SCLBCKFNSA-N	377.418	2.168	0	1	GEAF	
CCCc1c(O)ccc2c1OC1(CC2=O)C[C@@H](C(=O)OC)[C@H](C(=O)OC)C1	587478465	JVTYRDYAJPTGAW-ZIAGYGMSSA-N	376.405	2.421	0	1	GEAF	
COC(=O)[C@@H]1C[C@@]23C4=C(CC[C@@H]5CN6C[C@@H](C)[C@@H](C=C[C@@]52CO)[C@@]63O)CC[C@@H]41	169363854	KJJSHRRLRCGALL-WBJHDHPSSA-N	385.504	2.101	0	1	GEAF	
O=c1nc(OC[C@@H]2CCCO2)cc2n1CCc1cc(-c3cncnc3)ccc1-2	209711146	OAJFAAAIXDPCOZ-KRWDZBQOSA-N	376.416	2.481	0	1	GEAF	
CCO[C@@H]1CC[C@]2(CC(=O)c3cc(O)ccc3O)C(=O)OC[C@]12C(OC)OC	2356586557	FKTBPUPWFHCNQN-LSTHTHJFSA-N	394.420	2.018	0	1	GEAF	
Cc1noc(C)c1Cn1cc(N2C(=O)CN(CCc3ccc(O)cc3)C2=O)cn1	115732758	QKJLSMYODGCHGC-UHFFFAOYSA-N	395.419	2.253	0	1	GEAF	
CC(=O)NCCNC(=O)c1cnc(N2C[C@H](C)C[C@@H](C)C2)nc1-c1ccco1	82142959	NILJFQLFECMQHN-ZIAGYGMSSA-N	385.468	2.085	0	1	GEAF	
OC[C@@H]1CCCN1c1nccnc1OC1CN(c2ccc3ccccc3n2)C1	96168746	VCCBJSXRWAWZDQ-INIZCTEOSA-N	377.448	2.254	0	1	GEAF	
COc1cc2nc(Cl)nc(-n3[nH]c(-c4ccccn4)nc3=N)c2cc1OC	653780497	PXIRQEIPYHCUFX-UHFFFAOYSA-N	383.799	2.356	0	1	GEAF	
CCNC(=O)CC[C@H](NS(=O)(=O)c1ccc(-c2ccccc2)cc1)C(=O)O	653834972	NAPWKGYKWPYSDL-KRWDZBQOSA-N	390.461	2.001	0	1	GEAF	
CC(C)(O)[C@H](F)CNC(=O)c1cnc(-n2ccc3cncnc32)cc1NC1CC1	1772633031	MPCSWKAMAOGERT-MRXNPFEDSA-N	398.442	2.229	0	1	GEAF	
CC1(C)Cc2c(cnn2-c2ccc(F)cc2)[C@H](NC(=O)C2=NNC(=O)CC2)C1	12430107	VIAXVZJBVBAZHC-MRXNPFEDSA-N	383.427	2.407	0	3	GEAF	
N=C(N)NCc1ccc([C@H]2CC/C(=C\I)OC2=O)cc1	13651071	HNGQAWXKSWVXIP-YTRUQHMWSA-N	385.205	2.367	0	1	GEAF	
COCCOCC(=O)Nc1ccc(NC(=O)N2Cc3ccc(CO)cc3C2)cc1	167029558	IRJVUDTYNNLNOI-UHFFFAOYSA-N	399.447	2.328	0	1	GEAF	
O=C(Cc1ccc(-n2c(=O)[nH]c3ccsc3c2=O)cc1)NCc1ccco1	4790492	MBFSHHFRMSXYFX-UHFFFAOYSA-N	381.413	2.192	0	1	GEAF	
CCC(=O)N1[C@@H](C(=O)NCc2ccccc2F)CSC12CCN(C)CC2	6943615	BNYOIZOTXRBOCU-MRXNPFEDSA-N	379.501	2.218	0	1	GEAF	
CCCOc1ccc2c(c1)C(=O)c1ccc(-c3nnn(C)n3)cc1S2(=O)=O	13755838	VVNQWAJLZJQLQD-UHFFFAOYSA-N	384.417	2.043	0	1	GEAF	
C[C@@H](c1ccccc1)N1C(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)CCN2C1=O	25430432	ICDSRCNREDJUNL-YJBOKZPZSA-N	399.472	2.085	0	1	GEAF	biogenic
CCOC(=O)[C@H](CCc1ccccc1)O[C@H](C)C(=O)N1CCC[C@@H]1C(=O)O	28757333	FOJRYJADYAOGSC-OIISXLGYSA-N	377.437	2.032	0	1	GEAF	
CCOC(=O)c1ccc(-n2nc(C(=O)OCC)c3csc(N)c3c2=O)cc1	36380596	NAFHNFVHEQVFLO-UHFFFAOYSA-N	387.417	2.383	0	1	GEAF	
O=C(C1CCC1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(-c4cccnc4)cc3)[C@@H]2C1	95797321	QVDWJLNEJREBMG-JAXLGGSGSA-N	391.471	2.046	0	1	GEAF	
N[C@H](C(=O)N1CCSC1)[C@H]1CC[C@H](NC(=O)OCc2ccccc2)CC1	100771444	IMQBTVOWEGWZTQ-BBWFWOEESA-N	377.510	2.332	0	1	GEAF	
CN1[C@@H]2CC[C@@H]1CN(c1nc3c(cc1F)c(=O)c(C(=O)O)cn3C1CC1)CC2	100951061	FJWKRSUVHKMSSF-DGCLKSJQSA-N	386.427	2.242	0	1	GEAF	
O=C(c1cccnc1Nc1nc2ccccc2s1)N1CCN(CCO)CC1	103289083	HQYBLFOBDRYRIL-UHFFFAOYSA-N	383.477	2.185	0	1	GEAF	
O=C(Nc1cnccn1)Nc1cccc2c1[C@H]1CC3(CCN1C2=O)OCCO3	116939305	DATQQCAISHVBKS-CQSZACIVSA-N	381.392	2.154	0	1	GEAF	
CNC(=O)C1=C(C)NC(Nc2nc3ccccc3o2)=N[C@H]1c1nn(C)cc1Cl	139371632	LJYIEDZBEIDLQF-OAHLLOKOSA-N	399.842	2.347	0	1	GEAF	
COc1ccc([C@H](O)[C@H]2CO[C@H](c3ccc4c(c3)OCO4)[C@H]2CO)cc1OC	238767635	FJXKIGDEXMHOCZ-LATRNWQMSA-N	388.416	2.462	0	1	GEAF	
COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2cccc(S(N)(=O)=O)c2[nH]1	586915285	CCSMZEGWYQSAER-DJJJIMSYSA-N	385.445	2.427	0	1	GEAF	
O=S(=O)(NC[C@@H]1CCCO1)c1ccc(-c2nc3cc(CO)ccc3[nH]2)cc1	586946827	QJEXJNZGVOWHCA-HNNXBMFYSA-N	387.461	2.180	0	1	GEAF	
COC(=O)Cc1ccc(OC[C@@H](O)CN2CCN(c3cccc(C)c3)CC2)cc1	1857640265	RMFMWGQRUZNGOR-NRFANRHFSA-N	398.503	2.272	0	1	GEAF	
COC(=O)[C@@]1(C)N[C@H](c2ccc(O)cc2)[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21	104182472	BXNIWTHCKAVZLL-IDVKNYFZSA-N	394.427	2.082	0	1	GEAF	
COc1cccc(C(=O)NCCN2CCN(c3noc4ccccc34)CC2)c1	64539120	CKPAPDLVEHXFQY-UHFFFAOYSA-N	380.448	2.388	0	1	GEAF	
[O-][n+]1nc2c(I)cnn2c2cc(C(F)(F)F)ccc21	64436277	ZRZDAUUHPQAZBB-UHFFFAOYSA-N	380.067	2.139	0	1	GEAF	
COc1ccc([C@@H]2[C@@H](OC)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1N	26170035	KCXJMMJALCDAAV-IEBWSBKVSA-N	388.420	2.406	0	1	GEAF	
C[C@@]1(C(=O)NS(=O)(=O)c2ccc(Cl)cc2)CCN1C(=O)c1ccco1	61897772	TUVGNEIURHWGSV-INIZCTEOSA-N	382.825	2.043	0	3	GEAF	
CN(C)C(C)(C)COC(=O)CNC(=O)c1csc(Nc2ccccc2)n1	82084999	XMJGJBRAKGBPFW-UHFFFAOYSA-N	376.482	2.500	0	1	GEAF	
Cc1c(Cc2ccc(F)c(C(=O)N3CCC4(CCNC4)CC3)c2)n[nH]c(=O)c1C	45364985	AGPBKWLVIQTDCG-UHFFFAOYSA-N	398.482	2.332	0	1	GEAF	
Cc1ccc(C(=O)Nc2ccc(-c3nc4c([nH]3)c(=O)n(C)c(=O)n4C)cc2)cc1	82151511	NBPOFEKAKURKHM-UHFFFAOYSA-N	389.415	2.188	0	1	GEAF	
CC[C@@]1(C)NC(=O)c2cc(S(=O)(=O)NC3CCCCC3)ccc2NC1=O	96269451	AJLIDRVNLOVCQU-GOSISDBHSA-N	379.482	2.148	0	1	GEAF	
CC[C@@H](C)C1=C2N=C3OC=CC=C[C@@]3(O)C(=O)N2[C@@H](Cc2ccccc2)C(=O)N1	238773888	KEGQNQRTFBYGDC-RQVMVGKASA-N	393.443	2.015	0	1	GEAF	
CCOC(=O)c1ncc(O)c2c1C(=O)N(CCc1c[nH]c3ccccc13)C2=O	473129078	FOCVAVQLUJEXRZ-UHFFFAOYSA-N	379.372	2.284	0	1	GEAF	
CC[C@]1(C)CC(=O)N(CC(=O)N2CCN(c3ccccc3Cl)CC2)C1=O	653728735	ZLIMJULIBSVJPN-LJQANCHMSA-N	377.872	2.164	0	1	GEAF	
CN(C)C(=O)CN1CCC2(CC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1	587581953	JYQHVTFLLCFCGG-IBGZPJMESA-N	396.443	2.277	0	1	GEAF	
Cc1nn(C)c(C)c1[C@@]1(C(N)=O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	587579234	CQDVNSHKSRKSMC-LAUBAEHRSA-N	393.399	2.085	0	1	GEAF	
O=C(O)CCCCNC(=O)c1ncc2c(=O)n(Cc3ccccc3)ccc2c1O	169710918	XOXNTBYBLRPNQX-UHFFFAOYSA-N	395.415	2.135	0	1	GEAF	
COc1cc(CCn2cnc3ccc(S(C)(=O)=O)cc3c2=O)cc(OC)c1	1857573560	ZPRRITFJTPUVDK-UHFFFAOYSA-N	388.445	2.060	0	1	GEAF	
COc1ccc(OCCN2CCN(C(=O)c3cc4ncccc4[nH]3)CC2)cc1	205942596	ORNDJPPXEBDDDP-UHFFFAOYSA-N	380.448	2.408	0	1	GEAF	
O=S(=O)(NC[C@H]1C[C@H]2CCN1C[C@H]2CN1CCCCC1)c1cccs1	2356353101	IDTKSTNSKGIOIT-BRWVUGGUSA-N	383.583	2.223	0	1	GEAF	
O=c1cc(Nc2nc3ccccc3c(=O)n2-c2ccc(Cl)cc2)[nH]c(=O)[nH]1	66252048	UHLOJSYBBKPGSQ-UHFFFAOYSA-N	381.779	2.159	0	1	GEAF	
CO[C@@H]1C[C@@]23CCN(C)C(=O)[C@@H]4[C@H](C)OC[C@@H]([C@@H]2N(C(C)=O)c2ccccc23)[C@H]41	2356420366	XLGWGETYTXOOFP-AVXVMOLVSA-N	398.503	2.208	0	1	GEAF	
CNC(=O)[C@H]1Cc2cc(OC)c(OC)cc2CN1C(=O)CCn1c(C)ccc1C	2356686676	OOAFHWZQYGAPFW-GOSISDBHSA-N	399.491	2.212	0	1	GEAF	
COc1cc2c(cc1OC)[C@H]1C(=c3c(OC)cc(OC)c(OC)c3=CN1C)C=C2	2356786281	ZRAYFMQPCKECOA-JOCHJYFZSA-N	395.455	2.332	0	1	GEAF	
C[C@@H]1CN(CCn2cnnn2)CC[C@@H]1N(C(=O)c1ccco1)c1ccccc1F	26733782	PBLWMPGMKFCGTH-WBVHZDCISA-N	398.442	2.463	0	1	GEAF	
O=C1/C(=C/c2ccc(Br)s2)N=C(S)N1CN1CCOCC1	33493175	NLPCGWGVNAPOKC-YFHOEESVSA-N	388.312	2.269	0	1	GEAF	
CC(=O)NCCNC(=O)c1cnc(N2CCCCC2)nc1-c1ccccc1F	82160015	KXIKDLGZEMYKGD-UHFFFAOYSA-N	385.443	2.139	0	1	GEAF	
Nc1nc(O)c2[nH]cc(C(=O)c3ccc(I)cc3)c2n1	653808721	APHXZZHIZPWWHM-UHFFFAOYSA-N	380.145	2.081	0	1	GEAF	
CCOc1n[nH]c(-c2nc3ccc(S(=O)(=O)O)cc3[nH]2)c1Br	586980155	OMOACDHFDJHMAW-UHFFFAOYSA-N	387.215	2.361	0	1	GEAF	
C[C@@]1(c2cc3c(s2)CCCC3)c2[nH]cnc2C[C@H]2C(=O)N3CCC[C@H]3C(=O)N21	963206468	PDRLTKRYGAHDPO-VFCRVFHLSA-N	396.516	2.371	0	1	GEAF	
NC(=O)CCn1cc(C(=O)[C@@H]2CS[C@H](c3cccnc3)N2)c2ccccc21	13737509	IZRMTBCSSCYRTF-OXJNMPFZSA-N	380.473	2.498	0	1	GEAF	
CC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NC[C@@]1(C2CC2)NC(=O)NC1=O	209144918	XTJBTJMEXZEGIF-XIKOKIGWSA-N	397.397	2.379	0	1	GEAF	
COc1ccc2cc([C@H](C)C(=O)OC[C@H](CO[N+](=O)[O-])O[N+](=O)[O-])ccc2c1	13982483	DHMLCNFGWGUOSW-MEDUHNTESA-N	394.336	2.280	0	1	GEAF	investigational
COCCC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2ccc(NC(=O)c2ccccc2)c1=O	25219404	XFAWIKFLLMYJMA-WBVHZDCISA-N	395.459	2.083	0	1	GEAF	biogenic
O=S(=O)(NC[C@H]1C[C@H]2CCN1C[C@@H]2CN1CCCCC1)c1cccs1	43527055	IDTKSTNSKGIOIT-IXDOHACOSA-N	383.583	2.223	0	1	GEAF	biogenic
COCCn1c(=O)c(NCc2cc3ccccc3o2)c2n(c1=O)C[C@H](C(C)C)N2	82206149	WIAQJDQWGHXWAS-MRXNPFEDSA-N	398.463	2.465	0	1	GEAF	
C/C=C/c1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(C(=O)NC4CCCC4)C[C@@H]23)cc1	95797756	ICPPVXBEKYVMLT-WCEZMHNVSA-N	383.492	2.343	0	1	GEAF	
Cc1nnc(-c2cccc(-n3c(N)c(C(N)=O)c4nc5ccccc5nc43)c2)[nH]1	299828619	KEHIAIYAOIMYGP-UHFFFAOYSA-N	384.403	2.348	0	1	GEAF	
COc1ccc(S(=O)(=O)N[C@@H](c2nc3ccc(Cl)nc3[nH]2)[C@H](C)O)cc1	586938338	QIEDMKCKBKBRBC-LKFCYVNXSA-N	396.856	2.020	0	1	GEAF	
COc1ccc(S(=O)(=O)N[C@@H](c2nc3ccc(F)c(F)c3[nH]2)[C@@H](C)O)cc1	586939551	WFSKDLOTCRGTQE-RFAUZJTJSA-N	397.403	2.250	0	1	GEAF	
COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2ccc(N3CCN(C)CC3)cc2[nH]1	587230859	NMBOVTLTXSXTAP-ZWKOTPCHSA-N	399.539	2.351	0	1	GEAF	
CCOC(=O)c1c[nH]c2ccc(-c3ccc4c(O)nc(O)nc4n3)cc2c1=O	587555470	OMFULQHEPNCLKN-UHFFFAOYSA-N	378.344	2.121	0	1	GEAF	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H]1CCS(=O)(=O)C1	587869790	RTKIBMIZYXBIDO-SNVBAGLBSA-N	389.355	2.047	0	1	GEAF	
CS(=O)(=O)N1CCC(C[C@@H](O)c2cncnc2Nc2ccc(F)cc2)CC1	1772578416	NEGPECKYOMCCBM-QGZVFWFLSA-N	394.472	2.454	0	1	GEAF	
CN(c1cccc(C(C)(C)C)c1)S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1	1772585666	ITDHRKWBJYPGPF-UHFFFAOYSA-N	387.461	2.339	0	1	GEAF	
O=C(OC1[C@H]2C=C[C@H]1O2)c1cccc2c1C[C@@H]1Oc3cccc(O)c3[C@@H](O)[C@H]1O2	2356527829	OHAIRVQDXRWIFM-MGFJAUSVSA-N	394.379	2.053	0	1	GEAF	
CCOC(=O)C1=CN(CC)S(=O)(=O)N[C@@H]1c1ccc(C(F)(F)F)cc1	61958839	MLNYTMJOORMWDW-CYBMUJFWSA-N	378.372	2.363	0	3	GEAF	
O=C(NCc1ccc(F)cc1)[C@H]1[C@@H]2C=C[C@]3(CN(Cc4cccs4)C(=O)[C@@H]13)O2	102127605	VTHPLPGBZOZQLE-LXGFNABISA-N	398.459	2.486	0	1	GEAF	
CNC(=O)Cn1c(=O)n(C2CCN([C@@H]3C[C@@H]4CC[C@@H]3C4)CC2)c2ccccc21	101327009	HPUKHZULLSYZHF-JXXFODFXSA-N	382.508	2.375	0	1	GEAF	
COC(=O)[C@@]12C[C@@H]3C[C@H]([C@@H](C)O)[C@@H]1N(CCc1c2[nH]c2ccc(OC)cc12)C3	101370595	OYMQKBZMKFJPMH-WRGQPFOFSA-N	384.476	2.235	0	1	GEAF	
CC(C)(C(=O)N[C@H]1[C@H]2CC3C[C@@H]1C[C@](S(N)(=O)=O)(C3)C2)c1ccccc1	101102613	NNKZNDAYDMLMIA-ACCPSQPCSA-N	376.522	2.316	0	1	GEAF	
C[C@H]1CN(S(=O)(=O)c2c[nH]c3ncccc23)CCN1C(=O)c1ccccc1	28826943	QGODFPZTUSIJQW-AWEZNQCLSA-N	384.461	2.098	0	1	GEAF	
Cc1ccc(C(=O)N[C@@H]2CO[C@@H]3[C@H](OC(=O)NC4CCCCC4)CO[C@@H]32)cc1	2356857452	SIUGXYOYJVIPQF-NCXUSEDFSA-N	388.464	2.319	0	1	GEAF	
COCCn1c(=O)c(NCc2ccccc2)c2n(c1=O)[C@H](c1ccccc1)CN2	82208877	KFSPUKRRGXJFNX-SFHVURJKSA-N	392.459	2.283	0	1	GEAF	
NC1=N[C@]2(CO1)c1cc(-c3cncnc3)ccc1O[C@@H](CC1CC1)C21COC1	220721273	MSVXPEWIJQOLDG-GHTZIAJQSA-N	378.432	2.262	0	1	GEAF	
Cc1cccc(NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3NC2=O)n1	618015312	JLEGLLXXVUNMMH-HZMVEIRTSA-N	384.480	2.014	0	1	GEAF	
CC(=O)N1CCN(S(=O)(=O)c2ccc(-c3nc4c(C)cccc4[nH]3)cc2)CC1	586957168	PSZCAXAETAKTHY-UHFFFAOYSA-N	398.488	2.391	0	1	GEAF	
Cc1nn(C)cc1-c1[nH]c2ccc(S(C)(=O)=O)cc2c1CN1CCOCC1	587650374	KIKVFKQQLHIRQG-UHFFFAOYSA-N	388.493	2.113	0	1	GEAF	
CCN(CC)S(=O)(=O)c1ccc2[nH]c(-c3c(N)cncc3OC)nc2c1	587254873	XEUREPNZBDHGND-UHFFFAOYSA-N	375.454	2.246	0	1	GEAF	
Oc1nc(O)c(I)c(-c2nc3cc(F)cc(F)c3[nH]2)n1	587183446	YYRGYQBZWBRAFY-UHFFFAOYSA-N	390.087	2.314	0	1	GEAF	
COC(=O)c1ccc2nc(C3(NC(=O)OC(C)(C)C)CCC(O)CC3)[nH]c2n1	587237242	NTJUXXSBJFOXHH-UHFFFAOYSA-N	390.440	2.399	0	1	GEAF	
COCC[C@@]1(CC(=O)OC)N[C@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21	962703866	SZAPHILEFRDXDD-BBRMVZONSA-N	393.333	2.238	0	1	GEAF	
CCn1[nH]c2ncnc(NS(=O)(=O)c3cccc(Cl)c3Cl)c2c1=O	1772586567	YNTSSZATTCXECQ-UHFFFAOYSA-N	388.236	2.247	0	1	GEAF	
CCOC(=O)[C@]12CC[C@](c3c(C)cccc3C)(O1)C(C(=O)OC)=C2C(=O)OC	5834853	GLFYMSNFJDGJGI-NHCUHLMSSA-N	388.416	2.267	0	1	GEAF	
COc1cc([C@@H]2c3cc4c(cc3[C@H](N)[C@@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O	5882586	WZTRSUUEQXXWCN-WSFKTYETSA-N	399.399	2.073	0	1	GEAF	
CNC(=O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc2cc(Cl)ccc2[nH]1	13780532	JEVXXXLVYNUVNO-FUHWJXTLSA-N	385.851	2.269	0	1	GEAF	
CC(C)(CO)NC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12	169704219	UBZNHEVCEBSCHA-MRXNPFEDSA-N	398.442	2.106	0	1	GEAF	
CNc1nc(Nc2ccc(C(=O)N3CCC(O)CC3)cc2OC)ncc1F	169705008	KMEBBRMMTIFHBP-UHFFFAOYSA-N	375.404	2.007	0	1	GEAF	
O=C1C[C@@H](Cc2ccccc2)NC(=O)[C@H]1C(=O)Nc1ccc(C(F)(F)F)nc1	169727284	XUTYPXZWDYOJBC-CZUORRHYSA-N	391.349	2.355	0	1	GEAF	
Cc1nn(C)cc1CNC(=O)c1c(O)c2cc(F)cc3c2n(c1=O)[C@@H](C)CC3	1857550304	YMGDSGIEODNXCS-JTQLQIEISA-N	384.411	2.325	0	1	GEAF	
COc1c(/C=C/CO)cc(NS(=O)(=O)c2cccs2)c2c1OCCO2	1857653601	JIGJFPCTLQSEHK-DUXPYHPUSA-N	383.447	2.334	0	1	GEAF	
O=C1[C@H]2C=C(I)[C@@H](C[C@@H]2OCCCCCCO)[C@]12CO2	101614780	QFMSBBZGQQICDX-YODMDTAWSA-N	392.233	2.231	0	1	GEAF	
CC(=O)c1nnn(-c2cnn(Cc3ccccc3)c(=O)c2Br)c1C	103235300	FEONHZYLLLIAIW-UHFFFAOYSA-N	388.225	2.146	0	1	GEAF	
COCCc1ccc(OC[C@H](O)CN[C@H](C)[C@@H](O)c2ccc(O)cc2)cc1	28469554	KVDVMDRYKYWOAE-QFIXIFRTSA-N	375.465	2.033	0	1	GEAF	
COc1cc(CNc2nc(N(C)CCN(C)C)ncc2C)cc(OC)c1OC	82202811	MQTVVSKGQWNBJN-UHFFFAOYSA-N	389.500	2.421	0	1	GEAF	
O=C(Cc1ccccc1)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)C1CC1	95893278	HGGQDUDEIVKXDI-TUNNFDKTSA-N	376.456	2.341	0	1	GEAF	
COC(=O)c1cc2[nH]c(-c3cccnc3S(=O)(=O)C(F)(F)F)nc2cn1	587126405	AGJYNFRPTNTOTF-UHFFFAOYSA-N	386.311	2.100	0	1	GEAF	
Cc1nc(N(C)C)ncc1-c1nc2cc(I)cnc2[nH]1	587194272	BPAWSZYVGKRSGE-UHFFFAOYSA-N	380.193	2.394	0	1	GEAF	
N=C(N)c1ccc(NC(=O)CCC(=O)N[C@@H](CC(=O)O)c2ccccc2)cc1	13741890	UXEYSFIKRMTLNN-INIZCTEOSA-N	382.420	2.022	0	1	GEAF	
COC(=O)[C@@H]1C[C@H](O)C[C@@H]2[C@@H]1C(=O)C[C@@H]1C(=O)O[C@@H](c3ccoc3)C[C@]12C	15165530	LPHWMSVPEOJPHG-GXANEBJPSA-N	376.405	2.039	0	1	GEAF	endogenous,in-man
COc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2cc(=O)n(C)cn2)nc1	209436384	FEPKZCDKFOEAMS-HIFRSBDPSA-N	379.420	2.132	0	1	GEAF	
COc1ccccc1-c1cn2c(n1)CO[C@H](CNS(=O)(=O)c1ccccc1)C2	2356298871	HHLDNENMFARTQF-OAHLLOKOSA-N	399.472	2.436	0	1	GEAF	
C[C@@]1(CN)CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C1	3775239	KNZIBBYIVPNHHD-IBGZPJMESA-N	377.391	2.488	0	1	GEAF	
COc1nc(OC)nc(N2CCC(C(=O)NCc3ccc(Cl)cc3)CC2)n1	4965360	QAQIAJXIFQLFNX-UHFFFAOYSA-N	391.859	2.075	0	3	GEAF	
CCc1nc2nc(C)c(NS(=O)(=O)c3ccc(CC(C)C)cc3)c(=O)n2[nH]1	103695800	YSWDDQDZQWCRFM-UHFFFAOYSA-N	389.481	2.288	0	3	GEAF	
CCCc1c(O)c2[nH]c(CCCCN3N=C(Cl)CCC3=O)nc2n(C)c1=O	26673548	SWRAISUSKJJFEA-UHFFFAOYSA-N	393.875	2.417	0	1	GEAF	
CN1CCN(CCCNC(=O)c2cc3c(=O)oc4ccccc4c3s2)CC1	20104802	QCRHEVGQIPCDDM-UHFFFAOYSA-N	385.489	2.375	0	3	GEAF	
OC[C@@H]1[C@H](O)C[C@@H](NCc2ccc(F)c(F)c2)[C@@H]1Cc1ccnc(C2CC2)n1	2356478390	CEBZWGVYNHFRPH-WOUAJJJCSA-N	389.446	2.322	0	1	GEAF	
COc1ccc([C@@H](O)[C@@H](CO)Oc2ccc(C=CCO)cc2OC)cc1OC	2356639137	GAYRERFQJBZHBH-NHCUHLMSSA-N	390.432	2.191	0	1	GEAF	
CS(=O)(=O)c1ccc(Cn2cc(C(=O)O)c(=O)c3cccc(F)c32)cc1	45393130	VDNVMDRTXBEQIU-UHFFFAOYSA-N	375.377	2.291	0	1	GEAF	
NC(=O)c1nn(-c2ccccn2)c2c1CCc1cnc(NC3CCCC3)nc1-2	45365641	GYMVEDSUJRTLGP-UHFFFAOYSA-N	375.436	2.276	0	1	GEAF	
Cn1ccc2cc(-c3nc(CS(C)(=O)=O)cc(N4CCOCC4)n3)ccc21	84653219	ZTTVDKACTJBDHD-UHFFFAOYSA-N	386.477	2.017	0	1	GEAF	
CCN(CCN(CC)S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1	45393903	FNNDRRFMYGHYLO-UHFFFAOYSA-N	396.534	2.408	0	1	GEAF	
COC1CCN(c2nccnc2C2CN(C(=O)c3nc4ccccc4[nH]3)C2)CC1	145097617	QIJOHZWIGSLTGH-UHFFFAOYSA-N	392.463	2.208	0	1	GEAF	
Cc1[nH]c(/C=C2\C(=O)Nc3ncc(F)cc32)c(C)c1C(=O)NCCN1CCCC1	473249627	XDFPHRINQXPLJT-YBEGLDIGSA-N	397.454	2.484	0	1	GEAF	
CN(C)C(=O)CN1CCC2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1	587581955	JYQHVTFLLCFCGG-LJQANCHMSA-N	396.443	2.277	0	1	GEAF	
COC(=O)Nc1ccc(-c2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)cn1	587245422	RFTNIVFJZHTGRQ-UHFFFAOYSA-N	375.410	2.054	0	1	GEAF	
C[C@@H]1[C@H](c2ccc3c(n2)N(C)S(=O)(=O)N3C[C@H]2CC2(F)F)[C@@H]1C(C)(C)O	1772590170	XKZJGPAQRAEUDQ-DMTCVQMQSA-N	387.452	2.358	0	1	GEAF	
CC(C)c1nc(CNC(=O)C[C@H]2C(=O)NCCN2Cc2ccccc2)cs1	12744157	ZGYGMHILBMKOIU-KRWDZBQOSA-N	386.521	2.273	0	3	GEAF	
COc1cc(OC)nc(O[C@@H](C(=O)O)C(O)(c2ccccc2)c2ccccc2)n1	13756053	XTPVBLFDYBIPGU-SFHVURJKSA-N	396.399	2.262	0	1	GEAF	
Cc1cc(CNC(=O)[C@@]2(C(F)(F)F)C/C(=C\CCO)CCCO2)nn1C	13829191	OGURYQXPCPBZCJ-AKOROQJMSA-N	375.391	2.155	0	3	GEAF	
Cn1c([C@@]2(C)CCCS2)nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O	167921701	SJTGUAIXCKNKQQ-GOSISDBHSA-N	377.441	2.297	0	1	GEAF	
COc1cccc(CNS(=O)(=O)c2cnc3ccc(-c4cccnc4)nn23)c1	1857760235	GVBODOQUBOMKJY-UHFFFAOYSA-N	395.444	2.278	0	1	GEAF	
Cc1noc(C)c1Cn1cc(N2C(=O)CN(Cc3cccc(C#N)c3)C2=O)cn1	115731317	HVMJNDLBQJCWIO-UHFFFAOYSA-N	390.403	2.377	0	1	GEAF	
C[C@H]1CN(C(=O)c2cccs2)CCN1S(=O)(=O)c1c[nH]c2ncccc12	28826909	OUYKEJFBGBJLIL-LBPRGKRZSA-N	390.490	2.160	0	1	GEAF	
C[C@H]1CC(=O)c2c(N3CCN4CCC3CC4)c(F)cc3c(=O)c(C(=O)O)cn1c23	27710281	POUVEMXWCWRCIO-NSHDSACASA-N	399.422	2.271	0	1	GEAF	
N[C@H]1N=CNc2c(CN3C[C@@H](O)[C@@H](CSc4ccc(F)cc4)C3)c[nH]c21	28467101	AYPDSUHIVSYCNQ-DWQUBVKVSA-N	375.473	2.150	0	1	GEAF	
O=C(Nc1ccccc1F)N[C@H]1CC[C@@H](CCNC(=O)C2CCC2)O[C@H]1CO	95903903	SNFIVQMNSFUFJY-WBAXXEDZSA-N	393.459	2.162	0	1	GEAF	
COc1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccnc3)C2)c1	365162913	CVBINDUCBSRBTL-CQSZACIVSA-N	375.450	2.130	0	1	GEAF	
C[C@@H]1N[C@H](c2ccccn2)NC(=O)[C@H]1CC(=O)N(C)[C@H]1CCc2ccccc21	618014049	MCLLQUCQEQWJIN-VJARNRFFSA-N	378.476	2.340	0	1	GEAF	
O=C(COc1ccccc1)NCCS(=O)(=O)c1ccc(C(F)(F)F)cn1	653793007	OZZLCQFRWUDTBO-UHFFFAOYSA-N	388.367	2.069	0	1	GEAF	
NCC[C@@]1(c2ccccc2N)N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21	962973138	VBPUKGVWOBKUFX-KDOFPFPSSA-N	381.810	2.392	0	1	GEAF	
CN1CCC[C@H]1CCNC(=O)CCCOc1ccc2nc3[nH]c(=O)[nH]c3cc2c1	13725955	IQAKHLNLQACVKB-HNNXBMFYSA-N	397.479	2.164	0	1	GEAF	
COc1cc2c(cc1OC)[C@]13CCN4C/C(=C/CO)[C@H](C[C@H]41)C1=CCC(=O)N2[C@@H]13	14681404	XTGYWZXUYFAABL-XZZOEZDBSA-N	394.471	2.013	0	1	GEAF	
CCCOc1ncc(C(C)=O)cc1-c1nc(O)c2nn(C3CNC3)c(CC)c2n1	14955556	PWCLUNHENZTLTR-UHFFFAOYSA-N	396.451	2.292	0	1	GEAF	
O=S(=O)(c1ccccc1)N1CCN(c2cc(O)n(-c3ccccc3)c2O)CC1	169688601	SBTMSUOZZCJZCJ-UHFFFAOYSA-N	399.472	2.399	0	1	GEAF	
Cc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NC[C@@H](C)O)c2n1	169704257	KKTZVZNGYWEPCI-SJKOYZFVSA-N	398.442	2.024	0	1	GEAF	
NCc1nc(-c2cc(-c3cc(F)c(CO)c(F)c3)c3c(N)ncnn23)cs1	206395232	FWVKKGSYAGNETL-UHFFFAOYSA-N	388.403	2.331	0	1	GEAF	
Cc1cc(C(=O)N2CC(O)C2)ccc1NS(=O)(=O)c1cccc2cccnc12	200260127	DPMAAMOBMALASV-UHFFFAOYSA-N	397.456	2.161	0	1	GEAF	
CCn1ncc2c1CC[C@@H](N=c1nc3c(-c4cnccc4OC)cccn3[nH]1)C2	1857637767	ZPVUQEALFZYDMU-OAHLLOKOSA-N	389.463	2.408	0	1	GEAF	
CCOC(=O)c1sc2nc(CC(=O)OC)nc(NC[C@H]3CCCO3)c2c1C	2912238	SVBQRLNTUQANSB-LLVKDONJSA-N	393.465	2.483	0	1	GEAF	
COc1ccc(-c2oc3cc(OC)cc(O)c3c(=O)c2OS(=O)(=O)O)cc1	13484765	WXRZYIAUGRZZHE-UHFFFAOYSA-N	394.357	2.364	0	1	GEAF	biogenic
COc1ccc(C(=O)N2CCN(Cc3nc(C)c(C)nc3C)CC2)cc1OC	40422503	XJXXQQPBYIFZBX-UHFFFAOYSA-N	384.480	2.377	0	1	GEAF	
COC(=O)c1cn(-c2ccc(S(N)(=O)=O)cc2)nc1-c1ccc(F)cc1	103248257	LKMOESZCLLTGHY-UHFFFAOYSA-N	375.381	2.112	0	1	GEAF	
CCOC(=O)C[C@@H](Nc1ccccc1O)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1OC	103295176	ZAAUAFDRQWJKOI-SOGIYBJLSA-N	381.425	2.017	0	1	GEAF	
Cc1onc(-c2ccccn2)c1COc1ccc(C(=O)N2CCOCC2)cn1	141364494	VQORXIASXUHNLL-UHFFFAOYSA-N	380.404	2.491	0	1	GEAF	
COC[C@H](C)N1C(=O)[C@]2(N=C1N)c1cc(C#N)ccc1CC21CCC(OC)CC1	142164040	BKPWTKXOOYWXJD-NKXFQPRFSA-N	396.491	2.077	0	1	GEAF	
O=C(Nc1cnn(S(=O)(=O)c2cc(F)c(F)cc2F)c1)c1ccccn1	198775444	HDTDGHMIVCASOX-UHFFFAOYSA-N	382.323	2.185	0	1	GEAF	
Cc1ccc(CN(C(=O)C[C@@H]2C(=O)N[C@@H](c3ccccn3)N[C@H]2C)C2CC2)o1	209050886	REYIQNXYHDRVNV-VHFSOBRXSA-N	382.464	2.287	0	1	GEAF	
Cc1cc(-c2n[nH]c3cc(NC(=O)NCc4ccc[n+]([O-])c4)ncc23)ccn1	261084245	CHJHQIKEDHYSMV-UHFFFAOYSA-N	375.392	2.283	0	1	GEAF	
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CC[C@H]([C@H](C)N)C3)c(OC)c21	299807220	KGBAGNYTHSMCRZ-QWRGUYRKSA-N	377.416	2.041	0	1	GEAF	
CCN1C(=O)N[C@@H]2C[C@H](C(=O)N[C@H](c3nc(C)cs3)C3CC3)CC[C@@H]2C1=O	618015465	WDWNMQJJWJUBIS-BARDWOONSA-N	390.509	2.375	0	1	GEAF	
Cc1ncc(Cn2cc(CSc3nnc(-c4ccccc4)o3)nn2)c(N)n1	653720493	NVBBIWKHZWYDDF-UHFFFAOYSA-N	380.437	2.349	0	1	GEAF	
O=C(Nc1ccc2c(c1)C(=O)NS2(=O)=O)c1cccc(Br)c1	1857570542	KEDGGDPDYMWVEJ-UHFFFAOYSA-N	381.207	2.134	0	1	GEAF	
COc1ccccc1-n1c(C)nc2cc(C(=O)NCCN3CCOCC3)ccc21	20757802	UPFCJHGUEWDCSP-UHFFFAOYSA-N	394.475	2.405	0	3	GEAF	
CCN1CCN(C(=O)c2ccc(CS(=O)(=O)Cc3ccc(C)cc3)o2)CC1	2966685	PIASZBKQSGFQNH-UHFFFAOYSA-N	390.505	2.481	0	1	GEAF	
CCOC(=O)[C@H](C)Sc1nnc(CSc2nc3nc(C)cc(C)n3n2)o1	8444485	PCYAQJGEPSZALF-JTQLQIEISA-N	394.482	2.460	0	3	GEAF	
CN1[C@H]2CCC[C@@H]1C[C@@H](NC(=O)c1cccc3oc(N4CCOCC4)nc13)C2	103265287	RXDWERDONCYTQT-PHZGNYQRSA-N	384.480	2.410	0	1	GEAF	
COC(=O)C1=CNC(=O)[C@H]([C@H](C)O)[C@@H]1Cc1nccc2c1[nH]c1ccccc12	14583386	KSPXMTWHAXXRIJ-UCMVZMLTSA-N	379.416	2.059	0	1	GEAF	biogenic
COC[C@@H](C)N1C(=O)[C@@]2(N=C1N)c1cc(C#N)ccc1CC21CCC(OC)CC1	142164249	BKPWTKXOOYWXJD-RISPHYCOSA-N	396.491	2.077	0	1	GEAF	
COc1cc(O)c2c(c1Cl)/C=C/C[C@H](O)[C@H](O)[C@H](O)/C=C/C[C@H](C)OC2=O	238740968	ASZQCWYVQBKBBJ-KOAAHNDQSA-N	398.839	2.045	0	1	GEAF	
CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@@H](C)NC[C@@H]1C	95679681	MLEIFZNHXKEZCN-KSMMKXTCSA-N	389.496	2.129	0	1	GEAF	
CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1	587203159	IVAFRGXAQORNNH-GOSISDBHSA-N	394.479	2.473	0	1	GEAF	
O=C(Oc1ccccc1)c1cccc(C2=CS(=O)(=O)CCCS2(=O)=O)c1	1772593060	CXTWTZZPGVLLDK-UHFFFAOYSA-N	392.454	2.438	0	1	GEAF	
O=C(COC(=O)[C@@H]1[C@@H]2C[C@@H]3OC(=O)[C@@H]1[C@@H]3C2)Nc1cccc(C(F)(F)F)c1	13517170	DCKLMBLLIHHFIH-FETKWTAISA-N	383.322	2.385	0	1	GEAF	
COC(=O)[C@@H]1C[N@]1[C@@H](CC(=O)OCc1ccccc1)C(=O)OCc1ccccc1	1857575156	VEQLIWRZBIPKMI-SFYKDHMMSA-N	397.427	2.089	0	1	GEAF	
CCOC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OCC)[C@@H]1c1c[nH]c2ccccc12	2931077	HQBFXHCSFCYATJ-WIRSXHRWSA-N	387.432	2.334	0	1	GEAF	
CO[C@@H]1c2c([nH]c3ccccc23)[C@H](C=C(C)C)N2C(=O)[C@H]3CCCN3C(=O)[C@@]12O	2356852814	QTOVUUPWQCFFQD-LQLPYNBSSA-N	395.459	2.398	0	1	GEAF	
O=C1C[C@@H]2CCN(C(=O)c3ccno3)C[C@@H]2CCN1Cc1ccc2c(c1)OCO2	15673824	UVMLRTAPWLFAPT-HOTGVXAUSA-N	397.431	2.304	0	1	GEAF	biogenic
CCc1nnc(Nc2nc3nonc3nc2Nc2nnc(CC)s2)s1	82053401	XCHYXMPBLDSUOX-UHFFFAOYSA-N	376.431	2.328	0	1	GEAF	
CCCCNC(=O)c1cnc(N2CCC[C@@H](C(N)=O)C2)nc1-c1ccccc1	82132450	JGCXRDGIMAOCSY-MRXNPFEDSA-N	381.480	2.375	0	1	GEAF	
O=C(Nc1ccccc1F)N[C@@H]1CC[C@H](CC(=O)N2CCCCC2)O[C@H]1CO	95675430	QWOFJLPZBFRYTI-OLMNPRSZSA-N	393.459	2.258	0	1	GEAF	
O=C(c1ccccc1)c1cccc(/C=c2\nc(O)/c(=C/c3ccncc3)nc2O)c1	377805980	AFPNQIWTPYFPLS-SIBCGJTDSA-N	395.418	2.171	0	1	GEAF	
COC(=O)C1=CNC=C2CN3CCc4c([nH]c5ccccc45)[C@H]3C(=O)C(O)=C21	38321813	MBIQNOHCKIWJDK-SFHVURJKSA-N	377.400	2.006	0	1	GEAF	biogenic
O=C1COc2cc(-c3ccc4c(O)nc(O)nc4n3)c(Br)cc2N1	587366232	LNHABNXTBQDCAX-UHFFFAOYSA-N	389.165	2.196	0	1	GEAF	
CC1CCC(NS(=O)(=O)Cc2nc3nc(Br)c[nH]c-3n2)CC1	586952630	KAWWQSXFJQDJJJ-UHFFFAOYSA-N	388.291	2.065	0	1	GEAF	
CN1C(=O)c2c(ccc3c2OCO3)[C@@]2(C)[C@@H](O)Cc3cc4c(cc3[C@@H]12)OCO4	13408876	KUCVHCLYIAWDLU-SCWSEQNSSA-N	381.384	2.146	0	1	GEAF	biogenic,in-vitro
N=C(N)NCCC(=O)Nc1ccc(S[C@H](CC(=O)O)c2cccnc2)cc1	13589325	JQWBVYBYACCTPQ-OAHLLOKOSA-N	387.465	2.201	0	1	GEAF	
COc1ccc([C@H]2C(=O)NC(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1O	1857647834	WNQVDNJUOULNBQ-INIZCTEOSA-N	388.376	2.224	0	1	GEAF	
O=C(CN1CCC[C@H]1CO)Nc1ccc(OC2CCN(C3CCC3)CC2)cc1	209281960	HOZVMYDPSRZMDR-IBGZPJMESA-N	387.524	2.478	0	1	GEAF	
Cc1nc2nc(N3CCNCC3)nn2c(-c2ccc(Cl)cc2Cl)c1CN	58506687	IAWOEQFYWINZNN-UHFFFAOYSA-N	392.294	2.275	0	1	GEAF	
COC(=O)[C@@]1(c2ccc(Cl)cc2)C[C@H]1CN1CCN(c2ncccn2)CC1	28604352	JSJZBMMECIILOT-OXJNMPFZSA-N	386.883	2.383	0	1	GEAF	
CCCn1c(=O)c2[nH]c(C3CCC(CNC(C)=O)CC3)nc2n(CCC)c1=O	27421321	XFYITOILSTZMGV-UHFFFAOYSA-N	389.500	2.116	0	1	GEAF	
CN([C@@H]1CCc2c(CC(=O)O)c3ccccc3n2C1)S(=O)(=O)c1ccccn1	66112307	NOHCOUPVAPZIBR-CQSZACIVSA-N	399.472	2.299	0	1	GEAF	
COCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1coc2cc3occc3cc2c1=O	71340460	UGYSIYJDTJULMI-QGZVFWFLSA-N	398.371	2.357	0	1	GEAF	
O=C(Nc1ccc(F)cc1)N[C@@H]1CC[C@@H](CC(=O)N2CCCCC2)O[C@H]1CO	95906010	KCKILWFDBJPGIO-KSZLIROESA-N	393.459	2.258	0	1	GEAF	
O=C(Nc1ccc(F)cc1)N[C@@H]1C=C[C@@H](CC(=O)N2CCCCC2)O[C@H]1CO	95906042	GRROAJFSYBFQKD-KSZLIROESA-N	391.443	2.034	0	1	GEAF	
CCOC(=O)C[C@@H]1CNC(=O)c2cc(Br)c(Br)n21	28541948	ZUYPAYZEOBAJDN-ZCFIWIBFSA-N	380.036	2.251	0	1	GEAF	biogenic
O=S(=O)(c1ccc(Cl)c(-c2nc3c(O)nc(S)nc3[nH]2)c1)N1CCC1	586954722	FYOLJQYQKBGRHM-UHFFFAOYSA-N	397.869	2.062	0	1	GEAF	
COC(=O)[C@@H]1N2CCC(CC2)[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1	587587917	IRRXJIYEPOIUCZ-XJABCFGWSA-N	395.411	2.360	0	1	GEAF	
Cn1ncc([C@]2(C)N[C@H](C(=O)O)Cc3ccc(Oc4ccc(O)cc4)cc32)n1	962929072	RDXCVCBSFJFAIM-FXAWDEMLSA-N	380.404	2.175	0	1	GEAF	
COC(=O)C(=O)C[C@]1(c2cccnc2)N[C@@H](C)Cc2c(OC)ccc(OC)c21	963642358	YINQCVYCOJJMCB-YEJXKQKISA-N	384.432	2.009	0	1	GEAF	
O=C1CN(c2cccc(-c3n[nH]c4cnc(-c5cccnc5)cc34)n2)CCCN1	205269525	NMOUXRDKGIZNGE-UHFFFAOYSA-N	385.431	2.408	0	1	GEAF	
COc1ccc(OCCN2CCN(C(=O)c3cc4ccncc4[nH]3)CC2)cc1	205942559	PQDYOEMOWGGFPI-UHFFFAOYSA-N	380.448	2.408	0	1	GEAF	
COc1ccc(NC(=O)N2CCCC3(CCN(S(C)(=O)=O)CC3)C2)cc1	3956325	ZSJBVMMZNOJJKP-UHFFFAOYSA-N	381.498	2.365	0	1	GEAF	
Cc1ccc2cc3c(N)c(C(=O)Nc4c(C)[nH]c(=O)[nH]c4=O)sc3nc2c1	4848759	BCYQEHIZTIBVAC-UHFFFAOYSA-N	381.417	2.277	0	3	GEAF	
COC[C@H]1CC[C@@H](N2CCC(N3Cc4cccc(C(N)=O)c4C3=O)CC2)CC1	117398962	HTKJTEKPUISRBJ-JCNLHEQBSA-N	385.508	2.411	0	1	GEAF	
COc1ccc(S(=O)(=O)NC[C@@H]2COCc3nc4c(C)cccc4n32)cc1	2356300794	YAGQLKJPJPHQMW-CQSZACIVSA-N	387.461	2.403	0	1	GEAF	
CO[C@H]1CC[C@@H](N2CC(=O)Nc3ncc(-c4ccc(C(C)(C)O)nc4)nc32)CC1	113223062	ZGLONRFJOSBXER-SHTZXODSSA-N	397.479	2.482	0	1	GEAF	
COc1ccc(C(=O)N[C@H]2CCSc3ccccc32)cc1S(N)(=O)=O	60781802	ZKQYOMMTUKXQNU-ZDUSSCGKSA-N	378.475	2.310	0	1	GEAF	
CC=C1CN2[C@@H](OC)C[C@@]34C(=Nc5ccccc53)[C@H]2C[C@H]1[C@]4(CO)C(=O)OC	2356638558	JILJLVZWABVUDR-WVIAUDPISA-N	382.460	2.189	0	1	GEAF	
COc1ccc(-c2ccnc(N[C@@H]3CO[C@@H]4[C@H](NCC(C)C)CO[C@H]34)n2)cc1	2356824289	GUHHDORKOQQQPF-UAFMIMERSA-N	384.480	2.345	0	1	GEAF	
COC(=O)c1ccc(Cn2c(C)c(C(=O)NCc3ccco3)sc2=O)o1	61903314	NZCJICVRYOSNKD-UHFFFAOYSA-N	376.390	2.169	0	3	GEAF	
C[C@@H](NC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O)C(=O)Nc1ccccc1F	6166644	BXOQJBGROPBBGC-KFWWJZLASA-N	398.438	2.143	0	1	GEAF	biogenic
C[C@@H]1NS(=O)(=O)[C@H]2C[C@@H]3C=C[C@]2(O3)[C@H]1OC(=O)c1ccc(C(C)(C)C)cc1	36388025	ROWKHGXZVHDRAP-VAXKSQPESA-N	391.489	2.297	0	3	GEAF	
CCC(=O)Nc1ccc2c(c1)OC[C@@H](C)NC[C@H](C)[C@@H](OC)CN(C)C2=O	95688585	ACBVZQMFXFPRGI-IYOUNJFTSA-N	377.485	2.129	0	1	GEAF	
COc1ccc(S(=O)(=O)Nc2nnc(-c3ccc4c(c3)OCCO4)o2)cc1	95665421	PVUISMQRVWGWSZ-UHFFFAOYSA-N	389.389	2.317	0	3	GEAF	
COc1ccc(NC(=O)[C@H]2OC(c3cccs3)=NN2C(C)=O)cc1OC	299852815	XXTQLFJQACJDMA-QGZVFWFLSA-N	375.406	2.270	0	1	GEAF	
CCCc1c(O)ccc2c1O[C@](c1ccc(NC(C)=O)cc1)(C(O)O)CC2=O	587470052	LPRYPHGMFVMUAS-OAQYLSRUSA-N	385.416	2.475	0	1	GEAF	
O=C1C=CC(=O)N1c1ccc(CC(=O)n2ncc3ccc(Cl)cc3c2=O)cc1	587653560	BOSVSESWDQIXFL-UHFFFAOYSA-N	393.786	2.362	0	1	GEAF	
Cc1cc2c(cc1O)[C@@H](c1ccc3c(ccn3CC(=O)O)c1)N[C@H](C(=O)O)C2	963528628	UXIRUOWPPLHQPU-OXJNMPFZSA-N	380.400	2.428	0	1	GEAF	
Cc1cc(NC(=O)c2cccc(S(=O)(=O)NC3(C)COC3)c2)ccc1F	221635140	AEDXNLAVWHQAJX-UHFFFAOYSA-N	378.425	2.454	0	1	GEAF	
O=C(NCCc1ccccc1)[C@@H]1CCCN1S(=O)(=O)CCc1ccccc1	13441865	RIFTYCPPGITQBA-FQEVSTJZSA-N	386.517	2.382	0	1	GEAF	
CS(=O)(=O)c1n[nH]c(-c2ccc(=O)n(Cc3ccc(Cl)cc3Cl)c2)n1	1857752537	CZLWLDNCMNURAO-UHFFFAOYSA-N	399.259	2.392	0	1	GEAF	
OC1(c2cccnc2)C[C@@H]2CC[C@H](C1)N2Cc1nnnn1Cc1ccccc1	1348674	VIDSENMALPAQSX-PMSBKCLSSA-N	376.464	2.131	0	3	GEAF	
CC(C)NC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCCCC3)cc12	2464761	LUAVPGJHHDHWAC-UHFFFAOYSA-N	391.493	2.231	0	1	GEAF	
COc1cc2cc(OC)c1OCCOCCOc1ccc(cc1)[C@@H](O)[C@H]2O	28954108	FKIRDIRTGCLHBL-MOPGFXCFSA-N	376.405	2.259	0	1	GEAF	
CCCCn1c(=O)[nH]c2nc(-c3cnn(Cc4cccc(F)c4)c3)[nH]c2c1=O	29037288	JBGRNTKBOQPADE-UHFFFAOYSA-N	382.399	2.264	0	1	GEAF	
COC(=O)[C@@H]1C[C@@]23C4=C(CC[C@@H]41)CC[C@H]1CN4C[C@@H](C)[C@](O)(CC[C@@]12CO)[C@H]43	2356683936	HGIXVDMBHFEREO-ZNHKSTQKSA-N	387.520	2.120	0	1	GEAF	
C1=CC(c2noc([C@@H]3CCCN3Cc3ccncc3)n2)=C[C](N2CCOCC2)N1	2356852380	BHHYUHRQEPOITK-SFHVURJKSA-N	393.471	2.124	0	1	GEAF	
CN[C@@H](C)C(=O)N[C@H]1COc2ccccc2N(Cc2cccc(Cl)c2)C1=O	144198922	PQRLHLPVCHREAB-BBRMVZONSA-N	387.867	2.358	0	1	GEAF	
COCC(=O)NC[C@H]1[C@H](c2ccc(C3=CCCC3)cc2)[C@H](CO)N1C(=O)C1CC1	95895876	QFILKHAMRPHMJJ-ONTIZHBOSA-N	398.503	2.082	0	1	GEAF	
O=C(c1ccccc1)c1cccc(C=c2nc(O)c(=Cc3ccccn3)nc2O)c1	299820106	CDRIOEPHHOSTPX-UHFFFAOYSA-N	395.418	2.171	0	1	GEAF	
C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc3c(cc2[nH]1)OCCCO3	586960172	WAPDUGWXBDBWJG-GOSISDBHSA-N	389.433	2.193	0	1	GEAF	
O=C(Nc1ccnn1C1CCN(Cc2cc[nH]n2)CC1)c1ccc2c(c1)OCO2	11663493	QKLPOHXFWRHERS-UHFFFAOYSA-N	394.435	2.424	0	1	GEAF	
COCCOc1n[nH]c2cc(NC(=O)N[C@@H](COC)c3ccccc3)ncc12	209379172	GVQAWIRBPFLXTH-INIZCTEOSA-N	385.424	2.492	0	1	GEAF	
Cc1nc2nc(CNC(=O)c3ccccc3)nn2c(C)c1CCC(=O)NC(C)C	6808283	FWQOAJLVVOYXKQ-UHFFFAOYSA-N	394.479	2.128	0	1	GEAF	
CN(C1CCCCC1)S(=O)(=O)c1ccc2c(c1)c(=O)c(C(=O)O)cn2C	6919133	CCEUVIDRRHXJTC-UHFFFAOYSA-N	378.450	2.190	0	3	GEAF	
CC(C)(CC(=O)NC1CC1)CC(=O)NC1[C@@H]2CC3C[C@@H]1CC(C(=O)O)(C3)C2	101272422	AOPXWZBVYOUGAH-JUNIGSPFSA-N	376.497	2.467	0	1	GEAF	
CC1(C)Oc2cc(O)ccc2[C@@H]2C1=CCn1c(=O)n(-c3ccc(F)cc3)c(=O)n12	72107081	ZFDIKBZOHWEAAK-GOSISDBHSA-N	395.390	2.346	0	1	GEAF	
Cn1cc(-c2ccc3[nH]nc(-c4cc(N5CCn6ncnc6C5)ncn4)c3c2)cn1	225553986	QHFDIYQQHYXEHI-UHFFFAOYSA-N	398.434	2.032	0	1	GEAF	
C/C=C/c1ccc([C@H]2[C@@H](CO)N(CC3CC3)C23CN(S(=O)(=O)CC)C3)cc1	95871820	ABJBORQRFBZDAM-BWXLTGRJSA-N	390.549	2.294	0	1	GEAF	
COCC(=O)N(C[C@@H]1N[C@H](CO)[C@H]1c1ccc(-c2cccnc2)cc1)C(C)C	95895191	LCMOQOZTZIIBJI-VWPQPMDRSA-N	383.492	2.048	0	1	GEAF	
COc1ccc(CN2C(=O)CO[C@@H]3CN(Cc4ccccc4OC)C[C@H]32)cc1	1203432319	PHUBFIOUZGHQIY-TZIWHRDSSA-N	382.460	2.316	0	1	GEAF	biogenic
CC1CCC(NS(=O)(=O)Cc2nc3cc4c(cc3[nH]2)NC(=O)CC4)CC1	586952003	AACMTLDOLLLJQG-UHFFFAOYSA-N	376.482	2.446	0	1	GEAF	
COc1cccc2c(C(=O)NCc3nc(C(C)(C)O)ccc3C)nc(N)nc12	1772633749	XMPIJYCSTJDUJC-UHFFFAOYSA-N	381.436	2.081	0	1	GEAF	
Cc1ccc(CNC(=O)C[C@@H]2N=C3c4ccccc4NC(=S)N3C2=O)cc1	2966931	UCPROVMQTQBZHD-INIZCTEOSA-N	378.457	2.369	0	3	GEAF	
CCC(C)=CC(=O)O[C@@H]1CC(C(=O)OC)=C[C@H](O)[C@H]1OC(=O)C=C(C)CC	2356374891	JBACGGCHMOGCEM-FRQCXROJSA-N	380.437	2.387	0	1	GEAF	
CC(=O)NC[C@H]1CN(c2ccc(N3CCC(=C[C@H](C)O)CC3)c(F)c2)C(=O)O1	26293318	WUYCZUNBQGMRAL-GUYCJALGSA-N	391.443	2.194	0	1	GEAF	
CC[C@H]1CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C(C)(C)C)C[C@@H]1N	28765791	DACDWPSMANLDGM-HZMBPMFUSA-N	376.432	2.162	0	1	GEAF	
NCc1cc(=O)n(C2CC2)c2c(OC(F)F)c(N3C[C@H]4C[C@]4(N)C3)c(F)cc12	1911584913	WBQPBOQTMQMNTC-DGIBIBHMSA-N	394.397	2.073	0	1	GEAF	
C[C@]1(c2cc(NC(=O)c3ccc(Cl)cn3)cnc2F)N=C(N)O[C@@H]2C[C@@H]21	220652368	LFPQUTJLZYXZEW-GDKCJGSASA-N	375.791	2.470	0	1	GEAF	
O=C(CO)Nc1cnc2ncn(Cc3ccc(Cl)c(Cl)c3)c(=O)c2c1	40875834	SYRGPVPKQWDULB-UHFFFAOYSA-N	379.203	2.077	0	1	GEAF	
CCC(=O)Nc1ccc2c(c1)OC[C@@H](C)NC[C@H](C)[C@H](OC)CN(C)C2=O	95688587	ACBVZQMFXFPRGI-PMUMKWKESA-N	377.485	2.129	0	1	GEAF	
CC(=O)NC[C@@H]1[C@@H](c2ccc(-c3cccnc3)cc2)[C@@H](CO)N1C(=O)C1CCC1	95894910	ABMCTRXCSJHXAW-YPAWHYETSA-N	393.487	2.340	0	1	GEAF	
CCN1C(=O)N[C@@H]2C[C@H](C(=O)N[C@H](c3nc(C)cs3)C3CC3)CC[C@H]2C1=O	618015468	WDWNMQJJWJUBIS-TUVASFSCSA-N	390.509	2.375	0	1	GEAF	
OC[C@@H](O)c1cccc(-n2ncc3c(NCCc4ccccc4)ncnc32)c1	621477646	RRRZUDSRCZMDGN-LJQANCHMSA-N	375.432	2.496	0	1	GEAF	
Cc1ccc(-c2nc3ccc(C(=O)N4CCN(CCO)CC4)cc3[nH]2)c(F)c1	587146747	VCSYIMWRYUFZQO-UHFFFAOYSA-N	382.439	2.428	0	1	GEAF	
O=P(O)(O)[C@H](NCCc1ccccc1)c1cccc2nc(O)c(O)nc12	13440509	HQJLJWGABWOSHH-KRWDZBQOSA-N	375.321	2.050	0	1	GEAF	
CCc1ncc(CN[C@@H]2CC(C)(C)Cc3nc(N4CCOCC4)ncc32)cn1	14956537	XDQNALOKWPTNKT-QGZVFWFLSA-N	382.512	2.469	0	1	GEAF	
Cc1nc2ccn(Cc3cccnc3)c(=O)c2cc1C(=O)NC[C@@H]1CCCO1	6915322	RGOSFEJORGUWDT-INIZCTEOSA-N	378.432	2.057	0	1	GEAF	
C[C@@H](N)[C@@H]1CCN(c2c(F)c(N)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C1	27997564	SQCBNHVQFOMYMV-RKDXNWHRSA-N	392.406	2.069	0	1	GEAF	
Cc1noc2ncnc(N3CCC(C(=O)NCCN4CCCC[C@H]4C)CC3)c12	20944877	BNVVMWWAOHWJIM-CQSZACIVSA-N	386.500	2.133	0	1	GEAF	
COc1cc(O)cc([C@@H]2O[C@H](c3ccc(O)c(OC)c3)[C@@H](CO)[C@@H]2CO)c1	2356506317	JUDXJGZHVSKZFH-FEHORTKBSA-N	376.405	2.145	0	1	GEAF	
COc1ccc([C@@]2(C(C)=O)c3cc4c(cc3C(=O)[C@@]2(C)O)OCO4)cc1OC	2356694898	MEAISABYZJYHCH-RTWAWAEBSA-N	384.384	2.255	0	1	GEAF	
COCCN[C]1C=C(c2noc([C@@H]3CCCN3Cc3cccnc3)n2)C=CN1	2356818511	NGKRZGIRUHQUCB-KRWDZBQOSA-N	381.460	2.027	0	1	GEAF	
Cc1cccc(CN2CCN([C@@H]3CN(C4CCCCC4)S(=O)(=O)C3)CC2)c1	72138644	GFZSJQAITMYLIK-OAQYLSRUSA-N	391.581	2.459	0	3	GEAF	
O=C([C@@H]1CCCN1C(=O)c1csc(-c2ccccc2)n1)N1CCCNCC1	82072986	CUFSJVKPVWJZKD-KRWDZBQOSA-N	384.505	2.237	0	1	GEAF	
C[C@@H](NC(=O)c1csc(-c2ccc(Cl)cc2)n1)C(=O)N1CCCNCC1	82083309	OWRJHRCXYWTBII-GFCCVEGCSA-N	392.912	2.404	0	1	GEAF	
CO[C@H]1[C@@H]2[C@@](C)([C@H](O)CC=C(C)C)N(c3ccccc3)C[C@@]2(O)CC[C@H]1O	199723552	MBGGQLNCLOMAGZ-ILHTXMRTSA-N	375.509	2.500	0	3	GEAF	
CC[C@@H]1C2=C3N(CCCC2)[C@H]([C@@H]2C[C@H](C)C(=O)O2)C[C@]3(O)[C@@H]2[C@H](C)C(=O)O[C@H]12	238742568	NRAYVMDGNDSGJU-HLGPLMICSA-N	389.492	2.399	0	1	GEAF	
Cc1ccnn1CC(=O)N1CCc2cc(-c3cn(C)c4ncnc(N)c34)ccc21	96285836	RXXGEDHZTUZWNP-UHFFFAOYSA-N	387.447	2.312	0	1	GEAF	
CC(=O)N1CCC(c2nccnc2OC2CN(c3nc4ccccc4[nH]3)C2)CC1	96169000	BUKCNYWSMVRIFI-UHFFFAOYSA-N	392.463	2.346	0	1	GEAF	
C=CS(=O)(=O)N[C@H]1CCCN(C(=O)c2ccc(-c3ccc(O)cc3)o2)C1	621485830	OMEVKDQVOLJWHX-AWEZNQCLSA-N	376.434	2.320	0	1	GEAF	
C[C@@H](NC(=O)Nc1cc2[nH]nc(OC[C@@H]3CCC(=O)N3)c2cn1)c1ccccc1	1772621400	OPEHPDBZMKVXGE-OCCSQVGLSA-N	394.435	2.498	0	1	GEAF	
CCOC(=O)/C=C1/C(=O)N(CC(=O)OCC)c2ccc(Br)cc21	169321216	YISNRWUJFKMIGC-XYOKQWHBSA-N	382.210	2.305	0	1	GEAF	
O=C(NCc1ccccc1)Nc1cscc1-c1nc(C(=O)O)c(O)c(=O)[nH]1	3582270	UPMOLWVUGDAMOW-UHFFFAOYSA-N	386.389	2.224	0	1	GEAF	
CN(CCCc1ccccc1)C[C@H](O)COc1ccc(NS(C)(=O)=O)cc1	29346966	ORKMFOIFCLTNRB-IBGZPJMESA-N	392.521	2.362	0	1	GEAF	
CN[C@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)O	26840422	IJJCVNWFPAZCQT-WOJBJXKFSA-N	382.460	2.178	0	1	GEAF	
CC=C(C)C(=O)O[C@H]1C[C@H]2C[C@H](OC(=O)C=C(C)C(=O)OCC)C[C@H]1N2C	2356668788	BMCYUBMWFPFWQQ-TWMKSMIVSA-N	379.453	2.152	0	1	GEAF	
COc1ccc([C@@H]2COc3c(OC)c(OC)c(OC)c(O)c3C2=O)cc1N	73240715	SDRKSQBSORLAKL-JTQLQIEISA-N	375.377	2.368	0	1	GEAF	
COC[C@@H](NC(=O)Nc1cc2[nH]nc(N3CC(OC)C3)c2cn1)c1ccccc1	210699193	QTRYCDCPKFVCFZ-QGZVFWFLSA-N	396.451	2.302	0	1	GEAF	
COc1cc(S(=O)(=O)n2c(C)c(CC(=O)O)c3cccnc32)ccc1F	43073803	KLZALHRLXXRMDK-UHFFFAOYSA-N	378.381	2.357	0	1	GEAF	
O=C(C[C@@H]1CC[C@@H](NC(=O)CC2CC2)[C@@H](CO)O1)NCc1ccc(Cl)cc1	95677592	QFAVGRCFIOJHOR-RCCFBDPRSA-N	394.899	2.171	0	1	GEAF	
C=CC(=O)N1CCC[C@@H](n2nc(-c3cccc(OC)c3)c3c(N)ncnc32)C1	95580310	QNXOPKBSBYKCNE-CQSZACIVSA-N	378.436	2.434	0	1	GEAF	
CC(=O)NC[C@@H]1[C@H](c2ccc(-c3cccnc3)cc2)[C@H](CO)N1C(=O)C1CCC1	95894913	ABMCTRXCSJHXAW-FSSWDIPSSA-N	393.487	2.340	0	1	GEAF	
O=C(N[C@@H]1CC[C@@H](CCn2cc(C3CCCC3)nn2)O[C@H]1CO)c1cccnc1	95794215	JAHQNXWPFXREPC-NSHGMRRFSA-N	399.495	2.059	0	1	GEAF	
CNC[C@H]1Oc2ncc(-c3ccc(OC)cc3)cc2C(=O)N([C@H](C)CO)C[C@H]1C	95732224	KUOLKNDJLDMVPT-STXHMFSFSA-N	399.491	2.197	0	1	GEAF	
CCCN1[C@@H](C)Cc2ccccc2[C@@]1(CC(C)=O)C1C(=O)N(C)C(=O)N(C)C1=O	963243033	RBNYDQVEVTXRGK-FPTDNZKUSA-N	399.491	2.184	0	1	GEAF	
Cc1nn(C)c(C)c1S(=O)(=O)N1CCC(C(=O)NC2CCCCCC2)CC1	5005319	IZCCBAHCURDZKE-UHFFFAOYSA-N	396.557	2.277	0	3	GEAF	
COC(=O)[C@@]1(C)N[C@@H](c2ccccc2C)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21	12496986	RHVGEUXBJDKUEV-SUWCGCSTSA-N	378.428	2.377	0	1	GEAF	
NCCC[C@@H](N)C(=O)N[C@H](CCc1ccccc1)[C@@H](O)c1nc2ccccc2o1	13587009	IQUNHRSAXJCRKQ-YVWKXTFCSA-N	396.491	2.045	0	1	GEAF	
COc1cccc([S@@](=O)c2nc3c(N)ncnc3n2CCOC(C)C)c1	13642827	VYMNYUOAXXFCKF-SANMLTNESA-N	375.454	2.009	0	1	GEAF	
COc1cc(C(C)C)c2c(c1)S(=O)(=O)N(COc1cc(C)oc(=O)c1)C2=O	13744329	PEJCTBILKVXCDY-UHFFFAOYSA-N	393.417	2.261	0	1	GEAF	
CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCNC(=O)NC(C)=O	169321461	XNHKTJFIJNALDN-PYENLLASSA-N	396.528	2.024	0	1	GEAF	
O=C(C(=O)N1CCN(C(=O)c2cccc(F)c2)CC1)c1c[nH]c2ccccc12	3591504	WWMYKXKQLMBMHO-UHFFFAOYSA-N	379.391	2.474	0	1	GEAF	
O=C(Nc1cccc(F)c1)N1CC2(CCN(C(=O)c3csnn3)CC2)C1	3956338	ROGIHKKKQHKQBY-UHFFFAOYSA-N	375.429	2.447	0	1	GEAF	
COCC(=O)N[C@@H]1[C@H](c2ccccc2)N(Cc2c(C)noc2C)CC[C@]1(C)O	2356330233	PWJRHLOMAXLBAS-HBMCJLEFSA-N	387.480	2.121	0	1	GEAF	
COC(=O)[C@@]12C[C@H]3C[C@H]([C@@H](C)O)[C@H]1N(CCc1c2[nH]c2cc(OC)ccc12)C3	100163030	XGWIRMWTCWJZPG-VSLTUUIOSA-N	384.476	2.235	0	1	GEAF	
C[C@@]1(C(=O)NS(=O)(=O)c2ccccc2)CCN1C(=O)CCc1ccccc1	61927896	PHFPTYBBTIHNEE-FQEVSTJZSA-N	386.473	2.115	0	3	GEAF	
O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@](O)(c2c[nH]c3ccccc23)C(=O)N1	14585624	GRSYCGMRONDEOH-LAUBAEHRSA-N	375.384	2.011	0	1	GEAF	biogenic
CN1C[C@@H](Oc2ccc(F)cc2)C[C@@H]1C(=O)N1CCCN(C2CCC2)CC1	49089423	BWOAFDUOQSWLKC-VQTJNVASSA-N	375.488	2.364	0	1	GEAF	
Cc1ccccc1-c1nc(C(=O)N[C@H](Cc2ccccc2)C(=O)OCCN)co1	82069097	IDYLVWMYMVRCRR-GOSISDBHSA-N	393.443	2.493	0	1	GEAF	
Cc1ccc(-n2nccn2)c(C(=O)N2[C@H]3CC[C@H]2[C@H](COc2ccncc2)C3)n1	226077748	ZJHCRHAIPQRCBA-BQFCYCMXSA-N	390.447	2.438	0	1	GEAF	
COc1cc(CCC(=O)C[C@H](O)CCc2ccc(O)c(OCO)c2)ccc1O	85626739	JUSRVNCGYITAAO-QGZVFWFLSA-N	390.432	2.321	0	1	GEAF	biogenic,in-vitro
CCOC(=O)COC(=O)c1c(CC)n(O)c2cc(Cl)c(Cl)cc2[n+]1=O	137260947	COACJRNFUFIMOI-UHFFFAOYSA-N	390.199	2.382	0	1	GEAF	
O=C(NC1[C@H]2CC3C[C@@H]1CC(O)(C3)C2)c1cnc(N[C@@H]2CCOC2)nc1C1CC1	95576996	DFVVWZTUNUJGGE-BFDJGXBFSA-N	398.507	2.224	0	1	GEAF	
Cc1nn(C)c(C)c1[C@]1(C(N)=O)N[C@H](C)Cc2cc(Br)c(F)cc21	587754476	DOWWRTGPHPAHPD-CQLKUDPESA-N	395.276	2.202	0	1	GEAF	
COc1cc2c3c(c1)O[C@@]1(C(=O)Nc4cc5c(cc41)OCCCO5)[C@@H](C2)C3=O	587438581	GSSWXRNZPPCNPL-YEJXKQKISA-N	379.368	2.452	0	1	GEAF	
COC(=O)[C@@H]1Cc2ccc(OC)cc2[C@]12N[C@H](C(=O)O)Cc1cc(F)ccc12	962892655	GLWWSXOGPSUBNE-WFXMLNOXSA-N	385.391	2.022	0	1	GEAF	
CONC(=O)c1cn(C)c(=O)c(F)c1Nc1ccc(Br)cc1F	13679358	AROVPXKNYNWWMA-UHFFFAOYSA-N	388.168	2.461	0	1	GEAF	
O=C(Nc1ncnc2[nH]cnc12)c1cccc(-c2ccc(-c3nn[nH]n3)cc2)c1	1857550758	DFYOBEYBICPXGN-UHFFFAOYSA-N	383.375	2.452	0	1	GEAF	
Nc1ncnc2c1c(-c1ccc(F)c(Cl)c1)cn2[C@@H]1O[C@H](CO)C[C@H]1O	1857603202	OJQHFRSCJWNEFI-VNQQYTOKSA-N	378.791	2.114	0	1	GEAF	
CCOc1cccc([C@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCCOCCO)c1	4049467	DYUDSNKGZBJWIW-TZIWHRDSSA-N	398.459	2.302	0	1	GEAF	
Cc1nccc(C[C@H]2[C@@H](CO)[C@H](O)C[C@H]2NCc2ccc(C(F)(F)F)cc2)n1	2356289345	UDLSABIBQSHRSF-WJFTUGDTSA-N	395.425	2.494	0	1	GEAF	
CC(=O)Nc1ccc(CC[C@@H](C)NC[C@@H](O)c2ccc(O)c(C(N)=O)c2)cc1	27740669	OSEWZPSLFHONKO-ZUOKHONESA-N	385.464	2.094	0	1	GEAF	
C[C@H]1CN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(O)cc2)C[C@H]1N	28457175	UGZBXQQGAZNVHF-APPDUMDISA-N	397.406	2.317	0	1	GEAF	
Cc1nc(N)nc2c1cc(-c1ccc(N(C)C)nc1)c(=O)n2[C@H]1CC[C@@H](O)CC1	116032226	OHMFGJKOMBKYNM-SHTZXODSSA-N	394.479	2.286	0	1	GEAF	
NC(=O)c1ccc(-c2cc3c(N[C@H]4CCCNC4)ncc(C(N)=O)c3s2)cc1	64573400	BVDWZUJVQLRUTH-ZDUSSCGKSA-N	395.488	2.325	0	1	GEAF	
COc1ccc(-c2oc3c(O)c(OC)c(OC)c(O)c3c(=O)c2OC)cc1N	66251163	NLVWDXORQZFHBE-UHFFFAOYSA-N	389.360	2.488	0	1	GEAF	
O=C1O[C@H](c2ccc3c(c2)OCO3)[C@@H]2C(=O)O[C@H](c3ccc4c(c3)OCO4)[C@H]12	1613519	APOQDYUENSVQGT-BRSBDYLESA-N	382.324	2.272	0	1	GEAF	biogenic
COc1cc(O)cc([C@H](O)[C@@H]2CO[C@@H](c3ccc(O)c(OC)c3)[C@@H]2CO)c1	14435951	PMLAAAIZDRPWMW-YKCBXCCJSA-N	376.405	2.145	0	1	GEAF	biogenic
CC(C)CCN(C)Cc1cn(C[C@H](O)COC(=O)NCc2ccccc2)nn1	82155434	DNUUBMUPAYOZIJ-IBGZPJMESA-N	389.500	2.043	0	1	GEAF	
C/C=C(\C)C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@H]1C(=O)N[C@@H](C)CO	82197099	DVZGHGCCBKFRTA-ARXQKINPSA-N	388.508	2.069	0	1	GEAF	
CSCC(=O)N[C@@H]1CCN2C(=O)c3cc(-c4ccco4)ccc3NC(=O)[C@H]2C1	25189796	VCPJSLFVFWWPDW-CZUORRHYSA-N	399.472	2.351	0	1	GEAF	biogenic
CCCN(CCCC[C@@H](NC(C)=O)C(=O)NCc1ccccc1)C(=O)NC	5784923	PGEYDFDYTWAVDU-GOSISDBHSA-N	376.501	2.029	0	1	GEAF	
COc1cccc(N2CCN(C[C@H]3CN=C4c5ccccc5NC(=O)N43)CC2)c1	13832336	UAGNYVZZZZFXBQ-QGZVFWFLSA-N	391.475	2.494	0	1	GEAF	
COC(=O)[C@]1(C)N[C@@H](c2ccccc2C)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21	169296905	RHVGEUXBJDKUEV-QSNWEANLSA-N	378.428	2.377	0	1	GEAF	
COc1cc(CC2=C(O)[C@@](C)(C(=O)NC(C)(C)C)OC2=O)cc(OC)c1OC	26845805	BXTBNWQAOZKZTN-FQEVSTJZSA-N	393.436	2.297	0	1	GEAF	
O=C1C(Cl)=CC2(Oc3cccc4cccc(c34)O2)[C@]23O[C@]12[C@H](O)C=CC3=O	14636375	QOHACKCQESTVCI-XMCHAPAWSA-N	382.755	2.020	0	1	GEAF	biogenic
O=S(=O)(c1ccc(Cl)cc1)N1Cc2c[nH]nc2C[C@H]1c1cncnc1	49111542	DHZZUOUZBFLGOY-INIZCTEOSA-N	375.841	2.341	0	1	GEAF	
O=C(NC[C@@H]1CCCO1)[C@H]1CCCN1c1nc(-c2cc(O)cc(O)c2)cs1	82194778	VVPASIIKXCDUJU-DOTOQJQBSA-N	389.477	2.485	0	1	GEAF	
NC(=O)[C@H]1CCN(C(=O)c2ccc3c(c2)[C@@](O)(C(F)(F)F)c2ccccc2-3)C1	144756686	JDQOSRZTNBJXFU-HXPMCKFVSA-N	390.361	2.413	0	1	GEAF	
C[C@@H]1C(c2ccc3c(c2)NC(=O)CO3)=C(c2ccc(F)cc2)C(=O)N1CCO	96283365	DUZYYZCQMINTFP-GFCCVEGCSA-N	382.391	2.290	0	1	GEAF	
CC[C@@H](C(=O)N1CCN(c2cccc(Cl)c2)CC1)N1C(=O)C[C@@H](C)C1=O	653788961	KPLLWJAAXAZXAD-CJNGLKHVSA-N	377.872	2.162	0	1	GEAF	
CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1	587204649	QTXDRLNFBMBMHZ-ZCFIWIBFSA-N	392.769	2.056	0	1	GEAF	
N=c1[nH]cc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)nc-2[nH]1	586959874	LMTKJLXRXPCNOK-RCBQFDQVSA-N	398.492	2.412	0	1	GEAF	
NS(=O)(=O)c1ccc(F)c(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c1	587142341	VXXCKQWKJVNLOP-UHFFFAOYSA-N	395.725	2.430	0	1	GEAF	
COC(=O)c1cc(Cl)c2[nH]c([C@@H](CC(N)=O)NC(=O)CC(C)C)nc2c1	587203123	IFJRUFHIWMQWOC-GFCCVEGCSA-N	380.832	2.082	0	1	GEAF	
Cc1nc2[nH]c([C@@H](CC(N)=O)NC(=O)CC(C)C)nc2cc1Br	587203828	MKIVOGLVBKTNDP-LLVKDONJSA-N	382.262	2.108	0	1	GEAF	
COC(=O)[C@@H]1N2CCC(CC2)[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1	587587914	IRRXJIYEPOIUCZ-RBDMOPTHSA-N	395.411	2.360	0	1	GEAF	
Cc1c(O)ccc2c1[C@@H](c1ccc(OC3CCOCC3)nc1)N[C@H](C(=O)O)C2	963466761	FJJOGYFKSJADLM-OXJNMPFZSA-N	384.432	2.342	0	1	GEAF	
COc1cc2c(cc1OC)[C@@]1(C(=O)Nc3cc(C(=O)O)ccc31)N(C)[C@@H](C)C2	962618055	DVNYVAOIYLISOD-MQJDWESPSA-N	382.416	2.474	0	1	GEAF	
NC(=O)c1cnc(N2CCC[C@@H](N)C2)nc1Nc1cccc(C(F)(F)F)c1	210768796	ASMLDRAEBPYENO-LLVKDONJSA-N	380.374	2.265	0	1	GEAF	
Nc1ncnc2c1ncn2C[C@H](O)COc1ccc(C(=O)c2ccccc2)cc1	169318247	XPVSQKQBVOIBFX-INIZCTEOSA-N	389.415	2.079	0	1	GEAF	
Cc1cccc2c1B(O)O[C@@H](c1ccc(C(=N)N)c(OCc3cccnc3)c1)C2	1857560624	ATSZLVKWSVRBLA-LJQANCHMSA-N	387.248	2.255	0	1	GEAF	
COc1ccc(C)cc1OC1CN(S(=O)(=O)c2ccc3c(c2)OCO3)C1	1857648430	QTNUBSMFBHXNQP-UHFFFAOYSA-N	377.418	2.184	0	1	GEAF	
N=C(N)c1ccc(NC(=O)CCC(=O)N[C@H](CC(=O)O)c2ccccc2)cc1	13741891	UXEYSFIKRMTLNN-MRXNPFEDSA-N	382.420	2.022	0	1	GEAF	
C[C@](O)(C(=O)Nc1ccc(S(=O)(=O)c2cccc(O)c2)cc1)C(F)(F)F	13760151	JQXOEXCBLVHYEO-HNNXBMFYSA-N	389.351	2.477	0	1	GEAF	
COc1ccc(CN2CCC[C@@H](O)[C@H](NC(=O)c3ccc(OC)cc3)C2)cc1	15672048	HEAJUTKWXWOZDG-NHCUHLMSSA-N	384.476	2.459	0	1	GEAF	biogenic
CO[C@@H]1O[C@@H](C)[C@@H](NC(=O)OCC(Cl)(Cl)Cl)[C@@H]2OC(C)(C)O[C@H]21	17220514	YFKJKRUBPJRRGY-SQXHDICFSA-N	392.663	2.363	0	1	GEAF	
CC(=O)Oc1c(C)c(C)c(OC(C)=O)c2c1[C@H](OC(C)=O)O[C@H]2OC(C)=O	27712392	URISUIIXCQACQI-QZTJIDSGSA-N	380.349	2.308	0	1	GEAF	
CCNC[C@H]1CCN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C(C)(C)C)C1	28767482	OIAGICXRRZIQDE-GFCCVEGCSA-N	390.459	2.425	0	1	GEAF	
Cn1cc(Br)c(C(=O)N2CCN(CCc3cccc(F)c3)CC2)n1	58548558	MMCDYTKWOGXBIZ-UHFFFAOYSA-N	395.276	2.322	0	1	GEAF	
CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@H](C)NC[C@H]1C	95679880	CWLHXXSWRNJMCP-TYILLQQXSA-N	389.496	2.129	0	1	GEAF	
C/C=C/c1ccc([C@H]2[C@@H](CO)N(S(C)(=O)=O)[C@@H]2CN(CCC)C(C)=O)cc1	95794419	VZUWAGSFAXWGLY-YJARZKMDSA-N	394.537	2.067	0	1	GEAF	
N=C(N)c1ccc(COc2ccc(C(=N)N)cc2I)cc1	96910508	SGJKGZYNSKMOEM-UHFFFAOYSA-N	394.216	2.438	0	1	GEAF	
CC[C@]1(C(=O)OC)N[C@@H](c2ccco2)[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21	169304307	DTNZJRSIQGJGHG-VWXURSGXSA-N	382.416	2.360	0	1	GEAF	
CCOC(=O)CC[C@@]1(CC(=O)OCC)NC[C@H]2CC(=O)N(C)c3cccc1c32	963020395	FWLMKERCLXUDLZ-SZNDQCEHSA-N	388.464	2.232	0	1	GEAF	
CC=C1CN2[C@H]3C[C@]45c6cc(OC)cc(OC)c6N[C@@]4(O3)[C@H]2C[C@H]1[C@H]5C(=O)OC	2356382793	OCJLZJDDQJQQPJ-OPEAVJDHSA-N	398.459	2.263	0	1	GEAF	
COC(=O)C1=CCC[C@H]2[C@@](C)(CCC3=C[C@H](O)OC3=O)[C@@H](C)CC[C@]12CO	2356564769	BYFSMZRCILPVAM-QWFPDTJYSA-N	378.465	2.493	0	1	GEAF	
c1cc(CNC[C@@H]2Cn3c(-c4ccc5c(c4)OCCO5)cnc3CO2)ccn1	2356737900	ZBJUYBDMTAXEOD-QGZVFWFLSA-N	378.432	2.405	0	1	GEAF	
COCCNC(=O)[C@@]1(C)CCN(C(=O)COc2ccc(Cl)cc2Cl)C1	61908400	PLCMXUIOKPTNJA-KRWDZBQOSA-N	389.279	2.373	0	3	GEAF	
Cc1ccc(NC(=O)[C@H]2[C@H]3C=C[C@@]4(CN(Cc5cccnc5)C(=O)[C@H]24)O3)cc1	251268804	KKELNQXQWMMKDJ-GHDARCQNSA-N	375.428	2.311	0	3	GEAF	
Nc1ncnc2c1ncn2CCOC[P@@]1(=O)OCC[C@@H](c2ccoc2)O1	28974824	RSGKJEUTMCZUGN-GWQKEKGPSA-N	379.313	2.347	0	1	GEAF	
CC(C)n1c(=O)c(NC(=O)CCc2cccnc2)c2n(c1=O)[C@@H]1CCCC[C@H]1N2	82206021	FSOJWKVLTHVOPW-HZPDHXFCSA-N	397.479	2.466	0	1	GEAF	
COc1ccc2c(c1)N(C(C)=O)[C@H]1[C@@H]3[C@@H](OC)OC=C4CN5CC[C@]21[C@@H]5C[C@@H]43	238778979	KISKJMKSADKAMN-XEEILAJESA-N	382.460	2.279	0	1	GEAF	
COCC(=O)N(C[C@H]1N[C@@H](CO)[C@@H]1c1ccc(-c2cccnc2)cc1)C(C)C	95895194	LCMOQOZTZIIBJI-RZUBCFFCSA-N	383.492	2.048	0	1	GEAF	
N[C@H](C(=O)N1CCSC1)[C@H]1CC[C@H](NC(=O)c2ccc(F)c(F)c2)CC1	253636947	XQBOWELYOBLTAR-RBOXIYTFSA-N	383.464	2.114	0	1	GEAF	
Cc1cc(S(N)(=O)=O)ccc1OCc1nc2cc(Br)cnc2[nH]1	586929508	DQLPVMNOCDHYMT-UHFFFAOYSA-N	397.254	2.255	0	1	GEAF	
CCS(=O)(=O)NCCCc1nc2cc(Br)c(F)c(F)c2[nH]1	586942281	IYHJCDSXFRLEFO-UHFFFAOYSA-N	382.230	2.476	0	1	GEAF	
Cc1cncc(-c2cn3c(-c4cccc(N5CCCNCC5)n4)ncc3cn2)n1	1772617839	NIRPQZMBABINPZ-UHFFFAOYSA-N	386.463	2.356	0	1	GEAF	
CC(=O)N1CCC[C@H](OCc2cncc(-c3cnc4c(c3)CCN4C(N)=O)c2)C1	1772634176	SPKYGHOUVSPBOJ-IBGZPJMESA-N	395.463	2.112	0	1	GEAF	
Cc1cnc(Oc2ccc3nc(C(=O)N[C@H]4CCS(=O)(=O)C4)ccc3c2)nc1	1772571670	RAYWHAIIBGWIMY-AWEZNQCLSA-N	398.444	2.042	0	1	GEAF	
CN(C)CCc1cc2c(cc1CC(=O)c1ccc3c(c1C(=O)O)OCO3)OCO2	13308302	ZWRGIDKDYJXLHP-UHFFFAOYSA-N	399.399	2.372	0	1	GEAF	endogenous,in-man
O=C1Nc2ccccc2[C@]12CCN(CCN1CCN(c3ccccc3)CC1)C2	1857645897	XMJQXVBVBFLUHR-HSZRJFAPSA-N	376.504	2.404	0	1	GEAF	
COc1cc([C@H]2c3cc4c(cc3C(=O)[C@H]3CCC(=O)N23)OCO4)cc(OC)c1O	1654643	DHAJSWSGIAPSOV-YJYMSZOUSA-N	397.383	2.415	0	1	GEAF	
COc1cc(OC)nc(O[C@H](C(=O)O)C(O)(c2ccccc2)c2ccccc2)n1	13756055	XTPVBLFDYBIPGU-GOSISDBHSA-N	396.399	2.262	0	1	GEAF	
c1ccc(CN2CCc3nc(N4CCN(c5ccccn5)CC4)ncc3C2)nc1	15779655	DEVFTXIJSUAOFW-UHFFFAOYSA-N	387.491	2.152	0	1	GEAF	
OCCN1CCN(c2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)CC1	28713183	HRMKLBZLJUBGSL-UHFFFAOYSA-N	391.479	2.473	0	1	GEAF	
COc1ccc(C2=NN(C(=O)CO[N+](=O)[O-])[C@H](c3ccco3)C2)cc1OC	42990128	UQCLEAMRWSSSBZ-ZDUSSCGKSA-N	375.337	2.183	0	1	GEAF	
COc1ccc(Cc2nc3c(C4=CCN(S(C)(=O)=O)CC4)cccn3n2)cc1	96169560	YBXIOZZQAKEZHW-UHFFFAOYSA-N	398.488	2.377	0	1	GEAF	
O=C(c1ccccc1-n1nccn1)N1C[C@H]2CN(c3ccc(F)cn3)C[C@@H]2C1	116823639	UFFDSQBFCLOOFA-HUUCEWRRSA-N	378.411	2.010	0	1	GEAF	
CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2ccc(-n3cnnn3)cc2[nH]1	587194926	ZWJJESBANPBYDR-AWEZNQCLSA-N	386.460	2.056	0	1	GEAF	
O=C(OCc1ccccc1)N1CC[C@]2(Cc3cc4c(O)nc(O)nc4nc32)C1	587557456	IIFIHJVFGNAEOT-FQEVSTJZSA-N	378.388	2.272	0	1	GEAF	
C[C@@](O)(c1cncnc1Nc1ccc(F)cc1)C1CCN(S(C)(=O)=O)CC1	1772627474	QYPYIXDNCYSWRV-SFHVURJKSA-N	394.472	2.238	0	1	GEAF	
CC(C)(C)CC(=O)N[C@@H]1[C@@H](c2cccs2)N(S(C)(=O)=O)CC[C@@]1(C)O	2356304589	SUQNHRMNMJQLNP-BFYDXBDKSA-N	388.555	2.127	0	1	GEAF	
CCOc1ccc2nc(NC(=O)CN3C(=O)[C@H]4[C@@H]5C=C[C@@H](C5)[C@@H]4C3=O)sc2c1	4564532	MRTXFVBXBICCEX-YNHQPCIGSA-N	397.456	2.441	0	1	GEAF	
O=C(NCCc1ccccc1)[C@H]1CCCN(S(=O)(=O)N2CCCCCC2)C1	6921574	LUCNISGKTGWEHH-IBGZPJMESA-N	393.553	2.178	0	1	GEAF	
Cc1c(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2C=C[C@H]3[C@@H]3C[C@H]23)c(=O)n(-c2ccccc2)n1C	12577825	QKMUGOSVGDEHFO-COYYTBTLSA-N	375.428	2.042	0	1	GEAF	
COc1cc([C@H](O)[C@@H]2COC[C@@H]2[C@@H](O)c2ccc(O)c(OC)c2)ccc1O	14435763	YHYNYYXJMLXPRQ-ILWKUFEGSA-N	376.405	2.145	0	1	GEAF	biogenic
COc1ccc(CC(=O)N2CCC3(CC2)N=C(c2ccccc2)C(=O)N3)cc1	20556365	JTNXNYGBZHONMP-UHFFFAOYSA-N	377.444	2.176	0	1	GEAF	
O=C1c2ccccc2S(=O)(=O)N1CSc1nnnn1C1CCCCC1	29480726	BCDWLRNOFVZHNG-UHFFFAOYSA-N	379.467	2.073	0	1	GEAF	
Cn1cc(-c2cnn3c(N)c(Br)c([C@@H]4CCCCN4)nc23)cn1	66100800	RZDXMYMNGFKQLS-NSHDSACASA-N	376.262	2.289	0	1	GEAF	
CS(=O)(=O)NC1CCN([C@H](c2ccc(Cl)cc2)c2cncnc2)CC1	72103317	WOMIMWDMMAJNPN-QGZVFWFLSA-N	380.901	2.233	0	1	GEAF	
CC(C)CCC(=O)OC[C@H]1OC(=O)N[C@@H]1CN1CCN(c2ccccc2)CC1	72107253	YICTYILJPNAIOD-RTBURBONSA-N	389.496	2.265	0	1	GEAF	
Cn1cnc(C(=O)N(Cc2cccc(OC(F)(F)F)c2)C[C@@H]2[C@H]3CNC[C@H]32)c1	101270901	LAXUUXLIBVHUAY-ZSHCYNCHSA-N	394.397	2.427	0	1	GEAF	
OC[C@@H]1C[C@@H](Nc2ncnc3[nH]c(-c4cccc5c4CCCC5)nc23)C[C@@H]1O	114583954	DMAKVCMEOOHYAB-VBQJREDUSA-N	379.464	2.442	0	1	GEAF	
COc1ccc(S(=O)(=O)n2cc3c4c(cccc42)N2CCNC[C@H]2C3)cc1	118363054	JWWWFBOCQFFGBA-OAHLLOKOSA-N	383.473	2.221	0	1	GEAF	
COC[C@H](C)N1C(=O)[C@@]2(N=C1N)c1cc(C#N)ccc1CC21CCC(OC)CC1	142164460	BKPWTKXOOYWXJD-NNEMAACLSA-N	396.491	2.077	0	1	GEAF	
O=C(/C=C/c1ccccc1)N1CCN(c2nn3nnnc3c3ccccc23)CC1	169306831	OEFLDIMSUVIAGJ-ZHACJKMWSA-N	385.431	2.035	0	1	GEAF	
C[C@H]1CN(CCn2cnnn2)CC[C@H]1N(C(=O)c1ccco1)c1ccccc1	299805017	FRHGRTAWAXPTEX-FUHWJXTLSA-N	380.452	2.324	0	1	GEAF	
CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2c(O)nc(O)nc2[nH]1	587111347	ATELWXXVGUHHKK-HNNXBMFYSA-N	381.314	2.183	0	1	GEAF	
COc1ccc(CN[C@@H]2C[C@H](O)[C@H](CO)[C@H]2Cc2ccnc(C(C)C)n2)cc1	2356288824	LJTIMLQZYYXGBR-NCYKPQTJSA-N	385.508	2.299	0	1	GEAF	
O=C(Nc1ccc(F)cc1)N[C@@H]1[C@H]2CO[C@@H](O2)[C@H](n2cnc3ccccc32)[C@H]1O	2356297195	PTLBYZBTQGUEIF-QQXKLLMISA-N	398.394	2.023	0	1	GEAF	
CC=C1CN2CC[C@H]1[C@]1(C(=O)OC)C(=O)[C@]3(C[C@@H]21)c1ccccc1N[C@H]3OC	2356412852	DNSZEXZABZEHOW-HEXLTJKYSA-N	382.460	2.105	0	1	GEAF	
Cc1ccc(-c2nc(C(=O)N[C@H](Cc3ccccc3)C(=O)OCCN)co2)cc1	82069077	MDOAAWMXASFTQK-GOSISDBHSA-N	393.443	2.493	0	1	GEAF	
CC(C)(C)NC(=O)c1c[nH]c2ncc(Nc3cncc(S(C)(=O)=O)c3)nc12	145020424	FLNUTOVGNFXLNP-UHFFFAOYSA-N	388.453	2.028	0	1	GEAF	
O=C(Nc1ccc(C(=O)N2C[C@H]3COC[C@@H]3C2)cc1)N1Cc2ccncc2C1	166971429	NESWCBMPGCSXQO-ROUUACIJSA-N	378.432	2.348	0	1	GEAF	
Cc1cc(-n2c(O)c3c(c2O)[C@@H]2C=C[C@@H]3[C@H](O)[C@@H]2O)ccc1Br	169718542	VSFGIDVAKBHPOE-FCIDVOKBSA-N	378.222	2.432	0	1	GEAF	
C[C@@H]1C[C@](C)(O)[C@@H]2[C@@]3(C)CCC[C@@]2(COC3=O)[C@@]12CC[C@]1(CCOC1=O)O2	263608183	SXRSWIKTOZHQDT-LMYAMUAESA-N	378.465	2.362	0	1	GEAF	
COC(=O)c1cc2[nH]c([C@H](C)Sc3nc(N)cc(O)n3)nc2cc1OC	586961351	HPQKVVPTQZYIFO-ZETCQYMHSA-N	375.410	2.289	0	1	GEAF	
NS(=O)(=O)c1ccc(F)c(-c2nc3c(F)cnc(Br)c3[nH]2)c1	587142161	LOLYAAYBPDNTKQ-UHFFFAOYSA-N	389.181	2.313	0	1	GEAF	
C[C@H](O)[C@@H](CCc1cccc(C(=O)N2CCCC2)c1)n1cnc2c(N)ncnc21	1857762048	ZNDHUKHURFHEER-WMLDXEAASA-N	394.479	2.199	0	1	GEAF	
CCCCC[C@H](O)C=C[C@@H]1C(=O)C[C@@H](O)[C@@H]1CC=CCCCC(=O)NCCO	2356647980	KEYDJKSQFDUAGF-ZGXWSNOMSA-N	395.540	2.275	0	1	GEAF	
CC(=O)N1CCC(N2C[C@H](F)[C@H](OCc3nc4ccc(F)cc4[nH]3)C2)CC1	2356658423	RPRBNJVBGISHED-MAUKXSAKSA-N	378.423	2.252	0	1	GEAF	
COc1cc(NS(=O)(=O)c2ccc3[nH]c(=O)sc3c2)cc(OC)c1OC	4732666	LGMZQXSKYMATBY-UHFFFAOYSA-N	396.446	2.416	0	1	GEAF	
O=C1C(Cl)=CC2(Oc3cccc4cccc(c34)O2)[C@]23O[C@]12[C@H](O)CCC3=O	14636379	KDRDVNRYLTWNLC-XMCHAPAWSA-N	384.771	2.244	0	1	GEAF	biogenic
O=C(CCO)N1[C@@H]2Cc3cc4c(cc3[C@H]1Cc1cc3c(cc12)OCO3)OCO4	27852348	LRJWEFDICSRKNV-HZPDHXFCSA-N	381.384	2.250	0	1	GEAF	
N[C@H](CC(=O)N1CCC[C@H]1C(=O)NCc1ccccc1)Cc1ccccc1F	28390961	CGKHIDJCCSTBNU-ICSRJNTNSA-N	383.467	2.393	0	1	GEAF	
COc1ccc(S(=O)(=O)n2nc(OC(=O)c3sccc3C)cc2N)cc1	45256162	LTPPALFFIWRDLV-UHFFFAOYSA-N	393.446	2.300	0	1	GEAF	
O=C(CC1CC1)N1[C@@H](CO)[C@H](c2ccccc2)C12CN(Cc1ccncc1)C2	95871809	YVEBEDMWTFTNIH-UNMCSNQZSA-N	377.488	2.423	0	1	GEAF	
CCCN1[C@@H]2c3ccc(-c4ccccc4)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)OC	95880268	HGSXJQPFLOFJHV-IJXRJRJASA-N	382.460	2.062	0	1	GEAF	
COc1cc2c(cc1OC)[S@@](C)(=O)=NC(N1CCC(OC(C)=O)CC1)=N2	101805664	ITLGUTQUBIOWPD-AREMUKBSSA-N	381.454	2.189	0	1	GEAF	
COc1cc(/C=c2\sc3nc(-c4ccncc4)cn3c2=O)cc(OC)c1O	144851061	UMMCMVOJRYIPSD-SXGWCWSVSA-N	381.413	2.089	0	1	GEAF	
CC(C)C[C@H](NC(=O)c1ccc(C2CC2)c(OC[C@@H]2CCCO2)n1)C(N)=O	150109998	MAEFXTYFMVZJBB-YOEHRIQHSA-N	375.469	2.147	0	1	GEAF	
COc1ccc(C=c2nc(O)c(=Cc3c[nH]c4ccccc34)nc2O)cc1OC	299809839	QRNGDVVTRCNUDO-UHFFFAOYSA-N	389.411	2.044	0	1	GEAF	
COc1cc(Br)c([C@@H](N)c2nc3ccnc(N)c3[nH]2)cc1OC	586975229	KAHKPJUCWKHWCD-GFCCVEGCSA-N	378.230	2.368	0	1	GEAF	
COc1cc2c(cc1OC)[C@]13CN4CC5=CCCO[C@@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@H]43	2356724879	BXGUWCVZAVIITQ-HOFBXOBWSA-N	394.471	2.110	0	1	GEAF	
CCOC(=O)C1=C(N)Oc2[nH]c(=S)[nH]c(=O)c2[C@H]1c1ccc(Cl)cc1	7342750	ISLQWWGRJLDPGI-VIFPVBQESA-N	379.825	2.344	0	1	GEAF	
N=C(N)c1ccc(C2=NO[C@@H](CC(=O)N3CCCCC[C@@H]3CC(=O)O)C2)cc1	27519058	BJLCXFCSMAAMCW-HZPDHXFCSA-N	386.452	2.100	0	1	GEAF	
CN1CCc2cc3c(cc2[C@H]1[C@H](O)c1ccc2c(c1C(=O)O)OCO2)OCO3	85850224	WUOGMWBLNQGZRV-ZWKOTPCHSA-N	385.372	2.105	0	1	GEAF	
OC[C@H]1CCCN1c1nccnc1OC1CN(c2ccc3ccccc3n2)C1	96168714	VCCBJSXRWAWZDQ-MRXNPFEDSA-N	377.448	2.254	0	1	GEAF	
COCCCN1C(=O)C(=O)[C@H](C(=O)c2ccccc2)[C@@H]1c1ccc2c(c1)OCO2	169687219	JGZAMESHNCVTQP-OALUTQOASA-N	395.411	2.403	0	1	GEAF	
Brc1ccc2c(NC3=NC[C@@]4(CN5CCC4CC5)O3)nccn12	1772643616	NIWYOWSZICGRPD-INIZCTEOSA-N	376.258	2.359	0	1	GEAF	
COc1ccccc1-n1cc(Cn2cnc3c(cnn3-c3ccccc3)c2=O)nn1	1857771225	HXEQHBHCJKZZDW-UHFFFAOYSA-N	399.414	2.220	0	1	GEAF	
CCCSc1nc(N2CCN(C)CC2)c2ncc(=O)n(CC(C)C)c2n1	1857772803	ZOWAXRHIILYRKA-UHFFFAOYSA-N	376.530	2.096	0	1	GEAF	
C[C@@H]1CN(c2cccc3ccccc23)CCN1CN1CC(=O)N2CCC[C@H]2C1=O	13642285	RHPMSRVAUFLOEW-UTKZUKDTSA-N	392.503	2.141	0	1	GEAF	
O=C(O)CNC(=O)[C@H](Cc1ccccc1)C[C@@H](COc1ccccc1)C(=O)O	27759595	CPYPLUDLRCSHAZ-SJORKVTESA-N	385.416	2.216	0	1	GEAF	
O=C(O)CC[C@H](NC(=O)c1cccc(/C=C2\SC(=S)N=C2O)c1)C(=O)O	72179254	SCUUCAIGDKOBHG-QBQSQJOESA-N	394.430	2.064	0	1	GEAF	
O=C(N[C@H]1CC[C@H](CCn2cc(C3CCCC3)nn2)O[C@H]1CO)c1cccnc1	95662250	JAHQNXWPFXREPC-HBFSDRIKSA-N	399.495	2.059	0	1	GEAF	
CCO[C@]12C[C@H]3C4=CCO[C@H]5CC(=O)N6c7ccccc7[C@@]1(CCN2C4)[C@@H]6[C@H]53	95876292	BWCUFELTNOPYLM-OPBIGXDRSA-N	378.472	2.457	0	1	GEAF	
CCCc1nccn1[C@@H](CC(=O)OCC)[C@H]1O[C@H]2OC(C)(C)O[C@H]2[C@@H]1OC	96903064	YMWINJDXMNADPA-ROJAXVNGSA-N	382.457	2.221	0	1	GEAF	
CC(C)(C)OC(=O)N[C@@H](CCCOCN)C(=O)Oc1ccc([N+](=O)[O-])cc1	97972640	LWVHGLZSKFXEJD-AWEZNQCLSA-N	383.401	2.107	0	1	GEAF	
Cc1ccc([C@H]2C[C@@H]2COc2cc(NCc3ccnn3C)c(=O)n(C)n2)nc1	218404466	FIUBHJJVLFGBOV-ZBFHGGJFSA-N	380.452	2.012	0	1	GEAF	
COc1ccc(C2=C(c3cc(OC)c(OC)c(OC)c3)C(=O)N(C)C2=O)cc1O	299821042	JFQGKTOQGXTVLD-UHFFFAOYSA-N	399.399	2.336	0	1	GEAF	
NC(=O)c1cc(I)ccc1NC(=O)COc1ccccc1	473115444	SSMKHHLWFKIXNJ-UHFFFAOYSA-N	396.184	2.408	0	1	GEAF	
Nc1nc(O)c2nc(-c3ccccc3CS(=O)(=O)c3ccccc3)[nH]c2n1	586921514	JQJHTYOZRVTHBO-UHFFFAOYSA-N	381.417	2.282	0	1	GEAF	
CC(C)C1=C(CNC(=O)C[C@@H]2C(=O)N[C@@H](c3ccccn3)N[C@H]2C)CCCO1	618014344	UXDSPIAJNVVUIW-UVFQYZLESA-N	386.496	2.031	0	1	GEAF	
COc1ccc2c(c1)NC(=O)[C@@]21CCN2C[C@@H]3[C@H](C)OC=C(OC(C)=O)[C@H]3C[C@@H]21	2356367622	GFBRPLWLNZPYAL-UQMYROGWSA-N	398.459	2.419	0	1	GEAF	
OC[C@H]1[C@H](Cc2ccnc(-c3ccccc3)n2)[C@H](NCC2CCOCC2)C[C@H]1O	2356388317	ZZUUBSQRRVNHPW-FNAHDJPLSA-N	397.519	2.060	0	1	GEAF	
Cc1ccc(C)c(N2CCN([C@@H]3C(=O)Nc4ccccc4-n4nnnc43)CC2)c1	95570977	ACRCQSAOMOGZDE-IBGZPJMESA-N	389.463	2.095	0	3	GEAF	
COc1ccc2c(c1)c(C[C@H]1C(=O)Nc3ccc(S(N)(=O)=O)cc31)cn2C	13538998	YUFXVKVATYTTCX-MRXNPFEDSA-N	385.445	2.113	0	1	GEAF	
CC(C)Cn1cc([C@]2(c3cccc(-c4cncnc4)c3)N=C(N)N(C)C2=O)cn1	34803422	GJCACXYIYRCVKX-NRFANRHFSA-N	389.463	2.026	0	1	GEAF	
CCOC(=O)c1c(SC)nn2c(=O)n(-c3cccc(C(F)(F)F)c3)nnc12	35245081	FVECDNYPLRKUJD-UHFFFAOYSA-N	399.354	2.193	0	1	GEAF	
N[C@@H](C[C@@H](CCC(=O)NCC(c1ccccc1)c1ccccc1)C(=O)O)C(=O)O	40935083	SMSXKPZTNBOCFF-MJGOQNOKSA-N	398.459	2.218	0	1	GEAF	
COC[C@H](Cc1ccccc1)Nc1nc(N2CCC[C@@H](C(N)=O)C2)ncc1C	82204350	MBXBBJZQENZTCT-MSOLQXFVSA-N	383.496	2.156	0	1	GEAF	
NC(=O)[C@H]1CCN(C(=O)c2ccc3c(c2)[C@](O)(C(F)(F)F)c2ccccc2-3)C1	144756254	JDQOSRZTNBJXFU-BUXKBTBVSA-N	390.361	2.413	0	1	GEAF	
CC1(N(C[C@H](O)Cn2c3ccccc3c3ccccc32)S(C)(=O)=O)COC1	148592830	VEZDMIMSGPNWTR-OAHLLOKOSA-N	388.489	2.206	0	1	GEAF	
CN/C(=C\[N+](=O)[O-])NCCSCc1ccc(CN[C@@H]2C3C[C@@H]4C2[C@H]4C3)o1	169306406	NIEBFIZWKXFMDD-MXHUKJIKSA-N	378.498	2.141	0	1	GEAF	in-man
CCN1CCN(c2cc(-c3n[nH]c4ccc(OC(C)C)cc34)ncn2)CC1=O	221236699	PCEAKKDLWWUINV-UHFFFAOYSA-N	380.452	2.476	0	1	GEAF	
NS(=O)(=O)c1ccc(F)c(-c2nc3cc(-n4cccn4)c(F)cc3[nH]2)c1	587141988	HONISGKHLGPUOJ-UHFFFAOYSA-N	375.360	2.341	0	1	GEAF	
COC(=O)c1ccnc2[nH]c([C@H](CC(=O)O)NC(=O)OCc3ccccc3)nc12	587203144	ONSPFBKALYRUJH-ZDUSSCGKSA-N	398.375	2.187	0	1	GEAF	
CO[C@H]1CCN(c2cc(-c3cnc(N)c(OC(F)F)c3)nc(N3CCC3)n2)C1	653670144	JBNCCCIRNWKMII-LBPRGKRZSA-N	392.410	2.157	0	1	GEAF	
COc1cc2c(cc1OC)[C@](O)(c1ccc3c(c1)OCO3)[C@H](C)[C@](C)(O)C2=O	2356467847	HFVJPDBHLXAZNH-FAORDRHVSA-N	386.400	2.252	0	1	GEAF	
COCC(=O)N[C@@H]1[C@@H](c2ccccc2)N(Cc2ccncc2F)CC[C@]1(C)O	2356549366	ZQAFXBOBRXAYSZ-NJYVYQBISA-N	387.455	2.050	0	1	GEAF	
COc1c2c(cc3c1[C@@H]1[C@H](c4ccc5c(c4CN1C)OCO5)[C@@H](O)C3)OCO2	2356615535	FYMTWGUKLAVFLL-MORSLUCNSA-N	383.400	2.340	0	1	GEAF	
O=S(=O)(NC[C@H]1C[C@H]2CCN1C[C@H]2CN1CCCC1)c1ccc(Cl)cc1	2356377620	GOEFWMJPMAJBFU-JFIYKMOQSA-N	397.972	2.425	0	1	GEAF	
COC(=O)C1=C[C@H]2C3=C(NCCCCN)c4ccccc4N(C)C3=N[C@H]2C=C1	103164713	JPHFRVUXYGIDJY-SJORKVTESA-N	378.476	2.242	0	1	GEAF	
COCC(=O)N[C@@H]1[C@H](c2ccccc2)N(Cc2ccncc2F)CC[C@]1(C)O	2356549364	ZQAFXBOBRXAYSZ-HBMCJLEFSA-N	387.455	2.050	0	1	GEAF	
Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4cccc5c4OCCCO5)C[C@H]3C2)n1	116826300	AEZSHLMXEAFMHO-CALCHBBNSA-N	394.475	2.463	0	1	GEAF	
COc1ccc(NC(=O)O[C@@H]2CO[C@@H]3[C@H](NC(=O)c4ccccc4)CO[C@@H]23)cc1	2356835443	KRXJMBITQJYWNP-MKXGPGLRSA-N	398.415	2.209	0	1	GEAF	
COc1ccc2c(c1)C(=O)N1CCC[C@@H]1c1nc3c(O)cc(OC)cc3c(=O)n1-2	13397530	SKCHUVDMAXVDEA-MRXNPFEDSA-N	393.399	2.399	0	1	GEAF	biogenic
COc1ccccc1CN1Cc2cc(OC)c(OS(N)(=O)=O)cc2C[C@@H]1C	84726543	FPCJLRWQQOFPIG-ZDUSSCGKSA-N	392.477	2.233	0	1	GEAF	
FC(F)(F)c1nc(NC[C@@H]2CCCO2)c2nnn(C[C@@H]3CCCCO3)c2n1	84709722	DLBMSEXWUVTVDA-QWRGUYRKSA-N	386.378	2.400	0	1	GEAF	
Nc1ncc(-c2ccc(CN3CCOCC3)s2)cc1C(=O)Nc1ccncn1	149999464	BSTMMSHLHCVWOV-UHFFFAOYSA-N	396.476	2.267	0	1	GEAF	
O=C(Nc1cccc(Cl)c1)N[C@H]1CC[C@H](CCNC(=O)C2CC2)O[C@@H]1CO	95904266	JUGQZOVOVDNIIT-IXDOHACOSA-N	395.887	2.286	0	1	GEAF	
O=c1cc(N2CCc3c(-c4cccc(O)c4)nc(N4CCOCC4)nc32)cc[nH]1	95595610	MPGSAKLNSHVDOJ-UHFFFAOYSA-N	391.431	2.068	0	1	GEAF	
O=c1cc(OC[C@@H](O)CN2CCN(c3ccc(F)cc3)CC2)c2ccccc2o1	299837285	PUBFVCPTKNRBGA-SFHVURJKSA-N	398.434	2.494	0	1	GEAF	
CNCC(=O)Nc1nc2cc(-c3cncc(F)c3)cc(-c3ncccn3)c2[nH]1	299835615	MCBWOXDBSINUNV-UHFFFAOYSA-N	377.383	2.379	0	1	GEAF	
CN1CCC(N(C)C(=O)c2cnn(-c3ccccc3Br)c2N)CC1	299850610	CCZHUVZNYOAZBX-UHFFFAOYSA-N	392.301	2.383	0	1	GEAF	
COc1ccc(CN2CN(CC(=O)O)c3ccc(Cl)cc3S2(=O)=O)cc1	653850986	MRIYFMSBQCREAP-UHFFFAOYSA-N	396.852	2.402	0	1	GEAF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H]3CN[C@H](C(=O)O)[C@H]3C2)N1	587795303	OFMDKCFZQMYUCZ-SCAXLIDVSA-N	383.261	2.400	0	1	GEAF	
N[S@](=O)c1ccc(-c2ccc3ncc(-c4ccc([S@](N)=O)cc4)n3n2)cc1	169306697	GPSFPNVATVOSQW-KAYWLYCHSA-N	397.485	2.026	0	1	GEAF	
COc1cccc(C(=O)N2CCN(c3nn4cnnc4c4ccccc34)CC2)c1	169312441	WPCFHRWUFPFRTA-UHFFFAOYSA-N	388.431	2.249	0	1	GEAF	
Cc1ncc([C@H](CNC(=O)c2cccc(F)c2Cl)N2CCOCC2)cn1	207632451	YEVDEPIHDNCOOH-INIZCTEOSA-N	378.835	2.381	0	1	GEAF	
Oc1ccc(Cc2cn([C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)c3cccc(Cl)c23)cc1	66099750	GDOCXHVTFBTYJC-GSEOLPGOSA-N	389.835	2.203	0	1	GEAF	
COc1ccc(C(=O)NCC2(N3CCN(C)CC3)Cc3ccccc3C2)cc1	72180153	CWDHNRALFIFGHZ-UHFFFAOYSA-N	379.504	2.210	0	1	GEAF	
COc1cccc(OC)c1-c1cnnc(NCc2nc(C)c(CCO)s2)n1	95583267	NGURRWWLDPNHBP-UHFFFAOYSA-N	387.465	2.468	0	1	GEAF	
CC(C)(C(=O)NC1[C@H]2CC3C[C@H]1CC(S(N)(=O)=O)(C3)C2)c1ccccc1	101102604	NNKZNDAYDMLMIA-AXXLOQQUSA-N	376.522	2.316	0	1	GEAF	
O=C(NCCN1CCOCC1)c1csc(-c2cnc(-c3ccccc3)nc2)n1	145759981	SYZZMFFVGXLICO-UHFFFAOYSA-N	395.488	2.329	0	1	GEAF	
O=C(NN1C(=O)[C@@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C1=O)c1cccc(Br)c1	169347243	IYWDNVOMIGEONH-PLJUSGQGSA-N	387.233	2.147	0	1	GEAF	
Nc1cnc(-c2ccc(-c3cccnc3S(=O)(=O)[C@@H]3CCNC3)cc2F)cn1	224800929	KYQLDZSZMJMBND-CYBMUJFWSA-N	399.451	2.063	0	1	GEAF	
NS(=O)(=O)c1ccc2nc(C(F)(Br)Br)[nH]c2c1	587086478	AJQBUSUJTPYHIJ-UHFFFAOYSA-N	387.028	2.080	0	1	GEAF	
CC(=O)c1ccc2c(c1)[C@@H](c1nc[nH]n1)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2	962622621	CSOPGANPYNAWLZ-GJZGRUSLSA-N	386.408	2.343	0	1	GEAF	
C[C@@]1(c2ccc(O)c(CCO)c2)N[C@@H](C(=O)O)Cc2c1cnc1ccccc21	963220751	ILOFWISFHYSNND-KNQAVFIVSA-N	378.428	2.338	0	1	GEAF	
CCN(CC)C(=O)[C@H]1CCC[C@H](NC(=O)Nc2cccnc2)CN(C)C(=O)C1	2356298855	GLJLDGZEXDEBPO-RDJZCZTQSA-N	389.500	2.089	0	1	GEAF	
CN(Cc1ccccc1)[C@@H]1[C@H](CNCc2cccc(Cl)c2)O[C@@H](CO)[C@@H]1O	2356300359	UODNZUGCUYOBIQ-BURNTYAHSA-N	390.911	2.051	0	1	GEAF	
CC(C=CC(=O)N[C@@](C)(CO)C(=O)O)=C[C@H](C)C(=O)c1ccc(N(C)C)cc1	2356596915	VTYVYDJWZOWXEE-BTYIYWSLSA-N	388.464	2.026	0	1	GEAF	
COc1ccc2c(c1)N(C(C)=O)[C@@H]1[C@@H]3[C@@H](OC)OC=C4CN5CC[C@@]21[C@H]5C[C@H]43	2356680486	KISKJMKSADKAMN-KFDJNWRWSA-N	382.460	2.279	0	1	GEAF	
CCCCNC(=O)c1sc2ncn(CC(=O)N(CC)CC)c(=O)c2c1C	2477364	UADBKECGWURCST-UHFFFAOYSA-N	378.498	2.165	0	1	GEAF	
O=S(=O)(c1ccccn1)n1ccc2c(N3CCNCC3)c(Cl)ccc21	3975512	YKJAYWYRGOVBDE-UHFFFAOYSA-N	376.869	2.336	0	1	GEAF	
C[C@H]1CCC[C@H](NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)[C@@H]1C	4660720	JRFRRXUXLPBMLG-IYOUNJFTSA-N	398.500	2.401	0	1	GEAF	
COc1cc([C@H]2c3c(cc(OC)c(O)c3OC)C[C@H](CO)[C@H]2CO)ccc1O	15270960	ZPRAJLPWRSLALC-HBUWYVDXSA-N	390.432	2.029	0	1	GEAF	biogenic,in-vitro
O=C(Nc1ccccc1)NC1CCN(C[C@H](O)[C@@H]2COc3ccccc3O2)CC1	27995162	YPADFKNTEDLJBH-RXVVDRJESA-N	397.475	2.473	0	1	GEAF	
COCCN(C[C@H]1N[C@H](CO)[C@@H]1c1ccc(-c2cccc(F)c2)cc1)C(C)=O	95895145	CTAZZCWMPWUAQF-YPAWHYETSA-N	386.467	2.404	0	1	GEAF	
Cc1ccc(S(=O)(=O)NC(=O)C2C(=O)CC3(CCCCC3)CC2=O)cc1	102916948	IAIUMVPEFJQUIS-UHFFFAOYSA-N	377.462	2.299	0	1	GEAF	
O=C(c1ccccc1-n1nccn1)N1C[C@@H]2CN(c3ccc(F)cn3)C[C@H]2C1	116823637	UFFDSQBFCLOOFA-GJZGRUSLSA-N	378.411	2.010	0	1	GEAF	
COC(=O)C1=CO[C@@H](C)[C@@H]2CN3CC[C@]4(Nc5ccc(OC)cc5C4=O)[C@@H]3C[C@H]12	238765429	UEJBWBBFJICPSE-CDFANNJQSA-N	398.459	2.228	0	1	GEAF	
COc1cc(O)c(-c2cc(=O)c3c(O)c(OC)c(O)c(OC)c3o2)cc1O	238773334	OYWQHIBOJZVBSB-UHFFFAOYSA-N	376.317	2.308	0	1	GEAF	
O=c1cc(OC[C@H](O)CN2CCN(c3ccccc3F)CC2)c2ccccc2o1	299833820	IULKBIKCJMRMDW-MRXNPFEDSA-N	398.434	2.494	0	1	GEAF	
C[C@@]1(CN2C(=O)COCC2=O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	587340368	HKIILSXXGRUXQG-CTNGQTDRSA-N	399.374	2.034	0	1	GEAF	
Cn1cc([C@@]2(CN3CCOCC3)CC(=O)c3ccc4c(c3O2)CCCC4)cn1	587517789	VBRAPKOJWXZWIT-QFIPXVFZSA-N	381.476	2.492	0	1	GEAF	
Cc1c(O)ccc2c1[C@](C)(CCN1C(=O)c3ccccc3C1=O)N[C@H](C(=O)O)C2	963548541	GWDSMXKUPVPJAF-AOMKIAJQSA-N	394.427	2.201	0	1	GEAF	
Cn1cc(-c2cc3c(-c4cccc(N5CCC[C@H](N)C5)n4)nn(C)c3cn2)cn1	1772627623	CSNKQXLBFBGYCU-HNNXBMFYSA-N	388.479	2.358	0	1	GEAF	
COc1cc([C@@H]2Oc3c(OC)cc4c(c3O[C@@H]2CO)OC(=O)CC4)ccc1O	2356638043	PVFWJJXEIREHOT-WBVHZDCISA-N	388.372	2.134	0	1	GEAF	
O=C(Nc1nccs1)[C@@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(-c2ccccn2)nn1	2356845438	OEXGSUOKGORFCP-RRFJBIMHSA-N	395.492	2.146	0	1	GEAF	
COc1cc(-c2cc(=O)c3c(O)cc(OS(=O)(=O)O)cc3o2)ccc1O	14813866	YIYDRDIIVCKVSU-UHFFFAOYSA-N	380.330	2.061	0	1	GEAF	biogenic
COc1ccc(CC2=NO[C@H](CNC(=O)[C@H]3COc4ccccc4O3)C2)cc1	14882112	UNMRSSZPCCCUPE-FXAWDEMLSA-N	382.416	2.339	0	1	GEAF	
Cn1c(N2CCO[C@@H](c3ccc(O)cc3)C2)nc(-c2ccncc2F)cc1=O	34600880	KEGOHXJCHVZRQF-GOSISDBHSA-N	382.395	2.265	0	1	GEAF	
CC[C@@]1(C(=O)OC)N[C@H](c2ccco2)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21	36383911	DTNZJRSIQGJGHG-BIZBXSGISA-N	382.416	2.360	0	1	GEAF	
COC(=O)[C@H](Cc1ccc(O)cc1)N1C(=O)[C@@H]2Cc3ccccc3CN2C1(C)C	66258331	SSGSSNSBQRSPTK-PMACEKPBSA-N	394.471	2.482	0	1	GEAF	
COc1ccc(-c2cc(NC(=O)CCCN3CCCN(C(C)=O)CC3)[nH]n2)cc1	95580222	PVOBJLKCTFQMOG-UHFFFAOYSA-N	399.495	2.358	0	1	GEAF	
O=C(NCC[C@@H]1CC[C@H](NC(=O)C2CC2)[C@H](CO)O1)Nc1ccc(Cl)cc1	95904450	GLBDSUNETLJFTE-ULQDDVLXSA-N	395.887	2.286	0	1	GEAF	
C/C=C1/CN2CC[C@@]34c5cc(O)ccc5N(C)[C@@]23CC[C@H]1[C@@]4(CO)C(=O)OC	101269307	SJFXTBHAODZALL-PEZZAXBTSA-N	384.476	2.003	0	1	GEAF	in-vivo
C[C@@]1(c2cc(NC(=O)c3ccc(C#N)cn3)ccc2F)Cn2cncc2C(N)=N1	220267140	OBLWDHIBZWAGSY-FQEVSTJZSA-N	389.394	2.175	0	1	GEAF	
Cc1nc2ccccn2c1[C@@]1(CN2CCOCC2)NCCc2ccc(O)cc21	963343813	WYAYLXVKLVPNTH-QFIPXVFZSA-N	378.476	2.070	0	1	GEAF	
Cc1c(O)ccc2c1[C@@]1(N[C@H](C(=O)O)C2)C(C(=O)O)=CN(C)c2ccc(F)cc21	963550043	JTXVDQCMKLEQCA-BTYIYWSLSA-N	398.390	2.101	0	1	GEAF	
O=S(=O)(NC[C@@]1(O)CCOc2ccccc21)c1cccc(Br)c1	1257884504	ZQHKPXVSXJVNCE-INIZCTEOSA-N	398.278	2.398	0	1	GEAF	
COc1ccc(CN2C(=O)[C@H]3C[C@@H](CN3C3COC3)Oc3ccccc32)cc1	2356299066	UXPCVISFJNCEAW-AZUAARDMSA-N	380.444	2.463	0	1	GEAF	
COc1cc(C[C@H](O)[C@@H]2C[C@@H](O)C[C@@H](c3ccc(O)c(OC)c3)O2)ccc1O	2356549939	MWUQQAZSIPSFMW-YRFFXBIPSA-N	390.432	2.300	0	1	GEAF	
O=C(Nc1ccccc1)O[C@@H]1CO[C@@H]2[C@@H]1OC[C@H]2n1nnnc1-c1ccccc1	2356862278	UYQGLCKCMQQNQH-ZJPYXAASSA-N	393.403	2.296	0	1	GEAF	
O=CN(O)C[C@@H](CC1CCCC1)C(=O)N1CCCN1C(=O)Cc1ccccc1	72175366	CGRUXJDOFXOKGO-LJQANCHMSA-N	387.480	2.249	0	1	GEAF	
Cn1c(OC2CCN(Cc3ccccc3)CC2)nc(-c2ccncn2)cc1=O	146531160	OIDQBHGVYQWLJS-UHFFFAOYSA-N	377.448	2.281	0	1	GEAF	
O=c1n(CCCCNC[C@@H]2CCc3ccccc3O2)c(O)c2n1CSC2	169725338	SGZHZVDWIAURCO-HNNXBMFYSA-N	375.494	2.323	0	1	GEAF	
O=S(=O)(c1cccc(-c2ccccc2)n1)N1CCC(N2CCOCC2)CC1	201803005	JSLBDPOKXDOGEP-UHFFFAOYSA-N	387.505	2.234	0	1	GEAF	
CC1(c2cc(NC(=O)c3cnn4cccnc34)n(-c3ccc(CN)cn3)n2)CC1	203753361	CKKMCYZAENRFOT-UHFFFAOYSA-N	388.435	2.073	0	1	GEAF	
O=C(NCc1ccc(S(=O)(=O)C2CCOCC2)cc1)c1cc2cnccc2[nH]1	223611126	MCVGFFWNPOEQQF-UHFFFAOYSA-N	399.472	2.446	0	1	GEAF	
COc1cccc([C@]2(CC3OCCO3)N[C@H](C(=O)O)Cc3cccc(F)c32)c1	962910919	NPSGOEPWDGGWAT-UWJYYQICSA-N	387.407	2.440	0	1	GEAF	
C[C@H]1CCc2cc(F)cc3c(O)c(C(=O)NC[C@H]4CCCN(C)C4)c(=O)n1c23	1857575655	LWKSFZWBFDVACE-QWHCGFSZSA-N	387.455	2.425	0	1	GEAF	
CC(=O)N1CCN([C@H]2CC[C@H](N=c3nc[nH]n4ccc(C(C)C)c34)CC2)CC1	1857648486	FQBRQRVXPUQKLG-IYARVYRRSA-N	384.528	2.162	0	1	GEAF	
CC(=O)O[C@@H]1CCC(C)(C)[C@]2(O)C[C@H](O)[C@@H]3[C@H](C)C4=CC(=O)OC4=C[C@@H]3[C@]12C	2356477481	XQDLWVYAAGRVLS-KADSYEMNSA-N	390.476	2.489	0	1	GEAF	
Cc1nn(C)cc1CN(C)C(=O)[C@@H]1CCC(=O)N(CCc2cccc(F)c2)C1	12030628	NBSJVVZZAUSXPE-QGZVFWFLSA-N	386.471	2.307	0	3	GEAF	
CC(C)N1CCC[C@@H](O)[C@H](NC(=O)c2ccc(OCCN3CCCC3)cc2)C1	12480584	RUBDWBRZXAZGPG-NHCUHLMSSA-N	389.540	2.125	0	1	GEAF	biogenic
CCCC[C@H](CN(O)C=O)C(=O)N[C@H](C(=O)N1CCC(C)CC1)C(C)(C)C	13537121	NMZYSGNWGWRGMN-IAGOWNOFSA-N	383.533	2.430	0	1	GEAF	
Cc1ccc(C(=O)COC(=O)CCN2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2C=C[C@H]3[C@@H]3C[C@H]23)cc1	13784950	QRDAQKFOOJDULX-SIAAZYSWSA-N	393.439	2.164	0	1	GEAF	
CCOC(=O)Nc1cc(N[C@@H](C)[C@H](O)COc2ccccc2)c(N)c(N)n1	27196359	QHSMGQXDRPDLAM-SMDDNHRTSA-N	375.429	2.055	0	1	GEAF	
OC[C@H]1[C@@H](c2ccccc2)C2(CN(CCC(F)(F)F)C2)N1Cc1cncnc1	95794124	RLYPVUFRXFOPGL-ZWKOTPCHSA-N	392.425	2.444	0	1	GEAF	
COc1ccccc1CN1Cc2c([nH]c3cc(-c4ccco4)nn3c2=O)C1=O	101448259	SJFSTAPQOMYERB-UHFFFAOYSA-N	376.372	2.447	0	1	GEAF	
Cn1cnc2cc(-c3ccc(C(C)(C)N)cc3)nc(N[C@H]3CCOC3)c2c1=O	115624522	IZMDUQFILVUHPI-HNNXBMFYSA-N	379.464	2.390	0	1	GEAF	
CC(C)NC[C@H](O)COc1cc2c(cc1OC[C@@H](O)CNC(C)C)CCCC2	168364301	FNONAOHPLDQXBT-PMACEKPBSA-N	394.556	2.041	0	1	GEAF	
Cc1cncc(-c2cc3c(cn2)cnn3-c2cccc(N3CC4(CCNC4)C3)n2)n1	211007761	CJHZWEDFBINFAB-UHFFFAOYSA-N	398.474	2.381	0	1	GEAF	
COc1ccc(C(=O)Nc2ccc(F)c([C@@]3(CF)N=C(N)O[C@@H]4C[C@@H]43)c2)nc1	226058009	ITANNYRSIMNKBT-URKNILKWSA-N	388.374	2.380	0	1	GEAF	
CCCCNS(=O)(=O)c1ccc2nc(CS(=O)(=O)C3CCCC3)[nH]c2c1	586924260	NKLLQALSRDGLHC-UHFFFAOYSA-N	399.538	2.499	0	1	GEAF	
Cc1oc(CNS(C)(=O)=O)cc1-c1nc2c(Br)ccnc2[nH]1	586944976	UTOIUHLZLGRIGG-UHFFFAOYSA-N	385.243	2.338	0	1	GEAF	
O=S(=O)(NCc1cccs1)c1ccsc1-c1nc2cnnc(O)c2[nH]1	586945556	JAHLEZRAEFXXDU-UHFFFAOYSA-N	393.475	2.327	0	1	GEAF	
CNS(=O)(=O)c1ccc(CCc2nc3ccnc(Br)c3[nH]2)cc1	586947476	ZVSZSWMXVZFWGN-UHFFFAOYSA-N	395.282	2.414	0	1	GEAF	
COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2nc(Br)c[nH]c-2n1	587232283	VTYSTZFBGPONDA-UWVGGRQHSA-N	382.262	2.103	0	1	GEAF	
Nc1ccccc1[C@]1(CS(N)(=O)=O)CC(=O)c2ccc3c(c2O1)CCCC3	587532146	NNHGIYIVCYZAPC-HXUWFJFHSA-N	386.473	2.297	0	1	GEAF	
Cc1cc2c(cc1O)[C@@]1(N[C@H](C(=O)O)C2)c2cc(C(=O)O)ccc2OC1(C)C	963467807	HOBJDFSMXFVXLK-YCRPNKLZSA-N	383.400	2.412	0	1	GEAF	
O=c1[nH]c2cscc2c(=O)n1CCN1CCN(c2ccccc2Cl)CC1	576610	UKFTYFBCIKHBBV-UHFFFAOYSA-N	390.896	2.227	0	1	GEAF	
CCN[C@H](C)[C@@H]1CCN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C1	27997529	YTQCENZFVOVHPV-VXGBXAGGSA-N	388.443	2.393	0	1	GEAF	
COc1ccc([C@@H](O)[C@@H](C)N2CCN(c3cccccc3=O)CC2)cc1OC	39477146	VHWWMFMKKRWURA-ZHRRBRCNSA-N	384.476	2.308	0	1	GEAF	
C[C@H](c1ccc(N)cc1)[C@@H](CS)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)O	58542786	VMXQREUHMZHIOB-NXOUGTEYSA-N	388.489	2.436	0	1	GEAF	
O=c1c(NCC2CC2)c2n(c(=O)n1Cc1ccncc1)[C@@H](c1ccccc1)CN2	82209826	WNEIDIUEFWWDSQ-GOSISDBHSA-N	389.459	2.290	0	1	GEAF	
CC(C)N1[C@H](C(=O)NCc2ccc(F)cc2C(F)(F)F)CCS1(=O)=O	95565211	BIDOTMZAOXPHFI-ZDUSSCGKSA-N	382.379	2.273	0	1	GEAF	
CCC(=O)N1[C@@H](CO)[C@@H](c2ccc(-c3ccccc3)cc2)[C@@H]1CNC(=O)COC	95894988	NZQVWEYIOJOZRO-JTAQYXEDSA-N	396.487	2.182	0	1	GEAF	
Cc1cc(CO)nc(O[C@H](C(=O)O)C(O)(c2ccccc2)c2ccccc2)n1	142541242	YBIPKWXGCZRQDQ-GOSISDBHSA-N	380.400	2.045	0	1	GEAF	
CC(=O)c1ccc(-c2c(-c3nc(C)n4ncnc(N5CCC5)c34)cnn2C)nc1	169697389	MRUCHYXQNFIYOR-UHFFFAOYSA-N	388.435	2.308	0	1	GEAF	
Cc1nnc2sc(C(=O)NCc3cccc(S(C)(=O)=O)c3)c(N)c2c1C	221815258	NFYAIPMDEJDTJK-UHFFFAOYSA-N	390.490	2.224	0	1	GEAF	
Nc1ccnc2[nH]c([C@H](N)Cc3ccc(I)cc3)nc12	587184269	AHUYPGCNAFBPHU-LLVKDONJSA-N	379.205	2.387	0	1	GEAF	
O=c1c2cc(Cl)ccc2cnn1-c1ccc(S(=O)(=O)NC2CC2)cc1	587654670	MWJQRUVWPMDHAO-UHFFFAOYSA-N	375.837	2.480	0	1	GEAF	
CCCCc1cccc(N(C)S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)c1	1772600409	BNSNDRZCWYKODE-UHFFFAOYSA-N	387.461	2.384	0	1	GEAF	
CC=C1C[C@H](C)[C@](C)(OC(C)=O)C(=O)OCc2ccn3c2[C@H](CC3=O)OC1=O	2356464544	NTGIQQBAUYBEBF-ORBZYBPHSA-N	389.404	2.467	0	1	GEAF	
COCC(=O)N[C@@H]1[C@H](c2ccccc2)N(C(=O)C2CCCCC2)CC[C@@]1(C)O	2356527231	ZBTZWOSNBABGPS-TUNNFDKTSA-N	388.508	2.423	0	1	GEAF	
CC1(C)O[C@@]2([C@H]3C[C@@H](CC4=CN[C@H](N)C=C4)C[C@@H](CO)C3)CC[C@H]1[C@H](N)C2	2356852310	QOZQVKRYSUICKL-WERFEQIOSA-N	375.557	2.404	0	1	GEAF	
Cc1c(N2CC[C@@](N)(CF)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12	6520939	OBMRNVDWSAWQBS-LJQANCHMSA-N	377.391	2.200	0	1	GEAF	
CCOC(=O)N(C)CC[C@@]12C=C[C@H](O)C[C@@H]1Oc1c(OC)ccc(C=O)c12	13535631	JVIANMVESRMMMK-UVFQYZLESA-N	375.421	2.306	0	1	GEAF	
Cc1ccc(OS(=O)(=O)c2ccc3nc(S(N)(=O)=O)sc3c2)cc1	26502654	ZTPOXVYOZZOOOT-UHFFFAOYSA-N	384.460	2.020	0	1	GEAF	
Cc1nc(C(=O)N[C@H](C)C(=O)N[C@H](CO)C(C)C)cc2c1[nH]c1ccccc12	38301060	DKPUFUPKZQKGIQ-FZKQIMNGSA-N	382.464	2.276	0	1	GEAF	biogenic
CC[C@@H]1Cn2c(c(NC(=O)c3ccco3)c(=O)n(Cc3ccc(F)cc3)c2=O)N1	82208403	MDXISWANJYXHGY-CQSZACIVSA-N	398.394	2.247	0	1	GEAF	
O=C(O)CNC(=O)c1c(=O)oc(O)c2ccc(-c3ccc(F)c(F)c3)cc12	114873021	QVTJZCLNDKHRRZ-UHFFFAOYSA-N	375.283	2.258	0	1	GEAF	
Cc1cncc(-c2cc3c(cn2)cnn3-c2cccc([C@H]3CNCC[C@@H]3O)n2)n1	216487228	NRWVKWOODSLDFZ-QRWLVFNGSA-N	387.447	2.019	0	1	GEAF	
Cn1nc(-c2nc3cccc(F)c3[nH]2)c(I)c1C(=O)O	587180545	UQQLCBUSZKACNJ-UHFFFAOYSA-N	386.124	2.405	0	1	GEAF	
CC(C)(C)OC(=O)NC1(c2nc3ccc(-n4cnnn4)cc3[nH]2)CCC(O)CC1	587237283	QIBHWJIKZKUMMF-UHFFFAOYSA-N	399.455	2.194	0	1	GEAF	
Cc1nc([C@@H](CN)NC(=O)c2c[nH]c(-c3ccc(Cl)cc3)n2)sc1CO	1772582529	SEIFQNODSPCYPJ-GFCCVEGCSA-N	391.884	2.417	0	1	GEAF	
O=C(O)c1ccc(C(=O)N2CCc3nc(-c4ccccc4)nc(O)c3C2)nc1	1857556956	ZIWLBSVAJLYSCZ-UHFFFAOYSA-N	376.372	2.141	0	1	GEAF	
Cc1nccn1CCC1CCN(S(=O)(=O)c2ccc3c(c2)OCO3)CC1	1857648483	CXNHMLWLRYJIEA-UHFFFAOYSA-N	377.466	2.411	0	1	GEAF	
COCc1cc(C[C@@H]2CC[C@@H](O)[C@@H](CNCc3ccc(OC)cc3)O2)no1	2356333599	UQTHJSPUBPBGGS-DFQSSKMNSA-N	376.453	2.070	0	1	GEAF	
CC(C)[C@H](C)NC1=NS(=O)(=O)c2cc(I)ccc2N1	13524744	NMVRHHRSJFWXNH-QMMMGPOBSA-N	393.250	2.396	0	1	GEAF	
COc1ccc(NC(=O)C(C)(C)c2cc(C(=O)NCCN(C)C)ccc2N)cc1	27210359	KTNGCBXENLRICF-UHFFFAOYSA-N	398.507	2.485	0	1	GEAF	
O[C@H]1[C@H](O)CO[C@@H](Oc2ccc(Cc3ccc(Cl)cc3Cl)cc2)[C@@H]1O	28010493	OYKIHUWUINDFAK-XDNAFOTISA-N	385.243	2.402	0	1	GEAF	
NC(=O)c1ccc(-c2cc(C(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1	28770802	YSSAHKASSSTFFW-UHFFFAOYSA-N	392.387	2.223	0	1	GEAF	
CCOC(=O)C[C@@H]1C[C@@H](n2cc(-c3ccc(O)cc3)c3c(N)ncnc32)CN1	40893354	SFUOPNLOTSTSRR-UONOGXRCSA-N	381.436	2.242	0	1	GEAF	
CCN(CC)S(=O)(=O)N1CCC[C@H](c2nccn2Cc2ccncc2)C1	95525489	DTWPDZQKBJTFAR-KRWDZBQOSA-N	377.514	2.092	0	1	GEAF	
COc1ccccc1-n1c(-c2ccc(F)cc2)cn2c3c(=O)[nH]c(=O)[nH]c3nc12	95536847	OEBWRRQPMBOEOG-UHFFFAOYSA-N	391.362	2.470	0	1	GEAF	
Cc1cnc(C)c(N2C[C@@H]3CN(C(=O)c4ccccc4-c4ncn[nH]4)C[C@H]3C2)n1	116824709	GWHDYKVEWIHRHK-HZPDHXFCSA-N	389.463	2.087	0	1	GEAF	
NC(=O)C[C@H](Nc1cccc(O)c1)C(=O)Nc1nc2ccc3[nH]ncc3c2s1	202049232	UBGXMRPQIYVDEN-AWEZNQCLSA-N	396.432	2.173	0	1	GEAF	
CCc1ccccc1-n1c(C)cn2c3c(=O)n([C@H](C)COC)c(=O)n(C)c3nc12	621431576	PKXBFMLVCJQNOT-CQSZACIVSA-N	395.463	2.217	0	1	GEAF	
O=C(C=Cc1ccccc1)O[C@@H]1C=CC(=O)O[C@@H]1[C@H](O)[C@@H](O)c1ccccc1	2356382597	GWFOGXDMANDIHC-YCZSINBZSA-N	380.396	2.188	0	1	GEAF	
C[C@H](CCCCCCCC[C@H](O)CC(=O)O)O[C@@H]1O[C@H](C)[C@@H](O)C[C@@H]1O	2356495009	ARJGFPSUJRWUSF-YNNDZGMISA-N	376.490	2.205	0	1	GEAF	
C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2C[C@@H](O)[C@]2(C)[C@H](C3=CC(=O)NC3)CC[C@]12O	2356737281	IBMKZSHPOYLMEB-SJLKERLLSA-N	389.536	2.148	0	1	GEAF	
COc1ccc(CN2[C@@H](C(=O)NC3CCCC3)CSCCS2(=O)=O)cc1	96020307	HZXKKIKGZBASIG-QGZVFWFLSA-N	398.550	2.001	0	3	GEAF	
CCOC(=O)[C@@H]1[C@H](NC(N)=O)N(Cc2ccccc2)C(=O)N1Cc1ccccc1	1625724	QUAHIQSUJSPESD-ZWKOTPCHSA-N	396.447	2.051	0	1	GEAF	
COc1ccc(NC(=O)O[C@@H]2CO[C@@H]3[C@@H](NC(=O)c4ccccc4)CO[C@@H]23)cc1	25227739	KRXJMBITQJYWNP-MANSERQUSA-N	398.415	2.209	0	1	GEAF	biogenic
CN1C[C@@H](C(=O)NCc2cccnc2N2CCc3ccccc3C2)CCC1=O	39405652	IEAFPJAFXKPODS-IBGZPJMESA-N	378.476	2.129	0	1	GEAF	
COc1cc(CNc2nc(N3CCN(C)CC3)ncc2C)cc(OC)c1OC	82202790	LSYGEZZXFVXZFI-UHFFFAOYSA-N	387.484	2.175	0	1	GEAF	
CC(=O)N(C)C[C@H]1Oc2c(NC(=O)NC(C)C)cccc2C(=O)N(C)C[C@H]1C	95661460	XCOQKNQHNZSMKW-CXAGYDPISA-N	390.484	2.164	0	1	GEAF	
COc1ncc(-c2cc3c(C)nc(N)nc3n([C@H]3CC[C@@H](O)CC3)c2=O)cc1F	117700045	LDXQKPQUJDNPMM-JOCQHMNTSA-N	399.426	2.368	0	1	GEAF	
CO[C@@H]1O[C@H](C)[C@H](NC(=O)OCC(Cl)(Cl)Cl)[C@@H]2OC(C)(C)O[C@@H]21	254209871	YFKJKRUBPJRRGY-SQQIUAQRSA-N	392.663	2.363	0	1	GEAF	
Nc1nc(O)c2nc(Cc3csc(NC(=O)Nc4ccccc4)n3)[nH]c2n1	587019468	OAFXFFDEXOEVOD-UHFFFAOYSA-N	382.409	2.332	0	1	GEAF	
Cc1ccc2c3c(cc(CC(=O)N4CCNC(=O)C4)nc13)-c1ccccc1C2=O	587097995	RQQLOMAGEZECBB-UHFFFAOYSA-N	385.423	2.256	0	1	GEAF	
O=S(=O)(c1ccc2c(c1)OCO2)N1C[C@@H]2c3ccccc3-n3ccnc3[C@@H]2C1	1772622356	UKRKUVALBYZQSK-HZPDHXFCSA-N	395.440	2.486	0	1	GEAF	
O=C(NCc1ncc[nH]1)c1csc(CCNCc2nc3ccccc3[nH]2)n1	1857572325	LUQXOKVPLPOASN-UHFFFAOYSA-N	381.465	2.005	0	1	GEAF	
COC(=O)[C@H]1CCC(=O)N1C(c1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2	6005708	PXLSWHBCHOHGNX-CQSZACIVSA-N	397.383	2.397	0	1	GEAF	
Cn1ccnc1SCCNC(=O)c1coc(CN2CCc3ccccc3C2)n1	23339272	MNIZGNPXHJPAIR-UHFFFAOYSA-N	397.504	2.489	0	1	GEAF	
CC(=O)OC(C)(C)C(=O)N1C(=O)C[C@@H]2[C@@H]1CC[C@H]2C(=O)OCc1ccccc1	27518461	QVBHXLNWUKWXLM-IKGGRYGDSA-N	387.432	2.225	0	1	GEAF	
O=C(O)C[C@H](NC(=O)CCC(=O)Nc1ccc2c(c1)CNC2)c1ccccc1	28383898	DBOQCKFLGLRZBD-SFHVURJKSA-N	381.432	2.341	0	1	GEAF	
O=C(O)C[C@@H]1C[C@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@H]2[C@@H](CO)O1	95899387	NDCVSESZJQEXEJ-VGDUNAEUSA-N	390.436	2.220	0	1	GEAF	
CCCNC(=O)N[C@H]1CC[C@H](CCn2cc(C3CCCCC3)nn2)O[C@H]1CO	95903205	DEXIUYVPHBRLOT-AOIWGVFYSA-N	393.532	2.334	0	1	GEAF	
COC(=O)C1=C[C@H]2C3=C(NCCCCN)c4ccccc4N(C)C3=N[C@@H]2C=C1	103164714	JPHFRVUXYGIDJY-IAGOWNOFSA-N	378.476	2.242	0	1	GEAF	
CNc1nc(N2CCOC[C@@H]2C)c2ccc(-c3ccc(OC)c(CO)c3)nc2n1	138806699	BRRLTJPRSNFRQS-ZDUSSCGKSA-N	395.463	2.460	0	1	GEAF	
Cc1ccc(-n2nccn2)c(C(=O)NCCn2cc(-c3ccc(F)cn3)cn2)c1	143678261	IIOKTGYGYMXVDL-UHFFFAOYSA-N	391.410	2.403	0	1	GEAF	
O=C1NS(=O)(=O)c2cc(-n3cc(-c4ccccc4C(F)(F)F)nn3)ccc21	169309503	AXALTRSZNOOXDX-UHFFFAOYSA-N	394.334	2.385	0	1	GEAF	
COc1ccc(C(=O)c2ccc(=O)n(CCNC(=O)OC(C)(C)C)c2)c(O)c1	169699089	FBIPSSLYWHYGDR-UHFFFAOYSA-N	388.420	2.318	0	1	GEAF	
CN1[C@H]2C[C@H](OC(=O)c3ccccc3)C[C@@H]1[C@@H](O)[C@H]2OC(=O)c1ccccc1	238737733	RJHQYFUSJXOHHZ-OBKDMQGPSA-N	381.428	2.275	0	1	GEAF	
COC(=O)[C@@H]1Cc2c(n(C)c3ccccc23)[C@H]2C[C@H]3C=CC(=O)OC[C@@H]3CN12	238774765	IWLOQDNPIAIHNV-CFGMGRTJSA-N	380.444	2.368	0	1	GEAF	
C[C@@H]1CN(c2c(F)cc3c(=O)c(C(=O)O)cn([C@H]4C[C@H]4F)c3c2F)CCN1	299805700	ZKANFWGDCSTQRW-DYLAAIIWSA-N	381.354	2.059	0	1	GEAF	
COc1ccc(S(=O)(=O)N[C@H](c2nc3cc(F)c(F)cc3[nH]2)[C@H](C)O)cc1	586935157	CGYAUUASCAWBLF-FVMDXXJSSA-N	397.403	2.250	0	1	GEAF	
O=C(NCc1ccc(-c2noc(-c3ccc(Cl)cc3)n2)cc1)[C@H]1NCC[C@@H]1O	653696872	QAROVNGIKMDZEE-IRXDYDNUSA-N	398.850	2.396	0	1	GEAF	
COc1cc([C@H]2N[C@@H](C(=O)O)Cc3cc(OC(F)(F)F)ccc32)oc(=O)c1	962635588	NTOLBFKQMSWPLN-DOMZBBRYSA-N	385.294	2.235	0	1	GEAF	
Nc1onc(-c2ccc(Cl)cc2)c1C(=O)Nc1ccc(S(N)(=O)=O)cc1	1772639541	ZYRYEGDPYHPNRA-UHFFFAOYSA-N	392.824	2.477	0	1	GEAF	
Cc1ccc(NC(=O)[C@H]2[C@@H]3C(=O)N(Cc4cccnc4)C[C@]34C=C[C@H]2O4)cc1	13131831	KKELNQXQWMMKDJ-JPAWQOSXSA-N	375.428	2.311	0	1	GEAF	
COc1cc(O)cc([C@@H]2Oc3c(c(OC)cc4ccc(=O)oc34)O[C@H]2CO)c1	15268965	DAQYGJQQKJBBJA-RDJZCZTQSA-N	386.356	2.389	0	1	GEAF	biogenic
CC(=O)N1CC[C@@H]2c3c(nc(-c4ccc5c(c4)OCCO5)[nH]c3=O)S[C@H]2C1	28524429	KMFHEPNXBGOZDT-WFASDCNBSA-N	385.445	2.018	0	1	GEAF	
CCN(C[C@H]1[C@H](c2ccc(-c3cccnc3)cc2)[C@@H](CO)N1C(C)=O)C(C)=O	95895923	AHPRIPWQPCWYIR-BDTNDASRSA-N	381.476	2.292	0	1	GEAF	
CC[C@@H](C)[C@H]1NC(=O)C(SCC(=O)NCc2ccc3c(c2)OCO3)=C1O	100603450	UKJBYOMODXGBAG-MEBBXXQBSA-N	378.450	2.079	0	1	GEAF	
CN1C(=O)[C@]2(N=C1N)c1cc(-c3cccnc3F)ccc1O[C@H]1CCOC[C@@]12C	103253300	IEKFRFUMPZXQKY-ORYQWCPZSA-N	396.422	2.057	0	1	GEAF	
C[C@]1(O)C[C@]23CC[C@H]1C[C@@H]2[C@@]12CCC[C@@]4(C)[C@H]5OCCN5[C@@H]1O[C@H]3[C@@H](O)[C@H]42	103586136	URFSNQGBOARTFK-ODRFKSQMSA-N	375.509	2.108	0	1	GEAF	biogenic,in-vitro
O=S(=O)(N[C@@H](c1ccccc1)c1nc2c(O)ncnc2[nH]1)c1ccc(F)cc1	587171541	RLCNQVPMBPFBKO-AWEZNQCLSA-N	399.407	2.266	0	1	GEAF	
COCCNC(=O)c1cccc(NC(=O)CCc2nc3ccc(O)cc3[nH]2)c1	587230524	HNUFJHXVCNPUPS-UHFFFAOYSA-N	382.420	2.216	0	1	GEAF	
NC(=O)Cn1nc(-c2ccc(-c3ccc(Br)cc3)s2)oc1=O	653822662	NVJHNIKGVKWAGW-UHFFFAOYSA-N	380.223	2.480	0	1	GEAF	
Cc1cc(C)c(Oc2cc(N)nc(NCCn3ccc(O)nc3=O)n2)c(C)c1	1772635122	RAIIFMXJDBBKNU-UHFFFAOYSA-N	382.424	2.151	0	1	GEAF	
COc1ncnc2scc(C(=O)NCc3ccc(CN4CCOCC4)cc3)c12	1857556609	RIMSQILFGBJDSY-UHFFFAOYSA-N	398.488	2.462	0	1	GEAF	
CSCCOc1ccc2c(c1C(=O)O)OB(O)[C@@H](Sc1nncs1)C2	1911586211	BWLYGHWGACZSKN-JTQLQIEISA-N	398.296	2.094	0	1	GEAF	
COCCNC(=O)C[C@@H]1C[C@H](C(C)C)[C@@H](CNC(=O)c2cnccn2)C=C1C	2356316314	VLNVROQVJSHJAD-RCCFBDPRSA-N	388.512	2.214	0	1	GEAF	
CNC(=N)NC[C@]1(C)[C@H]2CC3=C(C(=O)O)[C@H](O)C[C@]31[C@H](C)CC21CCCC1	2356370773	SWKFANOTEGEVNM-DWJKVPFWSA-N	375.513	2.489	0	1	GEAF	
COC(=O)C[C@H](O)C[C@H](O)CC[C@@H]1c2ccc(C)cc2[C@H](OC)[C@H](O)[C@@H]1C	2356600875	CUCVIRMSOSHTLP-XIOBDQBBSA-N	380.481	2.232	0	1	GEAF	
COC1=CC2=C(O)C(=O)N3[C]([C@H]4CCCN4C(=O)c4cc(OC)ccc43)N2C=C1	2356875749	IGLYCPSKFPNEAE-MRXNPFEDSA-N	394.407	2.279	0	1	GEAF	
CC(=O)N1CC[C@]2(c3ccccc3N(C(C)=O)[C@H]2c2ccc(O)cc2)[C@H]1C(=O)O	1619892	VAKSZXZIYLNMIF-TUNNFDKTSA-N	394.427	2.443	0	1	GEAF	
CC(=O)N1CCN(C(=O)c2cc(Sc3cnc(N)s3)ccc2C)CC1	29038311	VDEUFLSMJCUZSU-UHFFFAOYSA-N	376.507	2.489	0	1	GEAF	
O=S1(=O)CC[C@@H](Nc2n[nH]c3nc(Oc4ccc(F)cc4F)ncc23)C1	71334972	ZQRQQGXMLHABMC-SECBINFHSA-N	381.364	2.022	0	1	GEAF	
COc1ncc(Nc2ncc(C(C)(C)O)cc2-c2nc(C)nc(N)n2)cc1F	113239800	JTIBGKGGRQKKJP-UHFFFAOYSA-N	385.403	2.338	0	1	GEAF	
O=C(O)CNC(=O)c1c(=O)oc(O)c2ccc(-c3cc(F)c(F)c(F)c3)cc12	114873750	VXGRECMXJKQTTL-UHFFFAOYSA-N	393.273	2.397	0	1	GEAF	
COC1CN(c2ncnn3c(C)nc(-c4cnn(C)c4-c4ccc(C)cn4)c23)C1	169697349	QLHDASFAKLVMHD-UHFFFAOYSA-N	390.451	2.039	0	1	GEAF	
OCC(CO)NC[C@@H](O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21	211009725	TWHBQZZTCGZKKG-CQSZACIVSA-N	383.275	2.405	0	1	GEAF	
COc1ccccc1NC(=O)Cn1ccc(=O)n(Cc2cc(C)cc(C)c2)c1=O	299856052	HBXVIZVIKRGRSH-UHFFFAOYSA-N	393.443	2.322	0	1	GEAF	
Cc1nc(C)c(Cc2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)s1	587013094	ZSHZDWIHBSDNOT-UHFFFAOYSA-N	392.506	2.248	0	1	GEAF	
CCN(CC)C(=O)[C@H](C)[C@@H]1CC[C@]2(C)CC[C@H](NC(=O)COC)[C@H](C)[C@H]2[C@H]1O	2356609735	LPSKKVXXWOGLFU-AALPIVBESA-N	396.572	2.445	0	1	GEAF	
CC(=O)Nc1ccc(CN2C[C@@H](O)C[C@H]2c2nc(-c3ccncc3)no2)cc1	2356834859	KFEZYDYSJJVPII-ROUUACIJSA-N	379.420	2.398	0	1	GEAF	
COc1ccc(C)cc1NC(=O)CNC(=O)Cn1ccc2ccccc2c1=O	4110514	SGGIUOWWJABNMQ-UHFFFAOYSA-N	379.416	2.073	0	3	GEAF	
NC(=O)C1=C[C@H](c2ccc3c(c2)OCO3)C[C@H](OCc2ccc(CO)cc2)O1	13656552	IZADCBDSQZESHE-OXJNMPFZSA-N	383.400	2.324	0	3	GEAF	
COc1ccc(OC)c(S(=O)(=O)N2C[C@H]3ON=C(c4ccccc4)[C@@H]3C2)c1	205216881	WSZLJFGIQMLXKO-NVXWUHKLSA-N	388.445	2.127	0	3	GEAF	
O=C(O[C@H]1CCN2C[C@H]3C[C@H](CN4C(=O)CCC[C@H]34)[C@@H]2C1)c1ccc(O)cc1	5459269	UZNOIYSGPGTEIH-AFKBCAQJSA-N	384.476	2.413	0	1	GEAF	
C[C@@H](SC(=S)N1CCOCC1)C(=O)Nc1nnc(-c2ccccc2)o1	6491489	FJJSHCMKYLCZMJ-LLVKDONJSA-N	378.479	2.414	0	1	GEAF	
Cc1c(Sc2cc(Cl)cc(Cl)c2)n(COCCO)c(=O)[nH]c1=O	6520133	JIUORDFAVCUCGX-UHFFFAOYSA-N	377.249	2.269	0	1	GEAF	
COc1cccc2c1CCC[C@H]2C(=O)NCCN1CCN(c2ccccn2)CC1	13757316	FLUORPLKDHALHQ-HXUWFJFHSA-N	394.519	2.449	0	1	GEAF	
COC(=O)[C@@H]1C[C@@]23C=C[C@]1(OC)[C@@H]1Oc4c(OC)ccc5c4[C@@]12CCN(C)[C@@H]3C5	28263629	MOJBKWAKHXFXPN-FFEUSGHHSA-N	397.471	2.089	0	1	GEAF	
O=C(NN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O)c1ccc(C(F)(F)F)cc1	28636480	CSKDFZIMJXRJGH-LEYGVYNDSA-N	376.334	2.403	0	1	GEAF	in-man
CCCC[C@@H](N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(=O)O	29340396	SFSPBYKWGITRFL-SQNIBIBYSA-N	392.496	2.446	0	1	GEAF	
O=C1c2ccc(C3=NCCN3)cc2S(=O)(=O)c2cc(C(F)(F)F)ccc21	29552502	ZIPFRSSTCLZJAM-UHFFFAOYSA-N	380.347	2.432	0	1	GEAF	
CC(C)[C@@H](NS(=O)(=O)c1ccc(-c2ccc(OC(N)=O)cc2)cc1)C(=O)O	73139622	PMTZTYUJUOZWPP-MRXNPFEDSA-N	392.433	2.199	0	1	GEAF	
CC(C)[C@@H]1Cn2c(c(NCc3ccoc3)c(=O)n(Cc3ccncc3)c2=O)N1	82206229	UTTIWXLLSVTCJS-INIZCTEOSA-N	381.436	2.109	0	1	GEAF	
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3ccnn3c2)c1F	84653266	UKOHGWFGCFOXSV-UHFFFAOYSA-N	395.391	2.412	0	1	GEAF	
C/C=C/c1ccc([C@@H]2[C@@H](CN(CC)C(=O)CC)N(S(C)(=O)=O)[C@H]2CO)cc1	95895688	HSUXERLKQQDBIM-WWDCVPDGSA-N	394.537	2.067	0	1	GEAF	
O=C(COc1ccc(Cl)cc1Cl)NN1C(=O)[C@H]2[C@@H]3C=C[C@H](C3)[C@H]2C1=O	141933157	UXXQFUHSXRXCPI-CXDKZYLESA-N	381.215	2.211	0	1	GEAF	
COc1ccc(C(=O)N2CCN(c3nn4cnnc4c4ccccc34)CC2)cc1	169312442	QXZRMTJDRUGHOA-UHFFFAOYSA-N	388.431	2.249	0	1	GEAF	
Cn1cc(-c2cc3c(cn2)cnn3-c2cccc([C@@]3(O)CCCNCC3)n2)cn1	211013865	DIMWPKIMCQOTSC-OAQYLSRUSA-N	389.463	2.177	0	1	GEAF	
CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2ccc(S(C)(=O)=O)cc2[nH]1	587194186	NYVOZPZDUKVXAH-CQSZACIVSA-N	396.513	2.484	0	1	GEAF	
CCS(=O)(=O)c1ccc2nc([C@H]3CCCC[C@H]3C(=O)NCCOC)[nH]c2c1	587230026	DXWMAJOXGPCBAO-LSDHHAIUSA-N	393.509	2.393	0	1	GEAF	
CCCc1c(O)ccc2c1O[C@](CS(N)(=O)=O)(c1ccccc1N)CC2=O	587482819	DVJLCABQCNUCNH-LJQANCHMSA-N	390.461	2.076	0	1	GEAF	
COc1ccc2c(c1)[C@@]1(N[C@@H](N)N(C)C1=O)C1(CCc3ccccc3CC1)C2	1772633546	YGKSFBUXLFXNHW-GGAORHGYSA-N	377.488	2.316	0	1	GEAF	
NCc1cc(OCc2cccc(C(=O)NCc3cc4cccnc4[nH]3)c2)ncn1	1857581686	JUIPTZHEZBFGML-UHFFFAOYSA-N	388.431	2.321	0	1	GEAF	
CC(C)CC(=O)O[C@@H]1C[C@H]2C[C@@H](OC(=O)[C@H](CO)c3ccccc3)C[C@H]1N2C	2356331882	UOEYCNAEZZOSJM-LASHMREHSA-N	389.492	2.499	0	1	GEAF	
CC(C)c1nccc(C[C@@H]2[C@H](NCc3ccc4c(c3)OCO4)C[C@H](O)[C@H]2CO)n1	2356732430	HILKCFMYXRICBE-OKYOBFRVSA-N	399.491	2.019	0	1	GEAF	
COCCNc1nc2c(S(=O)(=O)c3ccccc3)nnn2c2ccccc12	6804940	FZTUDLPMDVPJGW-UHFFFAOYSA-N	383.433	2.169	0	1	GEAF	
COc1cc(C)c(C(=O)Oc2c(C)c(C(=O)O)c(O)c(C)c2O)c(O)c1C=O	13411650	HEDMFNAWESICHB-UHFFFAOYSA-N	390.344	2.467	0	1	GEAF	biogenic
NCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)NCc1ccccc1	13490464	LTPXHKJHVKQPSW-FQEVSTJZSA-N	393.491	2.043	0	1	GEAF	
CCCNC(=O)N1CCN(c2ccc([C@H]3CC(C(=O)OCC)=NO3)cc2)CC1	40916858	VXSTUEDTESKMCD-GOSISDBHSA-N	388.468	2.309	0	1	GEAF	
Cc1ccc(-c2nc(C(=O)N[C@H](C)C(=O)NCCCN3CCCC3)co2)cc1	82070645	HAVAFTVRQVTISH-MRXNPFEDSA-N	384.480	2.370	0	1	GEAF	
COC(=O)[C@H]1C[C@@H](O)C[C@H]2[C@H]1C(=O)C[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C	85695073	LPHWMSVPEOJPHG-RWHNFGNUSA-N	376.405	2.039	0	1	GEAF	in-man
CNc1nc(Nc2ccc(C(=O)N3CC4(COC4)C3)cc2OC)ncc1Cl	169705115	BHJVCEUMPVQICF-UHFFFAOYSA-N	389.843	2.396	0	1	GEAF	
O=C(NCc1ccccc1)[C@H]1[C@@H]2C(=O)N(Cc3cccs3)C[C@@]23C=C[C@H]1O3	227271139	IILVDRCTCCJXCW-IKVWTGGYSA-N	380.469	2.347	0	1	GEAF	
C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc(Cl)c(Cl)nc2[nH]1	586938059	ILSAGCANWCYURD-LURJTMIESA-N	375.241	2.038	0	1	GEAF	
Cc1oc(CNS(C)(=O)=O)cc1-c1nc2cncc(Br)c2[nH]1	586944904	QLPSPRCBBYQEGM-UHFFFAOYSA-N	385.243	2.338	0	1	GEAF	
CCOC(=O)C1CCN(C(=O)c2c(C)[nH]c3ccc(S(C)(=O)=O)cc23)CC1	587651746	YCRLLQWAHDFUFQ-UHFFFAOYSA-N	392.477	2.295	0	1	GEAF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H]3CN[C@H](C(=O)O)[C@@H]3C2)N1	587795302	OFMDKCFZQMYUCZ-RVUOGPELSA-N	383.261	2.400	0	1	GEAF	
COC(=O)CC1(CC(=O)OC)N[C@@H](C)Cc2ccc(F)c(Br)c21	587812439	ZGDVHSKHXGJILG-VIFPVBQESA-N	388.233	2.444	0	1	GEAF	
CN(C)C(=O)c1ccc2c(c1)[C@]1(CCN3C(=O)c4ccccc4N[C@H]31)NCC2	962936687	PLEABMQAOACBTF-YADHBBJMSA-N	376.460	2.027	0	1	GEAF	
COC(=O)[C@]1(CC(=O)c2ccncc2)NCCc2cc3cccc(OC)c3nc21	963049894	VZQLCPOOQDYMJB-JOCHJYFZSA-N	391.427	2.425	0	1	GEAF	
C[C@]12CC[C@H](O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@]2(C)[C@H](C3=CC(=O)OC3)CC[C@@]12O	2356427095	OIPRFQNNGWFTIU-JFMQDBEUSA-N	388.504	2.495	0	1	GEAF	
CNC(=N)N[C@@H](C)CCCC(=O)CC(=O)CCc1ccc(O)c2c1CCCO2	2356575262	GYPJZJOTACPYQA-AWEZNQCLSA-N	389.496	2.481	0	1	GEAF	
Cc1cc2ccccc2c(=O)n1CC(=O)NCC(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C	4575821	OIKYAYVZXUPPOB-SIXWZSSISA-N	383.492	2.367	0	1	GEAF	
CCNC[C@H]1CCN(c2c(F)c(N)c3c(=O)c(C(=O)O)cn(CC)c3c2F)C1	13649645	SLMOCLOHSULBSH-SNVBAGLBSA-N	394.422	2.016	0	1	GEAF	
O[C@H]1[C@H](N2CCC(Oc3ncccn3)CC2)c2ccccc2C12CCNCC2	23191945	BSSAUCLEEIUUCA-UXHICEINSA-N	380.492	2.057	0	1	GEAF	
CNC(=S)NC[C@H]1CN(c2cc(F)c3c(c2)SC[C@@H]2CCCN32)C(=O)O1	40568663	SEYRQYUYMOFHFD-JQWIXIFHSA-N	396.513	2.319	0	1	GEAF	
Cc1nc(-c2nc(N3CCOCC3)[nH]c2-c2ccc3ncnn3c2)ccc1F	40933816	CIRCIOIQLMLPCO-UHFFFAOYSA-N	379.399	2.466	0	1	GEAF	
COC[C@H](O)COc1ccc(C(C)(C)c2ccc(OC[C@H](O)CO)cc2)cc1	71318631	GCLSCNOGXASPBH-MOPGFXCFSA-N	390.476	2.131	0	1	GEAF	biogenic
CCCCC[C@@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C/CCCc1nnn[nH]1	89456645	AOWHTVYCPZKGPH-ONHUYGEDSA-N	378.517	2.324	0	1	GEAF	
Cn1cc(-c2cc(S(C)(=O)=O)ccc2N[C@@H]2CCOC2)c2cc[nH]c2c1=O	146473393	JENZEOHHTZWURR-GFCCVEGCSA-N	387.461	2.138	0	1	GEAF	
COc1ccc([C@@H](O)[C@H](CO)Oc2ccc(/C=C\CO)cc2OC)cc1OC	238787827	GAYRERFQJBZHBH-ZYNVHPMPSA-N	390.432	2.191	0	1	GEAF	
Cc1oc(CNS(C)(=O)=O)cc1-c1nc2ccc(OCCN(C)C)cc2[nH]1	586945213	BJYQONLTGKPJIC-UHFFFAOYSA-N	392.481	2.121	0	1	GEAF	
N=c1[nH]c2nc(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)nc-2c(Cl)[nH]1	587112818	NVJPWPXNPLUYDY-UHFFFAOYSA-N	395.736	2.091	0	1	GEAF	
Cc1cc(N)c2c(c1)C(=O)C[C@](CN1CCOCC1)(c1c(C)nn(C)c1C)O2	587389332	HLJCSNXRAXUQLH-NRFANRHFSA-N	384.480	2.120	0	1	GEAF	
N[C@H](O)[C@@H]1S[C@H](N2CCOCC2)C[C@@H]1OCC(F)(F)C1CCCCC1	1857641216	FRWMPIYMGIKTCB-CAOSSQGBSA-N	380.501	2.028	0	1	GEAF	
CC(C)=CC[C@@H]1C(=O)N2c3ccccc3[C@H]1[C@]21NC(=O)C(=Cc2c[nH]cn2)N1	2356378356	GZLJILCJSJSFSB-KLHJMIIUSA-N	375.432	2.240	0	1	GEAF	
COc1ccc2[nH]c([S@](=O)Cc3cc(N4CCOCC4)c(F)cn3)nc2c1	3778169	NQXZYPXNNFVGQP-MHZLTWQESA-N	390.440	2.250	0	1	GEAF	
CC(=O)c1ccc(N2C(=O)[C@@H]3CN(C(=O)c4cccs4)CCN3C2=O)cc1	8295547	XTJLBIVRIBQCKE-HNNXBMFYSA-N	383.429	2.244	0	1	GEAF	biogenic
COc1cc2nc(N3CCN(C(=O)c4ccco4)C[C@H]3C)nc(N)c2cc1OC	13826094	YLGRQWZHMWAOBT-GFCCVEGCSA-N	397.435	2.173	0	1	GEAF	
NS(=O)(=O)c1ccc(CCOC(=O)c2c(F)c(F)c(F)c(F)c2F)cc1	13835325	BLVKMKRIUUIUQO-UHFFFAOYSA-N	395.305	2.429	0	1	GEAF	
O=C([C@@H]1C[C@@H](Oc2ccc(F)cc2)CN1)N1CCCN(C2CCCC2)CC1	72179781	NMGQVIBOWRVISE-UXHICEINSA-N	375.488	2.412	0	1	GEAF	
CNc1nc2[nH]c(-c3cccc(CN(C)C(=O)COC)n3)cc2c2c1ncn2C	73142085	IDLZPACLHTWGRU-UHFFFAOYSA-N	393.451	2.158	0	1	GEAF	
Nc1nc(C[C@H](O)c2ccccc2C(F)(F)F)c(Br)c(=O)[nH]1	96914686	OXVIYOMSGJQTJP-VIFPVBQESA-N	378.148	2.410	0	1	GEAF	
COc1nc(N2CC(c3nc4ccccc4n3C)C2)cc(-n2cc(C)cn2)n1	143095867	PDLTYNGCJLJHOB-UHFFFAOYSA-N	375.436	2.470	0	1	GEAF	
COC(=O)[C@@]12C[C@H]3C[C@@H]([C@H](C)O)[C@@H]1N(CCc1c2[nH]c2cc(OC)ccc12)C3	238785760	XGWIRMWTCWJZPG-BZRSNJJFSA-N	384.476	2.235	0	1	GEAF	
O=C(NCc1cccs1)[C@H]1[C@H]2C=C[C@@]3(CN(Cc4cccs4)C(=O)[C@H]13)O2	250076108	DXCOMXHKAVHGJW-DRMAHVMPSA-N	386.498	2.408	0	1	GEAF	
Nc1nc(O)c2nc(/C=C\c3cccc(I)c3)[nH]c2n1	587184412	SHBFQDKQGZBZMH-PLNGDYQASA-N	379.161	2.416	0	1	GEAF	
C[C@@]1(CC(=O)N2CCOCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	587596683	SLMFJETYDXFGNV-RXVVDRJESA-N	383.400	2.361	0	1	GEAF	
C=C1NNC(=O)C(c2nc(-c3ccc(NS(C)(=O)=O)cc3)cs2)=C1C	587924274	PLIRUPNUGPIPGA-UHFFFAOYSA-N	376.463	2.103	0	1	GEAF	
COc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccccc3)nc(COCCO)c12	1772593480	NGWPVUDPKWTGQY-GFCCVEGCSA-N	385.424	2.358	0	1	GEAF	
COc1ccc(N2C(=O)NC(=O)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1O	1857640443	MGWQVEUENKGBGC-MRXNPFEDSA-N	388.376	2.224	0	1	GEAF	
CC[C@@H]1CN(C(=O)c2ccccc2)CC[C@@H]1CC(=O)N1CC[C@@H](NC(C)=O)C1	2356852530	QQMSNGSXHFYIKU-MISYRCLQSA-N	385.508	2.302	0	1	GEAF	
O=C(NC1CCCCCC1)[C@@H]1[C@@H]2C(=O)N(Cc3cccnc3)C[C@]23C=C[C@H]1O3	4914330	UOCISZFZWYHAPM-VQQMMKBISA-N	381.476	2.203	0	1	GEAF	
CCN(CC)CCCNC(=O)CN1C(=O)[C@H](c2ccccc2)Oc2cccnc21	6796044	MIUFZIWQTGZNSI-FQEVSTJZSA-N	396.491	2.396	0	1	GEAF	
COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C)CC31CN(C(=O)C2CCC2)C1	95662128	LCNVNGFFJPQQPW-SFHVURJKSA-N	383.492	2.046	0	1	GEAF	
CCCc1cn(CC[C@@H]2CC[C@@H](NC(=O)C3CCCCC3)[C@@H](CO)O2)nn1	95675283	GHLUFTIHFDMMKJ-IPMKNSEASA-N	378.517	2.226	0	1	GEAF	
O=C(C1CC1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4ccccc4F)cc3)[C@@H]2C1	95797496	QETWDIOFYADYNM-VWPQPMDRSA-N	394.446	2.400	0	1	GEAF	
O=C(Nc1ccc(F)cc1)N[C@@H]1CC[C@H](CC(=O)N2CCCCC2)O[C@H]1CO	95906012	KCKILWFDBJPGIO-KURKYZTESA-N	393.459	2.258	0	1	GEAF	
Cc1c(C(=O)NCc2ccc(C(F)(F)F)cc2)[n+]([O-])c2ccccc2[n+]1[O-]	102226118	PMUUROBFLXLHEE-UHFFFAOYSA-N	377.322	2.364	0	1	GEAF	
COc1cccc([C@@H]2CN(c3nc(-c4ccncc4)cc(=O)n3C)CCN2)c1	116772925	BOVSPBWFWORURG-IBGZPJMESA-N	377.448	2.002	0	1	GEAF	
C[C@@H](c1nc(=O)c2cnc(C3CCOCC3)n2[nH]1)N1CC(c2ccc(O)cc2)C1	205456113	URMMQAZEDQVFPP-ZDUSSCGKSA-N	395.463	2.178	0	1	GEAF	
COc1cc2c3c(c1)O[C@]1(c4ccccc4SCC1(CO)CO)[C@@H](C2)C3=O	587451162	IPPVMZNZWJUQLP-YCRPNKLZSA-N	384.453	2.415	0	1	GEAF	
O=C(O)c1cc2n(n1)CCC[C@@]21N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21	962971138	SOSBDLZATRLJIJ-BMLIUANNSA-N	397.765	2.149	0	1	GEAF	
Cn1c(=O)c2c(nc3n2CCCN3Cc2cc(Cl)ccc2Cl)n(C)c1=O	1857620183	CZMIMOVMBQVLSD-UHFFFAOYSA-N	394.262	2.151	0	1	GEAF	
CS(=O)(=O)c1nc(-c2cccn(Cc3ccc(Cl)cc3Cl)c2=O)n[nH]1	1857637106	KMFCXAVGNYFGBT-UHFFFAOYSA-N	399.259	2.392	0	1	GEAF	
CCCc1nc2sc3c(c2c(=O)n1NC(=O)CCC(=O)OC)CCCC3	2311595	NZRUNSOGVQULQX-UHFFFAOYSA-N	377.466	2.313	0	3	GEAF	
O=C(N[C@@H]1CCCc2ccccc21)[C@@H]1CCCN(S(=O)(=O)c2c[nH]cn2)C1	13131479	LFTBGYFGPXVSSC-NVXWUHKLSA-N	388.493	2.004	0	3	GEAF	
O=C(COC(=O)[C@H]1[C@@H]2C[C@@H]3OC(=O)[C@@H]1[C@@H]3C2)Nc1ccc(Br)cc1	13517069	UJEBGXJCXKZLFL-QZVLQWBNSA-N	394.221	2.128	0	1	GEAF	
NCC(=O)Nc1ccc(Oc2ccc(S(=O)(=O)C[C@@H]3CS3)cc2)cc1	72125930	SSPSTNTXKUWFJP-HNNXBMFYSA-N	378.475	2.265	0	1	GEAF	
CCOC(=O)C(=O)N(Cc1ccccc1)c1ccc2c(c1)O[C@](C)(CO)CN2C	95565912	LRNPRVCTQIIDHJ-QFIPXVFZSA-N	398.459	2.363	0	1	GEAF	
COc1ccccc1-c1ccc([C@H]2[C@@H](CO)N(C(C)=O)C23CN(C(C)=O)C3)cc1	95794182	FIBBXZRMTLYBLV-IRLDBZIGSA-N	394.471	2.270	0	1	GEAF	
O=C(NC1[C@H]2CC3C[C@@H]1CC(O)(C3)C2)c1sc(OCCO)nc1C1CC1	98208500	NJXRHIKVLFLBME-MDRSJSDFSA-N	378.494	2.061	0	1	GEAF	in-vitro
COc1cccc(C[C@@H]2NC(=O)N(c3cnn(Cc4c(C)noc4C)c3)C2=O)c1	115732474	OVZSNHSWQRRGEI-SFHVURJKSA-N	395.419	2.212	0	1	GEAF	
CC(C)c1ccc(NC(=O)C[C@@H]2C(=O)OC(C)(C)CN2S(C)(=O)=O)cc1	145059900	SFVGVDLWHIURDE-OAHLLOKOSA-N	382.482	2.104	0	1	GEAF	
CN1C[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@@]12C(=O)Nc1ccc(Cl)cc12	169356702	LUNLEWAMTYKVKX-OWZDWXTDSA-N	399.809	2.378	0	1	GEAF	
COC(=O)C(=O)C[C@]1(c2cnn(C)c2)CC(=O)c2ccc3c(c2O1)CCCC3	587517636	RNAHOPUGWFHBCT-NRFANRHFSA-N	382.416	2.292	0	1	GEAF	
C[C@@H]1CC(=O)N([C@H](C)C(=O)N2CCN(c3ccccc3C(F)(F)F)CC2)C1=O	653780449	HICBEGXBNDGOAY-CHWSQXEVSA-N	397.397	2.138	0	1	GEAF	
CCOC(=O)CCC[C@]1(C(=O)OCC)NCCc2ccc(C(=O)N(C)C)cc21	962931537	NXCIEHMAZQIXPJ-NRFANRHFSA-N	390.480	2.026	0	1	GEAF	
COc1ccc(C2CN(C(=O)C[C@@H]3CCN(C#N)C3)C2)cc1-c1ccnn1C	1857547010	HUYIBNKTKQMJBQ-HNNXBMFYSA-N	379.464	2.215	0	1	GEAF	
CC(C)(C)CCN1CC2(C1)CN(C(=O)c1ccccc1F)C[C@H]1COCCN12	2356289389	VAGDNYTUVFUEOC-KRWDZBQOSA-N	389.515	2.473	0	1	GEAF	
Cc1c(C(=O)NC(C)C)sc2ncn(CC(=O)N3CCC(C)CC3)c(=O)c12	2922632	RBMKXSQETAIUFJ-UHFFFAOYSA-N	390.509	2.163	0	3	GEAF	
O=C(NCCc1nnc2ccc(NCc3cccnc3)nn12)c1ccccc1F	4272449	CABUAXBJHCVLEM-UHFFFAOYSA-N	391.410	2.243	0	3	GEAF	
COCCNC(=O)[C@@]1(C)CCCN(Cc2noc(-c3ccccc3OC)n2)C1	61906835	MCTZYYJXORBPBI-FQEVSTJZSA-N	388.468	2.110	0	3	GEAF	
CCC(=O)N1CCc2cc(S(=O)(=O)NCCN3CCCC[C@H]3C)ccc21	4969227	OUMVNHLZZIYJRN-OAHLLOKOSA-N	379.526	2.138	0	1	GEAF	
CCCN(CCCC[C@H](NC(C)=O)C(=O)NCc1ccccc1)C(=O)NC	5784909	PGEYDFDYTWAVDU-SFHVURJKSA-N	376.501	2.029	0	1	GEAF	
COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4ccccc4c3=O)C[C@@H]21	13863028	QYTLWWWPYDZRAG-HNAYVOBHSA-N	391.471	2.360	0	1	GEAF	
Cc1nc2sc([C@@H](c3ccc(F)cc3)N3CCC(C(N)=O)CC3)c(O)n2n1	23157481	GWBKIPXQMANPPP-CQSZACIVSA-N	389.456	2.231	0	1	GEAF	
C[C@@H]1CN(c2c(F)cc3c(=O)c(C(=O)O)cn([C@H]4C[C@@H]4F)c3c2F)CCN1	27096072	ZKANFWGDCSTQRW-WLTAIBSBSA-N	381.354	2.059	0	1	GEAF	
CN1CCN(c2cc(C(=O)NCc3cccc(C(F)(F)F)c3)ncn2)CC1	73157452	FEWLPVAMUXXYFF-UHFFFAOYSA-N	379.386	2.177	0	1	GEAF	
C=CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3cccc(C)n3)CC2)cc1	84731050	KFEJNIOLFTZKGK-UHFFFAOYSA-N	386.477	2.025	0	1	GEAF	
O=C1OCc2cc(CCN3CCN(CCc4ccc5nonc5c4)CC3)ccc21	95563530	IGWJOSUHQHWZMO-UHFFFAOYSA-N	392.459	2.296	0	1	GEAF	
O=C(NC[C@H]1N[C@H](CO)[C@@H]1c1ccc(-c2cncnc2)cc1)c1ccccc1F	95871914	KBXFBYRCNCTQIV-NJDAHSKKSA-N	392.434	2.129	0	1	GEAF	
O=C(NC1[C@@H]2CC3C[C@@H]1CC(O)(C3)C2)c1cnc(N[C@@H]2CCOC2)nc1C1CC1	101584649	DFVVWZTUNUJGGE-RLFHUDLPSA-N	398.507	2.224	0	1	GEAF	
NC(=O)N1CCCc2cc(-c3cncc(CNC(=O)[C@@H]4CC4(F)F)c3)cnc21	1772634160	QSOWEQLRRNYYDB-HNNXBMFYSA-N	387.390	2.246	0	1	GEAF	
O=C1N[C@@H](C(=O)O)CCc2cn(cn2)CC=CCOc2ccc(Cl)c1c2	1857626690	ZFSWEKWDTCABOA-MRXNPFEDSA-N	375.812	2.301	0	1	GEAF	
CCCCS(=O)(=O)NC(=O)[C@@]1(C)CCN1C(=O)C/C=C/c1ccccc1	61908356	XPSDBHQAXUGBIZ-UFUQCMIWSA-N	378.494	2.327	0	3	GEAF	
O=c1c(-c2ccccc2)nc2cnc(N3CCNCC3)nc2n1-c1ccccc1	4238718	SXYDLXZQMWWKQG-UHFFFAOYSA-N	384.443	2.252	0	1	GEAF	
CCN1C[C@H](CNC2CCN(c3cccc(NC(=O)C4CC4)c3)CC2)CC1=O	11913697	OUMAMSVYPVDFNK-INIZCTEOSA-N	384.524	2.462	0	1	GEAF	
COc1ccc(C(=O)NCCN2Cc3cc(C)ccc3O[C@H](C)C2)c(OC)n1	12047471	PLCPPCFDVSOWKS-OAHLLOKOSA-N	385.464	2.420	0	1	GEAF	
CCO[C@@H]1C=C2[C@H](O)CN3CCCc4cc(OC)c(OC)cc4[C@@]23C[C@@H]1OC	13384977	ORFUDMRKUQKEOM-GFRNBQLOSA-N	389.492	2.272	0	1	GEAF	biogenic
COc1ccc(C(=O)Nc2ccccc2NC(=O)[C@H]2CCCN(C(=N)N)C2)cc1	13558006	VPPQEUFZQMBOCU-HNNXBMFYSA-N	395.463	2.491	0	1	GEAF	
Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1C=C[C@@H](NC(=O)COCC(=O)O)C1	15673926	QHWIUBXYLXSOLX-QZTJIDSGSA-N	383.448	2.178	0	1	GEAF	biogenic
O=C([C@H]1CC12CCN(C1CCOCC1)CC2)N1CCN(C2CCCC2)CC1	43202372	ALQZUQZQVVJRCB-HXUWFJFHSA-N	375.557	2.354	0	1	GEAF	
CC(C)[C@@](C)(O)[C@@H]1CN(c2ccc(F)c(-c3n[nH]c4ncccc34)n2)CCN1	95585317	PDSONWYECZHBAE-MGPUTAFESA-N	384.459	2.344	0	1	GEAF	
CC(=O)NCCOc1ccc2c(C#N)cn(-c3ccc(C(=O)O)c(O)c3)c2c1	113276958	UMLYHGOYMFSKTE-UHFFFAOYSA-N	379.372	2.421	0	1	GEAF	
COc1ccc(-c2ccc3ncc(C(=O)NC[C@H]4CCCO4)c(=O)n3c2)cc1	169313152	KQLJMXRGIQGNGU-QGZVFWFLSA-N	379.416	2.279	0	1	GEAF	
Cc1cc(Nc2nc(C(=O)N3CCN[C@H](C)C3)nc3ccc(Cl)cc23)n[nH]1	1772656781	WQTMYTFWTYPJST-LLVKDONJSA-N	385.859	2.492	0	1	GEAF	
COC(=O)COc1ccc(C(=O)Cn2c(NCCCO)nc3ccccc32)cc1	5386619	HUXFERPJNNZRHK-UHFFFAOYSA-N	397.431	2.265	0	3	GEAF	
Cc1ccccc1S(=O)(=O)NC(=O)[C@@]1(C)CCN1C(=O)Cc1cccs1	61908069	DEFNPIBXZYVKEE-GOSISDBHSA-N	392.502	2.095	0	3	GEAF	
O=C(NCc1ccccc1Cl)[C@@H]1CCCN(S(=O)(=O)c2cccnc2)C1	4919401	NLGPJLFKHVETFV-OAHLLOKOSA-N	393.896	2.452	0	1	GEAF	
Cc1cc(=O)c2c(O)c3c(c([C@@H](O)[C@@H](O)C(C)(C)O)c2o1)OC(C)(C)C=C3	14511593	YRDMYIZMXKJVCI-CRAIPNDOSA-N	376.405	2.156	0	1	GEAF	
CC1(C)S[C@H]2[C@H](NC(=O)NCc3ccc4ccccc4c3)C(=O)N2[C@H]1C(=O)O	28253899	BRAVKTFEGFSEHZ-VYDXJSESSA-N	399.472	2.155	0	1	GEAF	
NCc1ccc(N[C@@H](C[P@](=O)(O)[C@@H](N)CCc2ccccc2)C(=O)O)cc1	28652402	SEVVAYQNZXCWLX-ZWKOTPCHSA-N	391.408	2.198	0	1	GEAF	
C[C@@H]1C(=O)NCCN1C1=C(Cl)C(=O)N(c2ccc(Cl)c(Cl)c2)C1=O	64527290	LAJCAHFPXAHWMM-SSDOTTSWSA-N	388.638	2.137	0	1	GEAF	
Nc1nc(N)c2c(CCc3ccc(C(=O)NCc4cccnc4)cc3)c[nH]c2n1	72108158	QCFHIVGPBSYQOI-UHFFFAOYSA-N	387.447	2.233	0	1	GEAF	
O=C1[C@H]2CSCN2C(=O)N1CCCCNC[C@@H]1CCc2ccccc2O1	73258842	APPZMJDNMFQDTM-JKSUJKDBSA-N	375.494	2.087	0	1	GEAF	
CCN(CC)C(=O)c1nc2nc(N3CCC[C@@H](C(=O)N4CCCC4)C3)ccc2[nH]1	221406487	BRULVXNPAPOWOM-OAHLLOKOSA-N	398.511	2.279	0	1	GEAF	
CCCCCC(=O)O[C@H]1C[C@](C)(O)[C@@H]2CC[C@](C)(/C=C3/OC(=O)C(CO)=C31)O2	238769460	MGPYQXSGMJBBSY-PXVJZRLVSA-N	394.464	2.301	0	1	GEAF	
CS(=O)(=O)N[C@H]1CC[C@H](Nc2nccc(-c3cnc4ccccn34)n2)CC1	261146270	NXXOMTBHZVIUJY-HDJSIYSDSA-N	386.481	2.064	0	1	GEAF	
N=c1[nH]cc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)nc-2[nH]1	586959876	LMTKJLXRXPCNOK-WQVCFCJDSA-N	398.492	2.412	0	1	GEAF	
CC[C@H](C)n1ncc(I)c1-c1nc2ncnc(N)c2[nH]1	587181592	WMMASIMMXCBCPX-LURJTMIESA-N	383.197	2.374	0	1	GEAF	
CC1=C(c2ccc3nc(CCNC(=O)Cc4ccccc4)[nH]c3c2)NNC(=O)C1	587228235	KNGQSCRSZJOWFC-UHFFFAOYSA-N	389.459	2.220	0	1	GEAF	
Cn1nccc1CNC(=O)c1csc(CCNCc2nc3ccccc3[nH]2)n1	1857619438	GKKUYUBXUZIZPB-UHFFFAOYSA-N	395.492	2.015	0	1	GEAF	
Cc1nccn1[C@@H]1[C@H]2OC[C@@H](O2)[C@H](NCc2ccc(Cl)c(Cl)c2)[C@@H]1O	2356455498	WDTPVGKHFOLDQN-XAJHFOFHSA-N	384.263	2.314	0	1	GEAF	
COc1ccc(C(=O)C(=O)N2CCN(C(=O)OCc3ccccc3)CC2)cc1	95601958	GIIQCFYYUOJMOS-UHFFFAOYSA-N	382.416	2.359	0	3	GEAF	
Cc1ccc(-n2nc3c(=O)n(CC(=O)NCc4ccco4)nc(C)c3c2C)cc1	6944532	NVBYJBHTLYKSTQ-UHFFFAOYSA-N	391.431	2.417	0	1	GEAF	
CN[C@H](C(=O)N[C@H](C(=O)N[C@H](/C=C(\C)C(=O)O)C(C)C)C(C)(C)C)C(C)(C)C	40849106	BWYHDYROWKXLCN-CBPRKPJGSA-N	397.560	2.323	0	1	GEAF	
CC(C)c1cn(CC[C@@H]2CC[C@@H](NC(=O)C3CCCCC3)[C@H](CO)O2)nn1	95904414	IVOJAZGHNQZOGY-SCTDSRPQSA-N	378.517	2.397	0	1	GEAF	
O=C1[C@H]2C=C(I)[C@@H](C[C@@H]2OCCCCO)[C@]12CCCO2	101614800	ZCCAXLPFLIOJJV-YODMDTAWSA-N	392.233	2.231	0	1	GEAF	
Cc1ccc2c(c1)C(=O)C(=O)N2CCn1cc(COc2ccc(C=O)cc2)nn1	103265208	MHJHPPBPUZOFHT-UHFFFAOYSA-N	390.399	2.208	0	1	GEAF	
COc1ncc(-c2cc3c(C)nc(N)nc3n([C@H]3CC[C@H](O)CC3)c2=O)cc1F	116014375	LDXQKPQUJDNPMM-BETUJISGSA-N	399.426	2.368	0	1	GEAF	
CCOC(=O)Cc1ccc2nc(CCc3ccc(S(N)(=O)=O)cc3)[nH]c2c1	586930042	MUGRCQQWWURXTQ-UHFFFAOYSA-N	387.461	2.101	0	1	GEAF	
N[C@H](Cc1cccc(Br)c1)c1nc2cccc(S(N)(=O)=O)c2[nH]1	586983614	GDMWLPMMOXHVKV-LLVKDONJSA-N	395.282	2.215	0	1	GEAF	
NS(=O)(=O)c1ccc2nc(CCCC(=O)c3ccc(Cl)cn3)[nH]c2c1	587080937	HZCRCHCUZRIAFD-UHFFFAOYSA-N	378.841	2.464	0	1	GEAF	
Cc1ccc(S(=O)(=O)n2cccc2-c2ccc3c(O)nc(O)nc3n2)cc1	587562447	ATEZTZIFPVNCHG-UHFFFAOYSA-N	382.401	2.450	0	1	GEAF	
Cc1ccc(Nc2ncncc2[C@H](O)C2CCN(S(C)(=O)=O)CC2)cc1	1772640823	BFABGZAJXQTMET-QGZVFWFLSA-N	376.482	2.234	0	1	GEAF	
CN(CCc1ccccn1)C[C@@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)c1ccco1	2356742141	VZVBPKHDCHCPJY-NLWGTHIKSA-N	382.508	2.289	0	1	GEAF	
O=C(COc1nc2ccccc2nc1N1CCOCC1)N1CCc2ccccc21	2626549	QLQWYUWYGRUBRR-UHFFFAOYSA-N	390.443	2.435	0	3	GEAF	
CCCNC(=O)c1cc([C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)on1	61928487	HBMSMHZNBFBJKW-CQSZACIVSA-N	377.466	2.383	0	3	GEAF	
C[C@H](CO)Nc1nc(SCc2cccc(F)c2F)nc2[nH]c(=O)cnc12	591799	LTHIETOWBQBYAF-MRVPVSSYSA-N	379.392	2.076	0	1	GEAF	
CCCN1C[C@@H](NS(=O)(=O)N(CC)CC)C[C@H]2Cc3c(O)cccc3C[C@@H]21	5647776	GDFGTRDCCWFXTG-LNLFQRSKSA-N	395.569	2.136	0	1	GEAF	in-vivo
Cc1ccsc1CCNS(=O)(=O)c1cc(Br)cnc1N	20467723	WDBANNUHIWUPDH-UHFFFAOYSA-N	376.301	2.317	0	1	GEAF	
COCC[C@H](CC1(C(=O)NC2(CO)Cc3ccccc3C2)CCCC1)C(=O)O	28639888	GQXPQLZHUYKTKG-GOSISDBHSA-N	389.492	2.320	0	1	GEAF	
Cn1cc(-c2cnn3c(N)c(Br)c(C[C@@H]4CCCNC4)nc23)cn1	66111831	KGHAUCVQULTIQE-JTQLQIEISA-N	390.289	2.017	0	1	GEAF	
CCc1c(-c2ccc(N3C[C@@H]4CCCN[C@@H]4C3)cc2)[nH]c(=O)c(C(=O)O)c1O	145399118	CHFQWHJSGYEFBZ-XJKSGUPXSA-N	383.448	2.196	0	1	GEAF	
Nc1cnc(-c2ccc(C3CCC3)c(OC[C@H](O)Cn3nccn3)c2F)cn1	224552218	WCIZEPVQMMHYJI-CYBMUJFWSA-N	384.415	2.164	0	1	GEAF	
COC(=O)c1cc2nc([C@H](CC(=O)O)NC(=O)OCc3ccccc3)[nH]c2cn1	587204552	ZTDFCNRDAJRLNR-ZDUSSCGKSA-N	398.375	2.187	0	1	GEAF	
Cn1cc(-c2ccc(Cc3n[nH]c4ccc(C(=O)N5CC(O)C5)cc34)cc2)cn1	653737500	OMIZKYBIVWGYBC-UHFFFAOYSA-N	387.443	2.371	0	1	GEAF	
C=CC(=O)N1CC[C@@H](Cn2cc(-c3ccc4c(c3)OCO4)c3c(N)ncnc32)C1	1772633798	BONZFIPGHADSTF-CYBMUJFWSA-N	391.431	2.444	0	1	GEAF	
N[C@H](Cc1nc2c(Cl)cc(Cl)cc2cc1CP(=O)(O)O)C(=O)O	29398539	WQGUVWSFEVRHNF-SNVBAGLBSA-N	379.136	2.174	0	1	GEAF	
O=CN(O)C[C@@H](CC1CCCC1)C(=O)N1CCCCN1C(=O)c1ccco1	33983944	JRYQKZXZOCQMFT-MRXNPFEDSA-N	377.441	2.303	0	1	GEAF	
O=C(O)CCC(=O)N1CCC(CNC(=O)NC23CC4CC(CC(C4)C2)C3)CC1	36330653	CQPDXZDDEDTFIO-UHFFFAOYSA-N	391.512	2.358	0	1	GEAF	
c1ccc(Nc2nc(N3CCNCC3)nc3c(NCC4CC4)ncnc23)cc1	84633294	DQDGEUIZQDZJNE-UHFFFAOYSA-N	376.468	2.395	0	1	GEAF	
COc1cccc(Nc2nnc(C(=O)Nc3ccc(N4CCOCC4)nc3)o2)c1	84709899	RGBYOBYZQMONMB-UHFFFAOYSA-N	396.407	2.306	0	1	GEAF	
Cc1nc(N)nc(-c2c(Nc3ccn(C)n3)nc3ccc(-c4cncnc4)cn23)n1	95557289	TUWJPVMJCJKZBV-UHFFFAOYSA-N	399.422	2.011	0	1	GEAF	
CCCN1[C@@H]2c3cccc(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)N[C@@H](C)c1ccccc1	95796963	ZESUQDBSRMXGBY-BULJTUNSSA-N	395.503	2.099	0	1	GEAF	
C/C=C/c1ccc([C@@H]2[C@@H](CNC(C)=O)N(C(=O)Cc3cccnc3)[C@H]2CO)cc1	95895012	NGLDGHULOYFZMR-YRJNGUNKSA-N	393.487	2.149	0	1	GEAF	
O=C(Cc1cccnc1)N1[C@H](CO)[C@H](c2ccccc2)[C@H]1CNCC1CCC1	95895775	SGKWCGWZPXXLRV-MQSCRBSSSA-N	379.504	2.369	0	1	GEAF	
CCN(C[C@@H]1[C@@H](c2ccc(-c3cccnc3)cc2)[C@@H](CO)N1C(C)=O)C(C)=O	95895922	AHPRIPWQPCWYIR-YPAWHYETSA-N	381.476	2.292	0	1	GEAF	
COCCCOc1cc([C@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)ccc1C	221692815	RBBRALYPLIXTKS-OXJNMPFZSA-N	376.497	2.451	0	1	GEAF	
COC(=O)c1cc2nc(-c3cc(S(=O)(=O)NC(C)C)c[nH]3)[nH]c2cc1OC	586936222	OCFIFWBMRSLVSR-UHFFFAOYSA-N	392.437	2.040	0	1	GEAF	
C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2ccc(Br)cc2[nH]1	586938416	JMDAVWHAQATDBX-MRVPVSSYSA-N	384.259	2.098	0	1	GEAF	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C)nn([C@H]3CCS(=O)(=O)C3)c1C)O2	587408841	DSSAWOBTLIAYLT-GUYCJALGSA-N	389.477	2.457	0	1	GEAF	
CC[C@H](C(=O)N1CCN(c2cccc(Cl)c2)CC1)N1C(=O)C[C@@H](C)C1=O	653788962	KPLLWJAAXAZXAD-CZUORRHYSA-N	377.872	2.162	0	1	GEAF	
COc1cc(/C=C/c2nc3cc(Cl)cnc3n(CC(=O)O)c2=O)ccc1O	1772587012	DKQLHEXNZJUSPQ-DUXPYHPUSA-N	387.779	2.414	0	1	GEAF	
COC(=O)c1ccc2c(c1)nc1n2[C@H](CNCc2cccc(OC)n2)COC1	2356320371	BWTVKIABXAQSHE-OAHLLOKOSA-N	382.420	2.088	0	1	GEAF	
COc1ccc(-c2coc3cc(O)c(OS(=O)(=O)O)c(O)c3c2=O)cc1	2356330792	VEKAJAYERMXDPV-UHFFFAOYSA-N	380.330	2.061	0	1	GEAF	
CC(C)c1ccc(NC(=O)Nc2nnc([C@@H]3C[C@H](O)[C@@H](CO)O3)s2)cc1	61927133	BEZFUODGDDRYBH-MELADBBJSA-N	378.454	2.489	0	3	GEAF	
COc1cccc(N2CCN(C(=O)CSc3nc4ncccc4[nH]3)CC2)c1	201446459	AHOLJVGQXNQANQ-UHFFFAOYSA-N	383.477	2.407	0	3	GEAF	
CC(=O)N[C@@H](CSC(=O)c1ccccc1)C(=O)NCCSC(=O)C(C)C	29476019	AGXBBDSMBSWKJJ-HNNXBMFYSA-N	396.534	2.097	0	1	GEAF	
COC[C@@H]1CCCN1CCCOc1ccc(C(=O)CN2CCOCC2)cc1	73278794	NXDIBXSCMJUVAU-IBGZPJMESA-N	376.497	2.081	0	1	GEAF	
Cc1nc(N)nc(-c2c(Nc3cc[nH]n3)nc3ccc(-c4cncnc4C)cn23)n1	95554235	FEKALHVHQQPGPI-UHFFFAOYSA-N	399.422	2.309	0	1	GEAF	
COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(CC1CC1)CC31CN(C(C)=O)C1	95865854	HRXJWPVAPYVVKN-LJQANCHMSA-N	383.492	2.046	0	1	GEAF	
COCC(=O)NC[C@H]1[C@H](c2ccc(C3=CCCC3)cc2)[C@@H](CO)N1C(=O)C1CC1	95895878	QFILKHAMRPHMJJ-VWPQPMDRSA-N	398.503	2.082	0	1	GEAF	
COC(=O)C1=C[C@@H]2C3=C(NCCCCN)c4ccccc4N(C)C3=N[C@H]2C=C1	103164709	JPHFRVUXYGIDJY-IRXDYDNUSA-N	378.476	2.242	0	1	GEAF	
Nc1ncnn2c([C@H](O)C3CCOCC3)cc(-c3cc(F)c(CO)c(F)c3)c12	205817616	RVVSXCANBGCJEO-GOSISDBHSA-N	390.390	2.209	0	1	GEAF	
Cn1nccc1-c1cccc(C(=O)NC[C@H](O)CN2CCc3ccccc3C2)c1	220171432	XDBXWOBBDTXNKD-NRFANRHFSA-N	390.487	2.236	0	1	GEAF	
CN(c1ncnc2[nH]ccc12)[C@H]1C[C@@H](CS(=O)(=O)N2CCC(F)(F)CC2)C1	261130152	KZSUFPIJESVIGH-BETUJISGSA-N	399.467	2.234	0	1	GEAF	
Cn1nccc1CS(=O)(=O)Cc1nc2cc(F)cc(Br)c2[nH]1	586923857	YSZBHPSGUQQTLW-UHFFFAOYSA-N	387.234	2.313	0	1	GEAF	
O=S(=O)(N[C@H](c1ccccc1)c1nc2cnnc(O)c2[nH]1)c1ccc(F)cc1	587170781	SHHPFQJDUFYTED-OAHLLOKOSA-N	399.407	2.266	0	1	GEAF	
CC(=O)N1CCN(c2cccc(-c3cc(C)c4c(N)ncnn34)c2)C(=O)C1(C)C	1772572379	XKVDLXODTQCHOA-UHFFFAOYSA-N	392.463	2.261	0	1	GEAF	
O=C(c1ccc(-c2nn[nH]n2)cc1)N1CCc2nc(-c3ccccc3)nc(O)c2C1	1857562165	FWFFFZIQDUTJHL-UHFFFAOYSA-N	399.414	2.228	0	1	GEAF	
C[C@@]1(C(=O)NS(=O)(=O)c2cccc(F)c2)CCN1C(=O)C1CCCCC1	61903782	FQXVSXYNFHKLDB-SFHVURJKSA-N	382.457	2.202	0	3	GEAF	
COc1ccc(NC(=O)CN2C(=O)CCn3nc(-c4cccn4C)cc32)cc1	8609445	HEXJRWRQBGJXKD-UHFFFAOYSA-N	379.420	2.273	0	1	GEAF	
O=C(O)c1ccccc1NC(=O)N1CCN(c2cnc3ccc(O)cc3n2)CC1	28969671	FLFQCGDJGCNVJG-UHFFFAOYSA-N	393.403	2.388	0	1	GEAF	
Cc1cc(-n2cc(NC(N)=O)c(C(N)=O)n2)ccc1-c1c(F)cc(O)cc1F	29057218	GMTYZITWVVOKMY-UHFFFAOYSA-N	387.346	2.421	0	1	GEAF	
Cc1ccccc1-c1nc(C(=O)N[C@@H](C)C(=O)NCCCN2CCCC2)co1	82070667	WOFRKQRLOOQTBX-INIZCTEOSA-N	384.480	2.370	0	1	GEAF	
CO[C@@H]1CCC[C@H]([C@H](C)Nc2nc(N3CCC(C(N)=O)CC3)ncc2C)C1	82203970	RDIGOLSUIFLSDB-BHYGNILZSA-N	375.517	2.492	0	1	GEAF	
COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C)CC31CCN(C(=O)C2CC2)CC1	95796128	YIFXTKLKXJVQNO-GOSISDBHSA-N	383.492	2.426	0	1	GEAF	
O=C([C@@H]1CC12CCN(C1CCOCC1)CC2)N1CCN(c2ccncc2)CC1	103244096	XPRNBTJMAWYDGA-FQEVSTJZSA-N	384.524	2.011	0	1	GEAF	
CO[C@H]1CCS(=O)(=O)N(C[C@@H](O)Cn2c3ccccc3c3ccccc32)C1	148602483	BKNAJIHNTCWIDD-CVEARBPZSA-N	388.489	2.206	0	1	GEAF	
C[C@H](O)c1ccc(S(=O)(=O)N2CCN(CCc3ccncc3)C[C@H]2C)cc1	169293901	ABCLLSIJJSYZCJ-SJORKVTESA-N	389.521	2.072	0	1	GEAF	
CCOP(=O)(OCC)[C@@H]1N=C[C@H]2C(=O)N(c3ccc(OC)cc3)C(=O)[C@H]21	205675192	RCUIZXHMVBJQPJ-KFWWJZLASA-N	380.337	2.477	0	1	GEAF	
COc1cc2c3c(c1)O[C@@]1(C[C@@H]4CC[C@@]1(CS(N)(=O)=O)C4(C)C)[C@@H](C2)C3=O	587447507	ATSAEDMETCCPIV-MGFDPJTISA-N	391.489	2.296	0	1	GEAF	
CN(C(=O)CCSc1nc2cc(F)ccc2o1)C1CCS(=O)(=O)CC1	1857614989	FFMPSVRHNICFDJ-UHFFFAOYSA-N	386.470	2.485	0	1	GEAF	
O=C(Nc1ccc(F)c(F)c1)c1cccc(S(=O)(=O)N[C@H]2CCOC2)c1	1857630913	CAWANTHHDOWCQB-ZDUSSCGKSA-N	382.388	2.284	0	1	GEAF	
COc1cc2c(cc1OC)[C@@]13CCN4CC(=CCO)[C@@H](C[C@H]41)C1=CCC(=O)N2[C@H]13	2356619895	XTGYWZXUYFAABL-BBFBFANZSA-N	394.471	2.013	0	1	GEAF	
Cn1cnnc1SCC(=O)N[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1	15062373	PASQABFEWAPNQO-OAHLLOKOSA-N	379.917	2.341	0	3	GEAF	
O=C1NCCN(CC2CCN(CCc3ccc(Cl)c(Cl)c3)CC2)C1=O	61936153	MDCLAJNTQAARQP-UHFFFAOYSA-N	384.307	2.206	0	3	GEAF	
CC(C)(C)OC(=O)c1ncn2c1CN(C(=O)N1CCNCC1)c1ccccc1-2	13795907	KQVZXNIYADSFGU-UHFFFAOYSA-N	383.452	2.173	0	1	GEAF	
NC(=O)CCC(=O)N1CC[C@@H](C2CCN(Cc3cccc(F)c3F)CC2)C1	14950036	CRFQPLMQPXPOOE-OAHLLOKOSA-N	379.451	2.291	0	1	GEAF	
CC1CCN(C(=O)c2ccc3c(c2)NC(=O)[C@@H](N2CCOCC2)S3)CC1	20724343	OHWZUKOQAJNDIH-IBGZPJMESA-N	375.494	2.261	0	1	GEAF	
CC1(C)S[C@H]2[C@@H](NC(=O)NCc3ccc4ccccc4c3)C(=O)N2[C@H]1C(=O)O	28253887	BRAVKTFEGFSEHZ-ZOBUZTSGSA-N	399.472	2.155	0	1	GEAF	
CCc1nnc2ccc(N3CC[C@H](c4cc(F)c(F)cc4F)[C@@H](N)C3)nn12	28707368	LMUNLVNILIAURR-BMIGLBTASA-N	376.386	2.425	0	1	GEAF	
C[C@@H](Cn1cc(Cl)cn1)n1cnc2cc3c(cc2c1=O)O[C@H]1CCCN1C3=O	72127920	GAKVZVWHPFLZKE-GTNSWQLSSA-N	399.838	2.462	0	1	GEAF	
COc1ccc(C2(c3ccc(OC)cc3)NC(=N)N(C3CCNCC3)C2=O)cc1	103243754	QJNWMBPHFFQJHB-UHFFFAOYSA-N	394.475	2.066	0	1	GEAF	
NC(=O)c1sc(N2CCOCC2)nc1CC(=O)Nc1ccc(F)c(Cl)c1	103243880	HGGYCOCAUBJWPZ-UHFFFAOYSA-N	398.847	2.052	0	1	GEAF	
CCN(CC)CC(=O)N1CC[C@@]23C=C[C@H](O)C[C@@H]2Oc2c(OC)ccc(c23)C1	141830728	PLKCZZAHZDDIIU-ZJBJCVSYSA-N	386.492	2.089	0	1	GEAF	
CNC(=O)[C@@H](NC(=O)c1cc(OCC(F)(F)F)c(C2CC2)cn1)C(C)(C)F	146605182	ZECUDEIGGOHWPV-CYBMUJFWSA-N	391.365	2.493	0	1	GEAF	
CNS(=O)(=O)N1CCC(c2nc3cc(C)cc(Br)c3[nH]2)CC1	586954132	BCZSPRJSDDMYIT-UHFFFAOYSA-N	387.303	2.277	0	1	GEAF	
COC(=O)CC[C@H](N)c1nc2c(Br)cnc(Br)c2[nH]1	587258258	DAOAACKSUXPLJE-LURJTMIESA-N	392.051	2.436	0	1	GEAF	
N#CN1CC[C@@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)OCc2ccccc2)C1	621431447	IHGOJDDZBIEQDF-WOJBJXKFSA-N	392.459	2.196	0	1	GEAF	
O=C(O)[C@H]1Cc2cccc(OC(F)(F)F)c2[C@H](c2cncc3c2NCCO3)N1	962628741	FRWHVPOUHWDXIE-BZNIZROVSA-N	395.337	2.473	0	1	GEAF	
N=C(N)NC(=N)SCCCOc1ccc(I)cc1	1772644229	DJOVSGKGTFYAMU-UHFFFAOYSA-N	378.239	2.211	0	1	GEAF	
COc1ccc(C2=NN(C(C)C)C(=O)[C@@H]3CC=CC[C@H]23)cc1N1CC(C(N)=O)C1	1857595676	BUPDVKKSXYCZGX-DLBZAZTESA-N	396.491	2.154	0	1	GEAF	
COc1ncc(-c2cc3c(C)[nH]c(=N)nc3s2)cc1NS(=O)(=O)C1CC1	1857755866	VTEMJWZRTCUZNF-UHFFFAOYSA-N	391.478	2.387	0	1	GEAF	
OCCn1cc(Nc2ncc(Cl)c(=NCc3cc(F)ccc3F)[nH]2)cn1	1911575740	NROLQUCDBSGNQD-UHFFFAOYSA-N	380.786	2.375	0	1	GEAF	
CCCn1c(=O)c2[nH]c(-c3ccc(/C=C\C(=O)O)cc3)nc2n(CCC)c1=O	14953316	UGCOFEOEBHUEHA-YFHOEESVSA-N	382.420	2.471	0	1	GEAF	in-vitro
CC(C)C[C@H](NC(=O)c1ccco1)C(=O)N[C@@H](CC1CCCCC1)C(N)=O	64528423	IZTZUMKMFFRBOX-HOTGVXAUSA-N	377.485	2.365	0	1	GEAF	
CCOc1ccccc1-c1nc(C(=O)N[C@@H](C(=O)OCCN)C(C)C)cs1	82070214	QTGNYAVSDGOYHQ-MRXNPFEDSA-N	391.493	2.465	0	1	GEAF	
O=C(c1cccnc1)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2C(=O)CC1CC1	95666806	XDZPGROQMOVQGA-TZIWHRDSSA-N	391.471	2.063	0	1	GEAF	
C/C=C/c1ccc([C@@H]2[C@@H](CNC(=O)c3ccncc3)N(C(C)=O)[C@H]2CO)cc1	95895068	WPDUKSWRCNVHDG-OCVRTMJMSA-N	379.460	2.220	0	1	GEAF	
N[C@H](C(=O)N1C[C@@H](F)[C@H](F)C1)[C@H]1CC[C@H](NC(=O)OCc2ccccc2)CC1	100988867	PKKRAIPZCYLNRN-ILOCAZANSA-N	395.450	2.317	0	1	GEAF	
CC(=O)N1CCN(C(=O)Cn2c(-c3ccc(Cl)cc3)csc2=N)CC1	101703884	PIDHTUREIXPEFO-UHFFFAOYSA-N	378.885	2.040	0	1	GEAF	
COc1cccc(-n2ncc(C(=O)Nc3ccc([C@H]4CNCCO4)cc3)n2)c1	146979335	HDPGXDSJXILGHR-LJQANCHMSA-N	379.420	2.189	0	1	GEAF	
Nc1ccc(/C=C\c2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)cc1	587251470	FLYXVFQGHYLHPW-BAQGIRSFSA-N	384.461	2.336	0	1	GEAF	
CC1=C[C@]2(CC(=O)N1CC(=O)O)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1	587583856	VJGSWIPFAZVGDM-GHTZIAJQSA-N	395.367	2.313	0	1	GEAF	
CCOC(=O)CCC[C@@]1(CC(=O)OCC)N[C@H](C(=O)O)Cc2cccc(F)c21	962916327	CTBQGXHCHGTSAK-YWZLYKJASA-N	395.427	2.307	0	1	GEAF	
Cc1ccnc2c1CCN[C@@H]2[C@H]1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1	963069494	NAINMHSJJPQVGL-MAUKXSAKSA-N	388.512	2.340	0	1	GEAF	
COc1ccc(OC)c2c1C[C@H](C)N[C@@]2(C)c1ccc(-[n+]2cc(=O)o[nH]2)cc1	963636472	RBJVPRYJQKHEMP-ZSEKCTLFSA-O	382.440	2.060	0	1	GEAF	
O=C(NCc1cccnn1)c1csc(CCNCc2nc3ccccc3[nH]2)n1	1857588715	XNUCXRCFWLMDFG-UHFFFAOYSA-N	393.476	2.072	0	1	GEAF	
COc1cc2c(cc1OC)C(=O)[C@H](C(=O)OC[C@@H]1C[N@]1Cc1ccccc1)C2	1857744126	CJCRSGVCWCGTRH-XAEMIUIASA-N	381.428	2.486	0	1	GEAF	
OC[C@@H]1[C@H](O)C[C@@H](NCC2CCOCC2)[C@@H]1Cc1ccnc(-c2ccccc2)n1	2356388315	ZZUUBSQRRVNHPW-CIAFKFPVSA-N	397.519	2.060	0	1	GEAF	
CCCC(=O)NC(C(=O)OCC)(C(=O)OCC)[C@@H](C)C(=O)c1ccccc1	26660001	IBOIPPRGPSLONZ-AWEZNQCLSA-N	377.437	2.287	0	1	GEAF	
CCS(=O)(=O)N1CCC(N[C@@H](c2cnccn2)c2ccc(F)cc2F)CC1	72101979	XBAYFWWNPZQFTL-GOSISDBHSA-N	396.463	2.248	0	1	GEAF	
OC[C@@H]1[C@H](O)[C@H](O)CCN1CCCCCOCC12CC3CC(CC(C3)C1)C2	84604259	VIZUYNYAIYKSCL-MQEFLYKHSA-N	381.557	2.178	0	1	GEAF	
Cc1ccccc1N1CCN(C[C@H](O)CN2CCc3ccccc3C2)C(=O)C1	209700253	TYEGFULLXHVKBI-OAQYLSRUSA-N	379.504	2.063	0	1	GEAF	
COC(=O)c1cc2[nH]c(CS(=O)(=O)NC3CCC(C)CC3)nc2cc1OC	586953262	QPDUOHQIWDEFHL-UHFFFAOYSA-N	395.481	2.356	0	1	GEAF	
Cc1cncc(-c2cnc3cnn(-c4cccc(N5CCCNCC5)n4)c3c2)n1	1772637008	PWDDNCBQYVPPFY-UHFFFAOYSA-N	386.463	2.381	0	1	GEAF	
COC(=O)[C@@H]1C[N@@]1[C@@H](CC(=O)OCc1ccccc1)C(=O)OCc1ccccc1	1857575158	VEQLIWRZBIPKMI-YDHSSHFGSA-N	397.427	2.089	0	1	GEAF	
O=c1cc(-n2cc(Cn3cnc4c(Cl)nc(F)nc43)nn2)c2ccccc2o1	1857576569	ZSLUADXDONWVOS-UHFFFAOYSA-N	397.757	2.354	0	1	GEAF	
CC(=O)Nc1ccc2nc(O)n([C@H]3CCN(C(=O)OC(C)(C)C)C3)c(=O)c2c1	1857595167	CSKPSRKMVJHQIG-ZDUSSCGKSA-N	388.424	2.242	0	1	GEAF	
O=C(c1cc(Cc2nnc(O)c3ccccc23)ccc1F)N1CC2(CNC2)C1	1857634129	PGEHQMBBDVCZBC-UHFFFAOYSA-N	378.407	2.111	0	1	GEAF	
CS(=O)(=O)c1ccc(CNC[C@@H]2COCc3nc4cc(F)ccc4n32)cc1	2356299139	YZCOMYNSISYWLW-OAHLLOKOSA-N	389.452	2.440	0	1	GEAF	
CCN(CC)S(=O)(=O)N1CCC(C(=O)N[C@@H]2CCCc3ccccc32)CC1	3045917	KAVRAJNLYAUVDZ-LJQANCHMSA-N	393.553	2.479	0	3	GEAF	
Cc1ccccc1S(=O)(=O)NC(=O)[C@@]1(C)CCN1C(=O)CC1CCCC1	61925758	FRRWISCVMODXNN-LJQANCHMSA-N	378.494	2.371	0	3	GEAF	
CC[C@@H](C)Sc1ccc([C@H]2N[C@@](C)(C(=O)OC)[C@H]3C(=O)N(C)C(=O)[C@@H]23)cc1	61959630	NQRCLWRXYMNFGB-HDCXRZRFSA-N	390.505	2.384	0	3	GEAF	
C[C@@]12C=C[C@@]3(CN(Cc4ccccc4)C(=O)[C@H]3[C@H]1C(=O)NCc1ccco1)O2	102777810	OWGQHWVHMOBBLL-KKXYHZGYSA-N	378.428	2.268	0	3	GEAF	
C[C@H]1CN(c2c(F)c(N)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)CCN1C	5930091	GDGYSVSPMGDVFQ-VIFPVBQESA-N	392.406	2.035	0	1	GEAF	
COc1cc2c(cc1OC)[C@]13CCN4C[C@H]5CCO[C@@H]6CC(=O)N2[C@@H]1[C@@H]6[C@H]5C[C@H]43	17328074	BETNIDISFVHOSJ-DESLKNPISA-N	396.487	2.190	0	1	GEAF	
Cc1c(O)c2[nH]c(CCCN3N=C(c4ccccc4)CCC3=O)nc2n(C)c1=O	26671533	RJNVZARENXWEPR-UHFFFAOYSA-N	393.447	2.235	0	1	GEAF	
COC(=O)[C@H](N)[C@H](O)c1c[nH]c(C(=O)CC(c2ccccc2)c2ccccc2)n1	28568543	JPFRYUMQTQBRTH-WOJBJXKFSA-N	393.443	2.348	0	1	GEAF	
COC(=O)c1nc(Sc2ccc(Cl)cc2)n(COCCOC(C)=O)n1	49047542	AXENEUFTWPPYSF-UHFFFAOYSA-N	385.829	2.407	0	1	GEAF	
CC[C@H]1Cn2c(c(NCc3ccccc3F)c(=O)n(Cc3ccncc3)c2=O)N1	82207510	SOVIORNJPIXYJT-INIZCTEOSA-N	395.438	2.409	0	1	GEAF	
COC(=O)C1=CO[C@@H](C)[C@@H]2CN3CC[C@@]4(C(=O)Nc5cccc(OC)c54)[C@@H]3C[C@H]12	85952754	JJULGHMVSNYSLR-LIWKYWMSSA-N	398.459	2.071	0	1	GEAF	
Cc1nn(CCN(C)CCO)c(C)c1CC(=O)NCc1ccc(F)cc1Cl	95566128	YWGGVPUSKOYJJM-UHFFFAOYSA-N	396.894	2.075	0	1	GEAF	
COc1cc(C2=C(c3c[nH]c4cnccc34)C(=O)NC2=O)cc(OC)c1OC	101579857	CHCLWGWWJCQQCV-UHFFFAOYSA-N	379.372	2.156	0	1	GEAF	
CC(C)NCc1cc2cc3c(cc2n1C)NCCc1c-3[nH]c(=O)c(C(=O)O)c1O	145028596	AOACZTFABDYIQH-UHFFFAOYSA-N	396.447	2.403	0	1	GEAF	
O=C(O)c1cc2c([nH]c3ccccc32)c(CCC(=O)N2CCC[C@H]2C(=O)O)n1	205943461	VSQKKTIEHWELDM-INIZCTEOSA-N	381.388	2.423	0	1	GEAF	
Cc1ccc([C@@H]2NCCn3c(-c4ccccc4)c4c(=O)n(C)c(=O)n(C)c4c32)o1	209525826	AAAHTJUBISKQEG-KRWDZBQOSA-N	390.443	2.300	0	1	GEAF	
CC1CCC(NS(=O)(=O)Cc2nc3ccc(C(=O)N(C)C)cc3[nH]2)CC1	586952616	JSFYXPSYELIJKP-UHFFFAOYSA-N	378.498	2.263	0	1	GEAF	
CCN(CC)S(=O)(=O)c1ccc2nc(-c3nc(Cl)cnc3N)[nH]c2c1	587088471	XFERSSYLCYHQAY-UHFFFAOYSA-N	380.861	2.286	0	1	GEAF	
CN(C)S(=O)(=O)c1cccc2nc(Cc3cc(F)cc4c3OCOC4)[nH]c12	587172130	WNJSCIPRBJNZMM-UHFFFAOYSA-N	391.424	2.410	0	1	GEAF	
CONC(=O)[C@H]1CN(c2ccc(-n3cc(-c4ccccn4)cn3)c(F)c2)C(=O)O1	653790162	KKCDDMOZAIHVLX-QGZVFWFLSA-N	397.366	2.076	0	1	GEAF	
C[C@]1(CCC(=O)O)C2=C(CC(=O)[C@@H]1[C@H](O)CO)[C@@H]1CC[C@H](C(=O)O)[C@]1(C)CC2	2356325784	ZWUWJKRACXICAP-RVWZSJSYSA-N	394.464	2.007	0	1	GEAF	
CC=C1CN2CC[C@H]1[C@]1(C(=O)OC)C(=O)[C@]3(C[C@H]21)c1ccccc1N[C@@H]3OC	2356412853	DNSZEXZABZEHOW-HLFHEINLSA-N	382.460	2.105	0	1	GEAF	
CC(=O)NCCNc1nc(-c2cccc(NS(C)(=O)=O)c2)nc2ccccc12	4257378	WEQNZIXGUYLHOZ-UHFFFAOYSA-N	399.476	2.216	0	1	GEAF	
CN1C[C@H](c2nc(C(=O)NCc3ccc(F)cc3)c(O)c3ncccc23)CC1=O	34884336	URAFNKWYZINOOU-CYBMUJFWSA-N	394.406	2.350	0	1	GEAF	
CCN1C(NCCCCO)=N[C@@H](CCc2ccccc2)[C@@H](C(=O)OC)[C@@H]1C	66139070	ZWJWBCMKHNNTFV-WDSOQIARSA-N	375.513	2.219	0	1	GEAF	
COc1ccc(OS(=O)(=O)c2ccc(N3CCNC3=O)cc2)cc1OC	72110012	BXICBWOFSIDVTP-UHFFFAOYSA-N	378.406	2.001	0	1	GEAF	
CN1CCN(c2ccc3c(c2)C(=O)c2cc(N4CCN(C)CC4)ccc2-3)CC1	82157329	DJVVVZJIWWEDHF-UHFFFAOYSA-N	376.504	2.402	0	1	GEAF	
CC[C@]12CC(C(=O)OC)=C3Nc4cc(OC)ccc4[C@]34CCN(C[C@H]3O[C@H]31)[C@H]42	85511412	YKTXUUJZENEUGL-XHCHQYRPSA-N	382.460	2.441	0	1	GEAF	biogenic,in-vitro
Cc1cnc(C(=O)Nc2ccc(F)c([C@]3(C(F)F)COCC(N)=N3)c2)cn1	113658782	WHJTYFYIOWGETK-KRWDZBQOSA-N	379.342	2.024	0	1	GEAF	
Cc1oc(CNS(C)(=O)=O)cc1-c1nc2cc(Br)ncc2[nH]1	586944621	OMHRUMJDDSHLCE-UHFFFAOYSA-N	385.243	2.338	0	1	GEAF	
CNS(=O)(=O)c1cc(-c2nc3c(F)c(Br)ccc3[nH]2)n(C)c1	586947584	UPRVQTHMXMFEQJ-UHFFFAOYSA-N	387.234	2.378	0	1	GEAF	
COc1cc2c3c(c1)O[C@]1(C(=O)Nc4cc5c(cc41)OCCCO5)[C@@H](C2)C3=O	587438582	GSSWXRNZPPCNPL-ZSEKCTLFSA-N	379.368	2.452	0	1	GEAF	
CN1CCN(CC(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)CC1	587660032	BHMBTALRQJFUQS-UHFFFAOYSA-N	380.423	2.090	0	1	GEAF	
C[C@H]1CC(=O)N([C@H](C)C(=O)N2CCN(c3ccccc3C(F)(F)F)CC2)C1=O	653780451	HICBEGXBNDGOAY-QWHCGFSZSA-N	397.397	2.138	0	1	GEAF	
C[C@]1(c2nonc2N)N[C@H](C(=O)O)Cc2ccc(Oc3ccc(O)cc3)cc21	962920401	FGXGIUQOVVOCSS-KXBFYZLASA-N	382.376	2.012	0	1	GEAF	
C[C@H](CCC(=O)O)O[C@@H]1O[C@H](C)[C@@H](OC(=O)c2c[nH]c3ccccc23)C[C@H]1O	2356468508	GIZBXORWWXIWKX-VJKDXKQUSA-N	391.420	2.459	0	1	GEAF	
OC[C@@H]1[C@H](O)C[C@@H](NC2CCCC2)[C@@H]1Cc1ccnc(COc2ccccc2)n1	2356616922	KZFZUSFAISIIQL-CIAFKFPVSA-N	397.519	2.488	0	1	GEAF	
CC(C)(C)OC(=O)NCCOC(=O)c1nc[nH]c1C(=O)NCc1ccccc1	36387803	KTKIFBVRKOFUGQ-UHFFFAOYSA-N	388.424	2.021	0	3	GEAF	
COC(=O)[C@H]1[C@@H](C)OC[C@H]2[C@@H]3N(C(C)=O)c4ccccc4[C@@]34CCN(C)[C@@H]4C[C@H]21	6031726	MUNURTJJRWIXFH-IXBAYOQISA-N	398.503	2.208	0	1	GEAF	
C=C[C@]1(C)CC(=O)[C@@H]2[C@](C)(O1)[C@H](O)[C@H](OC(C)=O)[C@@H]1C(C)(C)CC[C@H](O)[C@]21C	39652435	RFMCMYMBBORAQY-VNKFKIMISA-N	394.508	2.405	0	1	GEAF	biogenic
O=C(C(=O)N1CCN(C(=O)Cc2ccccc2)CC1)c1c[nH]c2cccc(F)c12	45287639	VEXKRMJIKIKYNL-UHFFFAOYSA-N	393.418	2.403	0	1	GEAF	
CCn1cc([C@]2(c3cccc(-c4cccnc4F)c3)N=C(N)N(C)C2=O)cn1	72182338	IKJXVRPWMOVIMY-FQEVSTJZSA-N	378.411	2.134	0	1	GEAF	
Cc1nc(NC(=O)c2ccccc2)sc1-c1cc(C(=O)N[C@@H](C)C(=O)O)[nH]n1	95588836	LYKXQBGLQLRIHP-JTQLQIEISA-N	399.432	2.297	0	1	GEAF	
O=C(NC[C@@H]1[C@H](c2ccccc2)[C@@H](CO)N1C(=O)C1CCC1)NC1CCCC1	95894897	PSPYKSKJQZXCHI-AQNXPRMDSA-N	385.508	2.384	0	1	GEAF	
CCN(C[C@H]1N[C@@H](CO)[C@@H]1c1ccc(-c2cccc(F)c2)cc1)C(=O)COC	95895154	AQAKAJMSJAYAPH-RZUBCFFCSA-N	386.467	2.404	0	1	GEAF	
C[C@]1(c2cccc(NC(=O)c3ccc(Br)cn3)n2)COCC(N)=N1	167500529	WQUQHUCOJVZXJC-MRXNPFEDSA-N	390.241	2.094	0	1	GEAF	
COc1ccc(NC(=O)[C@H]2C(=O)N(CCO)[C@]3(C)C[C@@H]2c2ccccc2O3)cc1	169294812	GAZFRBHNVWRJFX-LZNRXBQRSA-N	396.443	2.367	0	1	GEAF	
CC(=O)c1ccccc1OC(=O)CCN1C(=O)[C@@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C1=O	169300379	BTBBTBLGIFDWMW-OQTPBVATSA-N	379.412	2.238	0	1	GEAF	
CO[C@H](C)[C@H]1[C@H]2C[C@H]3C4=Nc5ccccc5[C@]45C[C@@H]([C@@H]2[C@H]5OC(C)=O)N3[C@@H]1O	253635021	XHABFDBTVXEZFH-QZZHJBGBSA-N	382.460	2.018	0	1	GEAF	
COc1cc2[nH]c(-c3ccc(S(=O)(=O)NC[C@H]4CCCO4)cc3)nc2cn1	586946525	LURKQLUCHLBTDW-CYBMUJFWSA-N	388.449	2.091	0	1	GEAF	
COC(=O)[C@@H]1C[C@@]23C(=O)[C@H]4C[C@H]5N(C[C@H]4C)C[C@@H]([C@@H](O)CC4=C2[C@@H]1CC4)[C@]53C	653795337	GCTDUMSVTGOYKG-YYGIKVSGSA-N	385.504	2.182	0	1	GEAF	
Cc1sc2ncnc(SCC(=O)N3CCn4cnnc4C3)c2c1Cl	1911578730	GMFBVVYPVUXRLN-UHFFFAOYSA-N	380.886	2.379	0	1	GEAF	
OC[C@H]1[C@H](Cc2ccnc(-c3ccccc3)n2)[C@H](NCc2cccnc2)C[C@H]1O	2356522990	BSIFVSBEJPBKSW-FNAHDJPLSA-N	390.487	2.229	0	1	GEAF	
CCN(CC)S(=O)(=O)c1cc(Br)cc2c1N(C(C)=O)CC2	2456187	ZGFGSMOXMHPMGL-UHFFFAOYSA-N	375.288	2.389	0	1	GEAF	
CCCn1c(=O)c2[nH]c(-c3cnn(Cc4ccccc4)c3)nc2n(CC)c1=O	29055615	RBSGLFFQVXTHGI-UHFFFAOYSA-N	378.436	2.228	0	1	GEAF	
C[C@@H]1CNc2c(NCc3ccc(O)cc3)c(=O)n(Cc3ccsc3)c(=O)n21	82210987	QDSGTKNDLRRQRO-GFCCVEGCSA-N	384.461	2.424	0	1	GEAF	
CS(=O)(=O)Oc1ccc2nc(O)n(-c3ccccc3Br)c2n1	118266927	QFPLHCNDSQRVOH-UHFFFAOYSA-N	384.211	2.227	0	1	GEAF	
CCS(=O)(=O)c1ccc2nc([C@@H](C)Sc3nc(N)cc(O)n3)[nH]c2c1	586963208	YCHMSNIPXPMITB-MRVPVSSYSA-N	379.467	2.288	0	1	GEAF	
Nc1nc(Cl)c2[nH]c(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)nc2n1	587118409	MIIVXSSSOANUDR-UHFFFAOYSA-N	384.709	2.507	0	1	GEAF	
O[C@@H]1CC[C@H](Cc2cc(-c3ccc(F)cc3)on2)O[C@H]1CNC1CCNCC1	2356287599	MHAOBVGBIOTXFM-SBHAEUEKSA-N	389.471	2.273	0	1	GEAF	
C=C1C=C(C(=O)OCC)Oc2cc3c(c(OCCCO)c21)C[C@H](C(C)(C)O)O3	2356364911	BOSVNSCYUOGCGV-QGZVFWFLSA-N	390.432	2.375	0	1	GEAF	
COc1ccc(C[C@@H]2COC(=O)[C@@H]2[C@H](O)c2ccc3c(c2)OCO3)cc1OC	2356724839	ARVNAKBKMLHRDP-VOBQZIQPSA-N	386.400	2.498	0	1	GEAF	
CC(=O)N(C[C@H]1N[C@H](CO)[C@@H]1c1ccc(-c2cncnc2)cc1)C1CCCC1	95668074	ORSAYWGJUIWSJS-YPAWHYETSA-N	380.492	2.351	0	1	GEAF	
CC(=O)NC[C@@H]1[C@@H](c2ccc(-c3cccnc3)cc2)[C@H](CO)N1C(=O)C1CCC1	95894908	ABMCTRXCSJHXAW-BHIFYINESA-N	393.487	2.340	0	1	GEAF	
COc1cc(F)ccc1OCCNCCCCN1C(=O)[C@@H]2CCCN2C1=O	96933084	OKFMKTGJDSWRMG-HNNXBMFYSA-N	379.432	2.010	0	1	GEAF	
CN/C(=C\[N+](=O)[O-])NCCSCc1ccc(CN[C@@H]2C3C[C@H]4C2[C@@H]4C3)o1	100369534	NIEBFIZWKXFMDD-NWAFGCMJSA-N	378.498	2.141	0	1	GEAF	in-man
Cc1nc(N)nc2c1cc(-c1cnc3[nH]ccc3c1)c(=O)n2[C@@H]1CC[C@@H](O)C1	140761669	IHUZRDGAFZZJDL-ZIAGYGMSSA-N	376.420	2.311	0	1	GEAF	
COc1ccc(OC2CCN(S(=O)(=O)c3c(C)n[nH]c3C)CC2)cc1F	207239252	HVMZKCAZKHKLHR-UHFFFAOYSA-N	383.445	2.406	0	1	GEAF	
COc1cc2c(cc1OC)[C@@]13CCN4CC5=CCO[C@H]6CC(=O)N2[C@H]1[C@@H]6[C@@H]5C[C@@H]43	299848832	RRKTZKIUPZVBMF-VGEYVTMYSA-N	394.471	2.110	0	1	GEAF	
C[C@@H](Sc1nc(N)cc(O)n1)c1nc2ccc(N3CCN(C)CC3)cc2[nH]1	586963322	ZTSXYVZTJDGCPD-LLVKDONJSA-N	385.497	2.246	0	1	GEAF	
O=C(NCc1nc2ccc(S(=O)(=O)O)cc2[nH]1)c1cc2c(s1)CCC2	587035140	OXGWOJBOCBOIFT-UHFFFAOYSA-N	377.447	2.290	0	1	GEAF	
COc1cc2c3c(c1)O[C@]1(C(=O)Nc4cc(SCC(=O)O)ccc41)[C@@H](C2)C3=O	587450380	FSJLUQCQCYHOHQ-RBZFPXEDSA-N	397.408	2.467	0	1	GEAF	
CC1(C)Oc2cc(O)ccc2[C@@H]2[C@@H]1CCn1c(=O)n(-c3ccccc3)c(=O)n12	1772575740	TZFMTPABAWISGW-FUHWJXTLSA-N	379.416	2.287	0	1	GEAF	
CN1CCN(C(=O)c2ccc(Cc3onc4c3C(=O)CC(C)(C)C4)cc2)CC1=O	1857753954	TZDZYDIMIUSKKD-UHFFFAOYSA-N	395.459	2.335	0	1	GEAF	
CC[C@@H]1C[C@H]2C[C@@]3(C(=O)OC)c4[nH]c5ccc(OC)cc5c4[C@H]4O[C@H]2N([C@@H]13)[C@@H]4O	2356543903	VQGAYUYOVHVHFB-UARPVRCBSA-N	398.459	2.437	0	1	GEAF	
c1cnc(N2CCN(CCCc3c[nH]c4ccc(-n5cnnc5)cc34)CC2)nc1	841221	KDIBFAUPWUSDGT-UHFFFAOYSA-N	388.479	2.293	0	1	GEAF	
CC1CCN(CCCNC(=O)CCS(=O)(=O)Cc2ccccc2F)CC1	4711580	RUFMMNKBQLFRPJ-UHFFFAOYSA-N	384.517	2.369	0	1	GEAF	
O=P(O)(O)C(O)(Cc1cccc(-c2ccc(F)cc2F)c1)P(=O)(O)O	13673800	SQJZGUCJSOQOMH-UHFFFAOYSA-N	394.203	2.176	0	1	GEAF	
COc1cccc2c1CCC[C@@H]2C(=O)NCCN1CCN(c2ccccn2)CC1	13757314	FLUORPLKDHALHQ-FQEVSTJZSA-N	394.519	2.449	0	1	GEAF	
CO[C@H]1COC(=O)C/C=C/[C@@H](C)COC(=O)[C@H]2CCCN2C(=O)C/C=C/[C@H]1C	34148908	XWWBVVBSGQSUTO-FUHFEUMCSA-N	393.480	2.257	0	1	GEAF	
C[C@H](NC(=O)c1coc(-c2ccc3c(c2)OCO3)n1)C(=O)NCc1ccco1	82082865	SOQDNWDYGCYACX-NSHDSACASA-N	383.360	2.098	0	1	GEAF	
CCCCNC(=O)CNC(=O)c1csc(-c2cc(OC)cc(OC)c2)n1	82084870	CDUPAGMQLMHEDB-UHFFFAOYSA-N	377.466	2.473	0	1	GEAF	
COCCn1c(=O)c(NCC(C)C)c2n(c1=O)C[C@H](CC1CCCCC1)N2	82207709	KZMGKZSJANKTPN-INIZCTEOSA-N	378.517	2.489	0	1	GEAF	
CCOC(=O)C[C@H]1C(C(=O)OCC)=C(N)Oc2ccc(-c3cncnc3)cc21	95560063	AMIOTFZITPNRFY-OAHLLOKOSA-N	383.404	2.306	0	1	GEAF	
C/C=C/c1ccc([C@@H]2[C@H](CO)N(S(C)(=O)=O)[C@H]2CN(CC)C(=O)CC)cc1	95895687	HSUXERLKQQDBIM-JIZSDFNSSA-N	394.537	2.067	0	1	GEAF	
O=C1[C@@H]2C=C(I)[C@H](C[C@@H]2OCCCCCCO)[C@]12CO2	169370868	QFMSBBZGQQICDX-REJLFOLJSA-N	392.233	2.231	0	1	GEAF	
CN1C[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2[C@]12C(=O)Nc1ccc(Cl)cc12	254129230	DILGOMWLIDDFQA-ZSOFBXJNSA-N	381.819	2.239	0	1	GEAF	
CC(=O)[C@@H](Sc1ncccn1)[C@@]1(C)N[C@H](C(=O)O)Cc2cc(F)ccc21	962896342	MERQNJHRYTYMBY-DAYGRLMNSA-N	375.425	2.180	0	1	GEAF	
CCCCCC(=O)N1CCN(c2nc3cc(OC)c(OC)cc3c(=N)[nH]2)CC1	1857744373	BWNSRGRMDKBXMC-UHFFFAOYSA-N	387.484	2.288	0	1	GEAF	
CCN(CC)CCNC(=O)c1cn(CCOC)c(=O)c2c1c1ccccc1n2C	4788765	XZFYAQJHYZCPHL-UHFFFAOYSA-N	398.507	2.211	0	3	GEAF	
COC(=O)c1c(C)c(OC(=O)c2c(C)cc(O)c(C=O)c2O)c(O)c(C)c1O	15122205	LUKUPNOVEBXNDF-UHFFFAOYSA-N	390.344	2.253	0	1	GEAF	biogenic
CN(C)CCN(C)CC[C@H]1CN(C(=O)Cc2cccs2)CC[C@H]1CC(=O)O	20462966	DEGPHBOETWCLIK-IRXDYDNUSA-N	395.569	2.114	0	1	GEAF	biogenic
Nc1ccc(S(=O)(=O)NCc2cn(Cc3ccccc3Cl)nn2)cc1	64428930	BKGYWJNFYHIBRN-UHFFFAOYSA-N	377.857	2.041	0	1	GEAF	
Cc1c(NC(=O)c2c(C(=O)O)cccc2C(=O)O)c(=O)n(-c2ccccc2)n1C	64548911	QZKNZEFDNAXKNI-UHFFFAOYSA-N	395.371	2.133	0	1	GEAF	
CC(=O)NCCNC(=O)c1cnc(N2CCCCC2)nc1-c1ccc(F)cc1	82141427	LLYWLHYKDYEZIG-UHFFFAOYSA-N	385.443	2.139	0	1	GEAF	
O=C1C(=O)N(CCN2CCOCC2)[C@H](c2ccccc2)[C@@H]1C(=O)c1cccs1	110684232	SKNWNDQUULIBLE-QZTJIDSGSA-N	398.484	2.032	0	1	GEAF	
CC(=O)NCCCCNC(=O)c1[nH]cc(C(=O)O[C@H]2C[C@H]3CC[C@H]2C3)c1C	253654832	GKVZLYPVWDZDLN-ZOBUZTSGSA-N	375.469	2.315	0	1	GEAF	
CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2c(N)ccnc2[nH]1	586937182	PPVUCWVUZSNQOF-ZDUSSCGKSA-N	377.495	2.313	0	1	GEAF	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)N(CCC(=O)O)c2cc(F)ccc21	587383258	AGLJXEBDSSGAKZ-HXUWFJFHSA-N	384.363	2.398	0	1	GEAF	
N#CN1CC[C@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)OCc2ccccc2)C1	621431446	IHGOJDDZBIEQDF-VQTJNVASSA-N	392.459	2.196	0	1	GEAF	
CN1[C@@H]2COC[C@H]1C[C@@H](OC(=O)c1cn(-c3cnn(C)c3)c3ccccc13)C2	1772645382	XPAUMUKCUAIPGZ-SCAQPMJSSA-N	380.448	2.382	0	1	GEAF	
OC[C@H]1[C@H](Cc2ccnc(C3CC3)n2)[C@H](NC2Cc3ccccc3C2)C[C@H]1O	2356289586	XRGDEMGWUVMJDZ-FNAHDJPLSA-N	379.504	2.011	0	1	GEAF	
CC(C)CC(=O)O[C@@H]1C[C@H]2C[C@@H](OC(=O)[C@@H](CO)c3ccccc3)C[C@H]1N2C	2356331884	UOEYCNAEZZOSJM-OUUBHVDSSA-N	389.492	2.499	0	1	GEAF	
CN(C)CCc1cc2c(cc1C(=O)[C@@H]1O[C@@H](O)c3c1ccc1c3OCO1)OCO2	2356474965	KZBMUCKOVJMMQM-TZIWHRDSSA-N	399.399	2.193	0	1	GEAF	
Cc1noc(C)c1CN1CCN2C(C(=O)Nc3ccccc3)=COC2=NC1=O	206058975	WHPXSAVRTRFTET-UHFFFAOYSA-N	381.392	2.395	0	3	GEAF	
Cc1cccc(NC(=O)C[C@@H]2[C@H](O)CC[C@H]3[C@@]2(C)CC[C@@H](O)[C@@]3(C)CO)n1	3841835	SFFUMXVMFHXQRN-IKQJIHETSA-N	376.497	2.265	0	1	GEAF	biogenic
COc1ccc(OC)c(CCNC(=O)c2noc3ncnc(N4CCCC4)c23)c1	20993752	UNURDLBJLRCLII-UHFFFAOYSA-N	397.435	2.208	0	1	GEAF	
CNC[C@@H]1Oc2ncc(-c3ccc(F)cc3)cc2C(=O)N([C@H](C)CO)C[C@@H]1C	95848418	CFMQIKJCPVQGPN-KSMMKXTCSA-N	387.455	2.327	0	1	GEAF	
CN/C(=C\[N+](=O)[O-])NCCSCc1ccc(CN[C@@H]2C3C[C@@H]4C2[C@@H]4C3)o1	100369525	NIEBFIZWKXFMDD-QAGCJGFVSA-N	378.498	2.141	0	1	GEAF	in-man
O=C(Nc1ccc(C(=O)N2CC3(CCCNC3)C2)cc1)N1Cc2ccncc2C1	166500602	ORGGXORLMSGQIE-UHFFFAOYSA-N	391.475	2.455	0	1	GEAF	
O[C@H](c1ncco1)[C@H]1CCCN(c2ncnc3cc(N4CCOCC4)ccc23)C1	199440526	JWEMHIXXACOGKY-KXBFYZLASA-N	395.463	2.404	0	1	GEAF	
CCCn1c(=O)c2nc([C@H]3CC[C@H](CNC(C)=O)CC3)[nH]c2n(CCC)c1=O	253648814	XFYITOILSTZMGV-SHTZXODSSA-N	389.500	2.116	0	1	GEAF	
CCOCc1ccc(-c2nc3cc(C(=O)N4CCN(CCO)CC4)ccc3[nH]2)o1	586902997	KBGYYTISNZLNCN-UHFFFAOYSA-N	398.463	2.110	0	1	GEAF	
N[C@@H](CP(=O)(O)O)c1nc2c(Br)ccc(Br)c2[nH]1	586923646	XDPSIHFVFCIESW-LURJTMIESA-N	398.979	2.265	0	1	GEAF	
C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1	586938965	MBEKUQHKIVVNLN-ZETCQYMHSA-N	391.350	2.494	0	1	GEAF	
COc1ccc(-c2nc(N)n(-c3ncnc4cc(OC)c(OC)cc34)n2)cc1	653801315	OSLTZDMHTAYQIY-UHFFFAOYSA-N	378.392	2.486	0	1	GEAF	
OCCOc1ccc(CN2CCC(c3nnn4cnc5[nH]ccc5c34)CC2)cc1	1772622322	ZTJGFWUKYIOSTN-UHFFFAOYSA-N	392.463	2.356	0	1	GEAF	
N#CN1CC[C@H](NC(=O)c2ccc(N3CCC(Oc4ccccc4)CC3)nc2)C1	1857611346	QDOUYTYLACIKAP-SFHVURJKSA-N	391.475	2.415	0	1	GEAF	
CNC(=O)c1cc(C(=O)N[C@@H]2C[C@H]2CO)cc2c1O[C@H](CF)[C@H]2c1ccccc1	1911585620	HUPUDWCNXONDFP-PIKADFDJSA-N	398.434	2.019	0	1	GEAF	
C[C@]1(CO)CN(Cc2ccccc2)C[C@H]2CN(C(=O)c3ccccc3F)CCN21	2356302862	HAECDLCMLRCQES-WMZHIEFXSA-N	397.494	2.219	0	1	GEAF	
O=C(N[C@@H]1CO[C@@H]2[C@H](Nc3nccc(-c4ccccc4)n3)CO[C@H]12)c1ccco1	2356815897	CWSFYVCTGMGIFW-PSBWJHGTSA-N	392.415	2.113	0	1	GEAF	
CC(=O)O[C@H]1C=C[C@@H](O)[C@@H]2[C@@H]1[C@@H](O)C=CC21Oc2cccc3cccc(c23)O1	14958790	FRGSTJNRJXFGJS-NUJXGAOPSA-N	380.396	2.333	0	1	GEAF	
NC(=O)c1nc(CCCCCCCCCCCCc2noc(C(N)=O)n2)no1	40919063	SNOWTVMAQYZBKD-UHFFFAOYSA-N	392.460	2.337	0	1	GEAF	
CC(=O)Nc1c2n(c(=O)n(Cc3ccc(Cl)c(Cl)c3)c1=O)[C@H](C)CN2	82212591	LFLUPFVSEZLEEP-MRVPVSSYSA-N	383.235	2.310	0	1	GEAF	
COc1ccc2c(c1)c(C[C@@H]1C(=O)Nc3ccc(S(N)(=O)=O)cc31)cn2C	100864910	YUFXVKVATYTTCX-INIZCTEOSA-N	385.445	2.113	0	1	GEAF	
O=C(O)[C@@H]1C[C@H]2C[C@@H](Nc3cccc(Cl)c3-c3nnn[nH]3)CC[C@H]2CN1	103279918	KEAYFPZRLIEYFA-MIJXAVMKSA-N	376.848	2.163	0	1	GEAF	
C[C@@H]1CCCCN1c1nn(CC(C)(C)O)cc1NC(=O)c1cnn2cccnc12	145168640	JGERZOWTPSQGTH-CQSZACIVSA-N	397.483	2.328	0	1	GEAF	
CCOC(=O)CN1C(=O)[C@]2(CC(=O)c3cc(C)cc(N)c3O2)c2ccccc21	587402379	ZSRRZRLBBJBOEV-NRFANRHFSA-N	380.400	2.348	0	1	GEAF	
COC(=O)C[C@]1(C(OC)OC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	587598537	YAVDEJDNQLWCSY-JXFKEZNVSA-N	388.372	2.275	0	1	GEAF	
CCn1ncc(N)c1C(=O)n1nc(-c2ccc(C(F)(F)F)nc2)cc1OC	587870038	SVSWLAZTSRLIMU-UHFFFAOYSA-N	380.330	2.460	0	1	GEAF	
C[C@@H]1N[C@H](c2ccccn2)NC(=O)[C@H]1CC(=O)N(C)[C@@H]1CCc2ccccc21	618014047	MCLLQUCQEQWJIN-RDDTUUHWSA-N	378.476	2.340	0	1	GEAF	
COC(=O)C(=O)C[C@@]1(c2cccnc2)NCCc2cc3cccc(OC)c3nc21	963049887	BRDFXYNLUVFFPP-QFIPXVFZSA-N	391.427	2.160	0	1	GEAF	
COc1ccc([C@H]2[C@H](CO)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1O	1857772016	JJGIUCCUMYQUIO-UGSOOPFHSA-N	389.404	2.123	0	1	GEAF	
CC(C)S(=O)(=O)N1CC[C@H](CC(=O)O)[C@H](Cc2nc3ccc(F)cc3[nH]2)C1	2356334703	LUWPAXNREUHKRU-CHWSQXEVSA-N	397.472	2.396	0	1	GEAF	
CC(C)CN[C@@H]1C[C@H](O)[C@H](CO)[C@@H]1Cc1ccnc(COc2ccccc2)n1	2356456562	JFNJURZZYRJCMV-BQJUDKOJSA-N	385.508	2.202	0	1	GEAF	
Cc1cc(O)cc(C)c1C[C@H](CN)C(=O)N1Cc2ccccc2C[C@H]1C(=O)O	13802621	HVZIFQGIVOWFPA-XLIONFOSSA-N	382.460	2.165	0	1	GEAF	
CC=C1CN(C)C[C@@]2(C(=O)OC)Cc3c(n(OC)c4ccccc34)C(=O)C[C@@H]12	17215284	FFGSUUFWXITFBY-JTSKRJEESA-N	382.460	2.496	0	1	GEAF	biogenic
COc1ccc(C(=O)N2CC[C@@H]3NC(=O)N(c4ccc(F)cc4)C(=O)[C@H]32)cc1	25412510	DSZZNNBZNOEDAV-IRXDYDNUSA-N	383.379	2.174	0	1	GEAF	biogenic
O=C1CC2(CCCC2)CC(=O)N1CCCCCN1CCN(c2ncccn2)CC1	26169098	PENGTVYPTDDWDF-UHFFFAOYSA-N	399.539	2.478	0	1	GEAF	
O=C(O)c1cc(Br)cc(CCn2cnc3c2NC=NC[C@H]3O)c1	29324623	GVJDHCRNNQRHQD-GFCCVEGCSA-N	379.214	2.074	0	1	GEAF	
CN[C@@H](C)[C@H]1CCN(c2cc3c(c(N)c2F)c(=O)c(C(=O)O)cn3C2CC2)C1	40466689	IREVOVMSSRKOJM-QWRGUYRKSA-N	388.443	2.190	0	1	GEAF	
CNC[C@@H](O)CCN1c2ccccc2N(c2ccc(F)c(F)c2)S1(=O)=O	49089447	RDRQTGHODUVHMX-ZDUSSCGKSA-N	383.420	2.138	0	1	GEAF	
CCc1nc(C(=O)N(C)CC(=O)NCc2cccc(OC)c2OC)cs1	82073761	CTAJBGQMSPVSRE-UHFFFAOYSA-N	377.466	2.111	0	1	GEAF	
CCCCNC(=O)c1cnc(N2CCN(C(C)=O)CC2)nc1-c1ccccc1	82132443	NKRJWMRHFGSLTH-UHFFFAOYSA-N	381.480	2.342	0	1	GEAF	
COC(=O)[C@H]1[C@H]2c3ccc(C4=CCCCC4)c(=O)n3C[C@@H]([C@@H]1CO)N2CC1CC1	95881270	WYIDKFIWLJUXSM-MJUUVYJYSA-N	398.503	2.352	0	1	GEAF	
COc1cc(CC(=O)Nc2cnn(Cc3c(C)noc3C)c2)cc(OC)c1O	115729558	HZLHDTOSSNHENW-UHFFFAOYSA-N	386.408	2.440	0	1	GEAF	
COc1cc(OC)c(/C=C/S(=O)(=O)Cc2cnc(OC)c(N)c2)c(OC)c1	145855498	SJUIAQGLXFJIBB-AATRIKPKSA-N	394.449	2.284	0	1	GEAF	
CCN(CC)S(=O)(=O)c1cccc(-c2nc3c(O)nc(S)nc3[nH]2)c1	586931248	ZDWCNSQJLFJJIG-UHFFFAOYSA-N	379.467	2.045	0	1	GEAF	
COc1cc2c3c(c1)O[C@]1([C@@H]4CN(C(=O)OC(C)(C)C)C[C@@H]1CO4)[C@@H](C2)C3=O	587443770	MAWDLHXUEHNDQD-LNRRLMASSA-N	387.432	2.447	0	1	GEAF	
CN1C(=O)Cc2cc(S(=O)(=O)NNc3ccc(Br)cc3)ccc21	653792952	SOVRRLGABXCRGR-UHFFFAOYSA-N	396.266	2.273	0	1	GEAF	
COCCN[C]1C=C(c2noc([C@@H]3CCCN3Cc3ccccn3)n2)C=CN1	2356813653	WORFGPFHVZOKOS-KRWDZBQOSA-N	381.460	2.027	0	1	GEAF	
Cc1cc(NC(=O)c2ccc(S(=O)(=O)N(C)C[C@@H]3CCCO3)cc2)no1	4325643	VOFKMTJHOMVZTH-AWEZNQCLSA-N	379.438	2.035	0	3	GEAF	
COc1cc2c(cc1OC)[C@]13CCN4C[C@@H]5CCO[C@@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@H]43	253915806	BETNIDISFVHOSJ-ZVOXUDNBSA-N	396.487	2.190	0	3	GEAF	
COc1cc([C@H]2[C@H]3C[C@@H](C[C@@]2(O)CC(=O)c2ccccc2)OC3=O)oc(=O)c1	14884343	BRWQQGQVOVWUIT-FKFGOPAYSA-N	384.384	2.072	0	1	GEAF	biogenic
CCCCCc1ccc(-c2cc3cn([C@H]4C[C@H](O)[C@@H](CO)O4)c(=O)nc3o2)cn1	28710413	FGARBZQRIXXAKB-QXAKKESOSA-N	399.447	2.425	0	1	GEAF	
COCC(=O)Nc1ccc(-c2noc([C@@H]3CCCN3Cc3ccccn3)n2)cn1	35425673	WTGXNAFFWDKJLC-INIZCTEOSA-N	394.435	2.449	0	1	GEAF	biogenic
Nc1ccccc1-c1nnc(C(=O)NCc2ccnc(N3CCSCC3)c2)o1	43120204	NUOINCLIAABVCU-UHFFFAOYSA-N	396.476	2.197	0	1	GEAF	
COc1cc2nc(N3CCC[C@@H](C(N)=O)C3)nc(NCC(C)C)c2cc1OC	82127673	TZLZASLCSHPWET-CYBMUJFWSA-N	387.484	2.417	0	1	GEAF	
O[C@@](Cc1cn(Cc2ccccc2)nn1)(Cn1cncn1)c1ccc(F)cc1F	84634263	XFYHXHGFFRCGTD-FQEVSTJZSA-N	396.401	2.327	0	1	GEAF	
CC(C)(Oc1ccccc1)C(=O)NC1[C@@H]2CC3C[C@@H]1CC(S(N)(=O)=O)(C3)C2	101102461	RJFGXRMIXRFUOJ-IBIAUYFBSA-N	392.521	2.196	0	1	GEAF	
N[C@@H](Cc1ccc(O)cc1)C(=O)NCC12C[C@@H]3C[C@@H](C1)CC(CC(=O)O)(C3)C2	101457673	HLYXXEPIBWKYRY-AYTOPJBQSA-N	386.492	2.440	0	1	GEAF	
O=C([C@@H]1CCCO1)N1CCN(C[C@H](NCc2ccccn2)c2ccccc2)CC1	116235207	PSFYBZOFVANRRZ-VXKWHMMOSA-N	394.519	2.236	0	1	GEAF	
C/C=C(\C)C(=O)O[C@H]1C[C@@H]2C[C@H](OC(=O)/C=C(\C)C(=O)OCC)C[C@H]1N2C	238752384	BMCYUBMWFPFWQQ-YVIXRUEDSA-N	379.453	2.152	0	1	GEAF	
COC(=O)c1cc2nc(C3(NC(=O)OC(C)(C)C)CCC(O)CC3)[nH]c2cn1	587237785	XFZYVJAKOQZVGI-UHFFFAOYSA-N	390.440	2.399	0	1	GEAF	
COC(=O)CC[C@@]1(C(=O)OC)N[C@@H](C)Cc2ccc(F)c(Br)c21	587809348	REKQMGOHFNKUJC-XXFAHNHDSA-N	388.233	2.444	0	1	GEAF	
CCC(CC)O[C@@H]1C=C(C(=O)NCc2cccc(F)c2)C[C@H](N)[C@H]1NC(C)=O	1857629131	XIHRLPCQIQFERN-XUVXKRRUSA-N	391.487	2.178	0	1	GEAF	
Oc1n/c(=C\c2ncc[nH]2)c(O)n/c1=C\c1cccc(Oc2ccc(F)cc2)c1	1911577654	SAJPBBRCKWQSSC-WHYMJUELSA-N	390.374	2.200	0	1	GEAF	
COCC(=O)N[C@@H]1[C@H](c2cccs2)N(C(=O)c2ccccc2)CC[C@]1(C)O	2356317919	ANMPKRCINWTSOT-NSHGMRRFSA-N	388.489	2.218	0	1	GEAF	
CCCCC[C@H](O)C=C[C@@H]1[C@@H](O)CC(=O)[C@H]1CC=CCCCC(=O)NCCO	2356710019	GKKWUSPPIQURFM-IWFBPKFRSA-N	395.540	2.275	0	1	GEAF	
Cc1ccccc1CN1CCN(CC(=O)NCc2ccc3c(c2)OCO3)C1=O	3029195	AHAAUWPSHXOETH-UHFFFAOYSA-N	381.432	2.278	0	3	GEAF	
COCC(=O)N(CCN(C)C)Cc1cc2cc3c(cc2nc1Cl)OCO3	4898763	YUTMFISZZCAEBD-UHFFFAOYSA-N	379.844	2.154	0	3	GEAF	
Cn1cc(C2=C(c3cn(C)c4cc(C(N)=O)ccc34)C(=O)NC2=O)c2ccccc21	580020	JDFHTCHKNZWWME-UHFFFAOYSA-N	398.422	2.336	0	1	GEAF	
COc1ccc(-c2ccc(N3C[C@@H](CNC(C)=O)OC3=O)cc2F)ccc1=O	837397	JBPAWJMDARDLTI-OAHLLOKOSA-N	386.379	2.323	0	1	GEAF	
Cc1ccc(C(=O)COC(=O)CCN2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2=O)cc1C	4592924	LPSKHTNXPJIQNP-NFQUHZNNSA-N	383.444	2.451	0	1	GEAF	
CO[C@H]1COC(=O)C/C=C\[C@@H](C)COC(=O)[C@H]2CCCN2C(=O)C/C=C\[C@H]1C	7998163	XWWBVVBSGQSUTO-MYLJYYRWSA-N	393.480	2.257	0	1	GEAF	
S=C(NCCc1ccccn1)c1nc[nH]c1C(=S)NCCc1ccccn1	13219131	SLWIACRTJATKCU-UHFFFAOYSA-N	396.545	2.215	0	1	GEAF	
O=C(O)C[C@H](NC(=O)c1cncc(Br)c1)C(=O)Cc1ccccc1	13533705	AAOMPIAQUXEAPZ-AWEZNQCLSA-N	391.221	2.229	0	1	GEAF	
COc1ccc([C@@H]2Nn3c(C)nnc3S[C@H]2C(=O)NCc2ccco2)cc1	20068830	WKKWVMLEMQVVRR-JKSUJKDBSA-N	385.449	2.264	0	1	GEAF	
CNC(=O)/C=C(\c1ccccc1)c1ccc2nc(N)c(S(=O)(=O)C(C)C)n2c1	27652579	SJFMUYBKPGWPBV-LFIBNONCSA-N	398.488	2.276	0	1	GEAF	
COc1cc([C@H](O)c2cnnn2Cc2ccc3c(c2)OCO3)cc(OC)c1OC	28872634	IHVQAACTJVDHHO-IBGZPJMESA-N	399.403	2.163	0	1	GEAF	
N[C@H](C(=O)N1CC[C@H](F)C1)[C@H]1CC[C@H](NC(=O)OCc2ccccc2)CC1	100773535	ZMAHAONSAMATES-FJIDUMEYSA-N	377.460	2.369	0	1	GEAF	
CCCC(=O)c1nnc2nc(S(=O)(=O)Cc3ccccc3)nn2c1CCC	169347832	HARZELPYCDQMGY-UHFFFAOYSA-N	387.465	2.429	0	1	GEAF	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CN1C(=O)c3ccccc3S1(=O)=O)O2	587408762	DEZNXDPWYYOVGX-LJQANCHMSA-N	386.429	2.146	0	1	GEAF	
CC(C)c1nc(C(=O)NC[C@@H]2CN(C3CCOCC3)CCO2)c2ccccn12	653804977	HVNRSJACLYLTGO-QGZVFWFLSA-N	386.496	2.067	0	1	GEAF	
CCOP(=O)(OCC)[C@@H]1N=C[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=O)[C@@H]12	1857590099	RCUIZXHMVBJQPJ-ZNMIVQPWSA-N	380.337	2.477	0	1	GEAF	
CC1=C[C@H](CNC(=O)CCC(=O)O)[C@H](C(C)C)C[C@H]1CC(=O)N1CCOCC1	2356300201	BOUGRSVKBOWMFJ-KSZLIROESA-N	394.512	2.071	0	1	GEAF	
CC(=O)O[C@]1(C)C(=O)O[C@@H]2[C@@H]3C(C)=CC[C@@H]3[C@](C)(O)C[C@H](OC(=O)C(C)C)[C@H]21	2356442457	CPFDFMRUEQZXHU-ZXGNCYSPSA-N	394.464	2.155	0	1	GEAF	
Cc1cccc(NC(=O)Cn2c(=O)n(C[C@H]3CCCO3)c(=O)c3ccccc32)c1	4907017	FXZMJLCQCDHXIN-QGZVFWFLSA-N	393.443	2.289	0	3	GEAF	
Cn1c(=O)c2c(nc(N3CCCCCC3)n2Cc2ccccc2F)n(C)c1=O	641015	OVVAFQCVEMCQGC-UHFFFAOYSA-N	385.443	2.002	0	1	GEAF	
COCC[C@H]1C[C@H]2CN3CCc4c([nH]c5ccccc45)[C@](C(=O)OCCO)(C2)[C@H]13	13522296	VOCSICAFSPBNRT-RUHLTRSKSA-N	398.503	2.244	0	1	GEAF	in-vivo
O=P(O)(O)C(O)(Cc1cccc(-c2cc(F)cc(F)c2)c1)P(=O)(O)O	13673790	IRROVSYCXLJDBB-UHFFFAOYSA-N	394.203	2.176	0	1	GEAF	
O=C(C[C@@H]1CCNC[C@@H]1Cc1cc(CN2CCOCC2)on1)Nc1ccccc1	15673776	PFFPRTNNMQWWGU-ROUUACIJSA-N	398.507	2.304	0	1	GEAF	biogenic
CC[C@H]1CN(C(=O)c2ccccc2)CC[C@@H]1CC(=O)NCCN1CCOCC1	25427682	CBMNWFYRSJZMPS-AZUAARDMSA-N	387.524	2.013	0	1	GEAF	biogenic
NC(=O)c1cc([C@@H](O)CN2CCN(c3ccc(Cl)cc3)CC2)ccc1O	26994527	ZUUJVRTUHLGCBC-SFHVURJKSA-N	375.856	2.000	0	1	GEAF	
CC(=O)S[C@@H](CC(=O)N1CCC[C@H]1C(=O)O)C(=O)c1ccc2c(c1)CCC2	27314516	WHCYDTKPNWWNJB-IRXDYDNUSA-N	389.473	2.472	0	1	GEAF	
Cc1ccc(F)cc1S(=O)(=O)N[C@@H]1CCN(Cc2ccc3c(c2)OCO3)C1	28959567	BINOFTOTFNKMJE-MRXNPFEDSA-N	392.452	2.416	0	1	GEAF	
CCCCn1nc(-c2ccc(OC(F)(F)F)cc2)nc2c(=O)n(C)c(=O)nc1-2	49114123	SGPLRFAFOMRSDL-UHFFFAOYSA-N	395.341	2.203	0	1	GEAF	
C[C@H](Nc1nc(C(N)=O)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1)C(N)=O	142351621	IQAHEFLRZJVRTR-NSHDSACASA-N	395.394	2.460	0	1	GEAF	
CN1C(=O)C[C@H](c2ncncc2F)N=C1N1CCO[C@@H](c2ccc(F)cc2)C1	146170212	DFWLNCCVLIFYDO-HZPDHXFCSA-N	387.390	2.088	0	1	GEAF	
Cc1cn2cc(-c3cc(=O)n4cc(N5CCN(C)CC5)ccc4n3)cc(F)c2n1	148308487	OCIABPGRNCLBEI-UHFFFAOYSA-N	392.438	2.209	0	1	GEAF	
COC(=O)[C@@]1(C)N[C@H](c2cccs2)[C@@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]21	169299126	SFPGMLMXUYNMNH-GPINWOSQSA-N	388.420	2.269	0	1	GEAF	
Cc1ccc(CNc2cc(OC[C@H]3C[C@@H]3c3ccn(C)n3)nn(C)c2=O)cn1	221917919	KYJUXKOZAZFNAJ-CVEARBPZSA-N	380.452	2.012	0	1	GEAF	
NC1=N[C@@](CF)(c2nc(NC(=O)c3ccc(Cl)cn3)ccc2F)[C@@H]2C[C@@H]2O1	226098040	MELWCFRTFXQYNP-CIBPLQMKSA-N	393.781	2.420	0	1	GEAF	
Nc1nccc2nc([C@H](N)Cc3ccc(I)cc3)[nH]c12	587185885	OTNBACBZESYXDX-SNVBAGLBSA-N	379.205	2.387	0	1	GEAF	
CC(C)(C)OC(=O)N[C@]1(c2nc3c(N)ncnc3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C	587238359	CKAZJWDWDMQBMP-DKHZXNSXSA-N	388.472	2.490	0	1	GEAF	
Cc1ccc(C[C@H](NC(=O)[C@@H]2NC(=O)[C@H]3CCCC[C@H]3N2)c2ccccn2)cc1	618014916	BZMMMPVKLKPHDA-YHELAOLJSA-N	392.503	2.394	0	1	GEAF	
Nc1ncnc2c1c(-c1cccc(C(F)(F)F)c1)cn2[C@@H]1O[C@H](CO)C[C@H]1O	1857569619	GOHUGHQJGDSTEE-XTQGRXLLSA-N	394.353	2.340	0	1	GEAF	
COc1ccc(C(=O)c2[nH]c(N)c(C(N)=O)c2-c2ccc(O)c(OC)c2)cc1	1857750344	DIRZACQVHSQMLE-UHFFFAOYSA-N	381.388	2.317	0	1	GEAF	
O=C(Nc1ccccc1)[C@@H]1CN2CC[C@H]1C[C@H]2Cn1cc(C2(O)CCCC2)nn1	2356821431	GANPCIMBUIBMPK-YTQUADARSA-N	395.507	2.389	0	1	GEAF	
Cc1nn(CC(=O)N2CCC(C)CC2)c(=O)c2nn(-c3ccccc3)c(C)c12	6943776	XRKHCJINKHUZJG-UHFFFAOYSA-N	379.464	2.458	0	3	GEAF	
COc1cccc(NC(=O)N[C@H]2C[C@@H](c3nc(-c4cncnc4)no3)N(C)C2)c1	12530121	JZGJXYMMCYKXIQ-HOCLYGCPSA-N	395.423	2.102	0	1	GEAF	biogenic
COc1ccc(C(=O)N[C@@H]2CN(Cc3ccc(C(=O)O)cc3)CCC[C@H]2O)cc1	15672256	MHJLDUNSYHYZBQ-WOJBJXKFSA-N	398.459	2.149	0	1	GEAF	biogenic
CC(C)Cc1ccc(-c2cc3cn([C@H]4C[C@H](O)[C@@H](CO)O4)c(=O)nc3o2)cc1	28129952	DSZHMCRYMHPQEZ-QXAKKESOSA-N	384.432	2.496	0	1	GEAF	
COc1cc(Br)cc([C@@H]2C3=C(COC3=O)Nc3[nH]ncc32)c1O	71295245	TXLSUYWLDFEJHY-NSHDSACASA-N	378.182	2.255	0	1	GEAF	
O=C(Nc1ccc(F)cc1)N[C@H]1C=C[C@@H](CC(=O)N2CCCCC2)O[C@H]1CO	95906046	GRROAJFSYBFQKD-BZSNNMDCSA-N	391.443	2.034	0	1	GEAF	
COc1ccc(-n2cc(C(=O)Nc3ccc([C@H]4CNCCO4)cc3)nn2)cc1	146984814	AUNQKHKALVSFFC-LJQANCHMSA-N	379.420	2.189	0	1	GEAF	
CNC(=O)c1cnc(NC(=O)Nc2ccccc2)n2nc(-c3ccco3)nc12	299834928	WAQPAPWWCAZZPX-UHFFFAOYSA-N	377.364	2.388	0	1	GEAF	
CCCO[C@@H]1C([N+](=O)[O-])=C(N(CC)Cc2ccc(Cl)nc2)N(C)[C@]1(C)O	299849063	ZSYFDJMHUUBBIL-NVXWUHKLSA-N	384.864	2.452	0	1	GEAF	
COc1ccc(NC(=O)N2CCN(c3[nH]c(=N)nc4scnc34)[C@@H](C)C2)cc1	1857646385	KZIBRANFIUFCCY-NSHDSACASA-N	399.480	2.250	0	1	GEAF	
OC[C@H]1[C@H](Cc2ccnc(COc3ccccc3)n2)[C@@H](NC2CCC2)C[C@H]1O	2356289466	WDOQPBBIVMYLNX-XSDIEEQYSA-N	383.492	2.098	0	1	GEAF	
CCOCCCNC(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N2CCCC[C@@H]12	4563941	ASGQLHRVGCFUGN-QFBILLFUSA-N	390.480	2.339	0	3	GEAF	
Cc1ccccc1C(=O)NCCN1CCC2(CC1)C(=O)NCN2c1ccccc1	146593381	ZCNWUBFHEOGTOH-UHFFFAOYSA-N	392.503	2.153	0	3	GEAF	
Cc1ccc(CNc2nc(N)nc(-c3ccc(C[C@H](N)C(=O)O)cc3)n2)cc1C	45253908	HRGWGSMDYZDGGF-KRWDZBQOSA-N	392.463	2.304	0	1	GEAF	
COc1ccc(S(=O)(=O)NCc2ccccc2)cc1NC1CCNCC1	58602974	FRTYBUNTKNYZSV-UHFFFAOYSA-N	375.494	2.338	0	1	GEAF	
Cn1c(N2CCN[C@@H](c3ccc(Cl)cc3)C2)nc(-c2ccncn2)cc1=O	116773197	GOOSNFHJOVCMSO-QGZVFWFLSA-N	382.855	2.042	0	1	GEAF	
CC1(O)CN(C(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2)C1	200255595	LYEJHMDVDOTUHM-UHFFFAOYSA-N	397.456	2.242	0	1	GEAF	
O=C1N(CC2CCNCC2)CCN1c1n[nH]c2cnc(-c3cccnc3)cc12	205265223	LSQVHSIKEZMLQX-UHFFFAOYSA-N	377.452	2.262	0	1	GEAF	
O=C(c1ccccc1)c1cccc(/C=c2\nc(O)/c(=C/c3ccccn3)nc2O)c1	377805981	CDRIOEPHHOSTPX-SIBCGJTDSA-N	395.418	2.171	0	1	GEAF	
CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2c(O)nc(O)nc2[nH]1	586935090	CAHDMXLCJYEJND-JTQLQIEISA-N	397.844	2.093	0	1	GEAF	
O=S(=O)(NCc1ccco1)c1ccsc1-c1nc2ccnc(O)c2[nH]1	586945994	PEDWHLKMNOYQGW-UHFFFAOYSA-N	376.419	2.464	0	1	GEAF	
COc1ccc2c(c1O)NC(=O)CN=C2c1cc(OC)c(OC)c(N(C)C)c1	1857587660	JKASYRXVZFNIIH-UHFFFAOYSA-N	385.420	2.274	0	1	GEAF	
O=C(c1noc2ncnc(N3CCCC3)c12)N1CCN(c2ccccc2)CC1	9687988	FAVWGLROMRZVNO-UHFFFAOYSA-N	378.436	2.180	0	1	GEAF	
COc1ccc(-c2ccc3c(c2)C[C@@H](CNC(=O)CCn2ccc(C)n2)O3)nn1	14884263	XOWRGLCWAAQUGZ-KRWDZBQOSA-N	393.447	2.167	0	1	GEAF	
NC(=O)CCC(=O)N1CC[C@H](C2CCN(Cc3cccc(F)c3F)CC2)C1	14950039	CRFQPLMQPXPOOE-HNNXBMFYSA-N	379.451	2.291	0	1	GEAF	
COc1ccc([C@H]2Nn3c(C)nnc3S[C@@H]2C(=O)NCc2ccco2)cc1	20068827	WKKWVMLEMQVVRR-CVEARBPZSA-N	385.449	2.264	0	1	GEAF	
Cc1ccc(-n2nc(C)c3c(C(=O)NCCN4CCOCC4)cc(C)nc32)cc1	20579183	YVEZVQKZUFTEIS-UHFFFAOYSA-N	393.491	2.408	0	1	GEAF	
C[C@@H]1CSc2c(C(=O)O)c(=O)c3cc(F)c(N4CC[C@@H](N)C4)c(F)c3n21	63539364	BJABYARMBVPDHZ-HTQZYQBOSA-N	381.404	2.182	0	1	GEAF	
C[C@@H](NC(=O)c1coc(-c2ccc3ccccc3c2)n1)C(=O)N1CCNCC1	82083540	MBUOOSSEIOEUQO-CQSZACIVSA-N	378.432	2.045	0	1	GEAF	
CCc1ccc(OCCCCCC(=O)OC[C@H](O)[C@H]2OC(=O)C(O)=C2O)cc1	101072341	ZXMDXHNFTNHDDW-HNAYVOBHSA-N	394.420	2.345	0	1	GEAF	
c1cc(-c2n[nH]c3ccnc(NC4CCOCC4)c23)cc(N2CCOCC2)n1	114772821	QOUDVGHKRPBIKE-UHFFFAOYSA-N	380.452	2.447	0	1	GEAF	
C=C1C=C(C)[C@H](CC)OC(=O)[C@H](C)C(=O)[C@@](O)(CO)[C@@H](OC)C=C[C@@H](C)C1	253673377	QPAKKFXBRDOIDW-UUSHBHDWSA-N	380.481	2.350	0	1	GEAF	
COc1ccc(S(=O)(=O)N[C@H](c2nc3cncc(Cl)c3[nH]2)[C@@H](C)O)cc1	586938300	QAKROWGEIOKDNR-OTYXRUKQSA-N	396.856	2.020	0	1	GEAF	
CCCCOc1cc2nc(CNS(=O)(=O)NC)[nH]c2cc1Br	586942505	LTHJNQDDPDDEEM-UHFFFAOYSA-N	391.291	2.058	0	1	GEAF	
COc1cccc2[nH]c(-c3nn(CC(=O)O)cc3I)nc12	587186426	WFBBKEFHOBMPPJ-UHFFFAOYSA-N	398.160	2.124	0	1	GEAF	
COC(=O)c1cc([C@H]2N[C@H](C(=O)O)Cc3cc(F)ccc32)n(CC(C)C)n1	962923582	RGCKOOSWJAKZFD-YOEHRIQHSA-N	375.400	2.153	0	1	GEAF	
COCc1cc(C[C@@H]2CC[C@@H](O)[C@H](CNC(=O)Nc3ccc(F)cc3)O2)no1	2356287318	GUPPHIOFGROWIM-JQHSSLGASA-N	393.415	2.233	0	1	GEAF	
CCCCNC(=O)[C@H](NC(=O)c1ccc2c(c1)OCO2)C(=O)c1ccccc1	199243236	KWKWIPYZEWKIAJ-GOSISDBHSA-N	382.416	2.313	0	3	GEAF	
Cc1cc(=O)n2nc(N3CCC[C@H](C(=O)N[C@H]4CCCC[C@@H]4C)C3)sc2n1	253988980	AZWJXIVYDKJMKF-QEJZJMRPSA-N	389.525	2.371	0	3	GEAF	
COc1cc([C@@H]2Oc3ccc4ccc(=O)oc4c3O[C@@H]2CO)cc(OC)c1O	13400376	QLFQDIADUIVNRF-QAPCUYQASA-N	386.356	2.389	0	1	GEAF	biogenic
CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2ccc3oc(=O)[nH]c3c2)CC1	13819789	YXVPQTLPRNPREV-OAHLLOKOSA-N	393.509	2.396	0	1	GEAF	
CN(C(=O)OCCOc1ccc2c(c1)CN1CC(=O)NC1=N2)C1CCCCC1	26943408	YQRGHAWXKAIONB-UHFFFAOYSA-N	386.452	2.399	0	1	GEAF	
CN(CCN(C)c1ccccc1)C[C@H](O)COc1ccc2[nH]c(=O)ccc2c1	34066544	TZWMYWKHPKRONH-IBGZPJMESA-N	381.476	2.336	0	1	GEAF	
CN[C@H](C)[C@H]1CCN(c2cc3c(c(N)c2F)c(=O)c(C(=O)O)cn3C2CC2)C1	40466691	IREVOVMSSRKOJM-MNOVXSKESA-N	388.443	2.190	0	1	GEAF	
Cc1nn(-c2ccccc2)nc1CNC(=O)c1nnc(-c2ccccc2N)o1	43072530	WGDGUAJSKDGBIU-UHFFFAOYSA-N	375.392	2.138	0	1	GEAF	
C/C=C1/CN2CC[C@@]34C(=Nc5ccc(OC)cc53)[C@H]2C[C@@H]1[C@@]4(CO)C(=O)OC	103884341	JBFBTBFJYNNYPW-ICCSDMFOSA-N	382.460	2.225	0	1	GEAF	
O=C(O)[C@H]1C[C@@H]2Cc3[nH]ncc3[C@@H](C1)N2S(=O)(=O)c1ccc(Cl)cc1	114842919	VHYBDYCQPHDKSP-ZVWUFJHRSA-N	381.841	2.214	0	1	GEAF	
Cc1nc2c(F)cc(-c3cc(=O)n4cc(N5CCNCC5)ccc4n3)cc2o1	148418956	WJKKVBMVXUZLLP-UHFFFAOYSA-N	379.395	2.360	0	1	GEAF	
C[C@H](OC(=O)[C@@H](C)N1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@@H]2C1=O)[C@@H]1C[C@H]31)C(=O)c1ccccc1	169295209	PJEWTIDBYNHYEL-LWPNZFBKSA-N	393.439	2.243	0	1	GEAF	
COc1cc(-c2cn([C@@H]3C(=O)N[C@@H]4CC[C@@H]3C4)nn2)ccc1-n1cnc(C)c1	169727673	XFUQJGQSRHSODW-CLCXKQKWSA-N	378.436	2.287	0	1	GEAF	
COc1ccc(S(=O)(=O)N[C@H](c2nc3cc(F)cc(F)c3[nH]2)[C@@H](C)O)cc1	586938175	OPVROSYBCUKJLB-PSLIRLAXSA-N	397.403	2.250	0	1	GEAF	
CN(C)/C=C1/C[C@H](NC(=O)OC(C)(C)C)Cc2cc3c(O)nc(O)nc3nc21	587553056	FIOBQYZUWCQOIT-UCQJPZFISA-N	387.440	2.178	0	1	GEAF	
CNC[C@@]1(c2ccc(O)cc2)N[C@@H](C(=O)O)Cc2cc(OC(F)(F)F)ccc21	962624182	BGMNFSSFMSSVAX-AEFFLSMTSA-N	396.365	2.353	0	1	GEAF	
CN(C)C(=O)C1CCN(c2cnccc2-n2cc(Br)cn2)CC1	1857585306	AOSOCHGBCVQORG-UHFFFAOYSA-N	378.274	2.334	0	1	GEAF	
CCc1n[nH]c(C(=O)N2CCC[C@H](CNS(=O)(=O)c3cccs3)C2)c1C	12445452	JWINJAHWUXPOTM-CYBMUJFWSA-N	396.538	2.173	0	3	GEAF	
C[C@@H]1CCCCN1CCCNC(=O)Cn1[nH]cc2c3ccccc3nc-2c1=O	15962627	NWXHCCQGCDVJID-OAHLLOKOSA-N	381.480	2.210	0	3	GEAF	
Cc1c(F)c(N2CCN[C@H](C)C2)c(F)c2c1c(=O)c(C(=O)O)cn2C1CC1	13649769	GJJSZBAIPMVPLO-SECBINFHSA-N	377.391	2.419	0	1	GEAF	
N=C(N)NCc1ccc([C@@H]2CC/C(=C\I)OC2=O)cc1	13651070	HNGQAWXKSWVXIP-VNKGSWCUSA-N	385.205	2.367	0	1	GEAF	
COc1cc2nc(N(C)CCN(C)C(=O)c3ccco3)nc(N)c2cc1OC	27635661	IKHCTUWGTPNPTE-UHFFFAOYSA-N	385.424	2.031	0	1	GEAF	
NC1=NC(=O)/C(=C2\CCNC(=O)c3[nH]c4c(-c5ccccc5)csc4c32)N1	40420979	QKEJNUAYJXMJHM-UVTDQMKNSA-N	377.429	2.186	0	1	GEAF	
CC1(C)C=C(C(=O)NCCCNC(=O)CSc2ccccc2)C(C)(C)N1	40639906	SHEOQKBZJAVNKY-UHFFFAOYSA-N	375.538	2.488	0	1	GEAF	
O=C1CN(S(=O)(=O)c2ccc(C(F)(F)F)nc2)[C@@H](C2CC2)c2cn[nH]c21	49035840	JFPODFASUGTOCL-AWEZNQCLSA-N	386.355	2.162	0	1	GEAF	
CN(C)S(=O)(=O)c1ccc(Nc2nccn3c(-c4cnn(C)c4)cnc23)cc1	72107591	LNJWPNHPUQNKQN-UHFFFAOYSA-N	397.464	2.124	0	1	GEAF	
C/C=C/c1ccc([C@H]2[C@H](CO)N(C(=O)NCCC)[C@H]2CNC(=O)C2CC2)cc1	95894825	NJQPGASMIDWZCK-DIEYLWATSA-N	385.508	2.494	0	1	GEAF	
NS(=O)(=O)c1ccc(-c2nnc3sc(-c4ccc(F)cc4)nn23)cc1	103269642	YGPZEHFZOXHSQI-UHFFFAOYSA-N	375.410	2.306	0	1	GEAF	
COc1ccc(S(=O)(=O)c2nc3ccccc3nc2N2CCOCC2)cc1	169324541	MSJKICZOTUCRMI-UHFFFAOYSA-N	385.445	2.308	0	1	GEAF	
CCOc1ccccc1OCCN1CCN(CC(=O)Nc2nccs2)CC1	169345148	SVFCUWJNCAIRAA-UHFFFAOYSA-N	390.509	2.177	0	1	GEAF	
Cc1ncc([C@H](CNC(=O)c2c(F)cccc2Cl)N2CCOCC2)cn1	207640151	KPIIXHCZPWHMGP-INIZCTEOSA-N	378.835	2.381	0	1	GEAF	
CC(=O)N[C@@H](CSCc1ccccc1)c1nc2[nH]c(=N)[nH]c(Cl)c-2n1	586972188	DMGZKJVJJPYVFJ-NSHDSACASA-N	376.873	2.481	0	1	GEAF	
Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2ccc(S(N)(=O)=O)cc2[nH]1	587116621	JMTZLAHWWPCSAP-UHFFFAOYSA-N	379.751	2.283	0	1	GEAF	
COc1cc2c3c(c1)O[C@@H](c1ccc(OCc4nnnn4C)cc1)[C@@H](C2)C3=O	587435593	GWNHALNZWCBZLU-YWZLYKJASA-N	378.388	2.286	0	1	GEAF	
C[C@H]1C[C@H]2CSC(=N)N[C@@]2(c2nc(NC(=O)c3ncccn3)cs2)CO1	1772604680	QYAIWFZNAKNPKY-PUTJDCORSA-N	390.494	2.077	0	1	GEAF	
CC(C)(C)CC(=O)N[C@@H]1[C@H](c2cccs2)N(S(C)(=O)=O)CC[C@]1(C)O	2356304591	SUQNHRMNMJQLNP-UXLLHSPISA-N	388.555	2.127	0	1	GEAF	
CC[C@H](C)C(=O)O[C@@H]1CC(C(=O)OC)=C[C@H](OC(C)=O)[C@@H]1OC(=O)[C@@H](C)CC	2356417803	MUTKUWKXVNNJTE-XBJNOIPFSA-N	398.452	2.337	0	1	GEAF	
O=C(NCc1cccs1)[C@H]1[C@H]2C=C[C@@]3(CN(Cc4ccccc4)C(=O)[C@H]13)O2	263590775	PFPSQZVMULVZSN-WKRCXCSHSA-N	380.469	2.347	0	3	GEAF	
O=C(NC[C@@H]1CCCO1)C1CCN(c2ncnc3c2nc2n3CCCCC2)CC1	6936558	UAPLFJIPKIZYKG-INIZCTEOSA-N	398.511	2.064	0	1	GEAF	
C[C@@H]1CN(c2c(F)cc3c(=O)c(C(=O)O)c4scc5n4c3c2OC5)CCN1	13650209	VSLPFSLQYWOHBD-MRVPVSSYSA-N	389.408	2.042	0	1	GEAF	
CN(NS(=O)(=O)c1ccc2ccccc2c1)S(=O)(=O)c1ccccc1	26247099	KIGGCMUDXNDPEZ-UHFFFAOYSA-N	376.459	2.354	0	1	GEAF	
CCCC(=O)NC[C@H]1CN(c2cc(F)c3c(c2)OC[C@@H]2CCCN32)C(=O)O1	27324541	VEZQJXOHJBCZNZ-JSGCOSHPSA-N	377.416	2.428	0	1	GEAF	
COc1c(F)c(N2CC[C@@H](N)C2)c(Cl)c2c1c(=O)c(C(=O)O)cn2C1CC1	27525319	CIVPBVMKDMHQEH-MRVPVSSYSA-N	395.818	2.373	0	1	GEAF	
C[C@H]1CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C(C)(C)C)CCN1C	28764819	IMPXTCIWIILKMQ-NSHDSACASA-N	376.432	2.129	0	1	GEAF	
CCCC(=O)NC1CCN(CCOC(=O)c2cc(Cl)c(N)cc2OC)CC1	40423889	AZVUGSUSUNWNLG-UHFFFAOYSA-N	397.903	2.468	0	1	GEAF	
NC(=O)CC[C@H](NC(=O)c1cc2ccccc2cn1)C(=O)OCc1ccccc1	71331254	FXHKVDDRKSTCDL-SFHVURJKSA-N	391.427	2.342	0	1	GEAF	
CCOC(=O)N1CCC(Nc2nc(N3C[C@@H](C)O[C@H](C)C3)ncc2C)CC1	82204213	KLNUAXYNMVRPFX-HUUCEWRRSA-N	377.489	2.431	0	1	GEAF	
O=C1C(=O)N(CCN2CCOCC2)[C@H](c2ccccc2)[C@H]1C(=O)c1cccs1	110684240	SKNWNDQUULIBLE-ZWKOTPCHSA-N	398.484	2.032	0	1	GEAF	
Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4ccccc4-c4ncn[nH]4)C[C@@H]3C2)n1	116823192	NYDBXNHNMPHNGA-HZPDHXFCSA-N	389.463	2.087	0	1	GEAF	
C[C@H](c1nc2c(cnn2C2CCCC2)c(=O)[nH]1)N1CC(Cc2cncnc2)C1	116981976	UCINOQOQKMLJEM-CYBMUJFWSA-N	379.468	2.260	0	1	GEAF	
C/C=C1/CN2CC[C@]34c5cc(O)ccc5N(C)[C@]35OC[C@]4(C(=O)OC)[C@H]1C[C@H]25	137055007	YILKZADAWNUTTB-IZJFKAFWSA-N	382.460	2.020	0	1	GEAF	in-vivo
CN(CCO)C(=O)COc1ccc2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2	144824082	MFAJOCQARYZIDU-SFHVURJKSA-N	381.350	2.295	0	1	GEAF	
Cn1cc(-c2ccc3[nH]nc(-c4cc(N5CC[C@H](CO)C5)ncn4)c3c2)cn1	225557765	HUVIKCCWTMVFRL-ZDUSSCGKSA-N	375.436	2.239	0	1	GEAF	
NC(=O)CNS(=O)(=O)c1cccc(-c2nc3cc(Cl)cc(Cl)c3[nH]2)c1	586936012	LZBYOYSZINQJFA-UHFFFAOYSA-N	399.259	2.300	0	1	GEAF	
COc1ccc(S(=O)(=O)N[C@@H](c2nc3ccc(F)cc3[nH]2)[C@H](C)O)cc1	586939278	SSEIDZBWHNABSA-MGPLVRAMSA-N	379.413	2.111	0	1	GEAF	
CC[C@H](c1nc2c(O)ncnc2[nH]1)n1cc(I)c(C)n1	587185340	RZKIWWXIRJBYMU-MRVPVSSYSA-N	384.181	2.167	0	1	GEAF	
Cc1ccc(N2N=C(C(=O)O)[C@]3(CC2=O)NCCc2c3c(C(C)C)nn2C)cc1	962921944	PJLNQMLSUIQQHU-OAQYLSRUSA-N	395.463	2.070	0	1	GEAF	
C[C@@H]1Oc2ccccc2C=C1[C@@H]1c2[nH]cnc2C[C@H]2C(=O)N3CCC[C@H]3C(=O)N21	963224655	SKSMYNQOEQYHHV-NHMRUBIDSA-N	390.443	2.073	0	1	GEAF	
C[C@@]1(CO)CN(Cc2ccccc2)C[C@H]2CN(C(=O)c3ccccc3)CCN21	2356343702	SGEJPTCNJXWDME-GMAHTHKFSA-N	379.504	2.080	0	1	GEAF	
O=C(O)C(=O)Nc1sc2c(c1C(=O)O)CCN(CCc1ccsc1)C2	13491489	CBTPRKSTOHLZKW-UHFFFAOYSA-N	380.447	2.132	0	1	GEAF	
CCCCNCc1ccc(S(=O)(=O)c2csc(S(N)(=O)=O)c2)cc1	13727894	UEMMVUCCPSZNNU-UHFFFAOYSA-N	388.536	2.118	0	1	GEAF	
CCc1nn([C@@H]2CCS(=O)(=O)C2)c2c1CCN(c1cccc(OC)c1)C2=O	13779816	LSARSGAQJQDEIH-CQSZACIVSA-N	389.477	2.017	0	1	GEAF	
CCOC(=O)/C=C/CNC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C	33841142	SCALKQFCRKPIFW-YHVDPYDOSA-N	376.453	2.358	0	1	GEAF	
COC(=O)Cn1c(=O)c(NCC2CCCCC2)c2n(c1=O)[C@@H]1CCCC[C@H]1N2	82205853	HPKJGQUGIQIMEH-HUUCEWRRSA-N	390.484	2.084	0	1	GEAF	
O=C(N[C@H]1CC[C@@H](CCn2cc(C3CCCC3)nn2)O[C@@H]1CO)c1cccnc1	95797003	JAHQNXWPFXREPC-CMKODMSKSA-N	399.495	2.059	0	1	GEAF	
NC(=O)c1ccccc1NC(=O)CN1C(=O)S/C(=C/c2ccc(O)cc2)C1=O	103296413	PYPAURUOEGOSBP-OQLLNIDSSA-N	397.412	2.166	0	1	GEAF	
CCc1cnn2c(NCc3ccc[n+](O)c3)cc(N3CCCC[C@H]3CCO)nc12	103522275	WBUFFOKXERTKGU-SFHVURJKSA-N	397.503	2.170	0	1	GEAF	in-vitro
Cn1c(N2CCN[C@@H](c3ccccc3Cl)C2)nc(-c2ccncn2)cc1=O	116829408	KVRJKGWDFPCQNH-QGZVFWFLSA-N	382.855	2.042	0	1	GEAF	
COC(=O)C1=CNC[C@H]2[C@@H]1C[C@H](OC(=O)c1cnc(C)c3cnccc13)[C@@H]2C	143780350	UUUVDTPLNZNLMK-CEMCJKAASA-N	381.432	2.396	0	1	GEAF	
CC(C)NC[C@H](O)COc1cc2c(cc1OC[C@H](O)CNC(C)C)CCCC2	168364104	FNONAOHPLDQXBT-BGYRXZFFSA-N	394.556	2.041	0	1	GEAF	
CNS(=O)(=O)N1CCC(c2nc3ccc(F)c(Br)c3[nH]2)CC1	586954633	LVMVLNVOPKTDCT-UHFFFAOYSA-N	391.266	2.108	0	1	GEAF	
COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2cc(OC)c(C(=O)OC)cc2[nH]1	587231821	RGLSECXHSUYPSG-CHWSQXEVSA-N	389.452	2.395	0	1	GEAF	
CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)N(C(C)C)C[C@@H]1C(=O)OCC	587474352	FJEJSHWDQFBTPL-QVKFZJNVSA-N	389.448	2.479	0	1	GEAF	
COC(=O)C[C@@]1(C(OC)OC)N[C@H](C)Cc2cc(Br)c(F)cc21	587789778	DKSXAUOEURKQFE-JDNHERCYSA-N	390.249	2.500	0	1	GEAF	
c1ccc2c(c1)nnn2Cn1c[n+](Cn2nnc3ccccc32)c2ccccc21	653696875	QYJVJXAEEROTDH-UHFFFAOYSA-N	381.423	2.430	0	1	GEAF	
CCOC(=O)C1=NN(c2ccccc2)C(=O)C[C@]12NCCc1c(C)ccnc12	963078008	VWYSDRDMLWHPQA-OAQYLSRUSA-N	378.432	2.087	0	1	GEAF	
Nn1c(Cc2ccccc2)nnc1SCC(=O)Nc1nc2ccccc2[nH]1	1857753618	ASEWIVBNOFCDNF-UHFFFAOYSA-N	379.449	2.190	0	1	GEAF	
O=C(Nc1ccc(F)cc1)N[C@@H]1[C@H]2CO[C@@H](O2)[C@@H](n2cnc3ccccc32)[C@@H]1O	2356297192	PTLBYZBTQGUEIF-FQBWVUSXSA-N	398.394	2.023	0	1	GEAF	
C[C@@H]1OC=C(C(=O)O)[C@@H]2C[C@@H]3c4[nH]c5ccc(O)cc5c4C[C@@H](C(=O)O)N3C[C@H]12	2356408194	XCHQOAXKIOZNDD-ZFVIFMMYSA-N	398.415	2.249	0	1	GEAF	
COc1c2c(cc3c1[C@H](O)[C@@H]1COC(=O)[C@H]1[C@H]3c1ccc3c(c1)OCO3)OCO2	2356439887	GTFKUBXSHHHPRX-YJXLDUANSA-N	398.367	2.121	0	1	GEAF	
CC[C@@H]1OC(=O)[C@H](C)[C@H](O)[C@H](C)C(=O)[C@H](C)C[C@H](C)C(=O)[C@H](C)[C@@H](O)[C@H]1C	2356655334	BFPPCOBUKUWWOH-FGYSJWFQSA-N	384.513	2.389	0	1	GEAF	
CC(C)(C)c1nccc(C[C@@H]2[C@H](NC3Cc4ccccc4C3)C[C@@H](O)[C@H]2CO)n1	2356716470	NLKWBQVYMKTMOF-FNAHDJPLSA-N	395.547	2.432	0	1	GEAF	
COC(=O)c1cc(Br)cnc1N1CCC(NC2CCOCC2)CC1	169303862	AEJRXZAXGRDVEN-UHFFFAOYSA-N	398.301	2.368	0	3	GEAF	
Cc1ccc(NC(=O)[C@H]2[C@@H]3C(=O)N(Cc4cccnc4)C[C@@]34C=C[C@H]2O4)cc1	169364469	KKELNQXQWMMKDJ-YXTQBTIXSA-N	375.428	2.311	0	3	GEAF	
COc1ccc(C(=O)Nc2ccccc2NC(=O)[C@@H]2CCCN(C(=N)N)C2)cc1	13558005	VPPQEUFZQMBOCU-OAHLLOKOSA-N	395.463	2.491	0	1	GEAF	
CC[C@H]1N[C@]2(C(=O)N(C)c3ccccc32)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]12	33713344	KFJRSLWMRDVZGK-LDQAXMLRSA-N	389.455	2.042	0	1	GEAF	
COC[C@H](O)COc1ccc(C(C)(C)c2ccc(OC[C@@H](O)CO)cc2)cc1	71318632	GCLSCNOGXASPBH-OALUTQOASA-N	390.476	2.131	0	1	GEAF	biogenic
COc1cc2nc(NCCCCO)nc(NC[C@H]3CCCO3)c2cc1OC	82119777	QOJWVTUVAXYJHE-CYBMUJFWSA-N	376.457	2.422	0	1	GEAF	
C/C=C/c1ccc([C@@H]2[C@H](CO)N(CC3CC3)C23CN(S(=O)(=O)CC)C3)cc1	95667376	ABJBORQRFBZDAM-NFICYJJRSA-N	390.549	2.294	0	1	GEAF	
C/C=C/c1ccc2c(c1)O[C@H](CN(C)C)[C@H](C)CN([C@@H](C)CO)S2(=O)=O	95711447	KDXLDHVMUOGHJB-JUGSEQIOSA-N	382.526	2.050	0	1	GEAF	
O=C(Cc1ccccc1)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)C1CC1	95893281	HGGQDUDEIVKXDI-JAXLGGSGSA-N	376.456	2.341	0	1	GEAF	
CCCNC(=O)c1ccc(NC(=O)N2Cc3ccc([C@H](O)CO)cc3C2)cc1	166163102	FOGQTHGKIIAZLN-LJQANCHMSA-N	383.448	2.400	0	1	GEAF	
NCCc1cn(C(=O)c2ccc(NC(=O)N3Cc4ccncc4C3)cc2)cn1	166911292	WTMHNLFWCAHKLX-UHFFFAOYSA-N	376.420	2.016	0	1	GEAF	
C[C@@H]1C[C@@H]2OC(=O)[C@@H]3CCC[C@]([C@@H]4C(=O)O[C@H](c5ccoc5)[C@H]4O)(O1)[C@]23C	238739209	PSFXEAJPVCTVJM-XEGXRNGYSA-N	376.405	2.134	0	1	GEAF	
COc1cc(-c2oc3c(OC)c(O)cc(O)c3c(=O)c2O)cc(O)c1OC	238767015	ZDLUAUIOWPHFGE-UHFFFAOYSA-N	376.317	2.308	0	1	GEAF	
COC(=O)c1ccc2nc(CNS(=O)(=O)c3ccc(F)c(F)c3F)[nH]c2c1	587134663	UJKBXWBLLUHMJV-UHFFFAOYSA-N	399.350	2.245	0	1	GEAF	
COc1cc2c3c(c1)O[C@H]([C@H]1COCCN1C(=O)OC(C)(C)C)[C@@H](C2)C3=O	587436901	UZCIIKIIAOTOIO-IYOUNJFTSA-N	375.421	2.447	0	1	GEAF	
COc1cccc(F)c1OC1CN(S(=O)(=O)c2ccc3c(c2)OCO3)C1	1857654198	LTRUKCWQXIKGMF-UHFFFAOYSA-N	381.381	2.015	0	1	GEAF	
Nn1c(Cc2ccccc2)nnc1SCC(=O)Nc1nc2ccccc2o1	1857761928	AOJHYCOTERWSHI-UHFFFAOYSA-N	380.433	2.455	0	1	GEAF	
CC=C(C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(O)C[C@@H]2CCC[C@@H](C(=O)O)[C@]21C	2356411749	XZBCMOCFJJECSB-ILTTXVPNSA-N	378.421	2.337	0	1	GEAF	
O=C(C1=NO[C@]2(C1)C(=O)N(Cc1ccccc1)c1ccccc12)N1CCOCC1	95605664	WTDGKJINHNNHGQ-QFIPXVFZSA-N	391.427	2.064	0	3	GEAF	
CCN1C(SCC(=O)NC[C@@H]2CCCO2)=NN/C1=C1\C=Nc2ccccc21	104013188	WFYLBUSRXXTTTJ-VLFBTDHHSA-N	385.493	2.296	0	3	GEAF	
CCOC(=O)C1=NO[C@@](C(=O)NC2CCCC2)(C(=O)c2ccc(OC)cc2)C1	203474095	LWRWKXCKSKUIIW-HXUWFJFHSA-N	388.420	2.015	0	3	GEAF	
CN1CCN(c2cc3c(cc2N)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2)CC1	29408075	QIZSQOWGMDWKLH-UHFFFAOYSA-N	396.422	2.162	0	1	GEAF	
COc1ccccc1[C@H](CC(=O)O)NC(=O)c1cc(=O)n(-c2ccccc2F)[nH]1	95556360	FYWIDMUFZJDGBW-AWEZNQCLSA-N	399.378	2.259	0	1	GEAF	
COCCN(C[C@@H]1[C@@H](c2ccccc2)[C@H](CO)N1C(C)=O)C(=O)c1ccccc1	95895314	QAESFJNZMCYAIN-BHIFYINESA-N	396.487	2.151	0	1	GEAF	
COC(=O)C1=C[C@@H]2C3=C(N4CCOCC4)c4ccccc4N(C)C3=N[C@@H]2C=C1	98085284	DZGFIACXEOQLFQ-DLBZAZTESA-N	377.444	2.246	0	1	GEAF	
Cc1c(Cc2ccccc2S(=O)(=O)c2ccccc2)c(O)nn1CC(=O)O	103237998	UVTPURGPGZMHDB-UHFFFAOYSA-N	386.429	2.405	0	1	GEAF	
O=C(O)/C=C\C(=O)Nc1ccc(CCN2C(=O)C[C@H](c3ccccc3)C2=O)cc1	169332917	IGUFJJKPYMNKSM-RXQFDZFGSA-N	392.411	2.351	0	1	GEAF	
CC[C@@H]1[C@H]2OC(=O)[C@@](C)(O)[C@H]2[C@@H]2CCCN3[C@H]([C@@H]4C[C@H](C)C(=O)O4)CC[C@H]3[C@@H]12	255259508	PMKAPBDTZVDGSB-VWXKGAOLSA-N	391.508	2.130	0	1	GEAF	
C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc(Cl)nc(Cl)c2[nH]1	586940265	YLFYWVBNHULRNB-LURJTMIESA-N	375.241	2.038	0	1	GEAF	
O=C(N[C@H](Cc1nc2cc3cn[nH]c3cc2[nH]1)C(=O)O)OCc1ccccc1	587208089	YTUJWKDPOSVKJP-MRXNPFEDSA-N	379.376	2.361	0	1	GEAF	
CC1=C(c2ccc3nc(-c4ccc(CC(=O)O)c(N)c4)[nH]c3c2)NNC(=O)C1	587249301	GAUHFGFYRKWURZ-UHFFFAOYSA-N	377.404	2.195	0	1	GEAF	
COc1ccc(C2CN(C(=O)C[C@@H]3CCN(C#N)C3)C2)cc1-c1cnn(C)c1	1857590663	QQUMGYBAAANUTG-HNNXBMFYSA-N	379.464	2.215	0	1	GEAF	
C[C@@H]1O[C@H](Oc2ccc3c(=O)c(-c4ccc(O)cc4)coc3c2)C[C@@H](O)[C@@H]1O	2356828620	IJFAWAIJDFHSKQ-GUDLYQINSA-N	384.384	2.401	0	1	GEAF	
COc1cccc2c1N[C@@]1(C)c3cc4c(cc3-n3nncc3CN1C2=O)OCO4	206036892	VHPVFRYPFJSUCO-HXUWFJFHSA-N	391.387	2.259	0	3	GEAF	
CN1CCN(CC(=O)Nc2cc(-c3nccs3)nc(-c3ccco3)n2)CC1	23360508	NPNLXWRCDBORLG-UHFFFAOYSA-N	384.465	2.046	0	1	GEAF	
CN(C)S(=O)(=O)CCCn1c2c(c3cc(S(C)(=O)=O)ccc31)CCCC2	95574437	FZLCUDHROXCSKR-UHFFFAOYSA-N	398.550	2.205	0	1	GEAF	
CC[C@@]12C[C@@H](C(=O)OC)C3=Nc4cc(OC)ccc4[C@@]34CCN(CCOC1=O)[C@@H]24	169352313	LYQOBPCMGRGFKT-DRYCXKJXSA-N	398.459	2.240	0	1	GEAF	
O=C(NCc1ccco1)N1CCn2c(c(O)n([C@H]3C[C@@H]3c3ccccc3)c2=O)C1	169724973	VYCJAYFIXWKOHI-SJORKVTESA-N	394.431	2.402	0	1	GEAF	
CC[C@@]12CC(C(=O)OC)=C3Nc4cc(OC)ccc4[C@@]34CCN(C[C@@H]3O[C@@H]31)[C@H]24	238748505	YKTXUUJZENEUGL-PVBJTCARSA-N	382.460	2.441	0	1	GEAF	
N[C@@H](CP(=O)(O)O)c1nc2cc(Br)c(Br)cc2[nH]1	586921195	ACBPFHOZGSWCOZ-LURJTMIESA-N	398.979	2.265	0	1	GEAF	
O=C(N[C@H](Cc1nc2cc3c(cc2[nH]1)OCCO3)C(=O)O)OCc1ccccc1	587202109	FNNIHNSCXGLLKK-OAHLLOKOSA-N	397.387	2.256	0	1	GEAF	
CCC[C@@H](C(=O)OCC)[C@]1(C(=O)OCC)c2ccsc2CCN1C(N)=O	962720887	YHYONENNJMHKCK-UGSOOPFHSA-N	382.482	2.423	0	1	GEAF	
CCOC(=O)[C@@H]1Cc2cc(C)ncc2[C@@]12N[C@H](C(=O)O)Cc1cc(F)ccc12	962897816	LJVIHFBXFMXZRY-MDKPJZGXSA-N	384.407	2.107	0	1	GEAF	
COc1cccc(CN[C@@H]2[C@H](c3ccc(C(F)(F)F)nc3)C[C@@H](O)[C@H]2O)c1	2356286563	FTSDYEISOLXJEW-BURFUSLBSA-N	382.382	2.477	0	1	GEAF	
COC(=O)CCCC=CC[C@@H]1C(=O)C[C@H](O)[C@@H]1C=C[C@H](O)CCC[C@@H](C)O	2356330823	BDWABOZEWSSNDO-NUABRCLCSA-N	382.497	2.310	0	1	GEAF	
C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2C[C@@H](O)[C@]2(C)[C@@H](C3=CC(=O)NC3)CC[C@@]12O	2356737283	IBMKZSHPOYLMEB-VXSBHOQESA-N	389.536	2.148	0	1	GEAF	
COc1ccc2ccccc2c1CNC(=O)C[C@H]1C(=O)NCCN1CC(C)C	13593981	CWAHJAYQHOZAFR-IBGZPJMESA-N	383.492	2.311	0	3	GEAF	
COc1ccc(-n2c(-c3ccc(S(N)(=O)=O)cc3)coc2=O)cc1Cl	585786	HAHUTJAVRAAKRI-UHFFFAOYSA-N	380.809	2.407	0	1	GEAF	
COc1cc(OC)cc(C(=O)Nc2c3c(nn2C(C)(C)C)CS(=O)(=O)C3)c1	3008421	RUGIAOKEBWSBKU-UHFFFAOYSA-N	393.465	2.336	0	1	GEAF	
Cc1c(N2CC[C@H](n3ccnn3)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12	6520883	KXWMIWIQDISMNO-ZDUSSCGKSA-N	397.410	2.366	0	1	GEAF	
CCCCn1cc([C@@]2(c3cccc(-c4cncnc4)c3)N=C(N)N(C)C2=O)cn1	34803425	CRGYAUNBGVFARQ-OAQYLSRUSA-N	389.463	2.171	0	1	GEAF	
CC(=O)Nc1cc(-c2cc(N3CCOCC3)ccn2)nc(-n2nc(C)cc2C)n1	40423220	IGPZAROLAAZMAV-UHFFFAOYSA-N	393.451	2.136	0	1	GEAF	
C[C@H]1CN(c2cc(N(CCO)Cc3cccc4ccccc34)nc(=O)[nH]2)CCO1	95552826	KXFCSDGILURUCG-INIZCTEOSA-N	394.475	2.147	0	1	GEAF	
Cc1ccc(S(=O)(=O)N2N=Cc3cc4c(cc3B2O)-c2ccccc2C4)cc1	195138059	ZAGMIWVXJYZUAK-UHFFFAOYSA-N	388.257	2.292	0	1	GEAF	
CC[C@]12C=CCN3CC[C@]4(c5ccc(OC)cc5N(C)[C@@H]4[C@@](O)(C(=O)OC)C1)[C@@H]32	238747078	WNKDGPXNFMMOEJ-UUWFGAOWSA-N	398.503	2.100	0	1	GEAF	
Cn1c(=O)ccn(Cc2ccccc2OCC(=O)Nc2cccc(Cl)c2)c1=O	299855020	CJUAZIFXYAWWMK-UHFFFAOYSA-N	399.834	2.266	0	1	GEAF	
Cc1cc(S(N)(=O)=O)ccc1OCc1nc2cc3c(cc2[nH]1)OC(F)(F)O3	586929432	CBMYYCMSTHNFHI-UHFFFAOYSA-N	397.359	2.419	0	1	GEAF	
CCOc1n[nH]c(-c2nc3ccc(-n4cnnn4)cc3[nH]2)c1Br	586980157	ONAHZHKRKCBXMJ-UHFFFAOYSA-N	375.190	2.090	0	1	GEAF	
Cc1c(F)ccc2nc(-c3nc(O)nc(O)c3I)[nH]c12	587182247	NKIISJVYDQSPIZ-UHFFFAOYSA-N	386.124	2.483	0	1	GEAF	
C=CC(=O)N1CCC[C@@H](Nc2ncnc(N)c2C(=O)c2ccc(OCC)cc2)C1	653834980	RUANQTGPHBONMY-OAHLLOKOSA-N	395.463	2.277	0	1	GEAF	
CC1CCN(S(=O)(=O)N2CCC(C(=O)N[C@@H]3CCCC[C@H]3C)CC2)CC1	3060415	KOGWKBXIWAUGPT-SJLPKXTDSA-N	385.574	2.370	0	1	GEAF	
CCc1nc(N)nc(N)c1-c1ccc2c(c1)N(CCCOC)C(=O)C(C)(C)O2	14966322	WPAPODFGOZXFLG-UHFFFAOYSA-N	385.468	2.411	0	1	GEAF	in-vivo
COc1c(O)cc2c(c1O)C(=O)O[C@@H](C)[C@@H]2c1c(O)cc(O)cc1CC(C)=O	31165338	WWRKPZJOLNCLEL-VFZGTOFNSA-N	388.372	2.340	0	1	GEAF	biogenic
Cc1cc(C(=O)N2CCc3[nH]cnc3[C@@H]2c2ccc(-n3cncn3)cc2)no1	70725326	MZLPFFATPDTPQH-SFHVURJKSA-N	375.392	2.075	0	1	GEAF	
CN1CC2(CNC(=O)c3c2[nH]c2c3CCc3cnc(-c4ccccc4F)nc3-2)C1	72107305	WZCAUTBYHZBYBT-UHFFFAOYSA-N	389.434	2.303	0	1	GEAF	
COc1cc(-c2cn([C@H]3C(=O)N[C@H]4CC[C@@H]3C4)nn2)ccc1-n1cnc(C)c1	84596718	XFUQJGQSRHSODW-ZRGWGRIASA-N	378.436	2.287	0	1	GEAF	
CCCC(=O)OCOP(=O)(CCCN(O)C=O)OCOC(=O)CCC	84604933	MLPZCEZQVSWPOM-UHFFFAOYSA-N	383.334	2.052	0	1	GEAF	
COC(=O)[C@@H]1CCC[C@@H]2[C@@](C)(C[C@@H](O)C3=CC(=O)OC3)[C@H](C)C[C@H](O)[C@@]12C	95909386	BDMPRXRGZXNSLR-GNWMIGJSSA-N	380.481	2.223	0	1	GEAF	biogenic,in-vitro
CC[C@@]1(C)NC(=O)c2cc(S(=O)(=O)NCc3ccccc3)ccc2NC1=O	96269449	QQMKUNLVYFAXPW-LJQANCHMSA-N	387.461	2.016	0	1	GEAF	
NC(=O)c1csc(NC(=O)N2CCC(N3CCc4ccc(F)cc43)CC2)n1	103241476	BLQYUZLBNKYNMB-UHFFFAOYSA-N	389.456	2.440	0	1	GEAF	
C/C=C1/CN(C)CC[C@]23C(=O)C[C@@H]1[C@H]1CO[C@@H](OC)C(=O)N(c4ccccc42)[C@@H]13	238740255	MHRUSPYZNNVVHC-IYQADDFJSA-N	396.487	2.129	0	1	GEAF	
CS(=O)(=O)CC(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O	587659176	YUNHCOXKYZKUBS-UHFFFAOYSA-N	378.356	2.027	0	1	GEAF	
COc1cc2c(cc1OS(N)(=O)=O)NC(=O)N(Cc1cccc(Cl)c1)C2	1772640711	USLAKXOUSLQTMC-UHFFFAOYSA-N	397.840	2.479	0	1	GEAF	
COc1cc(N2CCN[C@@H](C)C2)ccc1C(=O)Nc1cn2cc(C)nc2cn1	1772657693	AVDARZNYXWSMBW-ZDUSSCGKSA-N	380.452	2.097	0	1	GEAF	
C[C@@H]1OC(c2ccccc2O)=N[C@@H]1C1=N[C@@H](C2=N[C@@H](C(=O)O)CS2)CS1	2356453845	OFLSZRFPWRAFSU-WHIUSJLISA-N	391.474	2.039	0	1	GEAF	
CCOC(=O)CSC1=N/C(=C\c2cc(OC)c(OC)c(OC)c2)C(=O)N1C	7043192	SYJIJDWVDIGIKU-GHXNOFRVSA-N	394.449	2.178	0	3	GEAF	
COc1c(F)c(N2CC[C@H](N)C2)c(Cl)c2c1c(=O)c(C(=O)O)cn2C1CC1	27525321	CIVPBVMKDMHQEH-QMMMGPOBSA-N	395.818	2.373	0	1	GEAF	
NC(=O)c1cc(-c2ccc(F)cc2)cc(-c2ccc(S(N)(=O)=O)cc2)c1N	28703754	JQFFORXNDDEBAU-UHFFFAOYSA-N	385.420	2.488	0	1	GEAF	
FC(F)(F)c1cc([C@@H]2CNCCNCCNCCN2)cc(C(F)(F)F)c1	29126206	WJAMTONEHDHPCW-AWEZNQCLSA-N	384.368	2.137	0	1	GEAF	
CN1CCN(c2cc(-c3ccc(I)cc3)nc(N)n2)CC1	40949707	BAYLIQRBSWHOFX-UHFFFAOYSA-N	395.248	2.082	0	1	GEAF	
O=C(C1CCC1)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2Cc1nccs1	95864473	FOGZHRWNUGWZRX-MJGOQNOKSA-N	383.517	2.485	0	1	GEAF	
CN1C[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@]12C(=O)Nc1ccc(Cl)cc12	102930114	DILGOMWLIDDFQA-GQWAEJPESA-N	381.819	2.239	0	1	GEAF	
CC[C@@]1(C(=O)OC)N[C@H](c2ccco2)[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21	169304309	DTNZJRSIQGJGHG-BZLDKRAPSA-N	382.416	2.360	0	1	GEAF	
CC(C)NC[C@@H](O)COc1ccc(CNC(=O)C(C)C)cc1Br	169335451	NNQYREYQGFOKGM-CQSZACIVSA-N	387.318	2.459	0	1	GEAF	
COCCOc1n[nH]c2cc(NC(=O)N[C@H](COC)c3ccccc3)ncc12	209384499	GVQAWIRBPFLXTH-MRXNPFEDSA-N	385.424	2.492	0	1	GEAF	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H](C)N1CCOCC1	587869702	NJVLVAZAFSCIFW-NSHDSACASA-N	384.358	2.333	0	1	GEAF	
O=C(CN1CCN(c2ncccn2)CC1)n1nc2cc1Oc1ccc(F)cc1-2	587874784	BXXVETNYWJCUKF-UHFFFAOYSA-N	380.383	2.047	0	1	GEAF	
CC[C@@]1(C)CC(=O)N(CC(=O)N2CCN(c3ccc(Cl)cc3)CC2)C1=O	653728668	HROLPHAUJSPMQU-IBGZPJMESA-N	377.872	2.164	0	1	GEAF	
CN(C)c1ccc(Nc2ncc3c(n2)n(C2CCCC2)c(=O)c2nnnn23)cc1	1857545634	WBCIXWLUHLPCSR-UHFFFAOYSA-N	391.439	2.154	0	1	GEAF	
C[C@H]1CCc2cc(F)cc3c(O)c(C(=O)NCc4ccc(=N)[nH]c4)c(=O)n1c23	1857568508	PYZGIOJRQUALLF-JTQLQIEISA-N	382.395	2.091	0	1	GEAF	
COc1cccc2c(-c3ccccc3)cc(=O)n(Cc3nnc(S)n3N)c12	1857575161	WGYLPMWIWOBRLM-UHFFFAOYSA-N	379.445	2.319	0	1	GEAF	
Cn1cc(CNC(=O)c2csc(CCNCc3nc4ccccc4[nH]3)n2)cn1	1857601878	LTZXLDUDCSKXHS-UHFFFAOYSA-N	395.492	2.015	0	1	GEAF	
CCCCCC(=O)O[C@H]1C[C@@](C)(O)[C@H]2CC[C@@](C)(C=C3OC(=O)C(CO)=C31)O2	2356379953	MGPYQXSGMJBBSY-LXDRIQHSSA-N	394.464	2.301	0	1	GEAF	
COC(=O)C1=CCC[C@@H]2[C@]1(CO)CC[C@H](C)[C@@]2(C)CCC1=C[C@H](O)OC1=O	2356564767	BYFSMZRCILPVAM-FWBHBRCSSA-N	378.465	2.493	0	1	GEAF	
COCC(=O)N[C@@H]1[C@H](c2cccs2)N(C(=O)C2CCCCC2)CC[C@]1(C)O	2356735493	DAETYFYLNIUSPG-NSHGMRRFSA-N	394.537	2.484	0	1	GEAF	
Cc1ccc(S(=O)(=O)NC[C@@H]2C[C@H]3CCN2C[C@H]3CN2CCCC2)cc1	2356828753	IKRYLIKKYBXONJ-QRVBRYPASA-N	377.554	2.080	0	1	GEAF	
COc1cccc(NC(=O)N[C@@H]2C[C@@H](c3nc(-c4cncnc4)no3)N(C)C2)c1	2356834083	JZGJXYMMCYKXIQ-ZBFHGGJFSA-N	395.423	2.102	0	1	GEAF	
O=C(C=Cc1ccccc1)O[C@H]1[C@H]([C@H](O)c2ccccc2)O[C@H]2CC(=O)O[C@H]21	2356390517	FHGDRFDHIZAQKE-LOONRQLCSA-N	380.396	2.428	0	1	GEAF	
O=C(NCc1ccccn1)C1=CC2=N[C@@H](c3ccco3)C[C@@H](C(F)(F)F)N2N1	104014409	NLIWRAUVVMJLDF-DOMZBBRYSA-N	391.353	2.469	0	3	GEAF	
COc1ccc(-c2cccc(OC)n2)c([C@H]2Cc3nc(N)nc(C)c3C(=O)N2)c1	117710500	ZILAGEBEZFRQBB-MRXNPFEDSA-N	391.431	2.474	0	1	GEAF	
CC(C)C(=O)NC[C@H]1CN(c2cc(F)c3c(c2)OC[C@@H]2CCCN32)C(=O)O1	27316941	JGTRINIQYDHPMM-JSGCOSHPSA-N	377.416	2.284	0	1	GEAF	
COc1cc2c(cc1OC)[C@@]13CCN4CC(=CCO)[C@@H](C[C@H]41)C1=CCC(=O)N2[C@@H]13	2356619898	XTGYWZXUYFAABL-XJURDXFZSA-N	394.471	2.013	0	1	GEAF	
O=C(O)c1cc2ccc(OCCn3ncc4ccccc4c3=O)cc2oc1=O	26575772	VYUCYQUGMMEUNP-UHFFFAOYSA-N	378.340	2.280	0	1	GEAF	
C[C@@H]1C[C@H](N)CN1c1cc2c(cc1F)c(=O)c(C(=O)O)cn2-c1ccc(O)cc1	28459005	PCQFQFJAJFKMLX-NEPJUHHUSA-N	397.406	2.460	0	1	GEAF	
CNC(=O)C1=CC[C@H]2[C@@H]3CCc4cc(OS(N)(=O)=O)ccc4[C@H]3CC[C@]12C	72283443	LDIHDLOMDYTITK-WWNBULGVSA-N	390.505	2.407	0	1	GEAF	
CCS[C@@]12O[C@@]3(CCCCCN3C1=O)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12	195503582	KEAQETBYJBOAGZ-XWYPRVOQSA-N	386.473	2.384	0	1	GEAF	
Cc1ccc(-c2nn(Cc3nnc(N(C)c4ccccc4)s3)c(=O)n2N)cc1	43011613	PLBOZHKTMZNUOV-UHFFFAOYSA-N	393.476	2.402	0	1	GEAF	
O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(N[C@@H](C3CCC3)C3CC3)nc(Cl)nc21	95556693	WZOIXKQLNKXZRP-RJUOPTFYSA-N	389.887	2.383	0	1	GEAF	
N[C@H](Cc1ccccc1)C(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2NC1=O	95610244	IZFLEKMFQRVPCL-DENIHFKCSA-N	398.466	2.488	0	1	GEAF	
O=C(NC[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)C1CCOCC1	587567983	AXKWOICYYKFQEO-QZTJIDSGSA-N	383.400	2.265	0	1	GEAF	
Cc1c(O)ccc2c1[C@]1(N[C@H](C(=O)O)C2)C(C(=O)O)=CN(C)c2ccc(F)cc21	963550046	JTXVDQCMKLEQCA-YCRPNKLZSA-N	398.390	2.101	0	1	GEAF	
CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(N)=O	5284833	YLHSLCAPWDVDCF-OALUTQOASA-N	397.475	2.150	0	1	GEAF	
CN(C)CCc1cc2c(cc1[C@@H](O)[C@@H]1OC(=O)c3c1ccc1c3OCO1)OCO2	14612500	YLDLNSVEMCPXKU-RTBURBONSA-N	399.399	2.193	0	1	GEAF	biogenic
CCOC(=O)[C@]12CCCC=C1N(CCCOC)C(=O)[C@@H]2CC(=O)N1CCCC1	203466731	SYFKTAGURKDCBP-KKSFZXQISA-N	392.496	2.111	0	3	GEAF	
O=C(c1noc2ncnc(N3CCCC3)c12)N1CCN(c2ccc(F)cc2)CC1	9688002	XIJXYMVOPGCSCC-UHFFFAOYSA-N	396.426	2.320	0	1	GEAF	
C[C@H](NC(=O)[C@]1(Cc2ccccc2)CCN1C(=O)OCc1ccccc1)C(N)=O	28471260	WJMNYZMSFOBXQL-KSFYIVLOSA-N	395.459	2.000	0	1	GEAF	
CC1(C)C(=O)N[C@@H](c2ccc(NC(=O)CN3CCOCC3)cc2)c2ccccc21	31983027	MLRWWLPZXUSTOO-NRFANRHFSA-N	393.487	2.454	0	1	GEAF	
CCCOC(=O)[C@]1(O)C=C(OCc2cc3ccccc3s2)[C@@H](O)[C@H](O)C1	72177758	RTEBAOMCVIKZDT-DKSSEZFCSA-N	378.446	2.112	0	1	GEAF	
CCOC(=O)N1CCC(Nc2nc(N3C[C@H](C)O[C@H](C)C3)ncc2C)CC1	82204211	KLNUAXYNMVRPFX-GASCZTMLSA-N	377.489	2.431	0	1	GEAF	
COCCn1nc(C)c(C(=O)N[C@@H]2COc3cccc(-c4ccncc4)c3C2)n1	84687439	ZBTWXCSGAHBTJU-INIZCTEOSA-N	393.447	2.028	0	1	GEAF	
CC1(C)O[C@]23[C@H](O)[C@H]1[C@H](O)[C@H](OCc1ccccc1)[C@]2(C)CCC[C@]3(C)O	95485999	RYQNPYYRVCATRG-DNNXKHSDSA-N	376.493	2.412	0	1	GEAF	biogenic,in-vitro
CNC[C@@H]1Oc2ncc(-c3ccccc3F)cc2C(=O)N([C@@H](C)CO)C[C@@H]1C	95733817	SHRVDEFCKQVYRH-NJSLBKSFSA-N	387.455	2.327	0	1	GEAF	
CC(C)NC(=O)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2C(=O)C1CCCC1	95794349	OTKFBCIOELUYNZ-RBUKOAKNSA-N	385.508	2.336	0	1	GEAF	
O=C1[C@H]2CCCN2C(=O)N1CCCCNCCOc1cccc2cccnc12	96933075	VKQGOCPLWYVLKH-QGZVFWFLSA-N	382.464	2.410	0	1	GEAF	
C[C@H]1Cc2ccccc2N1C(=O)Cc1nc(N2CCOCC2)sc1C(=O)O	103240853	KRJAHQUEHOJBJP-LBPRGKRZSA-N	387.461	2.198	0	1	GEAF	
C/C=C1/CN2CC[C@@]34c5cc(O)ccc5N(C)[C@]35OC[C@]4(C(=O)OC)[C@H]1C[C@H]25	137054971	YILKZADAWNUTTB-PWFZJCRKSA-N	382.460	2.020	0	1	GEAF	in-vivo
O=C1C[C@@H](C(=O)Nc2cc(-c3cccc(CO)c3)n(-c3ccccc3)n2)CN1	169707059	RVLMEARGESNBIU-MRXNPFEDSA-N	376.416	2.106	0	1	GEAF	
Cc1cc(Nc2nc(N[C@@H]3CCCC[C@@H]3N)nnc2C(N)=O)c2ccn(C)c2c1	223202272	ZVFWLPWTPUUNON-UONOGXRCSA-N	394.483	2.196	0	1	GEAF	
CO[C@H]1[CH][C@@H]2[CH]N3CC[C@H]4[CH][C@@H](OC)[C@@H](OC)[CH][C@H]4[C@@H]3[C@H](C)[C@@H]2[CH][C@@H]1OC	255222748	KJUSCHWTDAVNSL-YWSLDYTNSA-N	376.517	2.241	0	1	GEAF	
CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2c(O)nc(O)nc2[nH]1	586935099	CAHDMXLCJYEJND-SNVBAGLBSA-N	397.844	2.093	0	1	GEAF	
NCCOCc1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1	587246879	XXLLELOBWKMGMY-UHFFFAOYSA-N	380.857	2.492	0	1	GEAF	
CS(=O)(=O)c1cc(C(=O)c2coc3ccccc23)cc(S(C)(=O)=O)c1	587280836	BXHBJOIKFXPJFR-UHFFFAOYSA-N	378.427	2.471	0	1	GEAF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](CCCNS(C)(=O)=O)N1	587839833	IUSHOQKFRKZKEZ-OTYXRUKQSA-N	379.295	2.493	0	1	GEAF	
CN(C)CCNc1ncc2cc(Oc3ccc(F)cc3F)c(=O)n(C)c2n1	653801628	RWBSDSJXLHIYCI-UHFFFAOYSA-N	375.379	2.373	0	1	GEAF	
CCOC(=O)c1cc([C@@]2(CCC(=O)O)NCCc3c(C(=O)O)cccc32)c[nH]1	963126891	XRFLMQBRVGPXRT-HXUWFJFHSA-N	386.404	2.144	0	1	GEAF	
COC(=O)c1c(Nc2cccc(-c3cncnc3)c2)c2nccnc2n(O)c1=O	1857747894	OVCDZNHBWMGOOA-UHFFFAOYSA-N	390.359	2.016	0	1	GEAF	
Cc1nccc(C[C@H]2[C@@H](CO)[C@H](O)C[C@H]2NCc2ccccc2C(F)(F)F)n1	2356388050	OVBHAZDRFJSHBJ-QFHJOOASSA-N	395.425	2.494	0	1	GEAF	
C[C@]1(C(=O)NS(=O)(=O)c2ccccc2)CCN1C(=O)CC1CCCCC1	61896527	LBEBCAFFDRCFFC-LJQANCHMSA-N	378.494	2.453	0	3	GEAF	
COc1c(N2CCC[C@H](CN)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12	9133347	ICFGYVJRNMOGGS-LLVKDONJSA-N	389.427	2.357	0	1	GEAF	
COc1ccccc1N1CCN(C[C@H]2CN3C(=O)Nc4ccccc4C3=N2)CC1	22939047	ZAKQYSXDZKMEJJ-INIZCTEOSA-N	391.475	2.494	0	1	GEAF	
C[C@@H]1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1n[nH]c2ccccc12	34083229	KOJHYURREGJDOX-CQSZACIVSA-N	376.416	2.119	0	1	GEAF	
CCOC(=O)C1=NO[C@@H](c2ccc(N3CCN(C(=O)NC(C)C)CC3)cc2)C1	40916854	GXKDMDCCJVTPAR-GOSISDBHSA-N	388.468	2.307	0	1	GEAF	
Cc1ccc([C@@H]2O[C@H]([C@H](O)CO)[C@H](O)[C@H]2O)cc1Cc1ccc(C(C)C)cc1	96286171	OICSLPNJYHCWIL-FWKCKQQBSA-N	386.488	2.224	0	1	GEAF	
CN1[C@@H]2CC[C@@H]1CN(c1cc3c(cc1F)c(=O)c(C(=O)O)cn3CCF)CC2	100952844	BIZLICKRCDETKA-CHWSQXEVSA-N	391.418	2.481	0	1	GEAF	
CCN(Cc1ccc(Cl)nc1)C1=C([N+](=O)[O-])[C@H](OC(C)C)[C@@](C)(O)N1C	103185912	MXBKUBZVMVRHIU-DOTOQJQBSA-N	384.864	2.450	0	1	GEAF	
N#Cc1cccc(N2CC[C@](O)(C(=O)NCc3cc(F)cc(Cl)c3)C2=O)c1	145652649	PGSDAKARRVQODV-IBGZPJMESA-N	387.798	2.135	0	1	GEAF	
COCC(=O)N1CC[C@H](Oc2ccc(NC(=O)N3Cc4ccncc4C3)cc2)C1	165875491	YNCBDYVUEPQWSP-IBGZPJMESA-N	396.447	2.255	0	1	GEAF	
COc1cc2nc(Cn3c(=O)cc(C(F)(F)F)c4c(C)nn(C)c43)[nH]c2cn1	587128688	QEDWPKSDOUIWQJ-UHFFFAOYSA-N	392.341	2.390	0	1	GEAF	
N#CN1CC[C@@H](NC(=O)N2CC(c3ccnc(-c4ccc(Cl)cc4)n3)C2)C1	1857542683	OPAARFSKBDJNTB-MRXNPFEDSA-N	382.855	2.461	0	1	GEAF	
Cc1ccnc(NC(=O)c2ccsc2NC(=O)c2ccn3cnnc3c2)n1	1857553488	CZKRMLYDZFVQPU-UHFFFAOYSA-N	379.405	2.394	0	1	GEAF	
Cc1cccc(OCC2(CNCc3ccc(F)c(F)c3)C[C@@H](O)[C@H](O)C2)n1	2356301670	SZHAKTJDOFHRKO-QZTJIDSGSA-N	378.419	2.339	0	1	GEAF	
Cc1[nH]c(C)c(S(=O)(=O)NCc2ccc(F)cc2)c1C(=O)N1CCCC1	9684220	BHSLAGXUUDCMQD-UHFFFAOYSA-N	379.457	2.485	0	3	GEAF	
CC(=O)N(C)C[C@@H]1Oc2c(NC(=O)NC(C)C)cccc2C(=O)N(C)C[C@@H]1C	95661879	XCOQKNQHNZSMKW-GUYCJALGSA-N	390.484	2.164	0	1	GEAF	
Cn1cc2c(nc(NC(=O)COc3ccccc3)n3nc(-c4ccco4)nc23)n1	96308852	GIZJFZFSTGLKAS-UHFFFAOYSA-N	389.375	2.289	0	1	GEAF	
CC[C@@H](C)[C@@H](NC(=O)Nc1ccc(Br)cc1)C(=O)NCC(=O)O	96916941	WKPPVFWLQCDKQE-NOZJJQNGSA-N	386.246	2.186	0	1	GEAF	
CO[C@H]1COC(=O)C/C=C/[C@@H](C)COC(=O)[C@H]2CCCN2C(=O)C/C=C\[C@H]1C	137296076	XWWBVVBSGQSUTO-YWLUHYJRSA-N	393.480	2.257	0	1	GEAF	
C[C@]12OC=C3CC[C@@H]4[C@H](CC=C5C[C@@H](O)[C@H](O)C[C@@]54C)C(=O)O[C@H](CO1)[C@@H]32	238774800	ULXVHDBQEPWLDR-PPUWAGDWSA-N	376.449	2.053	0	1	GEAF	
O[C@H]1CCCC[C@H]1N1CCN(c2ncnc3c2cnn3-c2ccccc2)CC1	653745732	PFLHVJRFAPQYCV-MOPGFXCFSA-N	378.480	2.241	0	1	GEAF	
O=C(c1ccc(-c2ccc3ocnc3c2)cc1)N1CCN(C(=O)C2(O)CC2)CC1	1857598584	FCRNCDLZKRUUEK-UHFFFAOYSA-N	391.427	2.304	0	1	GEAF	
CC[C@H]1[C@@H]2[C@@H](CCCN3[C@H]([C@@H]4C[C@H](C)C(=O)O4)CC[C@H]23)[C@@H]2[C@H]1OC(=O)[C@]2(C)O	2356698815	PMKAPBDTZVDGSB-YSHJUUQASA-N	391.508	2.130	0	1	GEAF	
CCOC(=O)[C@@H]1CCCN(C(=O)CN2C(=O)[C@H](CC)Oc3ccc(C)cc32)C1	2943326	XABCHADCXUZYQW-WBVHZDCISA-N	388.464	2.301	0	3	GEAF	
COc1cccc(C2=N[C@@](C)(CC(=O)NCc3ccc4c(c3)OCO4)ON2C)c1	205221364	TWWCDLIZGDRANZ-OAQYLSRUSA-N	397.431	2.470	0	3	GEAF	
Cc1c(N2C[C@H](N)[C@H](C3CC3)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12	6521003	AJMZGFPXKPITST-RDJZCZTQSA-N	385.439	2.496	0	1	GEAF	
Cc1ccc(C)n1-c1nnc(N2CCC(C(=O)NC[C@@H]3CCCO3)CC2)s1	6806099	BKOWNLKVAPJOCI-INIZCTEOSA-N	389.525	2.457	0	1	GEAF	
COc1ccc(N2C(=O)CN(C(=O)[C@H](CC(C)C)NC(C)=O)CC2(C)C)cc1	12099551	UADYSFTUUHQPDN-SFHVURJKSA-N	389.496	2.200	0	1	GEAF	
CN1[C@H]2CC[C@@H]1CCN(c1cc3c(cc1F)c(=O)c(C(=O)O)cn3CCF)C2	13650312	BIZLICKRCDETKA-OLZOCXBDSA-N	391.418	2.481	0	1	GEAF	
N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1)Cc1ccccc1Cl	28820799	XJNOHIGKPORZRU-LLVKDONJSA-N	387.793	2.253	0	1	GEAF	
COc1cc(/C=C2/SC(=O)NC2=O)ccc1OCC(=O)Nc1ccccn1	49110713	HWRYNSWNEPNFJA-NTEUORMPSA-N	385.401	2.432	0	1	GEAF	
CC[C@@H](C)NC(=O)c1cnc(N2CCN(C(C)=O)CC2)nc1-c1ccccc1	82133379	DJJSFIQHIIYVPM-OAHLLOKOSA-N	381.480	2.340	0	1	GEAF	
CCS(=O)(=O)NC[C@@H]1[C@@H](c2ccccc2)[C@@H](CO)N1CC1CCCCC1	95872071	NGDFBFJNSVZXKK-VAMGGRTRSA-N	380.554	2.335	0	1	GEAF	
CCOC(=O)c1ccc2c(c1)[n+]([O-])c(C(=O)c1ccco1)c(C(F)F)[n+]2[O-]	96911064	ZPCGHEWGFYDYKO-UHFFFAOYSA-N	378.287	2.045	0	1	GEAF	
Cc1nc(N)nc2c1cc(-c1cnc3[nH]ccc3c1)c(=O)n2[C@@H]1CC[C@H](O)C1	117703060	IHUZRDGAFZZJDL-KGLIPLIRSA-N	376.420	2.311	0	1	GEAF	
COC(=O)[C@@]1(C)N[C@H](c2cccs2)[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]21	169295362	UAQUHXAYVUOFLR-GPINWOSQSA-N	388.420	2.269	0	1	GEAF	
CNc1nn2c(C)cc(CN(C)C)nc2c1S(=O)(=O)c1cccc(F)c1	169699845	YJONLRDOINXHTC-UHFFFAOYSA-N	377.445	2.113	0	1	GEAF	
COc1cc2c(cc1OC)[C@@H](c1ccc3c(c1)OCO3)[C@H]1C(=O)OC[C@@H]1[C@H]2O	238742049	DUQMFJLPYJQVDV-XVVDYKMHSA-N	384.384	2.401	0	1	GEAF	
N#Cc1ncc2nc1OCCC=CCOc1ccc(OCCO)cc1NC(=O)N2	253658970	CWCPRZLOIGUGMU-UHFFFAOYSA-N	397.391	2.081	0	1	GEAF	
Cc1ccccc1[C@H](CC(=O)O)NC(=O)c1cnc(NCCO)c(Cl)c1	261086614	CSOWVIMKTBUVNI-HNNXBMFYSA-N	377.828	2.393	0	1	GEAF	
C[C@@H](Oc1ccccc1)C(=O)NCc1nc2ccc(CN3CCOCC3)cc2[nH]1	587226312	YOHNJDVITQIPBV-MRXNPFEDSA-N	394.475	2.479	0	1	GEAF	
CN(C)S(=O)(=O)n1cnc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1	587533657	UMQRCAGKMYWBGL-QGZVFWFLSA-N	375.450	2.123	0	1	GEAF	
COC(=O)C[C@@]1(C(OC)OC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	587598542	YAVDEJDNQLWCSY-OXJNMPFZSA-N	388.372	2.275	0	1	GEAF	
COC(=O)Cn1cccc1[C@H]1c2ccccc2C[C@@]2(C3CCC3)C(=O)NC(=O)N12	962672900	UGFSJRLJXFGMCQ-DENIHFKCSA-N	393.443	2.397	0	1	GEAF	
CC=C1[C@H]2C[C@H]3C4=Nc5ccc(OC)cc5[C@@]45C[C@@H]([C@@H]2[C@H]5OC(C)=O)N3[C@@H]1O	2356681725	DCLQJGLKBIQNJC-NSZNNYPDSA-N	380.444	2.322	0	1	GEAF	
C[C@@H]1CCC[C@H](NC(=O)c2ccc3c(=O)n(C[C@@H]4CCCO4)c(=O)[nH]c3c2)[C@@H]1C	4004961	JGUMGGFTYRSCNL-DEICHXMPSA-N	399.491	2.423	0	3	GEAF	
CCN(C1CCCCC1)S(=O)(=O)CCNC(=O)c1ccc2c(c1)OCO2	4941023	ZPSNKYDLDJBASC-UHFFFAOYSA-N	382.482	2.130	0	3	GEAF	
CC(C)(C)n1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN[C@H](CF)C3)cc21	5834179	ASXNBCZKIRPSCF-LLVKDONJSA-N	379.407	2.342	0	1	GEAF	
COc1c(N2C[C@@H](C)N[C@H](C)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12	5929735	PDLYJBPWYAMEFJ-GHMZBOCLSA-N	389.427	2.369	0	1	GEAF	
N[C@]1(C(=O)O)[C@@H](OCc2ccc(Cl)c(Cl)c2)C[C@H]2[C@@H]1[C@]2(F)C(=O)O	13582193	LFAGGDAZZKUVKO-PCBAKXGKSA-N	378.183	2.103	0	1	GEAF	
CCOC(=O)Cc1c(C)nc2nc(NCc3cc(F)cc(F)c3)nn2c1O	15669036	GITDEBSFAYMAHW-UHFFFAOYSA-N	377.351	2.134	0	1	GEAF	
COc1ccc2c3c1O[C@H]1C(=O)[C@@H](C)C[C@@]4(O)[C@@H](C2)N(CC2CCC2)CC[C@]314	29233640	HQDQOBZHPVEXBG-AYDGMFTBSA-N	383.488	2.465	0	1	GEAF	
O=C(c1cccc2c(CN3CCOCC3)c[nH]c12)N1CCN(C2CCC2)CC1	43197997	NWDYTIVAWJIYBJ-UHFFFAOYSA-N	382.508	2.310	0	1	GEAF	
COc1cc2nc(NC[C@@H](O)CO)nc(NCc3cccs3)c2cc1OC	82125101	HIDOFUKSQITLAQ-LLVKDONJSA-N	390.465	2.086	0	1	GEAF	
CCCn1c(=O)c(NC(=O)c2ccco2)c2n(c1=O)[C@H](c1ccccc1)CN2	82210444	WIIUYCAVBWEHOK-AWEZNQCLSA-N	380.404	2.280	0	1	GEAF	
CS(=O)(=O)N1CCCCN2[C@H](C1)[C@H](c1ccc(C3=CCCC3)cc1)[C@@H]2CO	95874372	OWYGSFSXNSOHTM-HKBOAZHASA-N	390.549	2.438	0	1	GEAF	
O=C(Nc1ccccc1F)N[C@@H]1CC[C@@H](CCNC(=O)C2CCC2)O[C@@H]1CO	95903910	SNFIVQMNSFUFJY-BMGDILEWSA-N	393.459	2.162	0	1	GEAF	
c1cc(N2CCNCC2)c(Nc2ncc3ccc(-c4nccs4)nn23)cn1	144897659	LUJRXDRGQWULDY-UHFFFAOYSA-N	378.465	2.401	0	1	GEAF	
C[C@H](OC(=O)[C@H](C)N1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@@H]2C1=O)[C@@H]1C[C@H]31)C(=O)c1ccccc1	169295211	PJEWTIDBYNHYEL-VYVKYUHFSA-N	393.439	2.243	0	1	GEAF	
COC(=O)[C@]1(C)N[C@@H](c2cccs2)[C@@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]21	169299125	SFPGMLMXUYNMNH-BKEDOTJMSA-N	388.420	2.269	0	1	GEAF	
COC1CCN(c2nccc(Nc3cc4c(cn3)[nH]c(=O)n4C(C)C)n2)CC1	299840948	WZDSFVPXEYTOHO-UHFFFAOYSA-N	383.456	2.454	0	1	GEAF	
CN(C)Cc1cc2cc3c(cc2n1C)COCc1c-3nc(O)c(C(=O)O)c1O	1857641451	WPYYDJDVOGDRTI-UHFFFAOYSA-N	383.404	2.442	0	1	GEAF	
CO[C@H](C)[C@@H]1[C@H]2C[C@H]3C4=Nc5ccccc5[C@@]45C[C@@H]([C@@H]2[C@H]5OC(C)=O)N3[C@@H]1O	2356566850	XHABFDBTVXEZFH-RBJCEOKMSA-N	382.460	2.018	0	1	GEAF	
COc1ccccc1NC(=O)N1CCN2C(=O)N(Cc3cccnc3)C[C@@H]2C1	2356741237	WYQHIYBXRNWKNG-INIZCTEOSA-N	381.436	2.244	0	1	GEAF	
COc1ccc(S(=O)(=O)NC[C@@H]2CCCN(Cc3cccnc3)C2)cc1	12297144	IVEOEBAFTZSKRA-KRWDZBQOSA-N	375.494	2.281	0	3	GEAF	
OC[C@@H]1CN(Cc2ccco2)C[C@H](n2cnc3c(NC4CCCC4)ncnc32)O1	61926595	LTQASRVTCNWXJL-DLBZAZTESA-N	398.467	2.166	0	3	GEAF	
CCOc1ccc([C@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCCOCCO)cc1	4049170	OYSCZJFGJXURTE-TZIWHRDSSA-N	398.459	2.302	0	1	GEAF	
COc1ccc(NC(=O)N2CCC3(CC2)CCN(S(C)(=O)=O)CC3)cc1	4238040	YYYHNQKFRRGNJR-UHFFFAOYSA-N	381.498	2.365	0	1	GEAF	
CN1c2ccccc2C(=O)NC12CCN(C[C@@H]1COc3ccccc3O1)CC2	5549801	URSGOQMZFDRMLW-MRXNPFEDSA-N	379.460	2.498	0	1	GEAF	
CCOC(=O)c1ccc(COc2ccc(OCCCc3nnn[nH]3)cc2)nc1	28219111	JSTGIDIAHTUYKA-UHFFFAOYSA-N	383.408	2.362	0	1	GEAF	
CS(=O)(=O)c1ccc(/C=C(/C(=O)OCCO[N+](=O)[O-])c2ccccc2)cc1	29059971	AOKALBTYQDYDLS-GHRIWEEISA-N	391.401	2.382	0	1	GEAF	
CN1C[C@](C)(c2cc(NC(=O)c3ccc(Cl)cn3)ccc2F)N=C(N)C1=O	73169381	IBPGEEKFYIPLRV-GOSISDBHSA-N	389.818	2.171	0	1	GEAF	
O=C(c1coc(-c2cccs2)n1)N1CCC[C@H](C(=O)N2CCCNCC2)C1	82081416	KERXRZJRIYVREB-AWEZNQCLSA-N	388.493	2.077	0	1	GEAF	
C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)NC3CCCC3)N(CCC)[C@@H]21	100112362	GBLJTPMJUGLXKL-TVSFODMISA-N	399.535	2.314	0	1	GEAF	
COc1ccc(S(=O)(=O)N[C@H](c2nc3cc(C)cc(F)c3[nH]2)[C@H](C)O)cc1	586937119	KOKOVGHGDNFQCJ-ZBEGNZNMSA-N	393.440	2.419	0	1	GEAF	
O=S(=O)(NCCc1nc2c(F)cnc(Cl)c2[nH]1)c1ccc(Cl)nc1	586942946	UPUYNRWHFLHIKW-UHFFFAOYSA-N	390.227	2.320	0	1	GEAF	
CNS(=O)(=O)N1CCC(c2nc3ccc(Br)c(F)c3[nH]2)CC1	586954229	DWWDZJMFSKGSSU-UHFFFAOYSA-N	391.266	2.108	0	1	GEAF	
Nc1nc(O)c2nc(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)[nH]c2n1	587092578	WLYMMDFVWDQMEY-UHFFFAOYSA-N	394.235	2.663	0	1	GEAF	
COCCNC(=O)c1cccc(NC(=O)CCc2nc3ccc(CO)cc3[nH]2)c1	587232528	YNEXIWNXDGTAMS-UHFFFAOYSA-N	396.447	2.003	0	1	GEAF	
CCCC[C@H](CN(O)C=O)C(=O)N1CC2(CC2)C[C@H]1c1nnc2ccccn12	653869223	FTCKQDOSUJLTEW-CVEARBPZSA-N	385.468	2.437	0	1	GEAF	
COc1c(F)cccc1OC1CN(S(=O)(=O)c2ccc3c(c2)OCO3)C1	1857764919	NWXSSYQBQSXZIY-UHFFFAOYSA-N	381.381	2.015	0	1	GEAF	
O[C@H]1[C@H](n2cnc3ccccc32)[C@H]2OC[C@@H](O2)[C@@H]1NC1CCC(F)(F)CC1	2356311618	HJJVBLSFWPPYPX-ICUGJSFKSA-N	379.407	2.230	0	1	GEAF	
Cn1c(=O)cc(OCC(=O)N2CCN(C3CCCCC3)CC2)c2ccccc21	20280224	DHDBDXJQEFLPAV-UHFFFAOYSA-N	383.492	2.394	0	3	GEAF	
Cc1cc(S(=O)(=O)Nc2nc3ccccc3c(=O)n2N)c(S)cc1Cl	1655884	IAVLNAGDEVLRNT-UHFFFAOYSA-N	396.881	2.162	0	1	GEAF	
COc1cc2c(c(OC)c1OC)CCCN1CCC3=C[C@H](O)[C@@H](OC)C[C@@]321	14929840	FVKSQSNYASVPRU-DJPFJPOOSA-N	375.465	2.266	0	1	GEAF	biogenic
COc1cccc(-c2cnnc(N3CCC([C@@H](C)N4CCOCC4)CC3)n2)c1	23366656	QATNWJJEQLVLIB-MRXNPFEDSA-N	383.496	2.484	0	1	GEAF	
Cc1cn(-c2ccc(C(N)=O)c(N3CCNCC3)c2)c2c1C(=O)CC(C)(C)C2	43022454	NSOZPPFBKUFLAJ-UHFFFAOYSA-N	380.492	2.449	0	1	GEAF	
Cc1cccc2sc(Nc3ncccc3C(=O)N3CCN(CCO)CC3)nc12	103287690	HCNIMLIOOCUSRS-UHFFFAOYSA-N	397.504	2.493	0	1	GEAF	
CN1CC[C@H](CNC(=O)c2ccc(NC(=O)N3Cc4ccncc4C3)cc2)C1	166409509	LWRPDLIPXWMHIH-OAHLLOKOSA-N	379.464	2.311	0	1	GEAF	
O=C1C[C@H](Cc2ccccc2)NC(=O)[C@H]1C(=O)Nc1ccc(-n2ccnc2)cc1	169727290	ZAJZGCBEMFZEID-FXAWDEMLSA-N	388.427	2.127	0	1	GEAF	
CCn1cc(-c2cc3c(cn2)cnn3-c2cccc(N3CCCNCC3)n2)cn1	211037168	UEDHQXFKWCZABY-UHFFFAOYSA-N	388.479	2.499	0	1	GEAF	
CC[C@@H]1OCCC[C@@H]1c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1	586912261	NJUAPZSNBSWSMD-YOEHRIQHSA-N	379.482	2.256	0	1	GEAF	
CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2c(O)ncnc2[nH]1	586936684	JNNAVFDNCJIXBD-NSHDSACASA-N	381.845	2.388	0	1	GEAF	
O=S(=O)(NC[C@@H]1CCCO1)c1ccc(-c2nc3nc(Cl)ncc3[nH]2)cc1	586946887	RAFSVXHGEGHXPA-NSHDSACASA-N	393.856	2.131	0	1	GEAF	
O=C1[C@@H]2Cc3nc[nH]c3[C@]3(CCCC[C@@H]3C(F)(F)F)N2C(=O)[C@@H]2CCCN12	963219684	TYYXEZRMCHVFPG-NEULZYRMSA-N	382.386	2.115	0	1	GEAF	
CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc([C@H](O)CNC2CCCC2)c1	1772653688	NJYVMMACYXUWLA-QGZVFWFLSA-N	379.457	2.373	0	1	GEAF	
Cn1ccc(CNC(=O)c2csc(CCNCc3nc4ccccc4[nH]3)n2)n1	1857596603	JRAMDZJYOVJHNL-UHFFFAOYSA-N	395.492	2.015	0	1	GEAF	
COC1=CC2=C(O)C(=O)N3[C]([C@@H]4CCCN4C(=O)c4cc(OC)ccc43)N2C=C1	2356875746	IGLYCPSKFPNEAE-INIZCTEOSA-N	394.407	2.279	0	1	GEAF	
CCc1cccc(NS(=O)(=O)c2c(C)nc3sc(CC)nn3c2=O)c1	6784628	ICFGSAYNHCCSGK-UHFFFAOYSA-N	378.479	2.385	0	3	GEAF	
COc1ccc(CCN(C)[C@H]2CCCN(C(=O)Cn3cccn3)C2)cc1OC	11768404	YLIYCJIJYIIZDN-SFHVURJKSA-N	386.496	2.066	0	3	GEAF	
CCc1c2c(nc3ccc(O)cc13)[C@@H]1C=C3[C@H](COC(=O)[C@@]3(O)CC)C(=O)N1C2	26654111	QTQXEMLATWTPSP-LZFQIVBZSA-N	394.427	2.140	0	1	GEAF	
CCN(CC)CCNC(=O)c1cnc2cc(I)ccc2n1	40977568	COGTVQOVSQHRIJ-UHFFFAOYSA-N	398.248	2.306	0	1	GEAF	
COc1cccc(/C=c2/s/c(=C/C(=O)c3ccc(C)cc3)[nH]c2=O)c1OC	100468001	CHWMGSWLGXQDID-GDAWTGGTSA-N	381.453	2.254	0	1	GEAF	
NC(=O)CNS(=O)(=O)c1cccc(-c2nc3cc4ccccc4cc3[nH]2)c1	586935996	LTLFWRFQBGSPRZ-UHFFFAOYSA-N	380.429	2.147	0	1	GEAF	
Ic1cncc(-c2nc3ccc(-n4cnnn4)cc3[nH]2)c1	587185294	RJYULDXDJTZNPP-UHFFFAOYSA-N	389.160	2.205	0	1	GEAF	
O=C(Nc1ccccc1)N1C[C@@H](O)[C@H](N2CCN(Cc3ccccc3)CC2)C1	1857559714	ZSFWHFNKTZMAOR-NHCUHLMSSA-N	380.492	2.081	0	1	GEAF	
CC[C@@H]1[C@H](O)[C@@H]2[C@H](C)C(=O)O[C@]23C[C@H]([C@@H]2C[C@H](C)C(=O)O2)N2CCCC[C@@H]1[C@@H]23	2356435539	FQNFTSJPXXRUHI-SHFNSPTCSA-N	391.508	2.130	0	1	GEAF	
CCc1nc2ccc(C(=O)NCCCn3ccnc3)cn2c1N(CC)CCOC	61928869	VZXYWYIATYTPSZ-UHFFFAOYSA-N	398.511	2.386	0	3	GEAF	
COc1cc2cc(N3CCN(C(=O)c4ccco4)CC3)nc(N)c2cc1OC	25987479	QMSHQGHMKHHBQC-UHFFFAOYSA-N	382.420	2.390	0	1	GEAF	
CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2CCc3ncccc3C2)C1	95598265	IDPCGLQTORUCBB-GYXSNACCSA-N	399.535	2.309	0	1	GEAF	
Cn1ncc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c1N	587656770	NQDNIGQHIMEPAF-UHFFFAOYSA-N	381.342	2.346	0	1	GEAF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cnc(O)n(C)c2=O)N1	587799031	VVJSEUOBFDRSGB-VPTHRUTESA-N	382.233	2.185	0	1	GEAF	
CC1CCN(S(=O)(=O)N2CCC(C(=O)N[C@@H]3CCCC[C@@H]3C)CC2)CC1	3060418	KOGWKBXIWAUGPT-FUHWJXTLSA-N	385.574	2.370	0	1	GEAF	
Cc1cc(OCC(=O)O)c2c(C(=O)C(N)=O)c(C)n(Cc3ccccc3)c2c1	13686498	IAUGVDTWTMEFGP-UHFFFAOYSA-N	380.400	2.438	0	1	GEAF	
CN(C)c1ccc(C(=O)Oc2ccc3nc(S(N)(=O)=O)sc3c2)cc1	26496791	PBHAINASYIYBAK-UHFFFAOYSA-N	377.447	2.229	0	1	GEAF	
CS(=O)(=O)c1ccc(Cn2cc(C(=O)O)c(=O)c3c(F)cccc32)cc1	45349926	NZYRTYNCUSLDNQ-UHFFFAOYSA-N	375.377	2.291	0	1	GEAF	
N[C@H]1CN(c2cc(-c3cc(F)c(F)cc3F)ncn2)C[C@@H]1N1CCCCC1=O	66097284	ZSJZHAJFTNGTOQ-RDJZCZTQSA-N	391.397	2.089	0	1	GEAF	
CN(CCOc1ccc2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2)C(=O)CO	144813257	HQGRHCZKQMWIOU-GOSISDBHSA-N	381.350	2.295	0	1	GEAF	
Cc1ncccc1OC[C@@H]1CN(CC(=O)N2c3ccccc3C[C@@H]2C)CCO1	207656767	COXVGVOSFMXIOC-LPHOPBHVSA-N	381.476	2.447	0	1	GEAF	
COc1ccc2c(c1)[C@@]13CCN(CC4CC4)[C@@H](C2)[C@@H]1CC[C@@]1(C3)NC(=O)NC1=O	473210182	LDWIYLKXIXKTJM-ZNUVSDCZSA-N	395.503	2.352	0	1	GEAF	
Cc1nc(NS(C)(=O)=O)sc1-c1nc2ccc(OCCN(C)C)cc2[nH]1	586951038	GWWNIZJJNVDKMZ-UHFFFAOYSA-N	395.510	2.307	0	1	GEAF	
CN1CCN(CC(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)CC1	587656263	IFQBXIABFMGSRP-UHFFFAOYSA-N	398.413	2.229	0	1	GEAF	
N[C@@H]1Cc2cc(F)ccc2[C@]12N[C@H](C(=O)O)Cc1c(Cl)cc(F)c(F)c12	962960250	FMBUBEKPFOUPCC-IYOUNJFTSA-N	382.769	2.483	0	1	GEAF	
CC(C=CC(=O)N[C@](C)(CO)C(=O)O)=C[C@@H](C)C(=O)c1ccc(N(C)C)cc1	2356596916	VTYVYDJWZOWXEE-QVKFZJNVSA-N	388.464	2.026	0	1	GEAF	
O=C(Nc1ccccc1)O[C@@H]1CO[C@H]2[C@@H](n3nnnc3-c3ccccc3)CO[C@H]21	25231585	UYQGLCKCMQQNQH-MHORFTMASA-N	393.403	2.296	0	1	GEAF	biogenic
COc1ccc(-c2n[nH]c(=O)c(Cc3cc(OC)c(OC)c(OC)c3)n2)cc1	40972911	RFEZRHCNNUNXKP-UHFFFAOYSA-N	383.404	2.457	0	1	GEAF	
NC(=O)c1ccc2c(c1)nc(NCc1ccccc1Cl)n2CC[C@H](O)CO	49035429	UTMIQGUTFISFFU-AWEZNQCLSA-N	388.855	2.144	0	1	GEAF	
COC(=O)C1=CCC[C@@H]2[C@@]3(C[C@@H](c4ccoc4)OC3=O)[C@H](C)C[C@@H](O)[C@@]12CO	238750704	CJGYIGKJNBOHMN-VKCRYBOWSA-N	390.432	2.143	0	1	GEAF	
Cc1cccnc1[C@]1(CNC(=O)c2cc3cc(Cl)ccc3o2)NC(=O)NC1=O	299840815	WIKRDIGSYVQGTH-IBGZPJMESA-N	398.806	2.254	0	1	GEAF	
COc1cc(N)c(I)cc1-c1nc2ccnc(N)c2[nH]1	587179263	SYDVVUBJQCKDII-UHFFFAOYSA-N	381.177	2.403	0	1	GEAF	
COc1cc2c3c(c1)O[C@](c1ccc(Br)s1)(C(O)O)[C@@H](C2)C3=O	587448983	AATRNHBLYPWPCA-XXFAHNHDSA-N	397.246	2.473	0	1	GEAF	
CC(C)Oc1cc2c(cc1NC(=O)c1ccccc1OCCO)n(C)c(=O)n2C	653833355	FETKWRHEJYDIST-UHFFFAOYSA-N	399.447	2.288	0	1	GEAF	
CN(C)C(=O)c1ccc2c(c1)[C@@]1(C=CN(CC(=O)O)c3ccccc31)NCC2	962935880	NOUOVJODLGXERX-QFIPXVFZSA-N	377.444	2.196	0	1	GEAF	
Cn1ncc2c(NCCN3CCOCC3)nc(Nc3ccc(F)c(F)c3)nc21	1772571366	CKEHNNQYSVCKRS-UHFFFAOYSA-N	389.410	2.129	0	1	GEAF	
O=C(CCc1ccccc1)N1CCC(O)(Cn2cnc3ccsc3c2=O)CC1	1857655999	FEXCAQBZOKHWTE-UHFFFAOYSA-N	397.500	2.444	0	1	GEAF	
CC=C1CN2CC[C@@]34C(=Nc5ccc(OC)cc53)[C@H]2C[C@H]1[C@@]4(CO)C(=O)OC	2356387135	JBFBTBFJYNNYPW-ALALXSPKSA-N	382.460	2.225	0	1	GEAF	
CC(C)CN1CCNC(=O)[C@H]1CC(=O)NCCc1ccc(C(F)(F)F)cc1	11953713	GYVOSSQRAMNNLN-MRXNPFEDSA-N	385.430	2.211	0	3	GEAF	
CN(C)CCNC(=O)[C@@H]1COc2cc(-c3cc(=O)c4ccccc4o3)ccc2O1	3594119	CASYHDUKAFDWMR-NRFANRHFSA-N	394.427	2.278	0	1	GEAF	
CO[C@H]1C[C@@](C)(NC(=O)C(F)(F)F)[C@@H]2O[C@@H](c3ccccc3)OC[C@@H]2O1	17257716	JSDNZWQQFHOALK-SQCNAZHOSA-N	375.343	2.299	0	1	GEAF	
CN(C)Cc1ccc(C(=O)Oc2ccc3nc(S(N)(=O)=O)sc3c2)cc1	26496788	PPMQSWWSMXSHBV-UHFFFAOYSA-N	391.474	2.225	0	1	GEAF	
Cc1c(S[C@@H]2CCCCN2)n(COCNc2ccccc2)c(=O)[nH]c1=O	28138186	MLKWQFLEAZIKEV-OAHLLOKOSA-N	376.482	2.080	0	1	GEAF	
CCn1cc(Cl)c(C(=O)N2CCN(CC(=O)c3ccc(F)cc3)CC2)n1	58568804	BGSXCNQHFNNWSV-UHFFFAOYSA-N	378.835	2.336	0	1	GEAF	
CC[C@H](C)NC(=O)c1cnc(N2CCN(C(C)=O)CC2)nc1-c1ccccc1F	82152328	VCDHGAQTWUFXRW-AWEZNQCLSA-N	399.470	2.480	0	1	GEAF	
NC(=O)c1c(N)nc(OC2CCCC2)nc1Oc1cccc(CCC(=O)O)c1	84654036	NQNMMKDOKUQTKL-UHFFFAOYSA-N	386.408	2.289	0	1	GEAF	
Nc1ccccc1C(=O)O[C@H]1CCN2C[C@@H]3C[C@@H](CN4C(=O)CCC[C@H]34)[C@@H]2C1	169641695	OEPJRGZBPIEMEZ-DAELLWKTSA-N	383.492	2.289	0	1	GEAF	
COc1cncc(-c2ccc3c(c2)[C@]2(COC(N)=N2)C2(COC2)C(C)(C)O3)c1	220715520	IAWZSEUFAASPLV-OAQYLSRUSA-N	381.432	2.485	0	1	GEAF	
Cn1cc(C(=O)NC(=S)Nc2ccccc2I)cn1	473095946	XYMZLWFVTJPJPQ-UHFFFAOYSA-N	386.218	2.152	0	1	GEAF	
COc1nccc2[nH]c(-c3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3)nc12	586946351	KRVBKZDNDCPEMA-ZDUSSCGKSA-N	388.449	2.091	0	1	GEAF	
Cn1cc([C@]2(CN3CCOCC3)CC(=O)c3ccc4c(c3O2)CCCC4)cn1	587517788	VBRAPKOJWXZWIT-JOCHJYFZSA-N	381.476	2.492	0	1	GEAF	
OC1(C(F)(F)F)CN(C[C@H]2CC[C@H](c3nnn4cnc5[nH]ccc5c34)CC2)C1	1772617935	YGMOUFHIQGSMNZ-HAQNSBGRSA-N	394.401	2.488	0	1	GEAF	
CO[C@H]1CNC(=O)N(C[C@@H](O)Cn2c3ccc(F)cc3c3cc(F)ccc32)C1	1857638850	KNJPHYCUACQSBX-CABCVRRESA-N	389.402	2.474	0	1	GEAF	
COc1ccc(-c2noc(C(=O)N3CCCN(C(C)=O)CC3)c2[C@@H](C)O)cc1	2356584116	TTZRBUUKGFASMN-CYBMUJFWSA-N	387.436	2.098	0	1	GEAF	
CN(C)CCN(C)CC[C@@H]1CN(C(=O)Cc2cccs2)CC[C@H]1CC(=O)O	2356816724	DEGPHBOETWCLIK-DLBZAZTESA-N	395.569	2.114	0	1	GEAF	
C[C@@](O)(C(=O)Nc1ccc(S(=O)(=O)c2nccs2)cc1)C(F)(F)F	13760242	VLAQPMGYVZZRGM-GFCCVEGCSA-N	380.369	2.228	0	1	GEAF	
COc1cc(CC2=C(O)[C@](C)(C(=O)NC(C)(C)C)OC2=O)cc(OC)c1OC	26845812	BXTBNWQAOZKZTN-HXUWFJFHSA-N	393.436	2.297	0	1	GEAF	
CS(=O)(=O)N1CCOc2ccc(C3=NN(c4ccccc4)C(=O)CC3)cc21	27215817	OQETWYUXVUSNDB-UHFFFAOYSA-N	385.445	2.376	0	1	GEAF	
CCOC(=O)[C@H](CNC(C)=O)c1cn(C(=O)OCC)c2ccc(OC)cc12	27853539	VVWQFHKMIZUZJP-OAHLLOKOSA-N	376.409	2.437	0	1	GEAF	
CCOC(=O)c1cccc(NC(=O)N2CCCN2C(=O)[C@@H](N)[C@H](C)CC)c1	28127697	MCCFUJQGFNNYSR-CJNGLKHVSA-N	376.457	2.218	0	1	GEAF	
Nc1ccccc1-c1nnc(C(=O)NCc2cccc(N3CCOCC3)c2)o1	43019302	UTZNVGFSDKSDKY-UHFFFAOYSA-N	379.420	2.085	0	1	GEAF	
COc1ccc(C2=NC3=C4C=C(Cl)C=C[C@H]4OC(=O)[C@@H]3C(NC(C)=O)=N2)cc1	45391987	WRUOGFGOQNRTMP-CVEARBPZSA-N	397.818	2.478	0	1	GEAF	
Cc1cc(C)c2cc1C(=O)NCCCC(=O)NCCSc1cc-2nc(N)n1	73166351	KFUZNVDPYTWWDQ-UHFFFAOYSA-N	385.493	2.075	0	1	GEAF	
CNC[C@@H]1Oc2ncc(-c3ccccc3C)cc2C(=O)N([C@@H](C)CO)C[C@@H]1C	95715245	KRNBFKLEYNUIPW-FTRWYGJKSA-N	383.492	2.497	0	1	GEAF	
CO[C@]12C=C[C@@]3(C[C@@H]1N)[C@H]1Cc4ccc(O)c5c4[C@]3(CCN1CC1CC1)[C@H]2O5	100687164	SFHODFBNMSLERZ-HVSAFERVSA-N	380.488	2.104	0	1	GEAF	
O=C(NN1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@@H]43)[C@H]2C1=O)c1cccc(Br)c1	101390651	IYWDNVOMIGEONH-JRULLXGZSA-N	387.233	2.147	0	1	GEAF	
Nc1ncc(-c2ccc(CN3CCOCC3)s2)nc1C(=O)Nc1ccncc1	150115629	LFGSHASYSHJIGU-UHFFFAOYSA-N	396.476	2.267	0	1	GEAF	
O=[n+]1[nH]c2c(I)cnn2c2cc(-c3ccc[nH]3)ccc21	377836366	VGQKDRSOPZPLMS-UHFFFAOYSA-N	378.153	2.330	0	1	GEAF	
COc1ccc(S(=O)(=O)N[C@@H](c2nc3ccnc(Cl)c3[nH]2)[C@H](C)O)cc1	586939499	UZVMOHRCMRESLZ-TVQRCGJNSA-N	396.856	2.020	0	1	GEAF	
CN1[C@H]2COC[C@H]1CC(NC(=O)c1cn(CC(C)(F)F)c3ncccc13)C2	1772577490	JKVLHXVFZDDHCU-ZIAGYGMSSA-N	378.423	2.283	0	1	GEAF	
C/C=C/C(=O)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1	1857594681	MHLYLKHQGHIYHN-NSCUHMNNSA-N	399.422	2.398	0	1	GEAF	
CCOC(=O)CN1C(=O)S/C(=C\c2cc(CCC(=O)O)ccc2O)C1=O	1857608596	YTBXORGQAYMWQP-JYRVWZFOSA-N	379.390	2.009	0	1	GEAF	
CC[C@H](C)[C@H](OC(=O)[C@H](N)C(C)C)C(=O)N[C@@H](C(=O)OC(C)(C)C)C(C)C	2356332875	KBTKFANUSQUABR-JJXSEGSLSA-N	386.533	2.410	0	1	GEAF	
COc1ccc(C(=O)Nc2c3c(nn2C(C)(C)C)CS(=O)(=O)C3)cc1OC	3008422	WGJPUDLYBUCKOU-UHFFFAOYSA-N	393.465	2.336	0	3	GEAF	
Cc1nc(N2CCOCC2)c2c(C)c(C(=O)NC[C@H]3CCCO3)sc2n1	753836	PWRNPVFKQUGHSR-CYBMUJFWSA-N	376.482	2.054	0	1	GEAF	
Cc1c(Sc2ccccc2)n(COCCO)c(=O)n(Cc2ccccc2)c1=O	6520234	RFARVEIYSARPOC-UHFFFAOYSA-N	398.484	2.484	0	1	GEAF	
CN(Cc1ccc2ccccc2n1)C[C@H](O)COc1ccc(-c2nnn[nH]2)cc1	26965982	VDYQEJBKLWXIEX-SFHVURJKSA-N	390.447	2.287	0	1	GEAF	
C[C@@H](N[C@H](CCc1ccccc1)C(=O)O)C(=O)N1Cc2ccccc2[C@@H]1C(=O)O	29566087	CUKQMSYVQGXHKG-NIKGAXFTSA-N	396.443	2.219	0	1	GEAF	
CSc1cccc(NC(=O)N[C@@H]2CCN3C(=O)[C@H](C(C)C)NC(=O)[C@H]3C2)c1	33880188	JFSQUUGWXKCLSP-BMFZPTHFSA-N	390.509	2.044	0	1	GEAF	biogenic
COC(=O)[C@@H]1[C@@H](CO)Cc2cc(OC)c(O)cc2[C@H]1c1ccc(O)c(OC)c1	35049158	NREMFWIZQSDSDC-SMHULIPUSA-N	388.416	2.201	0	1	GEAF	biogenic
CCN(CC)CC(=O)Nc1c(C)cc([C@@](O)(C(N)=O)c2ccccc2)cc1C	45390293	OTAWEBYUJCMPKA-JOCHJYFZSA-N	383.492	2.305	0	1	GEAF	
CC(C)(C)c1cc(NC(=O)N2CCCN(C(=O)C3CCOCC3)CC2)no1	71317047	MIBQBFVAZRBAFD-UHFFFAOYSA-N	378.473	2.465	0	1	GEAF	
CN1Cc2csc3c(C(=O)O)c(=O)c4cc(F)c(N5CCOCC5)c1c4n23	100852396	AWTZXUCGYJTVOF-UHFFFAOYSA-N	389.408	2.138	0	1	GEAF	
O=C1C[C@@H](Cc2ccccc2)NC(=O)[C@@H]1C(=O)Nc1ccc(C(F)(F)F)nc1	169727283	XUTYPXZWDYOJBC-CJNGLKHVSA-N	391.349	2.355	0	1	GEAF	
O=C(Cn1cc(O)n(-c2ccccc2)c1=O)NCc1ccc(F)cc1Cl	169729103	CJDLVIOQZOUUHU-UHFFFAOYSA-N	375.787	2.454	0	1	GEAF	
OC1(c2nc3c(Br)cnc(Br)c3[nH]2)CCOCC1	586914185	VWAGSKJOKRYQDW-UHFFFAOYSA-N	377.036	2.481	0	1	GEAF	
Oc1nc(O)c2nc(CCn3ncc4cc(Br)ccc43)[nH]c2n1	587001237	DICLCABISUPSIX-UHFFFAOYSA-N	375.186	2.119	0	1	GEAF	
CC(=O)OCC1(COC(C)=O)N[C@H](C)Cc2cc(Br)c(F)cc21	587792021	KTMNAQBHACXNGT-SECBINFHSA-N	388.233	2.444	0	1	GEAF	
COC(=O)c1c(Nc2ccc(-c3cncnc3)cc2)c2nccnc2n(O)c1=O	1857747563	ZAZPLHUCKQEPLL-UHFFFAOYSA-N	390.359	2.016	0	1	GEAF	
C[C@]1(O)CCN(S(C)(=O)=O)[C@H](c2cccs2)[C@@H]1NC(=O)c1ccccc1	2356288594	HSQCFHHNGMKSEM-RYRKJORJSA-N	394.518	2.004	0	1	GEAF	
Cc1cc(=O)n2nc(N3CCC(C(=O)NCCc4ccccc4)CC3)sc2n1	4101320	UYFQBDABKWKOEK-UHFFFAOYSA-N	397.504	2.035	0	3	GEAF	
O=C(Nc1nnc(-c2ccco2)o1)c1ccc(S(=O)(=O)N2CCCC2)cc1	4107266	JRQNLDYCUYPJAL-UHFFFAOYSA-N	388.405	2.366	0	3	GEAF	
C[C@H]1CC(=O)N(CC(=O)Nc2ccccc2F)c2ccccc2S1(=O)=O	6806570	DJRVQZDIKSEINV-LBPRGKRZSA-N	376.409	2.363	0	3	GEAF	
COCCNC(=O)[C@@H]1C[C@@H]2Cn3c(nc4cc(Cl)c(Cl)cc43)[C@@H]2N1C	13660679	JYYMTFLJOYYNFB-TURNYIBQSA-N	383.279	2.481	0	3	GEAF	
CCC(=O)Nc1ccc2c(c1)OC[C@@H](C)NC[C@@H](C)[C@@H](OC)CN(C)C2=O	95599486	ACBVZQMFXFPRGI-LBTNJELSSA-N	377.485	2.129	0	3	GEAF	
C[C@@]12C(=O)N(C[C@H](O)c3ccccc3)CC(=O)N1CCc1c2[nH]c2ccccc12	2108882	BLHVDTYJIUYDLR-WMZHIEFXSA-N	389.455	2.344	0	1	GEAF	biogenic
COc1ccccc1N1CCN(CCCNC(=O)c2cnn3ccccc23)CC1	13491625	OLKYYLJXZLWORJ-UHFFFAOYSA-N	393.491	2.285	0	1	GEAF	
N[C@@]1(C(=O)O)[C@H](OCc2ccc(-c3ccccc3)cc2)C[C@@H]2[C@H]1[C@@]2(F)C(=O)O	13582167	RQZABZUTZSTTGD-ZUKOONMSSA-N	385.391	2.464	0	1	GEAF	
COC(=O)C1=C2Nc3cc(OC)ccc3[C@]23CCN2CC[C@@H]4OCC[C@@]4(C1)[C@@H]23	14594550	ZSJZFYYHVUIWBI-KVJIRVJXSA-N	382.460	2.443	0	1	GEAF	biogenic
COc1ccc(-c2cc(=O)c3c(O)cc(OS(=O)(=O)O)cc3o2)cc1O	14813758	ZNWFVYOKHFFQTD-UHFFFAOYSA-N	380.330	2.061	0	1	GEAF	biogenic
O=C(CN1CCN(c2ccccc2)CC1)N[C@@H]1CCN(Cc2ccccc2)C1	38386582	PXSDYIKRZZIMBY-OAQYLSRUSA-N	378.520	2.199	0	1	GEAF	
CCNC(=O)Nc1ccc(-c2nc(N3CCOCC3)c3c(ncn3C)n2)cc1	96283259	BMYYRZJOFRYFQF-UHFFFAOYSA-N	381.440	2.008	0	1	GEAF	
Nc1ccc(-c2ccccn2)nc1C(=O)Nc1cnccc1N1CCC[C@H](N)C1	103236834	KYSZTDYOKABQLB-AWEZNQCLSA-N	389.463	2.301	0	1	GEAF	
Cc1cc(-c2nc3c4n(c(=O)n(Cc5ccccc5)c-3n2)C[C@H](C)N4)nn1C	169724909	SVRQCMHHKLHTJS-LBPRGKRZSA-N	375.436	2.116	0	1	GEAF	
CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2c(N)ncnc2[nH]1	586935709	GDHXCWRGRVZEIC-NSHDSACASA-N	380.861	2.264	0	1	GEAF	
O=C1CN(C(=O)N[C@@H](CO)c2ccc(OC(F)(F)F)cc2)c2ncccc2N1	1772609646	YBZUBBRZTVUARG-ZDUSSCGKSA-N	396.325	2.182	0	1	GEAF	
CCc1ccc(Cc2cc3c(cc2F)CO[C@]32O[C@H](C)[C@@H](O)[C@H](O)[C@H]2O)s1	1857540822	FEMMNKQITNDNJD-RDHZRAOUSA-N	394.464	2.225	0	1	GEAF	
O=C(Nc1cccc(Cl)c1)N[C@@H]1[C@H]2CO[C@@H](O2)[C@@H](n2cc(Cl)cn2)[C@@H]1O	2356297594	WOPAHUVXCRACID-QMIVOQANSA-N	399.234	2.037	0	1	GEAF	
O=C(Nc1cccc(Cl)c1)N[C@@H]1[C@H]2CO[C@@H](O2)[C@H](n2cc(Cl)cn2)[C@@H]1O	2356297595	WOPAHUVXCRACID-RYPNDVFKSA-N	399.234	2.037	0	1	GEAF	
O=C(NCC(F)(F)F)[C@H]1C(=O)Nc2ccccc2C(=O)N1Cc1ccccc1	95565381	DAHVKDQZTAGDQI-HNNXBMFYSA-N	391.349	2.328	0	3	GEAF	
Cc1ccccc1CC(=O)Nc1cc(C)c(S(=O)(=O)NCC(=O)O)c(C)c1	2046816	CJKKMQCZOLCXAM-UHFFFAOYSA-N	390.461	2.156	0	1	GEAF	in-vivo
CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N1CCC(N2CCCCC2)CC1	20574906	IWJBEHBUGROSMT-UHFFFAOYSA-N	397.541	2.447	0	1	GEAF	
COCCNC(=O)[C@H](C)[C@H]1CCc2c(C)cc(OCCOC)c(C)c2[C@@H]1O	33773729	OIHCBIQZWLMFOZ-WIBUTAKZSA-N	379.497	2.323	0	1	GEAF	biogenic
O=C(O)C[C@@H](NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1)C(=O)O	40937043	BGDXBFDCKRFEBS-MRXNPFEDSA-N	395.371	2.078	0	1	GEAF	
C/C=C(\C)C(=O)N1C[C@H](OCCCc2ccccc2)C[C@H]1C(=O)NC[C@@H](C)O	82218854	UDWWWQSUAAMSMQ-QRZGAMAGSA-N	388.508	2.069	0	1	GEAF	
CC[C@@H](C(=O)NC1[C@@H]2CC3C[C@@H]1CC(C(N)=O)(C3)C2)N1CCCC(F)(F)C1	137968121	JPMYVYXSNDIXGT-QJPAMCOCSA-N	383.483	2.293	0	1	GEAF	
CS(=O)(=O)c1ccc2nc(CNC(=O)c3cc4c(s3)CCC4)[nH]c2c1	587035190	PPIKRDKVQANRPI-UHFFFAOYSA-N	375.475	2.447	0	1	GEAF	
CCOC(=O)c1cc([C@]2(CCC(=O)O)NCCc3c(C(=O)O)cccc32)c[nH]1	963126890	XRFLMQBRVGPXRT-FQEVSTJZSA-N	386.404	2.144	0	1	GEAF	
C[C@@H]1Oc2ccccc2C=C1[C@H]1c2[nH]cnc2C[C@H]2C(=O)N3CCC[C@H]3C(=O)N21	963224670	SKSMYNQOEQYHHV-RURTYGRKSA-N	390.443	2.073	0	1	GEAF	
CCc1ccc(-n2nc(COc3ccc(F)c(C(N)=O)c3F)oc2=O)cc1	1857575086	ZVDYGUAZKUUGQS-UHFFFAOYSA-N	375.331	2.344	0	1	GEAF	
Cc1c(N2C[C@H]3C[C@]3(N)C2)c(F)cc2c(CN)c(Cl)c(=O)n(C3CC3)c12	1911586335	UALCDBWEERFPLS-DGIBIBHMSA-N	376.863	2.433	0	1	GEAF	
O=C(Nc1cccc(F)c1)N[C@@H]1[C@H]2CO[C@@H](O2)[C@H](n2cnc3ccccc32)[C@H]1O	2356296114	KLNOHYONKDXGIH-QQXKLLMISA-N	398.394	2.023	0	1	GEAF	
CCC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)NCc3ccco3)ccc21	4971698	ZXWUAPFIMHPVEV-UHFFFAOYSA-N	390.461	2.059	0	3	GEAF	
CCCCNS(=O)(=O)c1ccc(Br)cc1N1CCC[C@H]1CO	61944687	STBKTNAKTGJWJV-ZDUSSCGKSA-N	391.331	2.489	0	3	GEAF	
COc1ccc(NC(=O)C[C@@]2(C)N=C(c3ccc4c(c3)OCO4)N(C)O2)cn1	206018881	GOTWKDQPVQQYCP-IBGZPJMESA-N	384.392	2.188	0	3	GEAF	
COC(=O)[C@]12CC=C3O[C@@H]4OC5(CCCCC5)O[C@@H]4[C@@H]3[C@@H]1C(=O)CCC2=O	5723068	HBBYRPITSKHANT-WNSDDWSPSA-N	376.405	2.030	0	1	GEAF	
Nc1cnc2c(c1)C[C@@]1(O)[C@H]3Cc4ccc(O)c5c4[C@@]1(CCN3CC1CC1)[C@H]2O5	13487524	YDPDYJPVIDRZBN-LMDOGRNLSA-N	391.471	2.069	0	1	GEAF	
COc1ccc2c(c1OC)C(=O)N1CCc3cc4c(cc3[C@]1(OC)C2=O)OCO4	14592961	IVAMGEUWSQPWOS-NRFANRHFSA-N	397.383	2.127	0	1	GEAF	biogenic
COc1cc2nc(N(C)CCCNC(=O)c3ccccc3)nc(N)c2cc1OC	26566361	MSWPIQSFWSHEJV-UHFFFAOYSA-N	395.463	2.486	0	1	GEAF	
COc1ccc(CCNC[C@@H](O)COc2ccc3[nH]c(=O)ccc3c2)cc1OC	27192292	LRIXLIVCNUJIKL-QGZVFWFLSA-N	398.459	2.117	0	1	GEAF	
CCOC(=O)[C@@H](CNC(C)=O)c1cn(C(=O)OCC)c2ccc(OC)cc12	27853532	VVWQFHKMIZUZJP-HNNXBMFYSA-N	376.409	2.437	0	1	GEAF	
O=c1[nH]c2sc3c(c2c(=O)n1CCN1CCN(c2ccccc2)CC1)CCC3	49054050	ZHQIPESKAMQWBU-UHFFFAOYSA-N	396.516	2.062	0	1	GEAF	
CC(C)(NC(=O)c1nc(-c2cccc3cn[nH]c23)cnc1N)C1CCNCC1	84596689	JDQUESPZHKWSCY-UHFFFAOYSA-N	379.468	2.110	0	1	GEAF	
O=C(NC[C@@H]1[C@H](c2ccccc2)[C@H](CO)N1C(=O)C1CCC1)NC1CCCC1	95894893	PSPYKSKJQZXCHI-AABGKKOBSA-N	385.508	2.384	0	1	GEAF	
O=C1[C@@H]2CCCN2C(=O)N1CCCCNCCOc1cccc2cccnc12	96933074	VKQGOCPLWYVLKH-KRWDZBQOSA-N	382.464	2.410	0	1	GEAF	
CCC(CC)C(=O)Nc1cc(NC(=O)N[C@H](CC)CO)ccc1OCC(=O)O	103250986	SUMBSTVUQFRMQT-CYBMUJFWSA-N	395.456	2.417	0	1	GEAF	
O=C(Cc1ccc(/C=C2\SC(=O)NC2=O)cc1[N+](=O)[O-])Nc1ccccn1	205727079	QQXRZCAJVPYKFE-JYRVWZFOSA-N	384.373	2.495	0	1	GEAF	
Cc1cc(C)n(Cn2ccc(C(=O)n3ncc4ccc(Cl)cc4c3=O)n2)n1	587652791	KCZFYNVMTSXEMH-UHFFFAOYSA-N	382.811	2.254	0	1	GEAF	
Cc1ccnc2c1CCN[C@H]2c1c(N2CCSCC2)nc2ccccn2c1=O	963072708	NBPUAIUPRSDNAD-IBGZPJMESA-N	393.516	2.186	0	1	GEAF	
CC(C)(C)[C@@H](C(=O)NCc1ccccc1)N1CCN(C(=O)[C@@H]2CCCO2)CC1	199246231	SNFRQKUJPJADRW-RBUKOAKNSA-N	387.524	2.041	0	3	GEAF	
O=C(NCc1ccc(F)cc1)[C@H]1[C@@H]2C=C[C@@]3(CN(Cc4ccccc4)C(=O)[C@@H]13)O2	4576236	JHYKCQQQKZVQMB-GJPOJAMWSA-N	392.430	2.424	0	1	GEAF	
COC(=O)[C@@H]1[C@H](C)OC[C@@H]2[C@@H]1C[C@@H]1N(C)CC[C@]13c1ccccc1N(C(C)=O)[C@H]23	14585561	MUNURTJJRWIXFH-OXDKLGJMSA-N	398.503	2.208	0	1	GEAF	biogenic
CCOc1c(N2CCC[C@@H](N)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12	39180251	QOWSHGZRBCDUJL-LLVKDONJSA-N	389.427	2.500	0	1	GEAF	
O=C([C@H]1[C@H]2c3cccc(=O)n3C[C@@H]([C@@H]1CO)N2CC1CCCC1)N1CCCCC1	95879685	KUBXANCCBDONIG-HVJHZFLKSA-N	399.535	2.015	0	1	GEAF	
O=C(C[C@H]1C[C@@H]2CC[C@@H]1C2)N1CCN(S(=O)(=O)c2ccccc2F)CC1	102727848	QGCMJWGMDIYFOI-BZUAXINKSA-N	380.485	2.485	0	1	GEAF	
NC(=O)c1c(-c2ccc(N)cc2)nsc1NC(=O)NCCCN1CCCC1	145698543	DCDCADZVJDJYNC-UHFFFAOYSA-N	388.497	2.099	0	1	GEAF	
COc1ccc(-c2c(-c3nc(C)n4ncnc(N5CCC5)c34)cnn2C)nc1	169697329	GUPFHAVPNIIWSF-UHFFFAOYSA-N	376.424	2.114	0	1	GEAF	
COC(=O)c1cccc2nc(C[C@@H](NC(=O)OCc3ccccc3)C(=O)O)[nH]c12	587204260	WXOJYRLMHOHONJ-OAHLLOKOSA-N	397.387	2.272	0	1	GEAF	
C[C@H]1O[C@]2(OCc3ccc(Cc4cc5ccccc5o4)cc32)[C@H](O)[C@@H](O)[C@@H]1O	1857555131	YMWXDGFBPVZSJH-IGLWBYBESA-N	382.412	2.208	0	1	GEAF	
O=C(NC1CCCCC1)[C@H]1CCCN1S(=O)(=O)c1cccc2nsnc12	4077892	FDZJWKFFTIJLKJ-CQSZACIVSA-N	394.522	2.293	0	3	GEAF	
COc1ccccc1-c1onc(-c2ccccc2F)c1C(=O)NC[C@@H](O)CO	775461	UNWPLECSOTUKPA-GFCCVEGCSA-N	386.379	2.239	0	1	GEAF	
O=C(O)c1cn(CCF)c2cc(N3CCN4CCC3CC4)c(F)cc2c1=O	13650319	MTUOLPZBNHSKRD-UHFFFAOYSA-N	377.391	2.093	0	1	GEAF	
O=Cc1c(Cl)n([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2cc(Cl)c(Cl)cc12	33504507	QJLFDUROSXZMQK-HKUMRIAESA-N	380.611	2.026	0	1	GEAF	
CN1CCN(c2nccnc2OC2CN(c3ccc4ccccc4n3)C2)CC1	96168740	JDTVYAVOZMQJQW-UHFFFAOYSA-N	376.464	2.044	0	1	GEAF	
CCOC(=O)c1ccc2c(c1)[n+]([O-])c(C(=O)OCC)c(-c1ccccc1)[n+]2[O-]	96911065	UVUSDCCSCJFPDC-UHFFFAOYSA-N	382.372	2.127	0	1	GEAF	
CN(C)C(=O)c1ccc(N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)cc1	205424103	BOVGZEICJPTPHH-UHFFFAOYSA-N	381.432	2.080	0	1	GEAF	
CCCCNS(=O)(=O)c1ccc2nc([C@H](O)c3cccc(O)c3)[nH]c2c1	586893928	YABRWBYWVIJBEZ-QGZVFWFLSA-N	375.450	2.429	0	1	GEAF	
NS(=O)(=O)c1ccc2nc([C@H](O)c3ccc(Br)cc3)[nH]c2c1	586996565	VWMODSFJSQOQDE-CYBMUJFWSA-N	382.239	2.055	0	1	GEAF	
O=C(O)CCN(CCc1nc2c(S)nc(S)nc2[nH]1)Cc1ccccc1	587193413	KECFIILWVIEADM-UHFFFAOYSA-N	389.506	2.450	0	1	GEAF	
Cn1c(=O)c(Oc2ccc(F)cc2F)cc2cnc(N3CCC[C@@H](O)C3)nc21	653794483	DCUTZQNQYYZEMU-CYBMUJFWSA-N	388.374	2.360	0	1	GEAF	
COc1ccc(CN[C@@H]2C[C@H](O)[C@@H](CO)[C@@H]2Cc2ccnc(C3CC3)n2)cc1	2356288526	GCNJZQSQRMQYRO-BURNTYAHSA-N	383.492	2.053	0	1	GEAF	
CCN(CC)C(=O)[C@H]1CCC[C@@H](NC(=O)Nc2cccnc2)CN(C)C(=O)C1	2356298854	GLJLDGZEXDEBPO-DOTOQJQBSA-N	389.500	2.089	0	1	GEAF	
COCC(=O)N1C[C@H]2C[C@H]1C(=O)N(Cc1ccc(OC)cc1)c1ccccc1O2	2356317877	XJUZJRVHPXNKTB-MJGOQNOKSA-N	396.443	2.237	0	1	GEAF	
C[C@@H]1CCN(C2CC2)S(=O)(=O)c2ccc(N3CC[C@H](N(C)C)C3)cc2O1	96019151	OHELCWVHBJXNSG-PBHICJAKSA-N	379.526	2.151	0	3	GEAF	
O=C(O)C[C@H](NC(=O)CCC(=O)Nc1ccc2c(c1)CNCC2)c1ccccc1	58511929	TWQKVYIVXPBLEV-IBGZPJMESA-N	395.459	2.383	0	1	GEAF	
O=C(NCC[C@@H]1CC[C@H](NC(=O)C2CCCC2)[C@@H](CO)O1)c1ccc(F)cc1	95903423	PCXDMLTYWGHPKQ-GBESFXJTSA-N	392.471	2.161	0	1	GEAF	
O=C(N[C@H]1[C@H]2CC3C[C@@H]1C[C@](O)(C3)C2)c1cnc(N[C@H]2CCOC2)nc1C1CC1	101584616	DFVVWZTUNUJGGE-GGXJKVPISA-N	398.507	2.224	0	1	GEAF	
COc1cccc(S(=O)(=O)N(Cc2ccc(F)cc2)C[C@@H]2CCC(=O)N2)c1	103239957	LSUQMKATOZOVDX-INIZCTEOSA-N	392.452	2.304	0	1	GEAF	
Cc1onc([C@@H]2CCCCN2)c1COc1ccc(C(=O)NC(C)(C)CO)cn1	169685414	PQPUUIAXYMGCEL-INIZCTEOSA-N	388.468	2.272	0	1	GEAF	
NS(=O)(=O)c1cccc2nc(-c3cnn4cccc(Br)c34)[nH]c12	587006214	FRWYAQITNFOKOY-UHFFFAOYSA-N	392.238	2.288	0	1	GEAF	
COc1cncc2nc(Cn3c(=O)cc(C(F)(F)F)c4c(C)nn(C)c43)[nH]c12	587129038	QUHWEVUKDSPIRK-UHFFFAOYSA-N	392.341	2.390	0	1	GEAF	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)Nc2cc(N3CCOCC3)ccc21	587400525	QKIJGWIIOZXWIC-OAQYLSRUSA-N	379.416	2.227	0	1	GEAF	
O=C(NC[C@H]1CCCO1)c1ccc(CS(=O)(=O)Cc2ccc(F)cc2)o1	4101953	DMOZHKAXMRNTJJ-OAHLLOKOSA-N	381.425	2.443	0	3	GEAF	
O=C(O)c1cc(Br)cc(CCn2cnc3c2NC=NC[C@@H]3O)c1	837909	GVJDHCRNNQRHQD-LBPRGKRZSA-N	379.214	2.074	0	1	GEAF	
COCCn1c(=O)c(NCc2cc3ccccc3o2)c2n(c1=O)C[C@@H](C(C)C)N2	82206147	WIAQJDQWGHXWAS-INIZCTEOSA-N	398.463	2.465	0	1	GEAF	
Nc1ccccc1CN1C(=O)c2cccc3cc(S(=O)(=O)O)cc(c23)C1=O	103254253	IJJBWZQVXRAXBC-UHFFFAOYSA-N	382.397	2.465	0	1	GEAF	
CNCc1cn(S(=O)(=O)c2ncccc2C)c(-c2cccnc2F)c1F	116579163	ZTORQVMXOJGSKV-UHFFFAOYSA-N	378.404	2.488	0	1	GEAF	
CS(=O)(=O)Nc1ccc2c(c1)-c1c(c(C(N)=O)nn1-c1ccccc1)CC2	165842342	RBDWLKKCKIQRSI-UHFFFAOYSA-N	382.445	2.108	0	1	GEAF	
COc1ccc(S(=O)(=O)N[C@H](c2nc3ccc(F)cc3[nH]2)[C@@H](C)O)cc1	586939276	SSEIDZBWHNABSA-HWPZZCPQSA-N	379.413	2.111	0	1	GEAF	
NS(=O)(=O)c1cccc2nc([C@@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c12	587074977	AFWMFBJYQUONRK-ZDUSSCGKSA-N	376.825	2.481	0	1	GEAF	
CCOC(=O)[C@@H]1CNCC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12	587789230	ANGXUXRDCCCBEB-ANTHHZPCSA-N	385.277	2.490	0	1	GEAF	
COC(=O)Nc1n[nH]c2cc(NC(=O)N[C@H]3CNc4ccccc4C3)ncc12	1772573222	ONYSMTYVISONIN-LLVKDONJSA-N	381.396	2.295	0	1	GEAF	
CC1=C[C@H](CN2CCN(CCO)CC2)[C@H](C(C)C)C[C@@H]1Cc1nnc(C)o1	2356300151	AORZHWVQPWCCCB-AQNXPRMDSA-N	376.545	2.385	0	1	GEAF	
COc1c2c(cc3c1[C@H]1OC(=O)[C@@H]([C@H]3c3ccc4c(c3)OCO4)[C@H]1CO)OCO2	2356474434	ROTFEJQWSQLKSJ-AKDPKCQSSA-N	398.367	2.121	0	1	GEAF	
CCN(CC)S(=O)(=O)c1ccc2oc(C(=O)N3CCOCC3)c(C)c2c1	2459847	OMMIIOOSGJNOJH-UHFFFAOYSA-N	380.466	2.244	0	3	GEAF	aggregator
COCCn1nnnc1[C@H](c1ccc(O)c(OC)c1)N1CCc2ccccc2C1	19593920	WZLUAEIXQLABNE-FQEVSTJZSA-N	395.463	2.181	0	3	GEAF	
COC(=O)C1=CCC[C@@H]2[C@@](C)(CCC3=CC(=O)OC3)[C@H](C)[C@H](O)[C@H](O)[C@@]12C	13484166	WHHJYCIHDIOTJN-QTMFJGDTSA-N	378.465	2.143	0	1	GEAF	biogenic,in-vitro
Nc1ncnc2c1ncn2CCOC[P@@]1(=O)OCC[C@H](c2ccncc2)O1	28974790	CAYVBFCJRWSTJY-PFUSGODGSA-N	390.340	2.149	0	1	GEAF	
O=C1[C@H]2C=C(I)[C@H](C[C@@H]2OCCCCO)[C@]12CCCO2	40900015	ZCCAXLPFLIOJJV-TZQJONAQSA-N	392.233	2.231	0	1	GEAF	
COc1ccccc1[C@H]1CN(c2nc(-c3ccncc3)cc(=O)n2C)CCN1	116775151	IXUIAMDYCMJFKQ-GOSISDBHSA-N	377.448	2.002	0	1	GEAF	
CCC(=O)N1CCC[C@H](Nc2ncnc3c2nc(-c2cnn(CC)c2C)n3C)C1	207084212	IFQPBOOTNHRBQE-AWEZNQCLSA-N	396.499	2.368	0	1	GEAF	
COC(=O)C1=CCC[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](C3=C[C@@H](O)OC3=O)C[C@@]12C	238745134	HQDBGALLBWHOAA-XNDJHCRASA-N	390.432	2.036	0	1	GEAF	
OCCNc1nccc(N2CCN(c3ccnc4cc(Cl)ccc34)CC2)n1	653889647	VYVOOYYZLFUFRC-UHFFFAOYSA-N	384.871	2.409	0	1	GEAF	
CCOC(=O)c1ccc(Cn2c(C)nc3c(N4CCOCC4)ncnc32)cc1	1772648852	VWLCHTLCCDRRJE-UHFFFAOYSA-N	381.436	2.196	0	1	GEAF	
Cc1c(C(=O)N2CC[C@@H](N3CCC(O)CC3)[C@H](O)C2)[nH]c2ccc(Cl)cc12	12202331	MLNNLHCPANSEAI-QZTJIDSGSA-N	391.899	2.162	0	3	GEAF	
CC[C@@H]1Nc2ncnc(N3CCOCC3)c2N(Cc2ccc(OC)cc2)C1=O	61959732	YOLQUTFASGKXBO-INIZCTEOSA-N	383.452	2.059	0	3	GEAF	
CC(=O)N1CC[C@@]2(c3ccccc3N(C(C)=O)[C@@H]2c2ccc(O)cc2)[C@@H]1C(=O)O	5602119	VAKSZXZIYLNMIF-URVUXULASA-N	394.427	2.443	0	1	GEAF	
COc1ccc([C@H]2C(C(=O)O)=C(CO)Oc3cc4c(cc32)OCO4)c(OC)c1	6404026	AOFQWXMNICNOLG-GOSISDBHSA-N	386.356	2.288	0	1	GEAF	
COc1cc2nc(N3CCN(C(=O)c4ccco4)[C@@H](C)C3)nc(N)c2cc1OC	13826088	IFHSATYJNUJCGC-LBPRGKRZSA-N	397.435	2.173	0	1	GEAF	
CNCCN(C)c1nc(Nc2ccncc2)nc(NC2Cc3ccccc3C2)n1	45300117	SJCIJDITXRSPCB-UHFFFAOYSA-N	390.495	2.245	0	1	GEAF	
CNC[C@H](O)CCN1c2ccccc2N(c2cc(F)ccc2F)S1(=O)=O	49036191	UJEHPOIYQOLYRD-CYBMUJFWSA-N	383.420	2.138	0	1	GEAF	
COc1ccc(C(=O)NCCN2CCC(n3c(=O)[nH]c4ccccc43)CC2)cc1	58564017	XVQGXYKRBOLGFX-UHFFFAOYSA-N	394.475	2.405	0	1	GEAF	
CN(CC(=O)NCCCN1CCCC1)C(=O)c1csc(-c2ccccc2)n1	82073823	RXRNUYOQZHCUNZ-UHFFFAOYSA-N	386.521	2.484	0	1	GEAF	
Cc1ccc2c(-c3cnc4[nH]cc(C(=O)N[C@]5(C)CCNC5)c4n3)nn(C)c2c1	95604760	MNULNRKCIHEFMM-OAQYLSRUSA-N	389.463	2.302	0	1	GEAF	
CCC(=O)N(C)C[C@H]1[C@@H](c2ccc(-c3cccnc3)cc2)[C@@H](CO)N1C(C)=O	95668112	WSIAAOVRQHSRNB-TUNNFDKTSA-N	381.476	2.292	0	1	GEAF	
CCCC(=O)N1CCC2(CC1)CN[C@H](CO)c1c2c2ccc(OC)cc2n1C	95796121	UFJVLZSNHFFKDT-QGZVFWFLSA-N	385.508	2.484	0	1	GEAF	
Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc(COCCn2ccnc2)cc1	199940509	HCQSYUIHWHGANW-UHFFFAOYSA-N	389.481	2.251	0	1	GEAF	
COc1nc(N2CC(c3nc4ccccc4n3C)C2)cc(-n2nc(C)nc2C)n1	205328556	SGATVSJIEYCDOZ-UHFFFAOYSA-N	390.451	2.173	0	1	GEAF	
CCCCNc1ncc(C(=O)NC2CCOCC2)c(N[C@H]2CC[C@H](O)CC2)n1	261087646	CVMMQZHPZPFORW-KOMQPUFPSA-N	391.516	2.313	0	1	GEAF	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(NCC(=O)O)nc2)N1	587757482	VBPMMSJKENGRBH-VXJOIVPMSA-N	395.232	2.498	0	1	GEAF	
CCOC(=O)C1=NN(c2ccccc2)C(=O)C[C@]12NCCc1ccc(O)cc12	963341637	NZYWEBLXNGLVTP-OAQYLSRUSA-N	379.416	2.089	0	1	GEAF	
O=C(NCc1ccccc1)c1ccc(CNc2c(N3CCCC3)c(=O)c2=O)cc1	101588971	TYOIFDWAXZXPQC-UHFFFAOYSA-N	389.455	2.425	0	3	GEAF	
COc1cccc(CN2CCN3C=C(C(=O)N4CCCCC4)OC3=NC2=O)c1	205235314	RKSBWKWRGOTJQU-UHFFFAOYSA-N	384.436	2.173	0	3	GEAF	
COC(=O)C[C@@H](c1ccc(OC)c(OC)c1)N1C(=O)c2cccc(O)c2C1=O	13757422	ITXQTSIKZWXBOQ-ZDUSSCGKSA-N	385.372	2.310	0	1	GEAF	
COc1cc([C@@H]2c3cc4c(cc3C(=O)[C@@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O	14822174	OJDRVIHXHQXFSH-PJSAGSTRSA-N	398.367	2.256	0	1	GEAF	biogenic
CN1C(=O)c2c(ccc3c2OCO3)[C@]2(C)[C@H](O)Cc3cc4c(cc3[C@@H]12)OCO4	14930728	KUCVHCLYIAWDLU-OZOXKJRCSA-N	381.384	2.146	0	1	GEAF	biogenic
COc1cc2c(cc1OS(N)(=O)=O)CC[C@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12	38465213	RWIXFHUXVURZCZ-QBQAKCNGSA-N	381.494	2.495	0	1	GEAF	
CCC(=O)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1	39614006	INFGMYYEVWVBQF-UHFFFAOYSA-N	387.411	2.232	0	1	GEAF	
O=c1cc(-c2ccccc2)c2ccc(OC[C@H](O)CN3CCNCC3)cc2o1	40403712	DPPQNKKMNSPLRU-QGZVFWFLSA-N	380.444	2.105	0	1	GEAF	
CCC(=O)NC1CCN(CCCN2C(=O)COc3cc(F)c(F)cc32)CC1	64750389	AVFXNOKZTBKFHQ-UHFFFAOYSA-N	381.423	2.071	0	1	GEAF	
C/C=C(/C)C(=O)O[C@@H](C1=C(C)[C@@H](O)OC1=O)[C@@]1(C)[C@H](C)[C@H]2CC[C@H]1[C@H](OC)O2	100784074	YEMKZDPASIYASW-HUKSTBTHSA-N	394.464	2.480	0	1	GEAF	endogenous,in-man
COc1ccc(C2=C(c3cc(OC)c(OC)c(OC)c3)C(=O)N(C)C2=O)cc1N	299821024	JDJDXSNFJNNCIK-UHFFFAOYSA-N	398.415	2.213	0	1	GEAF	
COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(OC)c1OCC(N)=O	587389373	KDDYNOHNMCBKLK-HNNXBMFYSA-N	386.404	2.165	0	1	GEAF	
CCOC(=O)[C@@H]1CN(C(=O)OCC)CC[C@@]12CC(=O)c1cc(C)cc(N)c1O2	587395176	LBTICYPNKJUMOW-VBKZILBWSA-N	390.436	2.323	0	1	GEAF	
O=C(O)[C@@H]1Cc2cccc(OC(F)(F)F)c2[C@@H](c2cncc3c2NCCO3)N1	962628743	FRWHVPOUHWDXIE-MEDUHNTESA-N	395.337	2.473	0	1	GEAF	
O[C@H]1CCN(Cc2nc(C3(O)CCN(Cc4ccc(F)cc4)CC3)cs2)C1	2356481097	CWSRDBXPXIBTRR-KRWDZBQOSA-N	391.512	2.332	0	1	GEAF	
C[C@]1(C(=O)NS(=O)(=O)c2ccc(Cl)cc2)CCN1C(=O)c1ccco1	61897770	TUVGNEIURHWGSV-MRXNPFEDSA-N	382.825	2.043	0	3	GEAF	
CC(=O)Nc1ccc(-c2ccnc3c2C[C@](C)(C(=O)NCCN(C)C)O3)cc1	61903237	OSASEEDQVVWIHL-OAQYLSRUSA-N	382.464	2.078	0	3	GEAF	
C[C@@H]1CCC[C@@H](NC(=O)c2ccc3c(=O)n(C[C@@H]4CCCO4)c(=O)[nH]c3c2)[C@@H]1C	4004963	JGUMGGFTYRSCNL-AHEZYBDSSA-N	399.491	2.423	0	1	GEAF	
C[C@@H](NC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O)C(=O)Nc1cccc(F)c1	6166643	GJLOQKPEKVPEGK-KFWWJZLASA-N	398.438	2.143	0	1	GEAF	biogenic
C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)N[C@H](CO)CC1CCCCC1	13649007	CEPRCYOYCITCGO-UGSOOPFHSA-N	382.451	2.460	0	1	GEAF	
COc1ccc(CNC[C@@H](O)COc2cccc3ccc(=O)[nH]c23)cc1OC	27183459	VZGOXMURNXKORT-MRXNPFEDSA-N	384.432	2.075	0	1	GEAF	
CCCc1c(Cn2ccnc2-c2ncccc2F)ncn2nc(C(=O)OC)nc12	38346252	MYLNFBPCEOIJTN-UHFFFAOYSA-N	395.398	2.309	0	1	GEAF	
Cc1oc(S(=O)(=O)N2CCN(C)CC2)cc1NC(=O)Nc1ccccc1	40893938	VJVJSRDFIMSFEC-UHFFFAOYSA-N	378.454	2.168	0	1	GEAF	
COC(=O)[C@@H]1C[C@H](O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](c3ccoc3)C[C@]21C	82158010	BLTMVAIOAAGYAR-ZNKMMSAYSA-N	390.432	2.429	0	1	GEAF	
O=C(C1CCCC1)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2Cc1cncnc1	95869369	JNVDFCJTYQMKEH-RTWAWAEBSA-N	392.503	2.208	0	1	GEAF	
O=C(NN1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@@H]43)[C@H]2C1=O)c1ccccc1Br	101069492	OLFJAAPWKAVFKS-LOLUWDGXSA-N	387.233	2.147	0	1	GEAF	
CCN(Cc1ccc(Cl)nc1)C1=C([N+](=O)[O-])[C@@H](OC(C)C)[C@@](C)(O)N1C	103185914	MXBKUBZVMVRHIU-NVXWUHKLSA-N	384.864	2.450	0	1	GEAF	
Cc1ncc2c(n1)[C@@H]1Oc3c(O)ccc4c3[C@@]13CCN(CC1CC1)[C@@H](C4)[C@]3(O)C2	136114968	TXYHVHRAQHKCHR-KEIZBESESA-N	391.471	2.190	0	1	GEAF	
C/C=C(\C)C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)NC[C@H](C)O	299884621	UDWWWQSUAAMSMQ-RWYOSOHWSA-N	388.508	2.069	0	1	GEAF	
COc1cnc2ccc(=O)n(CCN3CCN(Cc4ccccc4)CC3)c2c1	653793235	MUDGQNZCMSDDIP-UHFFFAOYSA-N	378.476	2.223	0	1	GEAF	
N#CN1CC[C@@H](NC(=O)c2ccc(-c3ccnc(N4CCOCC4)c3)cc2F)C1	1857542504	SMUCDJLDBIDSJK-QGZVFWFLSA-N	395.438	2.009	0	1	GEAF	
CC(=O)c1ccc(S(=O)(=O)N2C(=O)N[C@]3(CCCc4ccccc43)C2=O)cc1	1857554482	VXZHYKWBPHYYBU-FQEVSTJZSA-N	398.440	2.362	0	1	GEAF	
COc1ccccc1C(=O)N[C@@H]1[C@H](c2ccc(C(F)(F)F)nc2)C[C@@H](O)[C@@H]1O	2356286532	CZQCHKLSPFUMAG-IXKJSCDLSA-N	396.365	2.117	0	1	GEAF	
COC[C@H](O)[C@@]1(O)CC[C@@]2(O)[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C	2356593993	DRWYRTBGYGOFNY-GGNMNRJSSA-N	380.525	2.163	0	1	GEAF	
Nn1c(S)nnc1-c1ccccc1Nc1ccccc1-c1n[nH]c(=S)n1N	3588415	ROFANEFYHBZYSH-UHFFFAOYSA-N	397.493	2.326	0	1	GEAF	
O=C(O)Cc1nn(Cc2ccc(Br)cc2F)c(=O)c2ncccc12	13650639	XFFKMUMASJSILS-UHFFFAOYSA-N	392.184	2.369	0	1	GEAF	
COc1ccc(C(=O)N2CC[C@@H]3NC(=O)N(c4cccc(OC)c4)C(=O)[C@@H]32)cc1	25410359	JIDMYONQBHKTOS-ZWKOTPCHSA-N	395.415	2.043	0	1	GEAF	biogenic
CCOC(=O)CN(CC(F)(F)F)C1=C[C@@H]2C(C(F)(F)F)=CC(=O)N[C@H]2C=C1	28821703	KAMLTZGDMAYCDB-PWSUYJOCSA-N	398.303	2.471	0	1	GEAF	
CS(=O)(=O)CCN1C(=O)c2ccccc2[C@H](CC(=O)c2ccccc2)C1=O	29348197	DCQSNQVLDCGJBS-KRWDZBQOSA-N	385.441	2.070	0	1	GEAF	
COc1cc2nc(NC[C@@H](O)CO)nc(NCC3CCCCC3)c2cc1OC	82124989	CEKNJVOLBXBVCC-CQSZACIVSA-N	390.484	2.404	0	1	GEAF	
CC[C@H]1Cn2c(c(NCc3ccsc3)c(=O)n(Cc3ccncc3)c2=O)N1	82207500	ZEKLGCZSWISCQE-HNNXBMFYSA-N	383.477	2.331	0	1	GEAF	
CC(C)(C)c1cc(O)nc(SCC(=O)c2ccc(S(N)(=O)=O)cc2)n1	84602490	OMYTZYUGUKDESE-UHFFFAOYSA-N	381.479	2.102	0	1	GEAF	
O=C(CCn1ccc(=O)[nH]c1=O)NCCC(c1ccccc1)c1ccccc1	84653696	SSZFVASYVOKRIL-UHFFFAOYSA-N	377.444	2.265	0	1	GEAF	
CCCN1[C@@H]2c3ccc(-c4ccccc4)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)NCC	95880196	WZOOZAJZQBIFST-MJUUVYJYSA-N	395.503	2.025	0	1	GEAF	
COCC(=O)N(C)C[C@@H]1[C@@H](c2ccc(-c3ccccc3)cc2)[C@H](CO)N1C(C)=O	95895726	CBLKVIXJSSEHMU-FUPPJEDESA-N	396.487	2.134	0	1	GEAF	
CNC(=O)C1CN(C(=O)c2ccc3c(c2)[C@](O)(C(F)(F)F)c2ccccc2-3)C1	144716779	NBUMNDPKQOXNDU-IBGZPJMESA-N	390.361	2.283	0	1	GEAF	
Cc1ccnc(OC[C@H]2CN(CC(=O)N3c4ccccc4C[C@@H]3C)CCO2)c1	222447168	ZGWKETCDELPQRC-PKOBYXMFSA-N	381.476	2.447	0	1	GEAF	
C/C=C(/C)C(=O)O[C@H]1CC[C@]2(O)C[C@@]3(OC)OC(=O)C(C)=C3[C@@H](O)[C@]2(C)[C@H]1C	238739999	ATTRXTZPTLILCG-RHSJQBQKSA-N	394.464	2.012	0	1	GEAF	
CC(C)(C)c1cccc2nc(-c3cccc(S(=O)(=O)NCC(N)=O)c3)[nH]c12	586937321	YKYGYHGVLHMIKK-UHFFFAOYSA-N	386.477	2.291	0	1	GEAF	
CCOC(=O)[C@@H]1CCNC(=O)[C@@]12c1ccsc1CCN2Cc1cccnc1	962999330	XOZJSJFVWLERNS-OXJNMPFZSA-N	385.489	2.096	0	1	GEAF	
Cc1c(O)ccc2c1[C@](C)(c1ccc3c(c1)NC(=O)[C@@H](C)O3)N[C@H](C(=O)O)C2	963523511	IGKIJLUSVDUXPS-JSKPFOEOSA-N	382.416	2.282	0	1	GEAF	
CC(C)CCC[C@H](C)CC[n+]1ccn(CC(P(=O)(O)O)P(=O)(O)O)c1	1857606897	DQVQVGCOJWOQNN-AWEZNQCLSA-O	397.369	2.310	0	1	GEAF	
Cn1ncc2cc(CC(=O)N=c3cnn(Cc4ccc(F)c(F)c4)[nH]3)ccc21	1857755196	AXNHBUZCZYTXFH-UHFFFAOYSA-N	382.374	2.094	0	1	GEAF	
CCCCCCN1CCS(=O)(=O)N(Cc2ccccc2)[C@H](C(=O)OC)C1	96020366	UCLZCAFWSVJXMS-SFHVURJKSA-N	382.526	2.256	0	3	GEAF	
O=C(COc1ccccc1)Nc1ccc(OCc2cc(O)n3ncnc3n2)cc1	15785797	TVUINMZVLQBIQI-UHFFFAOYSA-N	391.387	2.426	0	1	GEAF	
CNC(=O)c1cc([C@H](O)CN[C@@H](C)CCc2ccc3c(c2)OCO3)ccc1O	26989172	ZUISJROWNZWYHH-SCLBCKFNSA-N	386.448	2.125	0	1	GEAF	
CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1	27865246	XHUBOFDKYJWXHK-HXUWFJFHSA-N	392.503	2.291	0	1	GEAF	
Nc1ncnc2c1ncn2CCOC[P@]1(=O)OCC[C@@H](c2cccnc2)O1	28974808	QCQZZEMHOWRTHB-CEXHIMGSSA-N	390.340	2.149	0	1	GEAF	
CCO[C@@H](C1=C[C@@H]2C(C)=NN(c3ccccc3)[C@@H]2N=C1)[C@H](OC)[C@@H](O)COC	40879525	GQSWTDIVZVIBID-IFLJBQAJSA-N	387.480	2.263	0	1	GEAF	
CCCNC(=O)[C@@H]1O[C@@H]2O[C@H]1C(=O)N(Cc1ccccc1)[C@H]2Cc1ccccc1	45368514	XUMLTMSJLSGHRV-DZCCDHAISA-N	394.471	2.276	0	1	GEAF	
COC[C@@H](NC(C)=O)C(=O)NCc1ccc(OCCc2cccc(F)c2)cc1	49114480	YWGVTUKTXSJCMV-HXUWFJFHSA-N	388.439	2.215	0	1	GEAF	
O=C(CC1CC1)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2C(=O)c1ccccn1	95667419	RLYKYPAHMRTYLA-TZIWHRDSSA-N	391.471	2.063	0	1	GEAF	
Cc1cc(CNC(=O)c2nn(C)c3nc(OCc4ccccn4)ccc23)on1	103261385	FAFUGSGKZKRDLM-UHFFFAOYSA-N	378.392	2.169	0	1	GEAF	
C/C=C(/C)C(=O)O[C@H](C1=C(C)[C@H](O)OC1=O)[C@]1(C)[C@H](C)[C@@H]2CC[C@@H]1[C@H](OC)O2	104383175	YEMKZDPASIYASW-UUKRGLCJSA-N	394.464	2.480	0	1	GEAF	in-man
C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(c3ccc4nc5cn(C)ccc-5c4c3)C[C@H]12	137837623	YPQLDBBKFIYHOV-AQQIJUCISA-N	377.400	2.085	0	1	GEAF	
COCCCOc1cc([C@@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)ccc1C	203694259	RBBRALYPLIXTKS-OXQOHEQNSA-N	376.497	2.451	0	1	GEAF	
CC(C)(C)c1nccc(-c2cnc(NC(=O)N3C[C@@H]4C[C@@H]4[C@@H]3C(N)=O)s2)n1	230815855	DMOPXNHLKVNOOY-OUJBWJOFSA-N	386.481	2.235	0	1	GEAF	
CN1C[C@H](CC2SCCCS2)O[P@]1(=O)Oc1cnc(O)nc1O	299804769	HKSOOROQSDOSGM-PPRQPISWSA-N	379.400	2.292	0	1	GEAF	
C[C@@H]1CCC=C2C[C@@H]3OC(=O)[C@H](CN4CCC5(CC4)OCCO5)[C@@H]3[C@H](O)[C@@]21C	504796729	NIQPEHCERNDLQS-MGLXJDSRSA-N	391.508	2.110	0	1	GEAF	biogenic
Cn1nccc1CS(=O)(=O)Cc1nc2ccc(Br)c(F)c2[nH]1	586923251	HLPPWYGCNMYKRY-UHFFFAOYSA-N	387.234	2.313	0	1	GEAF	
CNS(=O)(=O)c1ccc(CCc2nc3cc(Br)ncc3[nH]2)cc1	586946284	IWDCJHWTAGIVGC-UHFFFAOYSA-N	395.282	2.414	0	1	GEAF	
CNS(=O)(=O)c1cc(-c2nc3c(Br)cc(F)cc3[nH]2)n(C)c1	586947603	VPFJXGMOAIHIJD-UHFFFAOYSA-N	387.234	2.378	0	1	GEAF	
Nc1cc2nc(CS(=O)(=O)Nc3ccc(N4CCCCC4)cc3)[nH]c2cn1	586951576	ZAFJLODBZDMORQ-UHFFFAOYSA-N	386.481	2.472	0	1	GEAF	
Nc1nc(O)c2nc(-c3cccc(=O)n3CCOc3ccccc3Cl)[nH]c2n1	587063944	FLYMCZQPTSSIAU-UHFFFAOYSA-N	398.810	2.202	0	1	GEAF	
CCS(=O)(=O)c1ccc2nc([C@@H]3CCCC[C@H]3C(=O)NCCOC)[nH]c2c1	587230025	DXWMAJOXGPCBAO-HUUCEWRRSA-N	393.509	2.393	0	1	GEAF	
COC(=O)c1c(CCNC(=O)OC(C)(C)C)[nH]c2ccc(S(C)(=O)=O)cc12	587651019	ZAJZQEGMQMVLII-UHFFFAOYSA-N	396.465	2.425	0	1	GEAF	
COC(=O)[C@@H]1C[C@@]23C4=C(CC[C@@H]41)CC[C@H]1CN4C[C@@H](C)[C@H](C=C[C@@]12CO)[C@]43O	2356581093	KJJSHRRLRCGALL-HWUKEOTNSA-N	385.504	2.101	0	1	GEAF	
CC1(C)O[C@@]23[C@H](O)[C@H]1[C@H](O)[C@H](OCc1ccccc1)[C@]2(C)CCC[C@@]3(C)O	2356708500	RYQNPYYRVCATRG-BJWFUVPOSA-N	376.493	2.412	0	1	GEAF	
COc1ccc(CCNC(=O)Nc2ccc3c(c2)c(=O)n(C)n3C)cc1OC	61908889	NOCORHUHBGQVSM-UHFFFAOYSA-N	384.436	2.258	0	3	GEAF	
COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N([C@@H](C)C(=O)NC(C)C)C(=O)[C@@]31C	2113420	GYMAJSAYPQXSNN-LAJNKCICSA-N	398.463	2.125	0	1	GEAF	biogenic
CC[C@@H](C)NCc1cccc(S(=O)(=O)c2csc(S(N)(=O)=O)c2)c1	13727905	ZBMVGQKSAIYMRW-LLVKDONJSA-N	388.536	2.116	0	1	GEAF	
COC(=O)N1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@@H](CN(C)C)C1	13832133	IYHYXKBLRAJUGQ-ZDUSSCGKSA-N	388.295	2.377	0	1	GEAF	
COc1cccc2c1CC[C@H]1CN(CCn3c(O)nc4ncccc4c3=O)C[C@@H]21	13863023	ZJHGMJHJDHEYNX-KBXCAEBGSA-N	392.459	2.168	0	1	GEAF	
CN(C)[C@@H]1c2ccccc2C2(CCN(C(=O)c3cn4ccccc4n3)CC2)[C@H]1O	20271201	WZDCBPMBRXTHRB-RTWAWAEBSA-N	390.487	2.486	0	1	GEAF	
COc1ccc([C@@H]2NN=C(c3cc(OC)c(OC)c(OC)c3)[C@@H]2O)cc1OC	28457063	DODNQFWFPSVSHU-PKOBYXMFSA-N	388.420	2.139	0	1	GEAF	
CC(C)[C@H]1C(=O)N[C@H](CO)Cc2cn3nc(C(F)(F)F)c4ccc(c2c43)N1C	29133002	CYRPAUWSHGGREB-NHYWBVRUSA-N	394.397	2.438	0	1	GEAF	
CN1CCc2nc(C(=O)NCCCNC(=O)c3ccc(Cl)s3)sc2C1	66099995	DFFILTHBYHHFFR-UHFFFAOYSA-N	398.941	2.396	0	1	GEAF	
Cn1cc(Nc2ncc(C(F)(F)F)c(N[C@@H]3[C@H]4CC[C@H](C4)[C@@H]3C(N)=O)n2)cn1	84688391	QZOGIXIGMUOFQB-FIDNZITISA-N	395.389	2.284	0	1	GEAF	
CC(=O)NCCCCNC(=O)c1[nH]cc(C(=O)O[C@@H]2C[C@@H]3CC[C@@H]2C3)c1C	101092383	GKVZLYPVWDZDLN-BFYDXBDKSA-N	375.469	2.315	0	1	GEAF	
COc1ccc([C@@H](CO)Nc2ncnc3c2CN(c2ccc(C)cn2)CC3)cn1	115000024	COHPLRFPNJNJIX-GOSISDBHSA-N	392.463	2.292	0	1	GEAF	
COCCOC1CCC2(CC1)Cc1ccc(Cl)cc1[C@]21N=C(N)N(C)C1=O	140690074	CTSKFXOISVNIHW-RGKRWLCDSA-N	391.899	2.470	0	1	GEAF	
CCc1ccc2c(c1)N1C(=O)C[C@@H]3OCC=C4CN(C)CC[C@]25C(=O)C[C@@H]4[C@@H]3[C@H]15	238743156	YVZSCHMJJIWFCR-SHWJQXDKSA-N	392.499	2.472	0	1	GEAF	
C=CN1CC[C@@H]([C@]2(c3cnccn3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C1=O	587438177	NGLUKRQBPRWAAM-PZPWOCDFSA-N	377.400	2.120	0	1	GEAF	
COc1cc([C@@H]2Oc3c(ccc4ccc(=O)oc34)O[C@@H]2CO)cc(OC)c1O	13400501	FCWOSPBWIBSFOO-QAPCUYQASA-N	386.356	2.389	0	1	GEAF	biogenic
CCC[C@@H](N)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1	13444835	ZRMVWXJDKQRJLR-HXUWFJFHSA-N	387.524	2.320	0	1	GEAF	
CN(C)CCc1cc2c(cc1[C@H](O)[C@H]1OC(=O)c3c1ccc1c3OCO1)OCO2	14612503	YLDLNSVEMCPXKU-OALUTQOASA-N	399.399	2.193	0	1	GEAF	biogenic
Cc1nc(C)c2c(n1)O[C@@H](Cn1ncc(N3CCc4ccccc4C3)cc1=O)C2	20869073	YZQGCQCQURKEHC-LJQANCHMSA-N	389.459	2.217	0	1	GEAF	
NC(=O)[C@@H](Cc1ccc(OCCOc2ccc3c(c2)NCCC3)cc1)C(=O)O	27108623	MHWIEYHQINRSIW-GOSISDBHSA-N	384.432	2.231	0	1	GEAF	
O=C(Nc1ccc(Cl)c(Cl)c1)O[C@H]1CO[C@@H]2[C@H](O[N+](=O)[O-])CO[C@H]12	40428665	UOKROXDYAHCUKB-IRCOFANPSA-N	379.152	2.285	0	1	GEAF	
Cc1cc(C)c2cc1C(=O)NCCCCNC(=O)CCSc1cc-2nc(N)n1	43200419	NZXRBMGZTMJGCP-UHFFFAOYSA-N	399.520	2.465	0	1	GEAF	
COc1cccc(CC(C)(C)NC[C@H](O)c2cc(O)cc3c2OCC(=O)N3)c1	45388606	DTNVYZQGITUDPJ-SFHVURJKSA-N	386.448	2.376	0	1	GEAF	
COc1cc(N)c(Cl)cc1C(=O)NCC1CCN(Cc2ncc[nH]2)CC1	114464659	JANPLEIOOUTRAY-UHFFFAOYSA-N	377.876	2.296	0	1	GEAF	
CNc1nc(Nc2ccc(C(=O)NC3COC3)cc2OC)ncc1C(F)(F)F	169705168	UBWKIDHGCUFXIQ-UHFFFAOYSA-N	397.357	2.418	0	1	GEAF	
C[C@H]1C[C@@H](C)CN(C(=O)[C@H]2CCCN2c2nnc(N3CCCC3=O)s2)C1	299872690	MEEBRGIODCIWRH-HZSPNIEDSA-N	377.514	2.138	0	1	GEAF	
CNC(=O)Cc1cc(-c2ccc(C(=N)N)cc2)oc1-c1ccc(C(=N)N)cc1	1772575258	RGPIQUMJAFOXNI-UHFFFAOYSA-N	375.432	2.470	0	1	GEAF	
C[C@](O)(c1cncnc1Nc1ccc(F)cc1)C1CCN(S(C)(=O)=O)CC1	1772627473	QYPYIXDNCYSWRV-GOSISDBHSA-N	394.472	2.238	0	1	GEAF	
O=C(O)[C@@H]1[C@@H](N=c2[nH]c(-c3c[nH]c4ncc(F)cc34)ncc2F)[C@H]2C=C[C@H]1C2	1857584706	KZDJFAFMNPTKLV-DMAMZFHHSA-N	383.358	2.407	0	1	GEAF	
COc1ccc(NC(=O)CCCN2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@H]3C2=O)c(OC)c1	2504267	VBIGSIOZBVFIGC-FUOYASODSA-N	384.432	2.230	0	1	GEAF	
C[C@@H]1Cn2cc(C(=O)O)c(=O)c3cc(F)c(N4CCCNCC4)c(c32)S1	3801939	HNPFYBVGMDGOKS-SNVBAGLBSA-N	377.441	2.133	0	1	GEAF	
O=C(NCCCN1CCN(c2ccc(F)cc2)CC1)[C@H]1COc2ccccc2O1	4734342	MQPUBCCGJAQITI-OAQYLSRUSA-N	399.466	2.294	0	1	GEAF	
COC(=O)C[C@H]1C=C[C@H](NC(=O)Nc2ccc(C(F)(F)F)cc2)[C@@H](CO)O1	95677644	PYGNPVIZRZQEAZ-HZSPNIEDSA-N	388.342	2.075	0	1	GEAF	
CCNC(=O)Nc1ccc(-c2nc(N3CCOC[C@@H]3C)c3c(cnn3C)n2)cc1	96283253	VTYVKKWVPPWPFR-ZDUSSCGKSA-N	395.467	2.397	0	1	GEAF	
CC(C)(C(=O)N[C@@H]1[C@H]2CC3C[C@@H]1C[C@@](S(N)(=O)=O)(C3)C2)c1ccccc1	101102610	NNKZNDAYDMLMIA-QDZYNAETSA-N	376.522	2.316	0	1	GEAF	
CCOC(=O)[C@@H]1CCCN(C(=O)Cn2ncc3c4ccccc4nc-3c2O)C1	102743380	DTSQXCJFQYOEMD-CYBMUJFWSA-N	382.420	2.043	0	1	GEAF	
CCN(CC)CCN1C(=O)C(=O)[C@@H](C(=O)c2ccc(C)o2)[C@H]1c1ccccn1	110929210	LWZDZFMLABTQBC-QZTJIDSGSA-N	383.448	2.276	0	1	GEAF	
CCc1c2c(nn1C)CCN(c1ncnn3c(C)nc(C4CCOCC4)c13)C2	169711739	AABSVGIKIMJOKS-UHFFFAOYSA-N	381.484	2.185	0	1	GEAF	
Cc1ccc(NC(=O)[C@@H]2[C@@H]3C=C[C@]4(CN(Cc5cccnc5)C(=O)[C@@H]24)O3)cc1	195410221	KKELNQXQWMMKDJ-JZJXAQOMSA-N	375.428	2.311	0	1	GEAF	
CC(C)N1CC[C@@H](S(=O)(=O)C[C@H]2C[C@@H](N(C)c3ncnc4[nH]ccc34)C2)C1	261153794	PMBVJRGBYOKWGM-OWCLPIDISA-N	391.541	2.070	0	1	GEAF	
CCCS(=O)(=O)N1CCC(c2nc3cc(OC)c(C(=O)OC)cc3[nH]2)CC1	586953171	PVTAJWNEHFVBQG-UHFFFAOYSA-N	395.481	2.277	0	1	GEAF	
CCO/C(O)=C1\C(C)=NC(=S)N[C@H]1c1ccc(OCC(=O)OC)c(OC)c1	617968701	JQFLMTLQINANGG-UYTDBDHRSA-N	394.449	2.443	0	1	GEAF	
Cc1c(O)ccc2c1[C@](C)(CCCOc1ccccc1C(N)=O)N[C@H](C(=O)O)C2	963505459	BFBBXDPZBBBEPL-AOMKIAJQSA-N	398.459	2.473	0	1	GEAF	
O=S(=O)(NC[C@]1(O)CCOc2ccccc21)c1cccc(Br)c1	1257884505	ZQHKPXVSXJVNCE-MRXNPFEDSA-N	398.278	2.398	0	1	GEAF	
O=c1cc(N2CCN(Cc3ccccc3)CC2)[nH]c(=O)n1Cc1ccc(F)cc1	59833466	OVWKHPYEPGDWBL-UHFFFAOYSA-N	394.450	2.046	0	3	GEAF	
Cc1c(N2C[C@H]3CCNC[C@@H]3C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12	6521014	QMMBMZUPEXXIEN-ZIAGYGMSSA-N	385.439	2.368	0	1	GEAF	
COc1cc(C2=NN(C(N)=O)[C@@H](c3ccc(O)cc3)C2)ccc1OCC(=O)O	28713533	GZXJNDZVHVLNAW-OAHLLOKOSA-N	385.376	2.094	0	1	GEAF	
CC(=O)c1c(Cl)n([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2cc(Cl)c(Cl)cc12	33505285	DLTDTXGOENZZDK-BPGGGUHBSA-N	394.638	2.416	0	1	GEAF	
COC(=O)C1=CO[C@@H](C)[C@H]2CN3CC[C@@]4(C(=O)Nc5cc(OC)ccc54)[C@@H]3C[C@H]12	37238444	SRKHGHLMEDVZRX-DWDJSLCVSA-N	398.459	2.071	0	1	GEAF	
Cn1c(N)nc2c(Oc3ccc4c(c3)CCN(CCC(=O)O)C4=O)cccc21	40872945	VREIRRHIFCOWDQ-UHFFFAOYSA-N	380.404	2.421	0	1	GEAF	
CCN1C(NCCCCO)=N[C@@H](CCc2ccccc2)[C@H](C(=O)OC)[C@@H]1C	66139073	ZWJWBCMKHNNTFV-YTQUADARSA-N	375.513	2.219	0	1	GEAF	
COc1cc(O)c([C@H]2Oc3cc(OC)c(OC)c(O)c3C(=O)[C@@H]2OC)cc1O	69482092	NHPWTKFADZKYEO-MJGOQNOKSA-N	392.360	2.161	0	1	GEAF	biogenic,in-vitro
O=C(Nc1ccccc1F)N[C@@H]1CC[C@H](CCNC(=O)C2CCC2)O[C@H]1CO	95903906	SNFIVQMNSFUFJY-OLMNPRSZSA-N	393.459	2.162	0	1	GEAF	
COc1ccc(S(=O)(=O)N[C@H](c2nc3cccc(C)c3[nH]2)[C@@H](C)O)cc1	586937316	SRDWQQDCFBKCKE-PXAZEXFGSA-N	375.450	2.280	0	1	GEAF	
O=C(N[C@H](Cc1nc2cc3nc(O)[nH]c3cc2[nH]1)C(=O)O)OCc1ccccc1	587206076	KFILKIQCYMVOAE-OAHLLOKOSA-N	395.375	2.067	0	1	GEAF	
COc1cc2c3c(c1)O[C@@](C)(c1cnc4cc(C(=O)O)nn4c1C)[C@@H](C2)C3=O	587436191	NAJMLPXUSZRQLL-FKIZINRSSA-N	379.372	2.407	0	1	GEAF	
COc1cc2c3c(c1)O[C@]1(C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C1)[C@@H](C2)C3=O	587436617	SECVSEXNTZABHR-QAJFTPDKSA-N	389.404	2.275	0	1	GEAF	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](CCCNS(C)(=O)=O)N1	587839835	IUSHOQKFRKZKEZ-XPTSAGLGSA-N	379.295	2.493	0	1	GEAF	
COc1ncnc(OC)c1[C@H]1c2ccccc2C[C@@]2(C3CCC3)C(=O)NC(=O)N12	962660249	GRALBOVVHXVAPF-IIBYNOLFSA-N	394.431	2.230	0	1	GEAF	
CCCN1[C@@H](C)Cc2ccccc2[C@]1(CC(C)=O)C1C(=O)N(C)C(=O)N(C)C1=O	963243038	RBNYDQVEVTXRGK-RCDICMHDSA-N	399.491	2.184	0	1	GEAF	
CN1[C@H]2CCC[C@H]1CC(NC(=O)c1cn(S(C)(=O)=O)c3ccc(F)cc13)C2	1772611440	WZOAGGKYISXAQX-GJZGRUSLSA-N	393.484	2.333	0	1	GEAF	
CN1[C@H]2CCC[C@H]1CC(OC(=O)c1nn(S(C)(=O)=O)c3ccccc13)C2	1772618806	APNSVTUVRDPGBR-STQMWFEESA-N	377.466	2.016	0	1	GEAF	
C[C@]1(C(=O)NCc2ccco2)Cc2c(-c3ccc(C(N)=O)cc3)ccnc2O1	61930873	CLURSSCMPGLBOG-OAQYLSRUSA-N	377.400	2.451	0	3	GEAF	
CCN(CC)C(=O)c1c(OC2CCN(C)CC2)c2cccnc2n2cnnc12	40393993	NVHCALLDNFRONM-UHFFFAOYSA-N	382.468	2.233	0	1	GEAF	
CC1=C(C(=O)OC2CCCC2)[C@@H](c2ccc(S(C)(=O)=O)cc2)NC(=O)N1	40567065	UQDOXYQRUIGLGX-MRXNPFEDSA-N	378.450	2.204	0	1	GEAF	
CC(=O)Oc1ccccc1C(=O)N1CCN(Cc2nc(C)c(C)nc2C)CC1	40949935	VOSIZJZNQQLYAQ-UHFFFAOYSA-N	382.464	2.285	0	1	GEAF	
C/C=C1/CN2[C@@H]3C[C@@]45c6cc(OC)c(OC)cc6N[C@]4(O3)[C@@H]2C[C@@H]1[C@H]5C(=O)OC	45369043	CRKDVBVOAIRDNW-LWSMPMPHSA-N	398.459	2.263	0	1	GEAF	
Cc1nc(-c2ccccc2Cc2nc3c(cnn3C3CCOCC3)c(=O)[nH]2)n[nH]1	68247261	NWFXWIYXHADGFE-UHFFFAOYSA-N	391.435	2.155	0	1	GEAF	
COc1ccccc1C(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)C1CC1	95894420	HWFQZCDSAFHHGJ-SBHAEUEKSA-N	392.455	2.421	0	1	GEAF	
COc1cccc([C@H]2[C@@H](C(=O)c3ccc(C)o3)C(=O)C(=O)N2CCCN(C)C)c1	110754950	SURLSKDZECACTH-OALUTQOASA-N	398.459	2.500	0	1	GEAF	
CCNC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1	167003218	JXHOIKQCRPCXSU-CQSZACIVSA-N	380.448	2.489	0	1	GEAF	
Cc1nc2c(s1)CCN(C(=O)c1cc3ncc(Br)cn3n1)CC2	205121794	PPBYGUATKIHBBC-UHFFFAOYSA-N	392.282	2.498	0	1	GEAF	
COC(=O)[C@@]1(O)C(=O)c2c(O)cccc2C12Oc1cccc3cccc(c13)O2	299833752	ILTAFHSQIBJTEW-FQEVSTJZSA-N	378.336	2.270	0	1	GEAF	
O=S(=O)(NCCc1nc2ccnc(O)c2[nH]1)c1c(Cl)cccc1Cl	586941936	FIMHSGTWHCQFFH-UHFFFAOYSA-N	387.248	2.491	0	1	GEAF	
Cc1ccc(OCc2nc3ccc(C(=O)N4CCN(CCO)CC4)cc3[nH]2)cc1	587565680	PPKGMMOYMUQELO-UHFFFAOYSA-N	394.475	2.200	0	1	GEAF	
O=Cc1cnc2n1C=CC[C@]21N[C@H](C(=O)O)Cc2cc(OC(F)(F)F)ccc21	962646708	WYRUGKOIIZKBBH-WMLDXEAASA-N	393.321	2.311	0	1	GEAF	
Cc1ccc(S(=O)(=O)N2CC[C@@]3(C2)NCCc2c(C(=O)O)cccc23)cc1	963130580	KDPUBXRXDVPBIR-FQEVSTJZSA-N	386.473	2.129	0	1	GEAF	
O=C(C1CC1)N1CCN(c2ncc(-c3cc4c(O)cccc4c(O)n3)cn2)CC1	1772649788	CGCDHJMIPBKMAH-UHFFFAOYSA-N	391.431	2.162	0	1	GEAF	
Cc1ccc(NC[C@@H](O)CN2CCN(c3cccc4c3CCC(=O)N4)CC2)cc1	1857543699	KOUVEESEULXKKP-LJQANCHMSA-N	394.519	2.475	0	1	GEAF	
CO[C@@H]1CNC(=O)N(C[C@H](O)Cn2c3ccc(F)cc3c3cc(F)ccc32)C1	1857638853	KNJPHYCUACQSBX-LSDHHAIUSA-N	389.402	2.474	0	1	GEAF	
COc1ccc([C@@H]2[C@H](CO)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1O	1857775258	JJGIUCCUMYQUIO-SCLBCKFNSA-N	389.404	2.123	0	1	GEAF	
COc1ccc(-c2c(C)nc3c(N4CC[C@@H](NC(C)=O)C4)cc(C)nn23)cn1	1911576619	RTINQDNIPSHVFN-MRXNPFEDSA-N	380.452	2.132	0	1	GEAF	
COCC(=O)N[C@@H]1[C@H](c2cccs2)N(C(=O)CC(C)(C)C)CC[C@]1(C)O	2356288330	ATWUVRKQIVDTGS-SCTDSRPQSA-N	382.526	2.340	0	1	GEAF	
NCCc1cc(Br)c(OCCCNC(N)=O)c(Br)c1	2356792424	JRWJKYPFYWXIDU-UHFFFAOYSA-N	395.095	2.150	0	1	GEAF	
O=C(Cn1cc2c(n1)CCCC2)NCCCN1CCN(C2CCCCC2)CC1	20415884	PVKZNJHCJGZFLF-UHFFFAOYSA-N	387.572	2.219	0	3	GEAF	
CCOC(=O)N1CCC(N2CCN(Cc3ccccc3)[C@H](CCO)C2)CC1	38149288	CPLCPMLKMRDBFS-HXUWFJFHSA-N	375.513	2.176	0	3	GEAF	
CO[C@]12COC(=O)[C@H]1[C@H](c1ccc3c(c1)OCO3)c1cc3c(cc1O2)OCO3	1640584	LKMOYPCVIIXXNG-GGPKGHCWSA-N	384.340	2.184	0	1	GEAF	
C[C@]12C=C[C@@]3(CN(Cc4ccccc4)C(=O)[C@@H]3[C@@H]1C(=O)NCc1ccco1)O2	4143142	OWGQHWVHMOBBLL-KSCDAYEDSA-N	378.428	2.268	0	1	GEAF	
COc1cc2c(cc1OC)[C@@H]1C[C@H]3[C@H](CCCN3S(C)(=O)=O)CN1[C@@H](C)C2	13820247	SQUYVGWOAPFRMA-DACLVMHWSA-N	394.537	2.435	0	1	GEAF	
Cc1nnc(C(=O)[C@@H]2C[C@H](F)CN2C(=O)CNC23CC4CC(CC(C4)C2)C3)o1	28823381	AXOWQXJUIMEKIY-PGPWEFTKSA-N	390.459	2.058	0	1	GEAF	
CC[C@H](C(=O)NC1[C@H]2CC3C[C@@H]1CC(C(N)=O)(C3)C2)N1CCCC(F)(F)C1	36286353	JPMYVYXSNDIXGT-RUIIAFCPSA-N	383.483	2.293	0	1	GEAF	
CCCc1ccc(Cc2sc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2C)cc1	72118684	HDZGUPFVEHRNJD-GRARQNNCSA-N	392.517	2.115	0	1	GEAF	
O=C(C[C@@H]1CC[C@H](NC(=O)C2CCC2)[C@@H](CO)O1)NCc1ccccc1Cl	95905108	DLKBRBFAHGAPTH-RYQLBKOJSA-N	394.899	2.171	0	1	GEAF	
O=C(NC1CCCCCC1)[C@H]1[C@@H]2C=C[C@]3(CN(Cc4cccnc4)C(=O)[C@@H]13)O2	100289109	UOCISZFZWYHAPM-PSHVLCQKSA-N	381.476	2.203	0	1	GEAF	
COC(=O)[C@H]1C[C@H](O)C[C@@H]2[C@@H]1C(=O)C[C@@H]1C(=O)O[C@H](c3ccoc3)C[C@]12C	100780949	LPHWMSVPEOJPHG-SPRWXSCLSA-N	376.405	2.039	0	1	GEAF	endogenous,in-man
O=C(NCc1ccc(F)cc1)[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3)C[C@@]23C=C[C@H]1O3	102124644	JHYKCQQQKZVQMB-AWWSKVOZSA-N	392.430	2.424	0	1	GEAF	
Cc1ccc([C@H]2CCN(C(=O)OC3[C@H]4CC5C[C@H]3CC(C(N)=O)(C5)C4)C2)nn1	205300541	YZSLJAVCHHVZPG-YDXKZDGZSA-N	384.480	2.391	0	1	GEAF	
COc1cc(OC)c2[nH]c(CNC(=O)CNC(=O)OCc3ccccc3)nc2c1	587227441	MVAYVZLKZVVYSD-UHFFFAOYSA-N	398.419	2.123	0	1	GEAF	
CCOC(=O)C(=O)C[C@@]1(c2cccnc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	587436334	OAEFUGGOMIHFIV-VFNWGFHPSA-N	381.384	2.255	0	1	GEAF	
COc1cc2c3c(c1)O[C@H]([C@@H]1CN(C(=O)OC(C)(C)C)CCO1)[C@@H](C2)C3=O	587437832	LOICRCNEGXTLPS-YEWWUXTCSA-N	375.421	2.447	0	1	GEAF	
COc1ccc(-c2nc3nc(O)nc(O)c3cc2CC(=O)CCC(=O)O)cc1	587560265	ZZEHHPZKYAETRN-UHFFFAOYSA-N	383.360	2.088	0	1	GEAF	
CCn1ncc2c1CC[C@H](N=c1nc3c(-c4cncc(OC)c4)cccn3[nH]1)C2	1857751258	VZUXGNJWSXEGLG-INIZCTEOSA-N	389.463	2.408	0	1	GEAF	
Cc1cccc(S(=O)(=O)NC(=O)[C@@]2(C)CCN2C(=O)c2sccc2C)c1	61925898	YAMILQMPRYJNLX-GOSISDBHSA-N	392.502	2.475	0	3	GEAF	
COC(=O)c1cccc(-n2c(=O)n(Cc3ccccc3)c(=O)c3cccnc32)c1	596794	FOADQMRZICRWFW-UHFFFAOYSA-N	387.395	2.382	0	1	GEAF	
COc1c2c(cc3ccoc13)C(=O)[C@]1(O)c3cc4c(cc3OC[C@@H]1O2)OCO4	3596884	DDGYXSWHWAQNRQ-YWZLYKJASA-N	382.324	2.394	0	1	GEAF	endogenous,in-man
C[C@@H](C[P@](=O)(O)C[C@@H](CCC(=O)O)C(=O)O)C(=O)OCc1ccccc1	13470285	NYUFUODXMXEYLV-GXTWGEPZSA-N	386.337	2.202	0	1	GEAF	
COc1ccc(Nc2ncc(CN3CCN(c4cn[nH]c(=O)c4)CC3)s2)cc1	23128992	XWFQMZZOWWBRRC-UHFFFAOYSA-N	398.492	2.301	0	1	GEAF	
COc1ccc2c(Cc3nc4c([nH]3)c(=O)n(C)c(=O)n4CC(C)C)cncc2c1	28882162	GFNFAFKKZDVOOR-UHFFFAOYSA-N	393.447	2.227	0	1	GEAF	
CN(CCN1CCCCC1)C(=O)N1CCC2(CC1)NC(=O)c1ccccc1N2	45505870	JTBTVMJVGXQORV-UHFFFAOYSA-N	385.512	2.172	0	1	GEAF	
O=C1[C@H]2C=C(I)[C@H](C[C@@H]2OCCCCCCO)[C@]12CO2	58538601	QFMSBBZGQQICDX-TZQJONAQSA-N	392.233	2.231	0	1	GEAF	
CCC(=S)NC[C@H]1CN(c2ccc(-c3nnc4ncccn34)cc2)C(=O)O1	71416581	WIPUVGXMPJCMDN-AWEZNQCLSA-N	382.449	2.444	0	1	GEAF	
O=C(CC1CC1)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2Cc1ccccn1	95794021	WUXVANVITFJQQY-RBBKRZOGSA-N	377.488	2.423	0	1	GEAF	
O=S1(=O)CCCN1C[C@@H](O)Cn1c2ccc(F)cc2c2c(F)cccc21	148470456	FVXUGRUWZZRPFX-CYBMUJFWSA-N	380.416	2.469	0	1	GEAF	
NCCNc1cc(N2CCS(=O)(=O)c3ccccc3C2)nc2ccccc12	205294038	JNACYIAAASPWDA-UHFFFAOYSA-N	382.489	2.399	0	1	GEAF	
O=C(OCc1ccccc1)N1C[C@H]2Cc3nc4nc(O)nc(O)c4cc3[C@H]2C1	587558888	VBOQDYMAXKWBBI-DOMZBBRYSA-N	378.388	2.344	0	1	GEAF	
COc1ccc(-c2nn(-c3ccccc3)cc2-c2nnn(CC(=O)O)n2)cc1	1857569712	REYIHGCDXHKNDY-UHFFFAOYSA-N	376.376	2.286	0	1	GEAF	
CC1(C)CC(=O)N(CC(=O)NCc2ccccc2)c2ccccc2S1(=O)=O	5084321	MDQMUINYIHRRAK-UHFFFAOYSA-N	386.473	2.292	0	3	GEAF	
CCCCNC(=O)[C@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1cnccn1	4533593	ULULASVPKPBVJK-IEBWSBKVSA-N	382.464	2.193	0	1	GEAF	
O=C(CCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1C=C[C@H]2[C@@H]2C[C@H]12)Nc1ccc(Cl)cc1O	13845534	CAXIQVSZUQAKEM-ITQVKKSDSA-N	386.835	2.427	0	1	GEAF	
CC(C)(CNC(=O)c1coc(COc2cccc(F)c2F)n1)N1CCOCC1	14951134	OLXMARXBJZUOQA-UHFFFAOYSA-N	395.406	2.372	0	1	GEAF	
C[C@H]1CCC[C@@H](C)C1OC(=O)[C@H](NC(=O)[C@@H](N)CC(=O)O)c1ccccc1	26004258	GKBCQEIQIMXSPJ-DJMIFQDTSA-N	376.453	2.014	0	1	GEAF	
CC(C)CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCC(=O)O	29568412	IIRJFVOPVAWNSL-INIZCTEOSA-N	375.425	2.052	0	1	GEAF	
C[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N1Cc2ccccc2[C@H]1C(=O)O	36222701	CUKQMSYVQGXHKG-JVPBZIDWSA-N	396.443	2.219	0	1	GEAF	
CN(C)c1ccc(C(=O)OC[C@@]2(CO)C/C(=C\c3cccnc3)C(=O)O2)cc1	45498552	NWJCYPGKSMWHKD-KRWRZEAGSA-N	382.416	2.066	0	1	GEAF	
CCCCOC(=O)COC(=O)[C@@H](C)NC(=O)c1coc(-c2cccs2)n1	82083913	HRVLNHFXGQIJCN-LLVKDONJSA-N	380.422	2.408	0	1	GEAF	
CN1CCN(Cc2ccc(-c3cccc4nc(NC(=O)C5CC5)nn34)cc2)CC1	96174620	SXWRNFZIFKCSFO-UHFFFAOYSA-N	390.491	2.492	0	1	GEAF	
Nc1ccc(-c2ccncc2)nc1C(=O)Nc1cnccc1N1CCC[C@H](N)C1	103236841	BBACLPBEICBLTD-HNNXBMFYSA-N	389.463	2.301	0	1	GEAF	
COc1ccc(C2(c3ccc(OC)cc3)N=C(N)N(C[C@@H]3CCCO3)C2=O)cc1	218815477	ITXKGDQZHYKUFU-IBGZPJMESA-N	395.459	2.283	0	1	GEAF	
COc1cc(OC)c2[nH]c(COc3ccc(S(N)(=O)=O)cc3C)nc2c1	586930892	VCFQDQAHUWVOLD-UHFFFAOYSA-N	377.422	2.115	0	1	GEAF	
COC(=O)c1cc2[nH]c(Cc3ccccc3NS(C)(=O)=O)nc2cc1OC	586950576	ZCZWUDPCTHKSJY-UHFFFAOYSA-N	389.433	2.320	0	1	GEAF	
COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2ccc(S(C)(=O)=O)cc2[nH]1	587231515	XTUIGQWLOBUAKC-KBPBESRZSA-N	379.482	2.003	0	1	GEAF	
COc1cc2c3c(c1)O[C@](CCN1CCOCC1)(c1cn(C)nc1C)[C@@H](C2)C3=O	587429901	BRDXZVDWUIODOW-JTSKRJEESA-N	397.475	2.102	0	1	GEAF	
COC(=O)Cn1cccc1[C@@H]1c2ccccc2C[C@@]2(C3CCC3)C(=O)NC(=O)N12	962672904	UGFSJRLJXFGMCQ-SIKLNZKXSA-N	393.443	2.397	0	1	GEAF	
COc1cccc2c3c(cnc12)CCN[C@]3(CS(=O)(=O)N(C)C)C(C)C	963049958	WXLOEIWQGKRVEI-LJQANCHMSA-N	377.510	2.132	0	1	GEAF	
Cc1cc2c(cc1O)[C@H](c1ccc3c(ccn3CC(=O)O)c1)N[C@H](C(=O)O)C2	963528625	UXIRUOWPPLHQPU-JXFKEZNVSA-N	380.400	2.428	0	1	GEAF	
Cc1cn2cc(NC(=O)c3cc(F)c(N4CCN[C@H](C)C4)cc3F)ncc2n1	1772657502	PINDEFOBZXFREY-LLVKDONJSA-N	386.406	2.366	0	1	GEAF	
Cc1c(C(=O)N2CCc3ccccc3C2)cnn1-c1nc(O)c2c(n1)CCC2	1857595064	KKHHQNOWMVNMKF-UHFFFAOYSA-N	375.432	2.364	0	1	GEAF	
COc1ccc(NC(=O)C2CCN(c3[nH]c(=N)nc4scnc34)CC2)cc1	1857640941	AJJRMICGPBBFAF-UHFFFAOYSA-N	384.465	2.363	0	1	GEAF	
COc1cc2c(cc1OC)C(=O)[C@H](C(=O)OC[C@@H]1C[N@@]1Cc1ccccc1)C2	1857744124	CJCRSGVCWCGTRH-PRCFCKQXSA-N	381.428	2.486	0	1	GEAF	
COc1ccc([C@]2(O)c3cc4c(cc3C(=O)[C@@](C)(O)[C@@H]2C)OCO4)cc1OC	2356748604	KCRPLGSCZIUOOU-MWECQKEOSA-N	386.400	2.252	0	1	GEAF	
O=C(O)CSc1nc2c(Br)c(N3CCOCC3)c(F)cc2[nH]1	5127392	QZVBQNAGPZEZBF-UHFFFAOYSA-N	390.234	2.478	0	1	GEAF	
C[C@H]1CCCC[C@@H]1NC(=O)CN1C(=O)N[C@@](C)(c2cc(F)ccc2F)C1=O	13126694	NXEKPOXBGMWIQE-LLJZQGTPSA-N	379.407	2.427	0	1	GEAF	
CN(C)CCCOc1ccc(CN2CC[C@H](NC(=O)c3ccncc3)C2)cc1	28472573	FQBSGBWFFYVWDA-FQEVSTJZSA-N	382.508	2.416	0	1	GEAF	
Nc1ccccc1C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1	29125992	WDUCWZFFDVNBNZ-MRXNPFEDSA-N	386.883	2.043	0	1	GEAF	
CNCc1cn(S(=O)(=O)c2cncc(F)c2)c(-c2cccnc2F)c1F	68201797	PKVQYVUTTKAEBW-UHFFFAOYSA-N	382.367	2.319	0	1	GEAF	
COC(=O)c1ccc2c(c1)[n+]([O-])c(C(=O)c1ccccc1)c(C(F)(F)F)[n+]2[O-]	96911075	ONGMHPBUFDACHA-UHFFFAOYSA-N	392.289	2.143	0	1	GEAF	
CC[C@H](c1nc2c(cnn2C2CCOCC2)c(=O)[nH]1)N1CC(c2ccccn2)C1	116978708	COKQFQABDOCGAG-GOSISDBHSA-N	394.479	2.417	0	1	GEAF	
CNC(=O)[C@@H](NC(=O)c1ccc(C2CC2)c(OC[C@H]2CCCO2)n1)C(C)(C)C	150191022	JHZBJIARSBGHJQ-RHSMWYFYSA-N	389.496	2.407	0	1	GEAF	
Cc1ccc(NC(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(Cc5cccnc5)C(=O)[C@@H]24)O3)cc1	169364468	KKELNQXQWMMKDJ-VWNVYAMZSA-N	375.428	2.311	0	1	GEAF	
Cc1onc(-c2ccc(Cl)cn2)c1CO[C@@H](O)Cc1ccc(C(N)=O)cn1	169707493	AVNXOZAFFHLRIQ-MRXNPFEDSA-N	388.811	2.270	0	1	GEAF	
CCCc1c(O)ccc2c1O[C@@](c1ccc(NC(C)=O)cc1)(C(O)O)CC2=O	587470051	LPRYPHGMFVMUAS-NRFANRHFSA-N	385.416	2.475	0	1	GEAF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(NCC(=O)O)nc2)N1	587757481	VBPMMSJKENGRBH-GLEZIHRCSA-N	395.232	2.498	0	1	GEAF	
COc1ccc(-c2cc(C(=O)N[C@@H](CO)Cc3ccccc3)n(C)n2)cc1OC	621430448	WFYYPBMALPRPFA-QGZVFWFLSA-N	395.459	2.438	0	1	GEAF	
CO[C@H]1CNC(=O)N(C[C@H](O)Cn2c3ccc(F)cc3c3cc(F)ccc32)C1	1857638851	KNJPHYCUACQSBX-GJZGRUSLSA-N	389.402	2.474	0	1	GEAF	
CCN(CC)C[C@H]1CN2CC[C@H]1C[C@H]2CNS(=O)(=O)c1ccc(C)cc1	2356540256	RKCOQACAOFZCOO-FHWLQOOXSA-N	379.570	2.326	0	1	GEAF	
CC[C@@H]1[C@@H]2OC(=O)[C@](C)(O)[C@@H]2[C@@H]2CCCN3[C@H]([C@@H]4C[C@H](C)C(=O)O4)CC[C@H]3[C@@H]12	2356698816	PMKAPBDTZVDGSB-ZOQHJLCKSA-N	391.508	2.130	0	1	GEAF	
O=C1O[C@@H]2[C@@H]3[C@@H]([C@@H]1C[C@H]2O)N(c1ccccc1)C(=S)N3Cc1cccs1	2356830981	JKSGIMZOACMFFD-BIVLZKPYSA-N	386.498	2.399	0	1	GEAF	
COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C	13802630	NYKOLHPEIYBSEO-PMACEKPBSA-N	382.460	2.005	0	1	GEAF	
CCSCC[C@@H](NC(=O)Cc1c(C)c2ccc(O)c(C)c2oc1=O)C(=O)O	15954925	GYSUNRIZRDUUCF-CQSZACIVSA-N	393.461	2.371	0	1	GEAF	biogenic
COc1ccc2c(c1)N(C(=O)CN(C)C)c1ccccc1N(C)S2(=O)=O	28766651	RIKVHMYOINLJIL-UHFFFAOYSA-N	375.450	2.060	0	1	GEAF	
CC(C)NC(=O)Nc1ccc2c(c1)CC(=O)N(C)C[C@@H](C)[C@H](CN(C)C)O2	95663933	WMMFWTNLFGFEGR-KDOFPFPSSA-N	376.501	2.176	0	1	GEAF	
CNC[C@@H]1Oc2ncc(-c3ccc(C)cc3)cc2C(=O)N([C@H](C)CO)C[C@@H]1C	95709570	JKHLNYMUPUVSIB-YRNRMSPPSA-N	383.492	2.497	0	1	GEAF	
O=C(NC1[C@H]2CC3C[C@H]1CC(O)(C3)C2)c1cnc(N[C@@H]2CCOC2)nc1C1CC1	101584630	DFVVWZTUNUJGGE-XENNGEQTSA-N	398.507	2.224	0	1	GEAF	
COc1cc(N/C(=C/[N+](=O)[O-])NCCCn2cncc2C)cc(OC)c1OC	139688555	DRBBILLFANXMKL-GZTJUZNOSA-N	391.428	2.385	0	1	GEAF	
COc1c(CCC(=O)O)cc(NS(=O)(=O)c2cccs2)c2c1OCO2	209655134	OQSFIKDVHDGZCO-UHFFFAOYSA-N	385.419	2.303	0	1	GEAF	
C/C=C1/C=[N+]([O-])[C@@H]2C[C@H]1[C@@H](C(=O)OC)[C@@]13C[C@@H](OC)O[C@@]21Nc1ccccc13	238750387	WHAYYXYTINYKPT-ZEEVWDNVSA-N	384.432	2.158	0	1	GEAF	
C[C@@H]1CC[C@]2(O)[C@@]13CC(=O)[C@@]1(C)[C@@](OC(=O)c4ccccc4)(OC[C@@]12C)[C@H]3O	257389515	BRRTVYWNYBLCAX-ASWRQNPGSA-N	386.444	2.077	0	1	GEAF	
COc1cccc([C@H]2C3=C(COC3=O)N(CCO)c3cc(OC)c(OC)cc32)c1	299829652	UYGMKVIOHGXPGL-HXUWFJFHSA-N	397.427	2.468	0	1	GEAF	
Cc1ccc(CN2C[C@H]3[C@@H](C(=O)NCC(C)C)CCS(=O)(=O)[C@H]3C2)cc1	299843175	NTFBIAIYHAUOSH-FHWLQOOXSA-N	378.538	2.002	0	1	GEAF	
COC(=O)c1ccc2nc([C@H](CC(=O)O)NC(=O)OCc3ccccc3)[nH]c2n1	587202425	IANQTBPULSYCQJ-AWEZNQCLSA-N	398.375	2.187	0	1	GEAF	
NC(=O)c1c(F)ccc(OCc2nn(-c3cccc(Cl)c3)c(=O)o2)c1F	1857607802	YDNDOFMYYUJGRH-UHFFFAOYSA-N	381.722	2.435	0	1	GEAF	
COCCN1CCN(C(=O)CCc2nnc(CCC3CCCCC3)o2)CC1	23128898	SMJPDFSMAKRJPS-UHFFFAOYSA-N	378.517	2.306	0	3	GEAF	
CC(C)CNc1ccc2c(n1)C(=O)N([C@H](C)C(=O)N[C@H](CO)c1ccccc1)C2	206020061	CTQJPFKEUXAKDQ-CRAIPNDOSA-N	396.491	2.344	0	3	GEAF	
COc1ccc(-c2noc([C@@H]3C[C@H](NC(=O)c4ccccn4)CN3C)n2)cc1	12529914	RETYDXPDZURTEW-YOEHRIQHSA-N	379.420	2.315	0	1	GEAF	biogenic
N[C@@]1(C(=O)O)[C@H](OC(c2ccccc2)c2ccccc2)C[C@@H]2[C@H]1[C@@]2(F)C(=O)O	13582231	JDGNIRIWWBLMNA-NROPHMHMSA-N	385.391	2.386	0	1	GEAF	
C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)N[C@@H](C)[C@H](O)c1ccccc1	13649026	YHIDQBIFQWZPKR-JMERFSKESA-N	376.403	2.250	0	1	GEAF	
CS(=O)(=O)Nc1cc([C@@H](O)CNC23CC4CC(CC(C4)C2)C3)ccc1O	26825227	QRIYMRKDVRWWCY-VLZNNYHMSA-N	380.510	2.356	0	1	GEAF	
CCCC(CCC)CN(C(=O)OC(C)(C)C)S(=O)(=O)NCC(=O)OC	40977352	PMVWEWCBXMUODK-UHFFFAOYSA-N	380.507	2.447	0	1	GEAF	
CCC(=O)N(Cc1ccc(S(C)(=O)=O)cc1)c1cccc(-c2nnn[nH]2)c1	84706949	RIOFPCJVGBVDRQ-UHFFFAOYSA-N	385.449	2.213	0	1	GEAF	
CN(CCCCN1CCN(c2ncccn2)CC1)C1=Nc2ccccc2OC1	100831426	DPQJSJNBLNVACO-UHFFFAOYSA-N	380.496	2.433	0	1	GEAF	
N=C(N)c1ccc([C@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3[C@H]3CCCN32)cc1	101179984	QKVYJJDWLBNNSF-WCIQWLHISA-N	388.471	2.291	0	1	GEAF	
CCCc1nccn1[C@H](CC(=O)OCC)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1OC	103280063	YMWINJDXMNADPA-SOGIYBJLSA-N	382.457	2.221	0	1	GEAF	
Cc1nc([C@H]2CCOC2)c2c(N3CCn4ncc(C(F)(F)F)c4C3)ncnn12	169711682	ZCXGXHHGTNLQOC-NSHDSACASA-N	393.373	2.172	0	1	GEAF	
Cc1cnc(C(=O)Nc2ccc(F)c([C@@]3(C(F)F)N=C(N)O[C@@H]4C[C@@H]43)c2)cn1	226076534	SIQCPFMGRNDORT-UCMVZMLTSA-N	391.353	2.370	0	1	GEAF	
CN(C)CCn1c(=O)sc2cc(S(=O)(=O)N(C)c3ccccc3)ccc21	299866409	OWRMKSNDHGRKHU-UHFFFAOYSA-N	391.518	2.450	0	1	GEAF	
COC(=O)CC1(CC(=O)OC)N[C@H](C)Cc2cc(Br)c(F)cc21	587806500	JMNXCVATOFGFGM-SECBINFHSA-N	388.233	2.444	0	1	GEAF	
C[C@@H]1OC(c2ccccc2O)=N[C@@H]1C1=NC[C@@H](C2=N[C@H](C(=O)O)CS2)S1	2356795692	MJFSVXKNKROZMR-JBSCMGISSA-N	391.474	2.039	0	1	GEAF	
CCOC(=O)C1CCN(C(=O)CN2C(=O)[C@H](CC)Oc3ccc(C)cc32)CC1	2934157	DSPCVJQETUFWLN-KRWDZBQOSA-N	388.464	2.301	0	1	GEAF	
NCCCn1c2ccccc2c2c3c(c4c(c21)CC[C@@H](O)CC4)C(=O)NC3=O	5939927	QWQBZKFBTBWKBQ-LBPRGKRZSA-N	377.444	2.267	0	1	GEAF	
CC[C@@H]1CN(C(=O)N2CCC(C(=O)NCCN(C)C)CC2)c2ccccc2O1	6846175	YMSRJQOCGOQMHQ-QGZVFWFLSA-N	388.512	2.174	0	1	GEAF	
CNc1c(F)c(N2CCN(C)CC2)c(F)c2c1c(=O)c(C(=O)O)cn2C1CC1	29396004	ISOAWSGILRYNDU-UHFFFAOYSA-N	392.406	2.106	0	1	GEAF	
NC(=O)c1cccc2cn(-c3ccc(C(=O)NCCN4CCCCC4)cc3)nc12	45351213	ULVFRRVSDXFDPR-UHFFFAOYSA-N	391.475	2.340	0	1	GEAF	
Cc1ccccc1-c1nc(C(=O)N2CCC[C@@H]2C(=O)N2CCCNCC2)co1	82073124	CTZXROIOLKSEGE-GOSISDBHSA-N	382.464	2.077	0	1	GEAF	
Cc1ccc(-c2nc(C(=O)N[C@@H](COCc3ccccc3)C(N)=O)co2)cc1	82074404	DOLFPIVZNHCLSK-KRWDZBQOSA-N	379.416	2.451	0	1	GEAF	
COC1CCC2(CC1)Cc1ccc(OC(F)F)cc1[C@@]21N=C(N)N(C)C1=O	140740909	PLCXVSJDQWFUAK-QNMGIUOZSA-N	379.407	2.402	0	1	GEAF	
CCOC(=O)[C@]1(C)N[C@@H](c2ccc(O)cc2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21	169299915	WDRCVSJEVWHPTC-QSNWEANLSA-N	394.427	2.164	0	1	GEAF	
O=C(NC[C@@H]1CCCO1)c1ccc(NC(=O)[C@H]2[C@@H]3C=C[C@H](C3)[C@@H]2C(=O)O)cc1	195401029	BHCOCGLYBMEHSY-SSGTUYFUSA-N	384.432	2.057	0	1	GEAF	
O=C1CCN(c2ccccc2C(=O)NCc2ccc(-n3cccn3)cc2)C(=O)N1	473114690	OWLIGWULYLQYLA-UHFFFAOYSA-N	389.415	2.249	0	1	GEAF	
O=C(Nc1ccc(NC2=NCCN2)c(Cl)c1)c1ccc(NC2=NCCN2)cc1	473115332	RZRDBTPEIPCUHV-UHFFFAOYSA-N	397.870	2.335	0	1	GEAF	
COC(=O)c1cc2nc(C3=CCC(=O)N(Cc4ccc(F)cc4)N3)[nH]c2cn1	587162372	AHDRFJIFKJMKIN-UHFFFAOYSA-N	381.367	2.162	0	1	GEAF	
COC(=O)c1ccnc2[nH]c([C@@H](CCN(C)C)NC(=O)OC(C)(C)C)nc12	587194489	URIXEMKXSKWPAY-GFCCVEGCSA-N	377.445	2.262	0	1	GEAF	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnn([C@]3(C)CCS(=O)(=O)C3)c1)O2	587410482	NPMHNPGNNXGZRB-SJLPKXTDSA-N	375.450	2.014	0	1	GEAF	
Nc1ccccc1C(=O)O[C@@H]1CCN2C[C@H]3C[C@@H](CN4C(=O)CCC[C@@H]34)[C@H]2C1	2356690161	OEPJRGZBPIEMEZ-VQEGESQYSA-N	383.492	2.289	0	1	GEAF	
COCC(=O)N1CC[C@H]2NC(=O)N(c3ccc(Oc4ccccc4)cc3)C(=O)[C@H]21	4278024	ALEBGXFKMRAJDO-MJGOQNOKSA-N	395.415	2.151	0	1	GEAF	biogenic
CCn1c(-c2ccc(O)c(OC)c2)nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1	12540909	NIOUOUMZMMDJLJ-UHFFFAOYSA-N	392.415	2.336	0	1	GEAF	
CC1(C)CN(c2c(F)c(N)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)CCN1	29396281	UXLMYLRKHWMRJI-UHFFFAOYSA-N	392.406	2.083	0	1	GEAF	
Cn1c(=O)nc2n(CCC3CC3)nc(C34CC5CC(CC(C5)C3)C4)nc-2c1=O	49112654	AVOMWSVPPURVLF-UHFFFAOYSA-N	381.480	2.105	0	1	GEAF	
Cc1nn2c(=O)cc(N3CCOCC3)nc2n1Cc1cccc(Cl)c1Cl	84619691	JERUPDZCEQJOGZ-UHFFFAOYSA-N	394.262	2.391	0	1	GEAF	
Cn1cc(C2=C(c3cnc4ccccn34)C(=O)NC2=O)c2cc3c(cc21)OCO3	96929151	XEBRJGQKFLSEOH-UHFFFAOYSA-N	386.367	2.122	0	1	GEAF	
CN(Cc1cccc(-c2ccc(NC(=O)N3CCOCC3)cc2)c1)C(=O)CN	142756923	HHJFXEMMCPXNNG-UHFFFAOYSA-N	382.464	2.135	0	1	GEAF	
C/C=C1\[C@@H]2C[C@H]3C4=Nc5ccc(OC)cc5[C@]45C[C@@H]([C@H]2[C@@H]5OC(C)=O)N3[C@@H]1O	197883923	DCLQJGLKBIQNJC-HSDCWXCTSA-N	380.444	2.322	0	1	GEAF	
OC1(c2nc3c(I)cnc(Cl)c3[nH]2)CCOCC1	586914230	XTEGYMOTGZLCOM-UHFFFAOYSA-N	379.585	2.214	0	1	GEAF	
COC(=O)c1cc2nc(CCS(=O)(=O)c3ccc4c(c3)CCC4)[nH]c2cn1	586922663	QWKIVDATCAXXDP-UHFFFAOYSA-N	385.445	2.250	0	1	GEAF	
CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3c(O)nc(O)nc3[nH]2)cc1	587040701	RNXISOJLMRDRNJ-LLVKDONJSA-N	387.421	2.051	0	1	GEAF	
COC(=O)[C@H]1C[C@]2(CC(=O)c3cc(C)cc(N)c3O2)CN1C(=O)OC(C)(C)C	587394887	JVTTVXGPXJKEKT-VLIAUNLRSA-N	390.436	2.464	0	1	GEAF	
O=C1NC(=O)C2(CCC3(CC2)Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)N1	587597198	UEUUDXQSCKALCI-TVRCVXMWSA-N	394.383	2.245	0	1	GEAF	
Cc1cccc(NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2C[C@H]3CCCC[C@H]3NC2=O)n1	618015315	JLEGLLXXVUNMMH-VQHPVUNQSA-N	384.480	2.014	0	1	GEAF	
Cc1nc([C@H](CN)NC(=O)c2c[nH]c(-c3ccc(Cl)cc3)n2)sc1CO	1772582530	SEIFQNODSPCYPJ-LBPRGKRZSA-N	391.884	2.417	0	1	GEAF	
COC(=O)c1c2ccoc3c-2c2c1[C@@]1(O)C[C@H]4N(C[C@H](C)C1=O)C[C@H](CC3)[C@@]24C	2356407370	BXJHWSRWRXDUSI-PHWYLAEVSA-N	395.455	2.485	0	1	GEAF	
Cc1cccc(NC(=O)C[C@@H]2[C@H](O)CC[C@H]3[C@]2(C)CC[C@H](O)[C@@]3(C)CO)n1	2356751326	SFFUMXVMFHXQRN-RDYDYKFFSA-N	376.497	2.265	0	1	GEAF	
CCCS(=O)(=O)NC(=O)[C@]1(C)CCCN(C(=O)c2cccc(C)c2C)C1	61905422	AKLAEALBKITQST-LJQANCHMSA-N	380.510	2.402	0	3	GEAF	
C[C@H]1[C@H](C)CCC[C@H]1NC(=O)C1CCN(S(=O)(=O)N2CCCCC2)CC1	251655511	FUGVBRYQGMKFNW-SOLBZPMBSA-N	385.574	2.370	0	3	GEAF	
COc1ccc(/C=c2\s/c(=C\C(=O)c3ccc(C)cc3)[nH]c2=O)c(OC)c1	3642970	IYFCEXUDZMHBDM-DWWRJGILSA-N	381.453	2.254	0	1	GEAF	
COc1c(N2CC[C@](C)(N)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12	27526033	NLWVTAUWGUJTKY-IBGZPJMESA-N	375.400	2.110	0	1	GEAF	
CCC(=O)OCC(COC(=O)CC)Cn1cnc2c(NC)nc(Cl)nc21	27649799	YZOHESTXIWRDRU-UHFFFAOYSA-N	383.836	2.044	0	1	GEAF	
COc1ccc2c(C(=O)N[C@@H](CC(=O)O)C(=O)O)cccc2c1Br	28382124	AFEMNOBCNGDBOB-NSHDSACASA-N	396.193	2.269	0	1	GEAF	
CCC1(O)CCN(c2c(F)cc(N3C[C@H](CNC(C)=O)OC3=O)cc2F)CC1	28708302	PGSNHWZGKZDWJT-AWEZNQCLSA-N	397.422	2.167	0	1	GEAF	
Cc1ccc(-c2nn(Cc3nnc(Nc4ccccc4)s3)c(=O)n2N)cc1	43022751	FYWRZMXNHYUEIP-UHFFFAOYSA-N	379.449	2.377	0	1	GEAF	
CC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](C)[C@@H](CN(C)C(=O)NC(C)C)O2	95660976	WVMKJRWCXHVTMG-SCLBCKFNSA-N	390.484	2.164	0	1	GEAF	
CCNC(=O)Nc1ccc(-c2nc(N3CCCOCC3)c3c(ncn3C)n2)cc1	96283256	OYGGKACTHFOZAZ-UHFFFAOYSA-N	395.467	2.398	0	1	GEAF	
CCNC(=O)Nc1nc2cc(-c3ccc4nnnn4c3)c(=O)n(C(C)C)c2s1	103263636	YXEMZXLVGMJZKR-UHFFFAOYSA-N	398.452	2.285	0	1	GEAF	
O=C(Nc1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1F)[C@@H]1CCCNC1	139593111	HMBKEOFNHNZWDJ-CQSZACIVSA-N	384.455	2.317	0	1	GEAF	
Cn1cc(-c2cc(S(C)(=O)=O)ccc2O[C@H]2CCOC2)c2cc[nH]c2c1=O	146481789	HOIDUDVLUDMEOH-LBPRGKRZSA-N	388.445	2.105	0	1	GEAF	
COC(=O)Cc1cc(OC)n(-c2cc(C(=O)O)ncc2Br)c1OC	587939944	FTFUZRHSTOEPLB-UHFFFAOYSA-N	399.197	2.066	0	1	GEAF	
NC(=O)C1CCN(C(=O)c2ccc3c(-c4nc5ccccc5[nH]4)n[nH]c3c2)CC1	1772619526	QKPRBWWGWUPECQ-UHFFFAOYSA-N	388.431	2.444	0	1	GEAF	
COc1ccc(-n2nnnc2SCC(=O)Nc2cccc(C)n2)cc1OC	932395	YCBCHXUNKPHZPU-UHFFFAOYSA-N	386.437	2.114	0	3	GEAF	
COc1cc(CNC(=S)NCCc2ccc(F)cc2)ccc1OCCN	1548139	NSAIEKZGHYMYFD-UHFFFAOYSA-N	377.485	2.379	0	1	GEAF	
CC1=C[C@H]([C@H]2O[C@@H]3CCCN4[C@H]([C@@H]5C[C@H](C)C(=O)O5)CC[C@H]4[C@H]3[C@@H]2C)OC1=O	29042000	QAAYWVNRGVTWRB-PMVIMNEFSA-N	389.492	2.456	0	1	GEAF	
C[C@@H]1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1c[nH]c2cccnc12	32086540	VBVWWMHZQQUOKJ-CQSZACIVSA-N	376.416	2.119	0	1	GEAF	
Cc1c(Nc2csc3c2C(=O)N[S@](=O)N3)c(=O)n(-c2ccccc2)n1C	72120332	DHYMOIKIORTLAI-AREMUKBSSA-N	389.462	2.024	0	1	GEAF	
CCCNC(=O)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2CC1CCOCC1	95793935	QMUJEDHAYZDYPI-VQTJNVASSA-N	387.524	2.047	0	1	GEAF	
COC(=O)[C@H]1[C@H]2c3ccc(-c4ccccc4)c(=O)n3C[C@@H]([C@@H]1CO)N2CC1CC1	95879261	BVPWCRNVXZHRJW-MJUUVYJYSA-N	394.471	2.062	0	1	GEAF	
C/C=C/c1ccc2n(c1=O)C[C@H]1[C@@H]2N(Cc2ccccc2)[C@@H](C(=O)OC)[C@@H]1CO	100140595	JRLZRAHNQFNINE-IVAVVPHDSA-N	394.471	2.218	0	1	GEAF	
O=C(O)c1c(=O)c2cc(F)c(N3CCOCC3)c3c2n2c(csc12)CO3	102220991	GUQQUTBGXBXEEE-UHFFFAOYSA-N	376.365	2.081	0	1	GEAF	
Cn1c(OC[C@H]2CCCN2c2ccc(F)cc2)nc(-c2ccncn2)cc1=O	146530932	AJWWKHQHTQWXKT-MRXNPFEDSA-N	381.411	2.424	0	1	GEAF	
COc1cnc2c(C(=O)NCC(F)F)cn(Cc3ncnc(OC)c3C)c2c1	169353750	CMIWTYQTYONIPX-UHFFFAOYSA-N	391.378	2.195	0	1	GEAF	
COc1cc([C@@H](C)NC(=O)n2sc3ncccc3c2=O)cc(CO)c1OC	169711323	IKJKHIMWXJUPAW-SNVBAGLBSA-N	389.433	2.286	0	1	GEAF	
Nc1ncc(-c2ccc(-c3cccnc3S(=O)(=O)[C@@H]3CCNC3)cc2F)cn1	224765949	LUWGIRSEDCROGK-CQSZACIVSA-N	399.451	2.063	0	1	GEAF	
CCOC(=O)Cc1ccc2[nH]c(-c3ccc(S(=O)(=O)N(C)C)o3)nc2c1	586930170	AHKYVVAHBKEPGV-UHFFFAOYSA-N	377.422	2.179	0	1	GEAF	
Cc1nn(C)c(C)c1[C@@]1(C(N)=O)N[C@@H](C)Cc2ccc(F)c(Br)c21	587754129	CTGADOIPRPBKAZ-WNWIJWBNSA-N	395.276	2.202	0	1	GEAF	
NS(=O)(=O)c1ccc(-c2nnc(-c3ccc(Br)cn3)o2)cc1	1911584799	QCQVEJYDYYIHLN-UHFFFAOYSA-N	381.211	2.209	0	1	GEAF	
Cc1c(C(=O)C(N)=O)c2c(OCC(=O)O)cccc2n1Cc1ccc(F)cc1	1543780	OPKMRNPUBMWWQI-UHFFFAOYSA-N	384.363	2.269	0	1	GEAF	
CCOc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)NCCO	4039727	RYXTUEFKMSCEBG-FPOVZHCZSA-N	397.475	2.352	0	1	GEAF	
COC(=O)C[C@]12CCCN3CC[C@]4(c5cccc(OC)c5N(C=O)[C@@H]4CC1)[C@H]32	13430668	ZKGZWBWSRSLNGE-HLRQEUIKSA-N	384.476	2.489	0	1	GEAF	biogenic
COC(=O)c1ccc2[nH]c(C(=O)N[C@@H]3Cc4ccccc4N(C)C3=O)cc2c1	13587909	IONIWZRSZHTCFY-QGZVFWFLSA-N	377.400	2.272	0	1	GEAF	
Cn1cnc2c(NCc3cc(Cl)cc(Cl)c3)nc(NCC(N)=O)nc21	13863602	RLLPMOTVKXSLBU-UHFFFAOYSA-N	380.239	2.179	0	1	GEAF	
CC(C)(C)OC(=O)NN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)C2(C)C)C1=O	16040740	CNVZKEHBNVIDCB-OAHLLOKOSA-N	398.463	2.438	0	1	GEAF	biogenic
Nc1nc2nc(SCc3cccc(F)c3F)nc(NC(CO)CO)c2s1	28820724	RUSLPWLSUCXCHB-UHFFFAOYSA-N	399.448	2.004	0	1	GEAF	
COc1cc2cc(OC)c1OCCOCCOc1ccc(cc1)[C@H](O)[C@H]2O	28954111	FKIRDIRTGCLHBL-OALUTQOASA-N	376.405	2.259	0	1	GEAF	
O=C(Cn1cncn1)c1ccc2[nH]c3c4c(c5c(c3c2c1)C(=O)NC5=O)CCC4	82157528	IGOCWSKTDTXNEB-UHFFFAOYSA-N	385.383	2.168	0	1	GEAF	
COc1ccc(S(=O)(=O)Nc2c(O)oc3ccccc3c2=O)cc1OC	103568320	CEKYRVWKHQRQMA-UHFFFAOYSA-N	377.374	2.317	0	1	GEAF	
CCCc1cc(=O)oc2c1c(OCCN1CCOCC1)cc1oc(C(=N)N)cc12	299856873	KMHLPZDVGMOQLS-UHFFFAOYSA-N	399.447	2.487	0	1	GEAF	
N=c1[nH]cnc2c3c(n(-c4ccc(NC(=O)CN5CCCC5)cc4)c12)CCC3	1857585162	MRQWIIXLXUBTGG-UHFFFAOYSA-N	376.464	2.356	0	1	GEAF	
C[C@]1(CO)CN(Cc2ccccc2)C[C@@H]2CN(C(=O)c3ccccc3F)CCN21	2356302860	HAECDLCMLRCQES-AUSIDOKSSA-N	397.494	2.219	0	1	GEAF	
O[C@@H]1[C@H](NC2CCC(F)(F)CC2)[C@H]2CO[C@@H](O2)[C@@H]1n1cnc2ccccc21	2356311621	HJJVBLSFWPPYPX-ZKXLYKBJSA-N	379.407	2.230	0	1	GEAF	
C[C@H](CC(=O)N(C)C1CCCCC1)S(=O)(=O)c1ccc2c(c1)NC(=O)CO2	6930938	IVVQOXCKFQAOJH-CYBMUJFWSA-N	394.493	2.361	0	3	GEAF	
CN(C)CCCN1CC(=O)N2CCc3ccc(Br)cc3[C@H]2CC1=O	199736415	UHFXMXLLUVERNW-MRXNPFEDSA-N	394.313	2.059	0	3	GEAF	
C[C@H]1CCCCN1C(=O)C1CCN(S(=O)(=O)c2cccc3nonc23)CC1	2498461	PETNACZMIWWCGZ-ZDUSSCGKSA-N	392.481	2.025	0	1	GEAF	
CCCCO[C@H]1C[C@H](C(=O)N[C@@H](CO)[C@@H](C)CC)N(C(=O)c2ccco2)C1	4545961	FWAFAYUTYQILIP-LUKYLMHMSA-N	380.485	2.203	0	1	GEAF	
O=c1[nH]c(=O)n(COCCO)c2c1[C@@H](c1ccccc1)Nc1ccccc1S2	13741658	JYKYOVXXJQSUJE-QGZVFWFLSA-N	397.456	2.169	0	1	GEAF	
C[C@]12CC[C@@H]3[C@@H]([C@H](O)C=C4C[C@@H](OS(N)(=O)=O)CC[C@@]43C)[C@@H]1CCC2=O	27631918	MNBRJVRSKWOGDJ-QCPDWKAQSA-N	383.510	2.078	0	1	GEAF	
CCS(=O)(=O)Nc1cc(-n2nc(C)n(C(F)F)c2=O)c(F)cc1Cl	34331735	XXZBAIFXQKSHAK-UHFFFAOYSA-N	384.767	2.292	0	1	GEAF	
COc1cccc(N2c3ccccc3N(CC[C@@H]3CNCCO3)S2(=O)=O)c1	72120308	XPDPSRJQWMZUMS-QGZVFWFLSA-N	389.477	2.277	0	1	GEAF	
O=C(Cn1sc2ccccc2c1=O)NCc1cn(Cc2cccc(F)c2)nn1	73224839	JSZVOYLXDVQTLH-UHFFFAOYSA-N	397.435	2.158	0	1	GEAF	
NC(=O)[C@@H]1CCN(C(=O)c2ccc3c(c2)[C@@](O)(C(F)(F)F)c2ccccc2-3)C1	144756476	JDQOSRZTNBJXFU-CWTRNNRKSA-N	390.361	2.413	0	1	GEAF	
CNc1nc(Nc2ccc(CC(=O)N3CCOCC3)cc2OC)ncc1Cl	147703535	SZVSTQAGNYPRCS-UHFFFAOYSA-N	391.859	2.325	0	1	GEAF	
O=C1[C@@H]2C=C(I)[C@H](C[C@@H]2OCCCCO)[C@]12CCCO2	169370870	ZCCAXLPFLIOJJV-REJLFOLJSA-N	392.233	2.231	0	1	GEAF	
CC1=NC(=O)N[C@H](c2ccc(S(C)(=O)=O)cc2)[C@H]1C(=O)OC1CCCC1	169719468	DAJJZZNDYPYDRI-JKSUJKDBSA-N	378.450	2.417	0	1	GEAF	
CCO[C@]1(OC)C(Br)=C[C@@](O)(CC(=O)O)C=C1Br	238755839	JIPXUBZWICCGQQ-PHIMTYICSA-N	386.036	2.143	0	1	GEAF	
CCOC(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@]12c1c(N)ccc3c1CCN2C3	962952509	HQEVIPSKKJXQTF-QVKFZJNVSA-N	387.480	2.266	0	1	GEAF	
CN1[C@H]2COC[C@H]1CC(NC(=O)c1cn(-c3ccnnc3)c3ccccc13)C2	1772589999	FBRRMRMKZHPYEI-IAGOWNOFSA-N	377.448	2.012	0	1	GEAF	
C[C@@H]1[C@H](c2ccc3c(n2)N(C)S(=O)(=O)N3C[C@@H]2CC2(F)F)[C@H]1C(C)(C)O	1772590172	XKZJGPAQRAEUDQ-QOBDMFJFSA-N	387.452	2.358	0	1	GEAF	
CS(=O)(=O)Nc1ccc([C@@]2(O)CSC(=S)N2Cc2cccnc2)cc1	1857745767	PIUSCNRINLEQBC-INIZCTEOSA-N	395.531	2.132	0	1	GEAF	
CN1C(=O)c2c(O)c(C(=O)NCc3ccc(F)cc3)nn2C[C@@H]1c1ccccc1	29129168	GDHCPGZNOLGIOD-MRXNPFEDSA-N	394.406	2.485	0	1	GEAF	
C[C@H](CC(=O)O)N1Cc2ccc(NC(=O)c3ccc4c(c3)CNCC4)cc2C1=O	72105258	UWKPPOAXIFLKJM-CYBMUJFWSA-N	393.443	2.404	0	1	GEAF	
CC(C)c1ccc([S@@]2=NS(=O)(=O)c3cc(S(N)(=O)=O)ccc32)cc1	73389668	QOGSHIYDRIMKFH-JOCHJYFZSA-N	384.504	2.380	0	1	GEAF	
CCCNC(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2CC2CCCCC2)O1	95886484	LQDIADHJFKFRSI-WTGUMLROSA-N	382.545	2.092	0	1	GEAF	
COc1cc(C)cc(OC)c1OC(=O)[C@@H](CCS(C)(=O)=O)N1C=CCCC1	100013087	QUFAWPLCTTWGHW-OAHLLOKOSA-N	397.493	2.330	0	1	GEAF	
Cc1ccc(-c2cnc3[nH]ccc3n2)c(N[C@H]2CCCN(S(C)(=O)=O)C2)n1	168603239	UXPYEJLTPMRCCL-ZDUSSCGKSA-N	386.481	2.164	0	1	GEAF	
COc1ccc(C(=O)Nc2ccc(F)c([C@@]3(C)N=C(N)OC[C@@H]3F)c2)nc1	169702949	VVMUTCSDIWXUCG-MAUKXSAKSA-N	376.363	2.380	0	1	GEAF	
O=C(O)CNCCNCc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1	587228433	CNNXUFJGKIFTON-UHFFFAOYSA-N	395.179	2.108	0	1	GEAF	
CCOC(=O)Nc1ccc(C(=O)NCc2nc3ccc(C(=N)N)cc3[nH]2)cc1	587228482	MXSFFZRJLHFUPJ-UHFFFAOYSA-N	380.408	2.345	0	1	GEAF	
CN(C)/C=C1/C[C@@H](NC(=O)OC(C)(C)C)Cc2cc3c(O)nc(O)nc3nc21	587553055	FIOBQYZUWCQOIT-MMRAYRKESA-N	387.440	2.178	0	1	GEAF	
OC[C@H]1[C@H](Cc2ccnc(-c3ccccc3)n2)[C@@H](NCC2CCOCC2)C[C@H]1O	2356388318	ZZUUBSQRRVNHPW-MYGLTJDJSA-N	397.519	2.060	0	1	GEAF	
OCC(=CCc1cc2c(cc1O)OC[C@H]1c3cc4c(cc3O[C@H]21)OCO4)CO	2356760627	ACXGNNSXQDOXDD-YCRPNKLZSA-N	384.384	2.184	0	1	GEAF	
COc1cc(C(=O)C(=O)N2CCN(c3ccccc3)CC2)cc(OC)c1OC	95567489	XQLNOLLAIJZGQF-UHFFFAOYSA-N	384.432	2.244	0	3	GEAF	
Nc1nc(Cl)c(N)c(NC[C@@]2(CO)CC[C@@H](OCc3ccccc3)C2)n1	1645763	XOWUNSSKRQVANA-FZKQIMNGSA-N	377.876	2.454	0	1	GEAF	
O=C(NC1CCCCCC1)[C@H]1[C@@H]2C(=O)N(Cc3cccnc3)C[C@]23C=C[C@H]1O3	13131493	UOCISZFZWYHAPM-JPAWQOSXSA-N	381.476	2.203	0	1	GEAF	
CN1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn([C@@H]4C[C@@H]4F)c3c2F)CC1	27088799	CRRCJBNQFFUWNT-WCQYABFASA-N	381.354	2.013	0	1	GEAF	
CCNc1nc(N2CCN(c3ncccn3)CC2)nc2cc(OC)c(OC)cc12	82131300	QBHISUBJCVORBN-UHFFFAOYSA-N	395.467	2.195	0	1	GEAF	
CC1=NN(c2nc3sc(C(N)=O)c(C)c3c(=O)n2Cc2ccccc2)C(=O)C1	84669919	PDUMDTYTJSINLG-UHFFFAOYSA-N	395.444	2.026	0	1	GEAF	
CN1C(=O)N(c2cn(C)cn2)C[C@H]1C(=O)NCc1ccc(Cl)cc1Cl	95566097	BYJCRSBLSIRRCD-ZDUSSCGKSA-N	382.251	2.284	0	1	GEAF	
O=C1N=C2SC([N+](=O)[O-])=CN2C2=NC(=S)N[C@@H](c3ccc(Cl)cc3)[C@@H]12	95584543	ZLUPYWJLHQGGOL-ZJUUUORDSA-N	393.837	2.305	0	1	GEAF	
COc1ccc([C@H]2C3=C(O)CCCC3=Nc3c2c(=O)n(C)c(=O)n3C)cc1OC	104025360	LEPBJKFNLGCEBI-INIZCTEOSA-N	397.431	2.315	0	1	GEAF	
Cc1nc([C@@H]2CCOC2)c2c(N3CCc4cnn(CC(C)C)c4C3)ncnn12	169711798	MYKDJNAZONAFPX-MRXNPFEDSA-N	381.484	2.352	0	1	GEAF	
N=c1[nH]c2nc(-c3cc(S(=O)(=O)N4CCC4)ccc3Cl)nc-2c(Cl)[nH]1	586956194	YZVUFRQONFJUGL-UHFFFAOYSA-N	399.263	2.085	0	1	GEAF	
CCOC(=O)[C@@H]1CNCC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1	587593997	JUSAZOUPCCOXIF-AVBTWRTFSA-N	383.400	2.265	0	1	GEAF	
CCCCCc1[nH]c2ccc(S(C)(=O)=O)cc2c1C(=O)N[C@H]1CCOC1=O	587650583	OCMSZXNJXVPFQK-INIZCTEOSA-N	392.477	2.349	0	1	GEAF	
C[C@@H]1C[C@@H]2OC(=O)[C@@H]3CCC[C@]([C@@H]4C(=O)O[C@H](c5ccoc5)[C@@H]4O)(O1)[C@]23C	2356573508	PSFXEAJPVCTVJM-QKSODGQMSA-N	376.405	2.134	0	1	GEAF	
Cc1nn(C)cc1CN(C)C(=O)[C@H]1CCC(=O)N(CCc2cccc(F)c2)C1	12030634	NBSJVVZZAUSXPE-KRWDZBQOSA-N	386.471	2.307	0	3	GEAF	
CC(=O)Nc1ccc(S(=O)(=O)N[C@H](CC(=O)NC2CCCC2)C(C)C)cc1	2500203	TXIGDTDDGLBULH-GOSISDBHSA-N	395.525	2.397	0	1	GEAF	
COC(=O)[C@H](NC(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1)C(C)C	14584011	PUSHWZUNZAQTHW-LXGCGDOSSA-N	381.476	2.351	0	1	GEAF	biogenic
C[C@@H]1CC(=O)c2c(N3CCN4CCC3CC4)c(F)cc3c(=O)c(C(=O)O)cn1c23	27710276	POUVEMXWCWRCIO-LLVKDONJSA-N	399.422	2.271	0	1	GEAF	
Nc1ncnc2c1ncn2CCOC[P@@]1(=O)OCC[C@H](c2ccoc2)O1	28974834	RSGKJEUTMCZUGN-MZHQLVBMSA-N	379.313	2.347	0	1	GEAF	
CCOC(=O)c1cccc(NC(=O)Nc2ccc(OS(N)(=O)=O)cc2)c1	84653848	KYIJUMMMSFZPPN-UHFFFAOYSA-N	379.394	2.090	0	1	GEAF	
c1cc2nonc2cc1CCN1CCN(CCc2ccc3nonc3c2)CC1	95558774	UGWBPNQVJFUIPJ-UHFFFAOYSA-N	378.436	2.162	0	1	GEAF	
CC[C@]1(C)NC(=O)c2cc(S(=O)(=O)NCc3ccccc3)ccc2NC1=O	96269450	QQMKUNLVYFAXPW-IBGZPJMESA-N	387.461	2.016	0	1	GEAF	
CCCCNC(=S)N1CCN(c2c(C)c3c(O)cc(O)cc3oc2=O)CC1	96914058	GPVWPCKCZDCQGR-UHFFFAOYSA-N	391.493	2.309	0	1	GEAF	
COC(=O)c1ccc2nc(SC)c(S(=O)(=O)c3ccccc3)c(=N)n2c1	103270610	NFPYIOCQSPXFEB-UHFFFAOYSA-N	389.458	2.155	0	1	GEAF	
CCN1C(NCCCCO)=N[C@H](CCc2ccccc2)[C@H](C(=O)OC)[C@@H]1C	169354921	ZWJWBCMKHNNTFV-QXAKKESOSA-N	375.513	2.219	0	1	GEAF	
CN1CCN(c2cnc(-c3c[nH]c4ccc(-c5nnc(N)s5)cc34)cn2)CC1	204768472	QDWLLJBVOXFDPM-UHFFFAOYSA-N	392.492	2.477	0	1	GEAF	
CNS(=O)(=O)c1ccc(CCc2nc3cnc(C(F)(F)F)[nH]c-3n2)cc1	586946102	GTPOTUVMAGJQGA-UHFFFAOYSA-N	385.371	2.017	0	1	GEAF	
NC(=O)c1ccc2nc([C@@H](CC(=O)O)NC(=O)OCc3ccccc3)[nH]c2c1	587203004	MIZASLFWNKIMFH-OAHLLOKOSA-N	382.376	2.104	0	1	GEAF	
COc1cc2c3c(c1)O[C@H]([C@H]1CN(C(=O)OC(C)(C)C)CCO1)[C@@H](C2)C3=O	587437830	LOICRCNEGXTLPS-JOQOYGCGSA-N	375.421	2.447	0	1	GEAF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(NCC(=O)O)nc2)N1	587757479	VBPMMSJKENGRBH-ANRSDYALSA-N	395.232	2.498	0	1	GEAF	
COC(=O)[C@H]1Cc2ccc(OC)cc2[C@]12N[C@H](C(=O)O)Cc1cc(F)ccc12	962892640	GLWWSXOGPSUBNE-LQWHRVPQSA-N	385.391	2.022	0	1	GEAF	
Cn1nc(C(=O)N2CCC(F)(F)C2)c2ccc(N=c3[nH][nH]c4cccnc34)cc21	1857768170	GTHQUTAXFCXYOG-UHFFFAOYSA-N	397.389	2.491	0	1	GEAF	
COc1ccc([C@H](O)[C@@H]2CO[C@@H](c3ccc(OC)c(O)c3)[C@H]2CO)cc1O	2356555282	PGWSIRRJBWWKAV-ILWKUFEGSA-N	376.405	2.145	0	1	GEAF	
COc1cc(O)c2c(c1Cl)C=CC[C@H](O)[C@H](O)[C@@H](O)C=CC[C@H](C)OC2=O	2356713163	ASZQCWYVQBKBBJ-CNNMYCQVSA-N	398.839	2.045	0	1	GEAF	
COc1ccccc1[C@@H]1CN2C(=O)CNC(=O)[C@@]2(C)c2[nH]c3ccccc3c21	2161441	RUNLNMGYYJHIRU-OYHNWAKOSA-N	375.428	2.496	0	1	GEAF	biogenic
CC(C)(CO)CNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2[nH]c1=O	95593396	WALXSGFVDFDFRD-UHFFFAOYSA-N	399.422	2.107	0	1	GEAF	
O=C(Nc1ccccc1F)N[C@@H]1CC[C@@H](CC(=O)N2CCCCC2)O[C@@H]1CO	95675435	QWOFJLPZBFRYTI-BMGDILEWSA-N	393.459	2.258	0	1	GEAF	
CCCN1[C@@H]2c3cccc(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)N[C@H](C)c1ccccc1	95793998	YIELOQINJAINDP-ICAIUHKLSA-N	395.503	2.099	0	1	GEAF	
O=C(C1CCC1)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2C(=O)NC1CCCC1	95794671	VCRQDCSREUOWOO-UXHICEINSA-N	397.519	2.480	0	1	GEAF	
OC[C@@H]1C[C@@H](Oc2cccc3ccc(-c4nnc5ccccn45)nc23)CCN1	117669158	XXSRLUNTWYTWGT-HOTGVXAUSA-N	375.432	2.436	0	1	GEAF	
CCOC(=O)[C@@H]1C(=O)C[C@@](C)(O)[C@@H](C(=O)OCC)[C@@H]1c1ccc(OCC)cc1	169298787	SYMQGPSLVUNGPV-NEYJZJCJSA-N	392.448	2.251	0	1	GEAF	
COc1ccc([C@@H]2C3=C(COC3=O)N(CCO)c3cc4c(cc32)OCCO4)cc1	199665078	DGUWDLOCKSGHDI-FQEVSTJZSA-N	395.411	2.222	0	1	GEAF	
C[C@]1(c2ccccc2)CC(=O)N(CC(=O)N2CCN(C3CCCCC3)CC2)C1=O	473087554	KPYOPKXRKNUTJK-HSZRJFAPSA-N	397.519	2.180	0	1	GEAF	
CC1=C(c2ccc3[nH]c(-c4ccc(NS(C)(=O)=O)cc4)nc3c2)NNC(=O)C1	586950530	IQBKJINMGJSDFI-UHFFFAOYSA-N	397.460	2.357	0	1	GEAF	
O=C(N[C@@H](Cc1nc2cccc(C(=O)O)c2[nH]1)C(=O)O)OCc1ccccc1	587203701	RRJUPMBNSNMDAA-AWEZNQCLSA-N	383.360	2.183	0	1	GEAF	
CNC(=O)C[C@H]1CCc2cc(F)ccc2N1C(=O)c1ccc2c(c1)NC(=O)CO2	1857618008	HHAHWQRMWXEINT-OAHLLOKOSA-N	397.406	2.254	0	1	GEAF	
CNC(=N)NC[C@]1(C)[C@H]2CC3=C(C(=O)O)[C@@H](O)C[C@]31[C@@H](C)CC21CCCC1	2356370774	SWKFANOTEGEVNM-QUKFZTRMSA-N	375.513	2.489	0	1	GEAF	
CC=CCC(=O)O[C@H](c1cc2ccc(=O)oc2cc1OC)[C@@H](O)C(C)(C)O	2356649305	ISUIJLNCTODZEL-RTBURBONSA-N	376.405	2.484	0	1	GEAF	
O=C1c2cccn2[C@@]2(CC(O)=NC2=O)C(=O)N1Cc1ccc(Cl)cc1F	606115	JJLINLUGPWVOFB-QGZVFWFLSA-N	375.743	2.045	0	1	GEAF	
Nc1nc(Cl)c(N)c(NC[C@@]2(CO)CC[C@H](OCc3ccccc3)C2)n1	1645762	XOWUNSSKRQVANA-SCLBCKFNSA-N	377.876	2.454	0	1	GEAF	
O=C1Nc2ccc(Cl)cc2C(c2ccccc2Cl)=N[C@H]1OC[C@H](O)CO	2002540	RUZTZHORWNXEDM-ZMZPIMSZSA-N	395.242	2.479	0	1	GEAF	
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1CC(=O)O	13802618	QCIVCYVDUSZRHX-PXNSSMCTSA-N	382.460	2.307	0	1	GEAF	
Nc1ncnc2c1ncn2[C@H]1C=C[C@H](CO[P@](=O)(O)Oc2ccccc2)O1	26659428	NJHIDMZOPYPVEJ-CHWSQXEVSA-N	389.308	2.058	0	1	GEAF	
COC(=O)CN1CC[C@@H](n2cc(-c3cccc(OC)c3)c3c(N)ncnc32)C1	27981485	IUHCHNLQYCBXNR-CQSZACIVSA-N	381.436	2.109	0	1	GEAF	
COc1ccc(CNCCCN(C)c2nc(-n3ccnc3)ns2)cc1OC	38279502	MUGNXLVOYHPYEX-UHFFFAOYSA-N	388.497	2.357	0	1	GEAF	
C[C@@H]1O[C@@H](Oc2cc3c4c(c2O)C(C)(C)CC[C@@H]4CCC3)[C@@H](O)[C@H](O)[C@@H]1O	64549577	JCKARYUPZKFSGR-YHTHWJNQSA-N	378.465	2.090	0	1	GEAF	
O=C(Cc1ccccc1)O[C@H]1CCCC[C@H]1n1cc(CN2CCOCC2)nn1	82152647	WEIHQDAGPYFALW-UXHICEINSA-N	384.480	2.380	0	1	GEAF	
CC(=O)N1CCN(C(=O)C[S@@](=O)C2c3ccccc3-c3ccccc32)CC1	84757565	NSGTXPDWQWRIGW-MHZLTWQESA-N	382.485	2.196	0	1	GEAF	
O=C1N[C@H](C(=O)O)Cc2ccc(nc2)OC/C=C/COc2ccc(Cl)c1c2	103260915	FWOZSFGPVXYBNW-PYKQWIPUSA-N	388.807	2.488	0	1	GEAF	
C[C@H]1CCC/C=C\[C@@H]2C[C@H](OC(=O)CCC(=O)O)C[C@H]2[C@H](O)/C=C/C(=O)O1	169345512	IXNGCUAZCXPKBG-DPPUGGRWSA-N	380.437	2.378	0	1	GEAF	
COc1ccc([C@H]2C3=C(COC3=O)N(CCO)c3cc4c(cc32)OCCO4)cc1	199665060	DGUWDLOCKSGHDI-HXUWFJFHSA-N	395.411	2.222	0	1	GEAF	
O=C(NCc1ccc(F)cc1)[C@H]1[C@@H]2C(=O)N(Cc3ccccc3)C[C@@]23C=C[C@H]1O3	227269594	JHYKCQQQKZVQMB-URFJDIBFSA-N	392.430	2.424	0	1	GEAF	
C/C=C1/CN2CC[C@]34c5cc(OC)ccc5N5C(=O)[C@@H](OC)OC[C@@H]([C@H]53)[C@H]1C[C@H]24	238741215	NBQDHEDMCIJPPC-APPNPRPRSA-N	396.487	2.321	0	1	GEAF	
CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3cnc(C(=O)OC)cc3[nH]2)cc1	586938005	IGWIZTFWSVDBFI-LLVKDONJSA-N	388.449	2.488	0	1	GEAF	
CC1=C2C(=NC(=O)[C@@H](NC(=O)c3cccc(C)c3)[C@@H]2c2ccc(F)cc2)NN1	1857598983	VAAHZCZCFDLQGJ-MSOLQXFVSA-N	378.407	2.337	0	1	GEAF	
Cc1ccc(CN2[C@H](C(=O)NC3CCCC3)CSCCS2(=O)=O)cc1	96020328	MOVFTLJYNPQIPO-KRWDZBQOSA-N	382.551	2.301	0	3	GEAF	
N[C@@H](CC(=O)N1CCNC[C@H]1Cc1ccccc1)Cc1cc(F)c(F)cc1F	28372278	QIQKWBMHNYJKBE-IAGOWNOFSA-N	391.437	2.407	0	1	GEAF	
CCCN1CC2(CCN(C[C@@H](O)COc3ccccc3OC)CC2)OC1=O	28761421	RXCXNWQOVSPFHZ-MRXNPFEDSA-N	378.469	2.132	0	1	GEAF	
C[C@H](NC(=O)c1csc(-c2ccc(Cl)cc2)n1)C(=O)N1CCCNCC1	82083306	OWRJHRCXYWTBII-LBPRGKRZSA-N	392.912	2.404	0	1	GEAF	
CCCNC(=O)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(-c3ccccc3)cc1)[C@@H]2CO	95661957	ASDHYRJAHRQYIC-RZUBCFFCSA-N	393.487	2.444	0	1	GEAF	
COc1cccc(CN2CCC(N3Cc4cccc(C(N)=O)c4C3=O)CC2)c1	117352285	HOUBLQHUJDBMLG-UHFFFAOYSA-N	379.460	2.415	0	1	GEAF	
Nc1ncnc2c1ncn2C[C@@H](O)COc1ccc(C(=O)c2ccccc2)cc1	169318246	XPVSQKQBVOIBFX-MRXNPFEDSA-N	389.415	2.079	0	1	GEAF	
C[C@@H]1CC[C@@]2(O)[C@@]13CC(=O)[C@@]1(C)[C@@]2(C)CO[C@]1(OC(=O)c1ccccc1)[C@@H]3O	169371252	BRRTVYWNYBLCAX-GTNDMQMLSA-N	386.444	2.077	0	1	GEAF	
COc1cccc([C@H]2C3=C(COC3=O)N(CCO)c3cc4c(cc32)OCCO4)c1	198347794	LFLKZTIFAOFDNF-HXUWFJFHSA-N	395.411	2.222	0	1	GEAF	
O=c1cc(-c2ccnc(NC3CCOCC3)n2)ccn1[C@H](CO)c1ccccc1	223540409	JSEIFJGDPNHSLS-HXUWFJFHSA-N	392.459	2.478	0	1	GEAF	
Cn1cc(C(=O)NC(=S)Nc2ccc(I)cc2)cn1	473093138	SVGJSHRGBYDWMQ-UHFFFAOYSA-N	386.218	2.152	0	1	GEAF	
CCCCOc1cc2nc(CNCCNCC(=O)O)[nH]c2cc1Br	587229149	QBGBYOAWVJACSS-UHFFFAOYSA-N	399.289	2.268	0	1	GEAF	
COCCOc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccccc3)nc(CO)c12	1772649393	NYAGMSRXGANXAI-GFCCVEGCSA-N	385.424	2.358	0	1	GEAF	
Cn1c(=O)oc2cc(CC(=O)N=c3ccn(Cc4ccc(F)c(F)c4)[nH]3)ccc21	1857766876	IIXYZDSTCZPGGD-UHFFFAOYSA-N	398.369	2.258	0	1	GEAF	
COC(=O)C1(C(=O)OC)CCCCN(S(=O)(=O)c2ccc(C)cc2)CCC1	95568464	SOIXRIXRMZXROI-UHFFFAOYSA-N	397.493	2.282	0	3	GEAF	
CN1CCN(C2=Nc3ccccc3Oc3ccc(OS(C)(=O)=O)cc32)CC1	13798272	LUZGPEPGAGXEQF-UHFFFAOYSA-N	387.461	2.456	0	1	GEAF	
CCc1cc(C(C)=O)c(O)cc1OCc1cccc(C(=O)NCCC(=O)O)n1	29237877	YGALQYCPWNNWDX-UHFFFAOYSA-N	386.404	2.336	0	1	GEAF	
CN(C)C(=O)[C@H](CN1CCC2(CC1)OCCc1ccsc12)Cn1cccn1	84672543	JEMCPFWOAWEARU-QGZVFWFLSA-N	388.537	2.213	0	1	GEAF	
Cc1cnc(NN(C)C)nc1-c1c[nH]c(C(=O)N[C@H](CO)c2ccccc2)c1	87612990	CHANKAGDNLSYSJ-QGZVFWFLSA-N	380.452	2.132	0	1	GEAF	
CO[C@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2CCc3ncccc3C2)C1	95598266	IDPCGLQTORUCBB-GHJIKITLSA-N	399.535	2.309	0	1	GEAF	
CNC[C@H]1Oc2ncc(-c3ccc(OC)cc3)cc2C(=O)N([C@H](C)CO)C[C@@H]1C	95732415	KUOLKNDJLDMVPT-BXTJHSDWSA-N	399.491	2.197	0	1	GEAF	
O=S(=O)(N[C@@H]1CCCN(Cc2ccc(OCCO)cc2)C1)c1ccccc1	95784680	JQKFQBSSWLRCJL-GOSISDBHSA-N	390.505	2.001	0	1	GEAF	
O=C(C1CC2(CCN(C3CCOCC3)CC2)C1)N1CCN(C2CCC2)CC1	103243031	CRWYIZWOHXWIGZ-UHFFFAOYSA-N	375.557	2.354	0	1	GEAF	
O=C1N[C@H](C(=O)O)Cc2cn(cn2)CC/C=C/COc2ccc(Cl)c1c2	103260963	GXWGJFIDBBUABQ-VQRJYJFOSA-N	375.812	2.301	0	1	GEAF	
CCCCO[C@@H]1C[C@H](C(=O)N[C@H]2CCCC[C@H]2O)N(C(=O)c2ccco2)C1	299882958	QPCJRTYAFRCPPY-YYIAUSFCSA-N	378.469	2.099	0	1	GEAF	
CC[C@H]1OCCC[C@H]1c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1	586912255	NJUAPZSNBSWSMD-RHSMWYFYSA-N	379.482	2.256	0	1	GEAF	
CCCc1c(O)ccc2c1O[C@@](CN1CCOCC1)(c1cnn(C)c1)CC2=O	587475320	MDWZYXOZIQAFNH-NRFANRHFSA-N	385.464	2.271	0	1	GEAF	
C[C@H](c1nc(O)c2cnn(C3CCOCC3)c2n1)N1CC(Oc2ccccn2)C1	1772636663	QIWSSYIYFBGWDU-CYBMUJFWSA-N	396.451	2.103	0	1	GEAF	
O=C(NCc1ncccc1F)c1cnn(CCNCc2nc3ccccc3[nH]2)c1	1857558869	VOXGJQUFKHXLIS-UHFFFAOYSA-N	393.426	2.013	0	1	GEAF	
COc1ccc(-c2ccc(OCC(=O)NCCCN3CCN(C)CC3)cc2)cc1	1857765363	VUUAQQRMLQXWNQ-UHFFFAOYSA-N	397.519	2.495	0	1	GEAF	
COc1ccc2nc3n(c2c1)[C@H](CNS(=O)(=O)c1ccc(F)cc1)COC3	2356300808	YCPXVLAQMMEDML-CYBMUJFWSA-N	391.424	2.234	0	1	GEAF	
COCC(=O)N[C@@H]1[C@H](c2cccs2)N(C(=O)c2ccccc2)CC[C@@]1(C)O	2356317918	ANMPKRCINWTSOT-NLWGTHIKSA-N	388.489	2.218	0	1	GEAF	
COc1ccc(S(=O)(=O)NC[C@@H]2COCc3nc4ccc(C)cc4n32)cc1	2356743467	FFWILRZSHWYFFL-CQSZACIVSA-N	387.461	2.403	0	1	GEAF	
C1=CC(c2noc([C@@H]3CCCN3Cc3cccnc3)n2)=CN[C]1N1CCOCC1	2356809495	ORQQGWQLUUTXHJ-SFHVURJKSA-N	393.471	2.124	0	1	GEAF	
CON(C)C(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)OC(C)(C)C	61948200	RUVVTHNKQXXQOM-ZDUSSCGKSA-N	387.477	2.253	0	3	GEAF	
CCOC(=O)C1=CN(Cc2ccco2)S(=O)(=O)N(C)[C@H]1c1ccccc1	263591584	LVCBENRBQIOPAO-KRWDZBQOSA-N	376.434	2.460	0	3	GEAF	
CSCC(=O)N[C@H]1CCN2C(=O)c3cc(-c4ccco4)ccc3NC(=O)[C@@H]2C1	3840444	VCPJSLFVFWWPDW-BBRMVZONSA-N	399.472	2.351	0	1	GEAF	biogenic
N=C(N)c1ccc([C@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3[C@@H]3CCCN32)cc1	58543530	QKVYJJDWLBNNSF-NMLBUPMWSA-N	388.471	2.291	0	1	GEAF	
Cn1ncc2cc(Nc3ncnn4ccc(CN5CCC(N)CC5)c34)ccc21	66259306	KVCFBSPPQNDXTQ-UHFFFAOYSA-N	376.468	2.283	0	1	GEAF	
CO[C@H]1CC[C@H](N2CC(=O)Nc3ncc(-c4ccc(C(C)(C)O)nc4)nc32)CC1	113219973	ZGLONRFJOSBXER-GASCZTMLSA-N	397.479	2.482	0	1	GEAF	
O=C(CNC(=O)c1ccc(N2CCOCC2)cc1)N[C@@H]1CCCc2ccccc21	148557671	RVEYOVHMKNNIPI-OAQYLSRUSA-N	393.487	2.447	0	1	GEAF	
C[C@@H]1N[C@@H](c2ccccn2)NC(=O)[C@H]1CC(=O)NCC1(c2ccccc2)CC1	208985857	UZXWMJJBUIDSNU-RIFZZMRRSA-N	378.476	2.042	0	1	GEAF	
COC(=O)c1cc(Cl)c2nc(-c3ccc(CS(N)(=O)=O)cc3)[nH]c2c1	586930926	VWYKOGSWUCCUIQ-UHFFFAOYSA-N	379.825	2.458	0	1	GEAF	
COC(=O)c1ccc2nc(CNS(=O)(=O)/C=C\c3ccc(C)cc3)[nH]c2n1	586940559	AHOZJJXAZPKROY-KTKRTIGZSA-N	386.433	2.143	0	1	GEAF	
CCCS(=O)(=O)N1CCC(c2nc3cc4c(cc3[nH]2)NC(=O)CC4)CC1	586955579	RNAGHGYUYWSIHY-UHFFFAOYSA-N	376.482	2.367	0	1	GEAF	
O=C(CCN1C(=O)c2ccccc2S1(=O)=O)Nc1ccc(O)c2ncccc12	1857562923	DDMLDBPWJGUJHJ-UHFFFAOYSA-N	397.412	2.114	0	1	GEAF	
COc1cccc(C(=O)Cn2c(=O)n(C[C@@H]3CCCO3)c(=O)c3ccccc32)c1	4110861	DCTWBXJIARAHSG-KRWDZBQOSA-N	394.427	2.234	0	3	GEAF	
CC(=O)C[C@@H]1CCC(=O)CCC(=O)O[C@H](CC(C)=O)CCC(=O)CCC(=O)O1	5159734	BANPLRUNKASJCB-ROUUACIJSA-N	396.436	2.041	0	1	GEAF	
COc1ccccc1-c1ccc(C[C@H](NC(=O)[C@H]2CSCN2)C(=O)O)cc1	13436437	CYOGWAISTADLSV-DLBZAZTESA-N	386.473	2.137	0	1	GEAF	
CC(C)C[C@H](CNCC(=O)O)NC[C@@H]1CCCN1C(=O)OCc1ccccc1	28013888	BVSYNVGKXCETMK-MOPGFXCFSA-N	391.512	2.466	0	1	GEAF	
CCOC(=O)[C@H](NC(=O)/C=C/c1ccccc1)NC(=S)Nc1ccccn1	28340594	AXUDTKPOEANALF-FMQWLBJXSA-N	384.461	2.087	0	1	GEAF	
CCCCNC(=O)c1cnc(N2CCN(C(C)=O)CC2)nc1-c1ccc(F)cc1	82214894	YGMJDJULSWOGNO-UHFFFAOYSA-N	399.470	2.481	0	1	GEAF	
COCCNC(=O)[C@H]1C[C@H]2Cn3c(nc4cc(Cl)c(Cl)cc43)[C@@H]2N1C	95544120	JYYMTFLJOYYNFB-TZTCFGBESA-N	383.279	2.481	0	1	GEAF	
O=C(C1CCC1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4cccnc4)cc3)[C@H]2C1	95797320	QVDWJLNEJREBMG-SJBKTWHCSA-N	391.471	2.046	0	1	GEAF	
N[C@H](CCC(=O)n1c(-c2cc(F)ccc2F)nc2ccccc2c1=O)C(=O)O	103194738	RFMPQLKANHXCIB-CQSZACIVSA-N	387.342	2.174	0	1	GEAF	
C/C=C1\CN(C)CC[C@]23C(=O)C[C@@H]1[C@H]1CO[C@H](OC)C(=O)N(c4ccccc42)[C@@H]13	103289264	MHRUSPYZNNVVHC-OUVZHCRSSA-N	396.487	2.129	0	1	GEAF	
O=c1[nH]c(Cc2ccccc2-c2cc[nH]n2)nc2c1cnn2C1CCOCC1	169699880	UGWMRXKNWFEGHQ-UHFFFAOYSA-N	376.420	2.452	0	1	GEAF	
COc1ccc(S(=O)(=O)N(Cc2cccnc2)[C@H](CCF)C(=O)O)cc1	204783348	ZZNYWQSQHHAWBQ-MRXNPFEDSA-N	382.413	2.094	0	1	GEAF	
COc1ccc(OCCN2CCN(C(=O)c3cc4cnccc4[nH]3)CC2)cc1	205941948	XVJBBDPXCJMUFL-UHFFFAOYSA-N	380.448	2.408	0	1	GEAF	
NC(=O)c1nnc(N[C@@H]2CCCC[C@@H]2N)nc1Nc1cc(F)cc2cc[nH]c12	205944091	USHSJTSJVGFQSW-NWDGAFQWSA-N	384.419	2.016	0	1	GEAF	
CC(C)CNC(=O)[C@H]1CCS(=O)(=O)[C@H]2CN(Cc3cccc(Cl)c3)C[C@@H]12	299843221	ONQQSPVXRQZFPS-BZSNNMDCSA-N	398.956	2.347	0	1	GEAF	
COc1ccc([C@]2(CS(C)(=O)=O)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1	587449515	PAPADGCERCEUMH-UZLBHIALSA-N	388.441	2.391	0	1	GEAF	
O=C(O)Cc1cc(O)n(-c2cc(Br)cnc2Br)c1O	587939190	CLRYGZXRRUKLPA-UHFFFAOYSA-N	392.003	2.436	0	1	GEAF	
CC(=O)OC[C@@]1(c2ccc(Cl)cn2)N[C@H](C(=O)O)Cc2cc(C)c(O)cc21	963525368	MCHJWLDEUQTEKW-HNAYVOBHSA-N	390.823	2.155	0	1	GEAF	
O=C(Cc1ccc(Cl)c(Cl)c1)N1CCO[C@@H]2CNC[C@@H](N3CCCC3)[C@@H]21	1857755664	JMSHYBARLFGBPR-LMMKCTJWSA-N	398.334	2.200	0	1	GEAF	
CC[C@@H]1C2=C3[C@@H]4[C@H](OC(=O)[C@H](C)[C@@H]4[C@@H]1O)[C@H]([C@@H]1C[C@H](C)C(=O)O1)N3CCCC2	2356362916	IMBLSLXWSTZJFX-PXGLRJJOSA-N	389.492	2.255	0	1	GEAF	
COc1ccc([C@H](O)[C@@H](CO)Oc2ccc(C=CCO)cc2OC)cc1OC	2356639138	GAYRERFQJBZHBH-RTWAWAEBSA-N	390.432	2.191	0	1	GEAF	
COc1cccc(N2CCN(C[C@@H]3CN=C4c5ccccc5NC(=O)N43)CC2)c1	13832335	UAGNYVZZZZFXBQ-KRWDZBQOSA-N	391.475	2.494	0	1	GEAF	
CCCCCC[C@H](O)CCCCCC/C=C/C[C@@H](O)[C@H](O)C(N)(CO)CO	27518253	ZPWAKEGUGTYZJD-SAMBFPPGSA-N	389.577	2.009	0	1	GEAF	
CSc1c(F)c(N2CC[C@H](N)C2)cc2c1c(=O)c(C(=O)O)cn2C1CC1	27526636	MBHVXNBTFPKQRO-VIFPVBQESA-N	377.441	2.433	0	1	GEAF	
CC[C@@H]1Cn2c(c(NCc3ccsc3)c(=O)n(Cc3ccncc3)c2=O)N1	82207497	ZEKLGCZSWISCQE-OAHLLOKOSA-N	383.477	2.331	0	1	GEAF	
O=C1O[C@H](CO)[C@H](Cc2ccc3c(c2)OCO3)[C@H]1Cc1ccc2c(c1)OCO2	238744733	ORMBJJWNRAOORJ-STXHMFSFSA-N	384.384	2.079	0	1	GEAF	
COc1ccc(S(=O)(=O)N[C@H](c2nc3ccc(C)cc3[nH]2)[C@H](C)O)cc1	586937255	SDFYNEHZDJRXMX-SJCJKPOMSA-N	375.450	2.280	0	1	GEAF	
COc1cc2nc(CCNS(=O)(=O)c3ccc(Cl)nc3)[nH]c2cc1OC	586942438	LIVTUSPNLOJEMH-UHFFFAOYSA-N	396.856	2.150	0	1	GEAF	
CC[C@]1(C)CC(=O)N(CC(=O)N2CCN(c3ccc(Cl)cc3)CC2)C1=O	653728669	HROLPHAUJSPMQU-LJQANCHMSA-N	377.872	2.164	0	1	GEAF	
CC[C@@]1(C)CC(=O)N(CC(=O)N2CCN(c3ccccc3Cl)CC2)C1=O	653728734	ZLIMJULIBSVJPN-IBGZPJMESA-N	377.872	2.164	0	1	GEAF	
CCN(CC)CCNC(=O)c1c(CO)[nH]c(/C=C2\C(=O)Nc3ccccc32)c1C	1857634961	FFDSXUZFRGEZIW-VBKFSLOCSA-N	396.491	2.380	0	1	GEAF	
NS(=O)(=O)c1cc(C(=O)Nn2cnc3ccccc32)c(Cl)cc1Cl	1857762802	AKBIFIJQRGIDLH-UHFFFAOYSA-N	385.232	2.374	0	1	GEAF	
COCC(=O)N[C@@H]1[C@@H](c2ccccc2)N(Cc2ccncc2F)CC[C@@]1(C)O	2356549365	ZQAFXBOBRXAYSZ-NJDAHSKKSA-N	387.455	2.050	0	1	GEAF	
CC(C)(O)[C@@H]1Oc2c(O)cc([C@H]3CC(=O)c4c(O)cc(O)cc4O3)cc2[C@H]1O	2356622037	ZKWKPRFUKLOWLB-LSBZLQRGSA-N	388.372	2.075	0	1	GEAF	
COc1cc([C@@H]2c3cc4c(cc3O[C@@H](NN)[C@H]2C)OCO4)cc(OC)c1OC	19167252	HUJNELKPXBNWGW-KIPFWBAZSA-N	388.420	2.391	0	1	GEAF	
CC(C)NC(=O)CN1CCN(CCc2ccc(-c3cccc(N)n3)cc2)CC1	26575572	GJKKUWOOEFFGOH-UHFFFAOYSA-N	381.524	2.016	0	1	GEAF	
Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3c[nH]c4ncccc34)[C@@H](C)C2)cc1	28826920	NHMZZPYSOHOZKU-HNNXBMFYSA-N	398.488	2.407	0	1	GEAF	
O=C(NC[C@@H]1[C@@H](c2ccccc2)[C@H](CO)N1C(=O)C1CCC1)NC1CCCC1	95894898	PSPYKSKJQZXCHI-HSALFYBXSA-N	385.508	2.384	0	1	GEAF	
CCC(=O)N1[C@H](CN(C)C(C)=O)[C@@H](c2ccc(-c3cccnc3)cc2)[C@@H]1CO	95895357	BKBOAOSUDHSALI-RZUBCFFCSA-N	381.476	2.292	0	1	GEAF	
O=C(O)c1cn(C2CC2)c2c(F)c(N3C[C@@H]4CC[C@@H]3CN4)c(F)cc2c1=O	100959809	YEGBYBZWOAXYLK-GXSJLCMTSA-N	375.375	2.253	0	1	GEAF	
CO[C@H]1[C@@H]([C@H]2CC(=O)N(c3ccc(Cl)cc3)C(=O)N2)O[C@@H]2OC(C)(C)O[C@H]12	103297143	BVDQLOMODWVSCE-YMILTQATSA-N	396.827	2.046	0	1	GEAF	
NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCN1C(=O)[C@@H]1CNc2ccccc21	209414219	SWAURKKDQDEGLU-MJGOQNOKSA-N	398.894	2.225	0	1	GEAF	
COc1ccc([C@H]2C[C@@H]2COc2cc(NCc3cc(C)on3)c(=O)n(C)n2)nc1	218376304	PDDWFXXFUHQPLD-CJNGLKHVSA-N	397.435	2.275	0	1	GEAF	
CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2ccc(S(N)(=O)=O)cc2[nH]1	586963682	QFHOWDODQXMCPG-GFCCVEGCSA-N	379.467	2.258	0	1	GEAF	
Ic1nccnc1-c1nc2cc3c(cc2[nH]1)OCCO3	587186345	IJFUEGARHRPEMS-UHFFFAOYSA-N	380.145	2.396	0	1	GEAF	
CCOc1cc(-n2c(O)ccc2OCC[C@H](N)C(=O)O)c(Cl)cc1C(=O)O	587940479	JJPCBZLMPKPJOT-NSHDSACASA-N	398.799	2.114	0	1	GEAF	
OCCN1CC2(CCN(c3nc(O)c4c(n3)CCCC4)CC2)c2ccccc21	1857615196	LZWJZQDOBCFTSD-UHFFFAOYSA-N	380.492	2.412	0	1	GEAF	
COc1ccc(C(=O)N[C@@H]2[C@H](c3ccc(C(F)(F)F)nc3)C[C@@H](O)[C@H]2O)cc1	2356287048	XKDVBHFVUCZXLU-XOSAIJSUSA-N	396.365	2.117	0	1	GEAF	
COc1cc(O)c([C@@H]2Oc3cc(OC)c(OC)c(O)c3C(=O)[C@@H]2OC)cc1O	2356589663	NHPWTKFADZKYEO-HKUYNNGSSA-N	392.360	2.161	0	1	GEAF	
COc1ccc([C@]2(C(C)=O)c3cc4c(cc3C(=O)[C@@]2(C)O)OCO4)cc1OC	2356694897	MEAISABYZJYHCH-NHCUHLMSSA-N	384.384	2.255	0	1	GEAF	
COc1ccc2c(c1)[C@@H]1C[C@@](C)(NC(=O)[C@@H]1S(=O)(=O)c1ccc(F)cc1)O2	13878691	GJKPWCBSLUIPLX-WDYCEAGBSA-N	391.420	2.389	0	1	GEAF	
N=C(N)NCCC[C@@H](NC(=O)c1cccc(-c2cccc(Cl)c2)c1)C(=O)O	28707150	AIOHYTJWSYOEPD-MRXNPFEDSA-N	388.855	2.453	0	1	GEAF	
COc1ccc(-c2nc3c(NCC4CC4)ncnc3n2CCNC(C)=O)cc1	82179772	WAPFVYUBPJLFCZ-UHFFFAOYSA-N	380.452	2.460	0	1	GEAF	
Nc1ccc(C[C@@H](C(=O)O)c2cn([C@@H]3CCN(c4ccccc4)C3=O)cn2)cn1	137971893	PZVHBTKXUXKQNV-SJLPKXTDSA-N	391.431	2.249	0	1	GEAF	
COc1cc(-c2ccc3c(c2)[C@]2(COC(N)=N2)C2(COC2)C(C)(C)O3)ccn1	148949834	KHXXKWQBUJEQDU-OAQYLSRUSA-N	381.432	2.485	0	1	GEAF	
CC1=NN(C(=O)c2cc3ccccc3oc2=O)C(=O)[C@@H]1CNc1ccccn1	169351911	WKTAQUORBZYPEM-OAHLLOKOSA-N	376.372	2.275	0	1	GEAF	
O=C(Nc1cnn(S(=O)(=O)c2cnc3ccccc3c2)c1)c1ccccn1	206056640	VNPJHDNYRCLCNW-UHFFFAOYSA-N	379.401	2.316	0	1	GEAF	
NS(=O)(=O)c1ccc(CCc2nc3cc(-n4cccn4)c(F)cc3[nH]2)cc1	586929148	BSHZLQGMCCLABD-UHFFFAOYSA-N	385.424	2.320	0	1	GEAF	
Clc1cnc(Br)c(-c2nc3ccc(-n4cnnn4)cc3[nH]2)n1	587005228	DEWHFKIMCPHSJR-UHFFFAOYSA-N	377.593	2.412	0	1	GEAF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cnc(O)n(C)c2=O)N1	587799029	VVJSEUOBFDRSGB-BCTVWOGZSA-N	382.233	2.185	0	1	GEAF	
CCOC1(OC)C(Br)=CC(O)(CC(=O)O)C=C1Br	2356416902	JIPXUBZWICCGQQ-UHFFFAOYSA-N	386.036	2.143	0	1	GEAF	
CCCS(=O)(=O)NC(=O)[C@@]1(C)CCCN(C(=O)CCc2ccccc2)C1	206019615	MYYDJKWWBSZMGK-IBGZPJMESA-N	380.510	2.104	0	3	GEAF	
O=C(O)c1cn(C2CC2)c2c(F)c(N3CCN4CC[C@H]3C4)c(F)cc2c1=O	13649304	ZWLNNJUVRYMXIQ-NSHDSACASA-N	375.375	2.207	0	1	GEAF	
COCC[C@@](O)(C(=O)O[C@@H]1CN2CCC1CC2)c1cccc(Br)c1	13650138	RFBRDNUZPRPAFU-AEFFLSMTSA-N	398.297	2.311	0	1	GEAF	
O=C(NCCNC[C@H](O)COc1ccc(-c2ncc[nH]2)cc1)Nc1ccccc1	26019558	UEWUDFSGKGXWSF-SFHVURJKSA-N	395.463	2.228	0	1	GEAF	
CC(=O)Oc1c(C)c(C)c(OC(C)=O)c2c1[C@H](OC(C)=O)O[C@@H]2OC(C)=O	27712398	URISUIIXCQACQI-HDICACEKSA-N	380.349	2.308	0	1	GEAF	
CCc1nc(C(=O)N[C@@H](Cc2ccccc2)C(=O)OCCN(C)C)cs1	82069246	CMGQKNISFNAQQF-HNNXBMFYSA-N	375.494	2.151	0	1	GEAF	
Cc1ncsc1CCn1c(=O)c(NCc2ccoc2)c2n(c1=O)[C@H](C)CN2	82224489	KZUYGAQEIKDWEJ-LLVKDONJSA-N	387.465	2.209	0	1	GEAF	
COC(=O)[C@@H]1C[C@@H](O)C[C@@H]2[C@@H]1C(=O)C[C@@H]1C(=O)O[C@H](c3ccoc3)C[C@]12C	100780943	LPHWMSVPEOJPHG-KKSWTADWSA-N	376.405	2.039	0	1	GEAF	endogenous,in-man
CCCc1c(Cn2ccnc2-c2cccc(C#N)n2)ncn2nc(COC)nc12	135964622	MYVNHGGGZLUKTQ-UHFFFAOYSA-N	388.435	2.402	0	1	GEAF	
O=C(CN1CCC[C@@H]1CO)Nc1ccc(OC2CCN(C3CCC3)CC2)cc1	148999599	HOZVMYDPSRZMDR-LJQANCHMSA-N	387.524	2.478	0	1	GEAF	
Cc1ccc(-c2cn(-c3c(F)c(F)c(S(N)(=O)=O)c(F)c3F)nn2)cc1	299832688	QQUODVLUOFUQJP-UHFFFAOYSA-N	386.330	2.447	0	1	GEAF	
CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3c(Br)nccc3[nH]2)c1	586937956	HSIFPFZAQNEKRX-UHFFFAOYSA-N	384.259	2.402	0	1	GEAF	
O=C(CNCc1cc(F)cc(F)c1)Nc1ccc2nc3n(c(=O)c2c1)CCC3	1857762838	NLUCFDWSIZAJOW-UHFFFAOYSA-N	384.386	2.349	0	1	GEAF	
CC[C@H]1CN(S(=O)(=O)c2ccccc2)CC[C@@H]1CC(=O)N(C)CCC#N	25427801	MPDUBJLMDMBNOM-DLBZAZTESA-N	377.510	2.486	0	1	GEAF	biogenic
COc1c(O)cc2c(c1O)C(=O)O[C@@H](C)[C@H]2c1c(O)cc(O)cc1CC(C)=O	31165342	WWRKPZJOLNCLEL-BJOHPYRUSA-N	388.372	2.340	0	1	GEAF	biogenic
COC(=O)[C@H](CC(C)C)NC(=O)c1ccc(C(=O)N(C)C)cc1OC(C)C	38331318	ACAJSWIJROZJTC-INIZCTEOSA-N	378.469	2.493	0	1	GEAF	
O=C(Nc1ccc(F)cc1)N[C@@H]1CC[C@@H](CC(=O)N2CCCCC2)O[C@@H]1CO	95906017	KCKILWFDBJPGIO-RCCFBDPRSA-N	393.459	2.258	0	1	GEAF	
Cc1ncccc1OC[C@H]1CN(CC(=O)N2c3ccccc3C[C@H]2C)CCO1	222445682	COXVGVOSFMXIOC-VQIMIIECSA-N	381.476	2.447	0	1	GEAF	
O=C(O)Cn1c(=O)c(-c2ccc(O)cc2O)nc2cc(Br)ccc21	299861264	IAWGDYIGBPSIEJ-UHFFFAOYSA-N	391.177	2.322	0	1	GEAF	
CC1=C(c2ccc3nc([C@@H](C)NC(=O)CC(F)(F)F)[nH]c3c2)NNC(=O)C1	587091811	JKJQOFHSZYJTSG-SECBINFHSA-N	381.358	2.448	0	1	GEAF	
C=CS(=O)(=O)N1CCN(Cc2cc(F)c(Br)c(F)c2)CC1	618020183	CDQXNYUZUBHZHP-UHFFFAOYSA-N	381.242	2.318	0	1	GEAF	
CS(=O)(=O)c1cccc([C@@H]2N[C@H](C(=O)O)Cc3c2cnc2ccccc32)c1	963228112	NBJBAXHLWHOZJQ-OALUTQOASA-N	382.441	2.327	0	1	GEAF	
Cc1ccc(CNc2cc(OC[C@H]3C[C@@H]3c3ccn(C)n3)nn(C)c2=O)nc1	1772603959	NEGGMMQHSYMMPJ-ZBFHGGJFSA-N	380.452	2.012	0	1	GEAF	
Cn1c2ccccc2c2ccc(N3CCN([C@@H]4CCN(C#N)C4)S3(=O)=O)cc21	1857608699	RDKAVXKUDTXJRS-MRXNPFEDSA-N	395.488	2.254	0	1	GEAF	
O[C@@H]1[C@@H](NCc2ccccc2)[C@H]2CO[C@@H](O2)[C@@H]1n1cc(-c2ccccc2)cn1	2356319884	OTDDEKUWJXSDEK-YHINDDMVSA-N	377.444	2.366	0	1	GEAF	
COC(=O)c1ccc2c(c1)nc1n2[C@H](CNC(=O)c2ccc(F)cc2)COC1	2356491807	QAEMOOZDKSJXAH-OAHLLOKOSA-N	383.379	2.463	0	1	GEAF	
COC(=O)c1ccc2c(c1)nc1n2[C@H](CNCc2ccc(C(=O)O)cc2)COC1	2356755672	HNIJEFWUIARYQA-MRXNPFEDSA-N	395.415	2.382	0	1	GEAF	
CC[C@]12C=CCN3CC[C@]4(c5ccc(OC)cc5N[C@@H]4[C@@](O)(C(=O)OC)C1)[C@H]32	2356758866	MLIQIRKAHMVCDD-ZQONDGBOSA-N	384.476	2.075	0	1	GEAF	
Cn1cc(CN2CCC[C@H](CNS(=O)(=O)c3cccc4cccnc34)C2)cn1	12210127	ICTSOZZGRWKDKB-MRXNPFEDSA-N	399.520	2.159	0	3	GEAF	
COc1cccc2c1C(=O)c1ccc3c(c1C2=O)C(=O)[C@H](O)[C@H](C)[C@H]3OC(C)=O	14688673	DXRKISDBIVBBFG-GFKBJPDVSA-N	394.379	2.268	0	1	GEAF	biogenic
O=S(=O)(c1ccc2c(c1)CCNCC2)N1CC(Oc2cccc(Cl)c2)C1	40953817	JNHCCBWKEWPLHB-UHFFFAOYSA-N	392.908	2.480	0	1	GEAF	
CC(C)NC(=O)N1[C@H](CO)[C@@H](c2ccccc2)[C@@H]1CN(C)C(=O)c1ccncc1	95894834	KPHVTGIVUOUIIJ-ZCNNSNEGSA-N	396.491	2.101	0	1	GEAF	
NS(=O)(=O)c1ccc(NC(=O)Cc2ccc(F)cc2)c(Br)c1	96928856	GJOSLHKGRXFLKT-UHFFFAOYSA-N	387.230	2.417	0	1	GEAF	
Cc1ccc2sc(Nc3ncccc3C(=O)N3CCN(CCO)CC3)nc2c1	103284523	JNUIBEFBWIJVNU-UHFFFAOYSA-N	397.504	2.493	0	1	GEAF	
N[S@](=O)c1ccc(-c2ccc3ncc(-c4ccc([S@@](N)=O)cc4)n3n2)cc1	169306695	GPSFPNVATVOSQW-SXOMAYOGSA-N	397.485	2.026	0	1	GEAF	
COC(=O)[C@]1(O)C[C@@]23CCCN4CC[C@@]5(c6cccc(OC)c6N[C@]15CC2)[C@@H]43	238736111	ADIZHYKMXNXYPA-NBYDKTAJSA-N	384.476	2.053	0	1	GEAF	
COc1ccccc1[C@]1(CC2OCCO2)N[C@H](C(=O)O)Cc2cc(F)ccc21	962909267	WOKHIVSGZMHXQA-LAUBAEHRSA-N	387.407	2.440	0	1	GEAF	
Cc1cccc(N2CCN([C@@H]3C(=O)Nc4ccccc4-n4nnnc43)CC2)c1C	95568113	BJLQAHHRAKUGOH-IBGZPJMESA-N	389.463	2.095	0	3	GEAF	
Cc1ccc(C)c(N2CCN([C@H]3C(=O)Nc4ccccc4-n4nnnc43)CC2)c1	95570976	ACRCQSAOMOGZDE-LJQANCHMSA-N	389.463	2.095	0	3	GEAF	
CC(C)[C@H](NC(=O)c1ccco1)C(=O)N1CCC[C@H]1C(=O)NCc1ccccc1	198921638	NLWQKPAWULLZLS-HKUYNNGSSA-N	397.475	2.341	0	3	GEAF	
CC(C)(C)[C@@H](C(=O)NCc1ccccc1)N1CCN(C(=O)[C@H]2CCCO2)CC1	199246259	SNFRQKUJPJADRW-RTBURBONSA-N	387.524	2.041	0	3	GEAF	
NC(=O)c1ccc(NC(=O)CCCC2=NS(=O)(=O)c3ccccc3N2)cc1	4598459	MMZIGIDXGPZUBQ-UHFFFAOYSA-N	386.433	2.107	0	1	GEAF	
Cc1c(O)ccc2c(CC(=O)N[C@H](Cc3ccccc3)C(=O)O)cc(=O)oc12	26772077	YENQSFQDAPRFCL-MRXNPFEDSA-N	381.384	2.162	0	1	GEAF	biogenic
CC(=O)NC[C@H]1CN(c2ccc(N3C(=O)c4ccccc4C3=O)c(F)c2)C(=O)O1	27418989	OXXKZEMEXANHKF-ZDUSSCGKSA-N	397.362	2.088	0	1	GEAF	
COCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1coc2cc3occc3cc2c1=O	71340459	UGYSIYJDTJULMI-KRWDZBQOSA-N	398.371	2.357	0	1	GEAF	
COc1cc(C2=C(c3c[nH]c4ccncc34)C(=O)NC2=O)cc(OC)c1OC	95574656	JJIWTVPITVCQSQ-UHFFFAOYSA-N	379.372	2.156	0	1	GEAF	
C/C=C/c1ccc([C@H]2[C@@H](CO)N(S(C)(=O)=O)[C@@H]2CN(CC)C(=O)CC)cc1	95895686	HSUXERLKQQDBIM-UYUIHFPHSA-N	394.537	2.067	0	1	GEAF	
CCOC(=O)[C@H]1CCCN(C(=O)Cn2ncc3c4ccccc4nc-3c2O)C1	102743385	DTSQXCJFQYOEMD-ZDUSSCGKSA-N	382.420	2.043	0	1	GEAF	
CN1CCN(c2ccc([C@@H]3C[C@@H]3C(=O)N3CCN(C4CCC4)CC3)cc2)C1=O	113838421	DMMCUDUSMNFCHZ-PMACEKPBSA-N	382.508	2.359	0	1	GEAF	
Cc1cc(-c2n[nH]c3cc(NC(=O)N[C@H](CO)C(F)(F)F)ncc23)ccn1	219747597	UTDPVKZXKYISHC-GFCCVEGCSA-N	380.330	2.373	0	1	GEAF	
COc1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cccnc3)C2)c1	365162910	CVBINDUCBSRBTL-AWEZNQCLSA-N	375.450	2.130	0	1	GEAF	
CC(=O)[C@H]1C(=O)N2CCCc3cccc(c32)[C@]12c1ccsc1CCN2C(N)=O	962700478	JQKDQHJTVJPMJF-LAUBAEHRSA-N	395.484	2.427	0	1	GEAF	
O=C(O)c1cccc2c1CCN[C@@]21C(=O)Nc2cc(O)c(Br)cc21	963121649	KPXGRMORDWECRP-KRWDZBQOSA-N	389.205	2.194	0	1	GEAF	
NCC(=O)N1CCC[C@@H]1C(=O)Nc1nc2ccc(OC(F)(F)F)cc2s1	1857634439	JGKHCLXJRFDNMI-SNVBAGLBSA-N	388.371	2.083	0	1	GEAF	
NC(=O)c1cccc(NC(=O)[C@H](CC2CCCCC2)NC(=O)c2ccno2)c1	1911570583	NOVNJWXDXXOUTK-INIZCTEOSA-N	384.436	2.481	0	1	GEAF	
Nc1ncnc2c1c(Oc1cc(Cl)ccn1)nn2C[C@H]1CCNCC1(F)F	1911575092	IZLLHUGKVKUNCP-SECBINFHSA-N	395.801	2.494	0	1	GEAF	
COCCN1C(=O)[C@H]2C[C@@H](CN2C(=O)Cc2ccccc2)Oc2ccccc21	2356290985	HHCNSRAZOYLEAK-PKOBYXMFSA-N	380.444	2.271	0	1	GEAF	
CCc1nn2c(=O)c(S(=O)(=O)Nc3ccc(Cl)cc3)c(C)nc2s1	6823063	RNUPAOQUHZGTLB-UHFFFAOYSA-N	384.870	2.476	0	3	GEAF	
O=C1NCCN1c1ccc(S(=O)(=O)Oc2ccc(-n3ccnc3)cc2)cc1	72109681	MNACOHBLRCWIPZ-UHFFFAOYSA-N	384.417	2.170	0	1	GEAF	
CCS(=O)(=O)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2CC1CCCC1	95794142	CJXWLRNZKMQXON-MOPGFXCFSA-N	378.538	2.041	0	1	GEAF	
CN(C)CCCNC1=C2C(=N[C@H]3C=CC(C(=O)O)=C[C@@H]23)N(C)c2ccccc21	103165879	HGPMOFFVHNVOOV-SJORKVTESA-N	378.476	2.367	0	1	GEAF	
COc1cc2c3c(c1)O[C@@](c1ccc(Br)cc1)(C(O)O)[C@@H](C2)C3=O	587417947	NROKEUXFHMSSQS-SCLBCKFNSA-N	391.217	2.411	0	1	GEAF	
COc1cc(-c2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)cc(OC)c1O	587786689	VHBJPPIKYAULDJ-UHFFFAOYSA-N	377.422	2.203	0	1	GEAF	
CC(=O)OCC1(COC(C)=O)N[C@@H](C)Cc2ccc(F)c(Br)c21	587797327	WHXKIGNWSTWJRP-VIFPVBQESA-N	388.233	2.444	0	1	GEAF	
Cc1c(C(=O)N2CC(c3ccccc3)C2)cnn1-c1nc(O)c2c(n1)CCC2	1857577634	CULBEHPKBQEUGD-UHFFFAOYSA-N	375.432	2.405	0	1	GEAF	
COc1cc(CC[C@H]2C[C@H](O)[C@H](O)[C@@H](c3ccc(O)c(OC)c3)O2)ccc1O	1911582916	LCGBLCKQJODKLT-QMHYAUOFSA-N	390.432	2.300	0	1	GEAF	
c1cc2c(cc1-c1cn3c(n1)CO[C@H](CNC1CCOCC1)C3)OCCCO2	2356316545	VSIIJYXNIRCXAD-QGZVFWFLSA-N	385.464	2.379	0	1	GEAF	
Cc1ccc(NC(=O)CCNS(=O)(=O)c2cccc3nsnc23)cc1	3665802	JLRCTOVDHOHSFL-UHFFFAOYSA-N	376.463	2.307	0	3	GEAF	
CNc1cc2c(=O)c(C(=O)O)cn(C)c2cc1N1CCN(c2ccccn2)CC1	5852546	XSTYOAIIARARJH-UHFFFAOYSA-N	393.447	2.000	0	1	GEAF	
O=C(/C=C/c1ccc(O)cc1)OC[C@H](CO)OC(=O)/C=C/c1ccc(O)cc1	13452018	BGQSICSUVXWPAE-OHIBTADASA-N	384.384	2.272	0	1	GEAF	
O=C(Nc1ccc2c(c1)CN(S(=O)(=O)c1cccnc1)CC2)c1ccccn1	15072504	ROFMDXRLZRAAMV-UHFFFAOYSA-N	394.456	2.476	0	1	GEAF	
COC(=O)[C@@H]1CN(C(N)=S)C[C@H]1c1ccc(OC)c(OC2CCCC2)c1	26159760	VUVAXWZQOZIXEJ-LSDHHAIUSA-N	378.494	2.449	0	1	GEAF	
CCCN(CCNS(=O)(=O)N(CC)CC)[C@H]1CCc2c(O)cccc2C1	28007754	BEHVFSCUEIBFFU-KRWDZBQOSA-N	383.558	2.138	0	1	GEAF	
CCOC(=O)c1ccccc1NC(=O)N1CCCN1C(=O)[C@@H](N)[C@@H](C)CC	28330565	JBBNVIUANFBRBD-BBRMVZONSA-N	376.457	2.218	0	1	GEAF	
CC(=O)N1CC2(C1)[C@@H](c1ccc(-c3ccc(F)cc3)cc1)[C@H](CO)N2C(C)=O	95794083	ZKEDJFSNOIYPIT-SFTDATJTSA-N	382.435	2.400	0	1	GEAF	
N=C(N)c1ccc([C@H]2[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3[C@@H]3CCCN32)cc1	146746237	QKVYJJDWLBNNSF-YRPNKDGESA-N	388.471	2.291	0	1	GEAF	
Cc1cc(-c2n[nH]c3cc(NC(=O)N[C@@H](CO)C(F)(F)F)ncc23)ccn1	219747527	UTDPVKZXKYISHC-LBPRGKRZSA-N	380.330	2.373	0	1	GEAF	
CC1=C(C(=O)O[C@@]23OC[C@]4(C)[C@@]2(C)C(=O)C[C@]2([C@@H](C)CC[C@]24O)[C@H]3O)CCC1	263638169	SGFRFWVBCRSHNZ-NUTBCIOSSA-N	390.476	2.264	0	1	GEAF	
COc1ccc(S(=O)(=O)N[C@@H](c2nc3ccc(F)cc3[nH]2)[C@@H](C)O)cc1	586939281	SSEIDZBWHNABSA-QLJPJBMISA-N	379.413	2.111	0	1	GEAF	
O=C(Nc1ccccc1)N1C[C@H](O)[C@H](N2CCN(Cc3ccccc3)CC2)C1	1857559715	ZSFWHFNKTZMAOR-RTWAWAEBSA-N	380.492	2.081	0	1	GEAF	
CC(C)CN[C@@H]1C[C@H](O)[C@@H](CO)[C@H]1Cc1ccnc(COc2ccccc2)n1	2356456564	JFNJURZZYRJCMV-MHTWAQMVSA-N	385.508	2.202	0	1	GEAF	
O=C(c1cc2n(n1)CCCN(Cc1ccc(Cl)cc1)C2=O)N1CCOCC1	21933918	IEYQVNANHIGNTQ-UHFFFAOYSA-N	388.855	2.055	0	1	GEAF	
Cc1[nH]cnc1CCCNC(=O)[C@@H]1CCCN1C(=O)[C@H](N)CC1CCCCC1	26661112	AJQBUSJAXOCRAK-MJGOQNOKSA-N	389.544	2.056	0	1	GEAF	
N[C@H]1CCN(c2nc3[nH]cc(CNCCCc4ccccc4)c(=O)c3cc2F)C1	26984926	SAOCWGLEFKHRHN-KRWDZBQOSA-N	395.482	2.322	0	1	GEAF	
CC(=O)OC(C)(C)C(=O)N1C(=O)C[C@H]2[C@@H](C(=O)OCc3ccccc3)CC[C@@H]21	27518462	QVBHXLNWUKWXLM-ULQDDVLXSA-N	387.432	2.225	0	1	GEAF	
COC(=O)CC/C=C/C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)COc1ccccc1	27617680	UZNDZCMEQDUSGM-LJMSIDATSA-N	390.476	2.240	0	1	GEAF	
O=C1N[C@H](CN2CCN(c3ccccc3)CC2)[C@@H](COC(=O)c2ccccc2)O1	72106348	LJRZJTUYQDPOTI-WOJBJXKFSA-N	395.459	2.143	0	1	GEAF	
COc1cc2nc(NC[C@H](O)CO)nc(NCC3CCCCC3)c2cc1OC	82124987	CEKNJVOLBXBVCC-AWEZNQCLSA-N	390.484	2.404	0	1	GEAF	
O=C(c1cccnc1)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2C(=O)C1CCC1	95794273	SUBNAZNMSQVXDD-WOJBJXKFSA-N	391.471	2.063	0	1	GEAF	
Cc1ccn(CC(=O)N2CCc3cc(-c4cn(C)c5ncnc(N)c45)ccc32)n1	96285837	HJXSOEITHNLYIC-UHFFFAOYSA-N	387.447	2.312	0	1	GEAF	
CCO/C(O)=C1\C(C)=Nc2nnnn2[C@H]1c1cc(OC)c(OC)c(OC)c1	104026331	HWLHRZSJQOTXNG-BXWAGETQSA-N	375.385	2.200	0	1	GEAF	
CO[C@]12C=C[C@@]3(C[C@@H]1C(C)(C)O)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1C)[C@H]2O5	169347050	ZGKVSNGVCSJFTE-WEUAAKDTSA-N	383.488	2.383	0	1	GEAF	
COc1ccc(NC(=O)CCCN2C(=O)[C@H]3[C@@H]4C=C[C@H](C4)[C@@H]3C2=O)c(OC)c1	195432005	VBIGSIOZBVFIGC-BLDHALOPSA-N	384.432	2.230	0	1	GEAF	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nc(O)c2cnn(C)c2n1	587869969	RGZLRGCZDBJGOT-UHFFFAOYSA-N	391.313	2.344	0	1	GEAF	
C=CC(=O)N1CCC([C@H]2CCNc3c(C(N)=O)c(-c4ccccc4)nn32)CC1	1772602347	ZLHGLPXPAVHEQY-MRXNPFEDSA-N	379.464	2.430	0	1	GEAF	
O=C1[C@H](N2CC[C@H](c3ccc(O)cc3)[C@H](O)C2)CCN1Cc1ccc(F)cc1	1772603490	NIPVYFDEJFFCLH-NJDAHSKKSA-N	384.451	2.483	0	1	GEAF	
c1cc(CN2CCN(c3cc(N4CCCC4)nc(N4CCCC4)n3)CC2)ccn1	1772621229	RVAGESXTEHAWEY-UHFFFAOYSA-N	393.539	2.394	0	1	GEAF	
COc1nn(C)c2ncnc(NS(=O)(=O)c3cccc(Cl)c3Cl)c12	1772629219	WEUWVPFLKDUZFK-UHFFFAOYSA-N	388.236	2.480	0	1	GEAF	
COc1ccc(F)cc1OC1CN(S(=O)(=O)c2ccc3c(c2)OCO3)C1	1857772751	ITSWPWUIGSLYHD-UHFFFAOYSA-N	381.381	2.015	0	1	GEAF	
CSc1cccc(NC(=O)N[C@@H]2CCN3C(=O)[C@@H](C(C)C)NC(=O)[C@@H]3C2)c1	2356738502	JFSQUUGWXKCLSP-VNQPRFMTSA-N	390.509	2.044	0	1	GEAF	
CN(CC(=O)NCc1ccc(F)cc1)S(=O)(=O)c1cccc2cccnc12	5067605	LGKSWWNLDXEQHI-UHFFFAOYSA-N	387.436	2.311	0	3	GEAF	
CC(C)Oc1c(C(=O)Nc2nnn[nH]2)[nH]c(Br)c1Br	1482759	YAVXFWIRHLXDJD-UHFFFAOYSA-N	394.027	2.092	0	1	GEAF	
COc1cc2c(c(O)c1OC)[C@H](O)[C@H]1CCC(=O)N1[C@@H]2c1ccc2c(c1)OCO2	6005654	LBMHTQBMZVLESM-QQGDVQBRSA-N	399.399	2.266	0	1	GEAF	
O=C1NC(=O)C(c2cncc3ccoc23)=C1c1cn2c3c(cccc13)CNCC2	28136372	OWNFHHCNBOIRTE-UHFFFAOYSA-N	384.395	2.453	0	1	GEAF	
CCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1ncc(CN)s1	28827366	XSSUNYOTSJFODB-AWEZNQCLSA-N	382.436	2.346	0	1	GEAF	
CC(=O)n1nc(NC(=O)c2ccccc2)c2c1CN(C(=O)c1ccncc1)C2	95576809	GQQYBEGDQZUETI-UHFFFAOYSA-N	375.388	2.347	0	1	GEAF	
COc1ccccc1NC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(C)=O	95894614	QJDNWBNBGNMAFV-GGPKGHCWSA-N	381.432	2.423	0	1	GEAF	
C[C@@H](Nc1cc(C(N)=O)nc(-c2ccc(Oc3ccc(F)cc3)cc2)n1)C(N)=O	142361099	RGTQZYMTUVQERN-LLVKDONJSA-N	395.394	2.460	0	1	GEAF	
C[C@]1(O)CC[C@H](n2c(=O)[nH]c3cnc(-c4cnc5ccc(F)cn45)nc32)CC1	143436356	YNRDKRQTLMFUKL-GGZYXLCDSA-N	382.399	2.440	0	1	GEAF	
FC(Br)(Br)c1nc2ccc(-n3cnnn3)cc2[nH]1	587087399	PSQXVOKZYFPJGQ-UHFFFAOYSA-N	375.987	2.408	0	1	GEAF	
C[C@H](Oc1ccccc1)C(=O)NCc1nc2ccc(CN3CCOCC3)cc2[nH]1	587226309	YOHNJDVITQIPBV-INIZCTEOSA-N	394.475	2.479	0	1	GEAF	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC(=O)N(c3ccc(F)cc3)N=C1C(=O)O)O2	587384318	JVHUPNLTQMWOSZ-FQEVSTJZSA-N	397.362	2.298	0	1	GEAF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@@H]3[C@H](C(=O)O)NC[C@@H]32)N1	587798645	UXGDSONUDOCKIX-VKWQWZGVSA-N	383.261	2.400	0	1	GEAF	
COC(=O)CC1(CC(=O)OC)N[C@@H](C)Cc2cc(Br)c(F)cc21	587806502	JMNXCVATOFGFGM-VIFPVBQESA-N	388.233	2.444	0	1	GEAF	
Nc1ncc(-c2cc(N3CCC3)nc(N3C[C@H](F)[C@H](F)C3)n2)cc1OC(F)F	653760501	DKORNSQCEGPLPQ-PHIMTYICSA-N	398.364	2.429	0	1	GEAF	
CN1C(=O)[C@@H](NC(=O)c2cnc(Cc3ccccc3)[nH]2)COc2ccccc21	1772625904	BHGNGKHGBLRBON-INIZCTEOSA-N	376.416	2.154	0	1	GEAF	
CC1=C2C(=NC(=O)[C@@H](NC(=O)c3cccc(C)c3)[C@H]2c2ccc(F)cc2)NN1	1857567324	VAAHZCZCFDLQGJ-ROUUACIJSA-N	378.407	2.337	0	1	GEAF	
CN(C)/C=C1\C[C@H]2C(=O)N(Cc3ccc(Cl)cc3Cl)[C@@H](N(C)C)N2C1=O	1911576181	WQZLSPMSILYBRI-OYRFGAIQSA-N	397.306	2.227	0	1	GEAF	
COCCN1C(=O)COCc2ccc(-c3ccc(S(C)(=O)=O)cc3)cc21	205232774	GOHBQHPAGLZXSF-UHFFFAOYSA-N	375.446	2.267	0	3	GEAF	
OC[C@@H](O)CNc1cc2c(Nc3cccc(Br)c3)ncnc2cn1	21289048	OJFNYXBTRFDYPU-LBPRGKRZSA-N	390.241	2.296	0	1	GEAF	
NS(=O)(=O)c1ccc(S(=O)(=O)Nc2cccc3[nH]cc(Cl)c23)cc1	26293039	QAUQDDYMIUOZRA-UHFFFAOYSA-N	385.854	2.270	0	1	GEAF	
COc1ccc2[n+](c1OCCCN1CCOCC1)CCc1cc3c(cc1-2)OCO3	28865090	LMUZKPIXUFNPOH-UHFFFAOYSA-N	399.467	2.036	0	1	GEAF	
C[C@@H]1NCCn2cc(-c3c(F)cc4c5c3OC[C@H](C)N5C[C@H](C(=O)O)C4=O)cc21	45300416	UVOXBGOBQIBHGB-MJVIPROJSA-N	399.422	2.443	0	1	GEAF	
CN(C)c1ccc(C(=O)OC[C@@]2(CO)C/C(=C\c3ccccn3)C(=O)O2)cc1	45498378	KCXYCCAYSVRIQM-HZBHDWBUSA-N	382.416	2.066	0	1	GEAF	
COc1cccc2c1CC[C@@H]1CN(CCn3c(=O)[nH]c4ccsc4c3=O)C[C@@H]21	95561264	CAEZRWQRXPFXAO-CZUORRHYSA-N	397.500	2.422	0	1	GEAF	
CN(Cc1ccccc1F)C[C@H]1[C@@H](c2ccccc2)[C@@H](CO)N1S(C)(=O)=O	95871846	DLEJVDVOONOYQE-XUVXKRRUSA-N	392.496	2.046	0	1	GEAF	
O=C(NC1CCC1)[C@H]1[C@H](CO)[C@H]2Cn3c(cccc3=O)[C@@H]1N2CC1CCCCC1	95881187	SWAQELUBXKJOOP-IVOMFYJKSA-N	399.535	2.061	0	1	GEAF	
O=C(Nc1cnn(S(=O)(=O)c2ccc(F)c(F)c2F)c1)c1ccccn1	116775764	KUBZRKMLPXTNNN-UHFFFAOYSA-N	382.323	2.185	0	1	GEAF	
COC1CCC2(CC1)Oc1ccc(OCC3CC3)cc1[C@@]21N=C(N)N(C)C1=O	140896624	OIMHOXZSLOPGKN-QPDBELLOSA-N	385.464	2.178	0	1	GEAF	
Cn1cc(-c2ccc3c(c2)CCn2c-3cc(OC[C@H]3CCCO3)nc2=O)cn1	209704906	HIUZQEMEHMKQTE-QGZVFWFLSA-N	378.432	2.425	0	1	GEAF	
Cc1ccc(-n2nccn2)c(C(=O)N2[C@H]3CC[C@H]2[C@@H](COc2ccncc2)C3)n1	473180536	ZJHCRHAIPQRCBA-RYRKJORJSA-N	390.447	2.438	0	1	GEAF	
NS(=O)(=O)c1ccc(CCc2nc3ccc(Br)nc3[nH]2)cc1	586929324	DPGTVXTYFJTCDZ-UHFFFAOYSA-N	381.255	2.153	0	1	GEAF	
COc1ccc(Cc2nc3ccccc3[nH]2)cc1S(=O)(=O)N1CCOCC1	586957298	XGZLQEIKHJLRCD-UHFFFAOYSA-N	387.461	2.183	0	1	GEAF	
O=C(N[C@@H](Cc1nc2cc3c(cc2[nH]1)OCCO3)C(=O)O)OCc1ccccc1	587202107	FNNIHNSCXGLLKK-HNNXBMFYSA-N	397.387	2.256	0	1	GEAF	
CN1[C@H]2COC[C@H]1CC(NC(=O)c1cn(-c3cscn3)c3ncccc13)C2	1772609918	CSIPBXCDLOWDNE-ZIAGYGMSSA-N	383.477	2.073	0	1	GEAF	
O=C1N=C(C2CCCCC2)NC12CCN(S(=O)(=O)Cc1ccccc1)CC2	1857639090	QZTPXKPAVKKAOI-UHFFFAOYSA-N	389.521	2.460	0	1	GEAF	
C[C@@H]1CC[C@H](O)C(=O)CCCC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1	1911581352	UJHRWDQPNFJVRT-RNCFNFMXSA-N	384.812	2.302	0	1	GEAF	
COC(=O)c1ccc2nc(CO[C@@H]3CN(C(=O)c4cccnc4)C[C@@H]3F)[nH]c2c1	2356360010	XCGZRYQRRSHFBI-WMLDXEAASA-N	398.394	2.124	0	1	GEAF	
O=C(C=Cc1ccccc1)O[C@@H]1C=CC(=O)O[C@@H]1[C@@H](O)[C@H](O)c1ccccc1	2356382595	GWFOGXDMANDIHC-GFRNBQLOSA-N	380.396	2.188	0	1	GEAF	
COc1ccc(CN2CCC(=O)N([C@H](CO)Cc3ccccc3)CC2)cc1OC	12474649	ZQZNHDTVMRUDMO-FQEVSTJZSA-N	398.503	2.342	0	3	GEAF	
O=C(NCCN1CCOCC1)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccccc1	4049069	LAEHUYWYUDZXJL-FPOVZHCZSA-N	379.460	2.227	0	1	GEAF	
C[C@H](CC(=O)NC1CCCC1)S(=O)(=O)c1ccc2c(c1)NC(=O)CS2	21529597	LZGHRWDRUSIWKP-LLVKDONJSA-N	382.507	2.342	0	1	GEAF	
CN(C)CCN(C)c1ncc(C(N)=O)c(Nc2cccc(C(F)(F)F)c2)n1	40409163	AUCUTHSZLQOOIC-UHFFFAOYSA-N	382.390	2.336	0	1	GEAF	
CO[C@@H]1COCC[C@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2CCc3ncccc3C2)C1	95598267	IDPCGLQTORUCBB-OPYGSTPGSA-N	399.535	2.309	0	1	GEAF	
O=S(=O)(c1ccccc1)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2CC1CC1	95668357	GHWIDDQEEQSIPI-LEWJYISDSA-N	398.528	2.300	0	1	GEAF	
C/C=C/c1ccc([C@@H]2[C@@H](CN(C(=O)COC)C(C)C)N(C(C)=O)[C@H]2CO)cc1	95895727	HKSWFDSECWATDS-MJQDCWMNSA-N	388.508	2.278	0	1	GEAF	
COCCNc1ccc(-c2cnc3ccc(NC4CCN(C)CC4)nn23)cn1	96907649	CNSDVZGTOGCFPQ-UHFFFAOYSA-N	381.484	2.356	0	1	GEAF	
CC1(C)CNC(=O)c2cc3ccc(C(=O)Nc4ccccc4C(N)=O)cc3n21	117692986	QCBWBIFENZHWFF-UHFFFAOYSA-N	376.416	2.471	0	1	GEAF	
CCOC(=O)Cn1c(=O)c2cnc3c(OC)cccc3c2n(C2CCCC2)c1=O	117803727	QVFKSVSVSZNHBI-UHFFFAOYSA-N	397.431	2.398	0	1	GEAF	
CS(=O)(=O)N(C[C@H](O)Cn1c2ccccc2c2ccccc21)c1cccnn1	148516567	PBEZVUPOVNIBMA-OAHLLOKOSA-N	396.472	2.412	0	1	GEAF	
COC(=O)/C=C(\C)C1=N[C@H]2C[C@@]3(C(=O)N(OC)c4ccccc43)[C@H]3C[C@@H]1[C@@H]2CO3	238754102	DFAOGMHFJLSDPA-GKAZSADQSA-N	396.443	2.200	0	1	GEAF	
N[C@@H]1NC=Nc2c(CN3C[C@@H](O)[C@H](CSc4ccc(Cl)cc4)C3)c[nH]c21	261186330	XOHKNCJZSMLXPF-WBHUJUFNSA-N	391.928	2.473	0	1	GEAF	
CCOC(=O)c1ccc2[nH]c(-c3cc(S(=O)(=O)NC(C)C)c[nH]3)nc2c1	586935929	KUOBWXYHYQKHLM-UHFFFAOYSA-N	376.438	2.421	0	1	GEAF	
COc1ccc(NC(=O)CN2C(=O)C[C@@H](C)S(=O)(=O)c3ccccc32)cc1	6806583	SMFIMJWLJKDDJA-CYBMUJFWSA-N	388.445	2.233	0	3	GEAF	
CCc1nc2ccc(C(=O)NCCCN(C)C)cn2c1N(CC)CCOC	61929194	HIOZJQLYZBLGOY-UHFFFAOYSA-N	375.517	2.051	0	3	GEAF	
COc1ccc(C(=O)N2CC[C@H]3NC(=O)N(c4cccc(OC)c4)C(=O)[C@H]32)cc1	4260652	JIDMYONQBHKTOS-MSOLQXFVSA-N	395.415	2.043	0	1	GEAF	biogenic
Cc1cc(S(=O)(=O)Nc2nc(N)n(-c3ccccn3)n2)c(S)cc1Cl	8651892	OGAWKMXCINNTTQ-UHFFFAOYSA-N	396.885	2.296	0	1	GEAF	
CC(C)[C@H](C(=O)OCC(=O)c1ccccc1)N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O	13151910	SUAQGZZDRBYGMI-UWAKZDDMSA-N	381.428	2.244	0	1	GEAF	
COc1cc(C[C@@H]2CN(C(C)=O)[C@@H](Cc3ccccc3)CN2)cc2c1OCO2	13379063	AZQJCMKZNJKNSU-MOPGFXCFSA-N	382.460	2.398	0	1	GEAF	biogenic
CN1C(C(=O)Nc2nccs2)=C(O)c2c(c3ccccc3n2C)S1(=O)=O	13605468	KBTUVAIXDZHWAC-UHFFFAOYSA-N	390.446	2.134	0	1	GEAF	
COc1cc(O)cc([C@H]2Oc3c(c(OC)cc4ccc(=O)oc34)O[C@H]2CO)c1	15268967	DAQYGJQQKJBBJA-DOTOQJQBSA-N	386.356	2.389	0	1	GEAF	biogenic
O=C(c1cccs1)N1CCN2C(=O)N(CCc3cccs3)C(=O)[C@@H]2C1	25430824	JURNZZDZFHBDPX-ZDUSSCGKSA-N	375.475	2.141	0	1	GEAF	biogenic
CCn1cc(C(=O)O)c(=O)c2cc(N)c(N3CCN(c4ccccn4)CC3)cc21	49813639	LEHQPVVADKQSJF-UHFFFAOYSA-N	393.447	2.023	0	1	GEAF	
O=C(CNC(=O)c1coc(-c2ccc3c(c2)OCO3)n1)NCC1CCCCC1	82084766	GEXVSCFHGDDTQY-UHFFFAOYSA-N	385.420	2.497	0	1	GEAF	
C[C@H]1COCCN1c1cc(CS(C)(=O)=O)nc(-c2ccc3[nH]ccc3c2)n1	84757911	XMHSFTLIAYTIQQ-ZDUSSCGKSA-N	386.477	2.395	0	1	GEAF	
O=c1ccn(CCCS(=O)(=O)CC(c2ccccc2)c2ccccc2)c(=O)[nH]1	96172753	JQQMSUHWRCESFB-UHFFFAOYSA-N	398.484	2.174	0	1	GEAF	
CC(C)(CC(=O)NC1CC1)CC(=O)N[C@H]1[C@H]2CC3C[C@@H]1C[C@](C(=O)O)(C3)C2	101272420	AOPXWZBVYOUGAH-QFKVYJATSA-N	376.497	2.467	0	1	GEAF	
O=C(NCc1ncc(S(=O)(=O)c2ccccc2)cn1)c1cc2cnccc2[nH]1	206007605	OZRAQAXRCJTJKY-UHFFFAOYSA-N	393.428	2.116	0	1	GEAF	
COc1ccc(CN=c2nc(Cl)[nH]c(=Nc3ccccc3CCO)[nH]2)cc1	473086902	DFRWKEIUZGKVHB-UHFFFAOYSA-N	385.855	2.268	0	1	GEAF	
CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N[C@@H](CC(C)C)C(N)=O)cc1	474607976	KUTNLOCRWRUAPB-KRWDZBQOSA-N	397.541	2.127	0	1	GEAF	
COc1cncc2[nH]c(-c3ccc(S(=O)(=O)NC[C@H]4CCCO4)cc3)nc12	586946641	NOVPLKJZUCQOCB-CYBMUJFWSA-N	388.449	2.091	0	1	GEAF	
CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2cccc(S(N)(=O)=O)c2[nH]1	587038948	CLRMJKHMNSORAD-JTQLQIEISA-N	384.483	2.193	0	1	GEAF	
COc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccccc3)nc(Cn3ccnn3)c12	1772633872	KNIOLISVKZUOKR-GFCCVEGCSA-N	392.423	2.489	0	1	GEAF	
COc1ccc(NC(=O)N2CCN(c3[nH]c(=N)nc4scnc34)C[C@@H]2C)cc1	1857647865	CKXIEWLODKBPTK-NSHDSACASA-N	399.480	2.250	0	1	GEAF	
CC1(C)O[C@@]23[C@H](O)[C@H]1[C@H](O)[C@H](OCc1ccccc1)[C@]2(C)CCC[C@]3(C)O	2356708503	RYQNPYYRVCATRG-UORBNBSKSA-N	376.493	2.412	0	1	GEAF	
C[C@@]1(C(=O)NS(=O)(=O)c2ccccc2Cl)CCN1C(=O)c1ccccc1	61906096	LFPJLZHRXXOPSP-SFHVURJKSA-N	392.864	2.450	0	3	GEAF	
CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(O)cc2)CC1	594193	DBIHYJYBNOCDLD-UHFFFAOYSA-N	397.406	2.285	0	1	GEAF	
COc1ccc(C2=NC3=C4C=C(Cl)C=C[C@@H]4OC(=O)[C@H]3C(NC(C)=O)=N2)cc1	45391991	WRUOGFGOQNRTMP-JKSUJKDBSA-N	397.818	2.478	0	1	GEAF	
CCCCNC(=O)c1cnc(N2CCC[C@H](C(N)=O)C2)nc1-c1ccccc1	82132449	JGCXRDGIMAOCSY-INIZCTEOSA-N	381.480	2.375	0	1	GEAF	
O=C(CC1CC1)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(-c3cccnc3)cc1)[C@@H]2CO	95869564	DGHPVEHYJCHVCF-QTEQDKRBSA-N	391.471	2.046	0	1	GEAF	
O=C(Nc1ccc(C(=O)N2C[C@H]3OCC[C@@H]3C2)cc1)N1Cc2ccncc2C1	166063085	TWENDCAVWTYMIJ-VQIMIIECSA-N	378.432	2.490	0	1	GEAF	
Cn1cc(-c2cc3c(-c4cccc(N5C[C@@H](N)C[C@@H](F)C5)n4)n[nH]c3cn2)cn1	205260491	WYNXSGCLOVESGX-KGLIPLIRSA-N	392.442	2.296	0	1	GEAF	
C[C@@H]1CCC=C2C[C@@H]3OC(=O)[C@H](CN4CCC5(CC4)OCCO5)[C@@H]3[C@H](O)[C@]21C	504796728	NIQPEHCERNDLQS-GWRIXIQFSA-N	391.508	2.110	0	1	GEAF	biogenic
COc1cc2c3c(c1)O[C@@](CN1C(=O)CCC1=O)(c1ccccc1)[C@@H](C2)C3=O	587435638	HKLGVLAOELFSII-AOMKIAJQSA-N	377.396	2.487	0	1	GEAF	
COC(=O)[C@@H](C[C@@]1(c2cccnc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3)N=O	587436326	NVXZSVFQRJXXSD-SXGZJXTBSA-N	382.372	2.431	0	1	GEAF	
COC(=O)CC[C@@]1(C(=O)OC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	587593211	KOPLNRZOUBFSBG-OXQOHEQNSA-N	386.356	2.219	0	1	GEAF	
CS(=O)(=O)Nc1ncc(C(=O)NCc2ccc(Cl)cc2Cl)cn1	621478164	FOHVIODPAZTLNX-UHFFFAOYSA-N	375.237	2.085	0	1	GEAF	
CCCCCC(=O)N1CC[C@](C)(O)[C@@H](NC(=O)COC)[C@@H]1c1cccs1	2356550902	NIGIYQJEEFJFGW-FHWLQOOXSA-N	382.526	2.484	0	1	GEAF	
CCOc1ccc2sc(NC(=O)CN3C(=O)[C@H]4[C@H]5C=C[C@H](C5)[C@H]4C3=O)nc2c1	4164460	VGCFYOLNWWPMCZ-QFBVAWSSSA-N	397.456	2.441	0	1	GEAF	
CN1CCN(c2c(F)c(F)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)CC1	28759366	QZGZNEIHSDIMDE-UHFFFAOYSA-N	381.354	2.204	0	1	GEAF	
C[C@H](NC(=O)C1(N)CCN(c2ncnc3[nH]ccc23)CC1)c1ccc(F)cc1	95582866	NYQLHIXUWWCSBD-ZDUSSCGKSA-N	382.443	2.272	0	1	GEAF	
COc1cc2nc(CNS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c2cc1C	586942100	RADPKKIGOZINEY-UHFFFAOYSA-N	389.433	2.130	0	1	GEAF	
COC(=O)c1cc(Cl)c2[nH]c([C@H](CC(N)=O)NC(=O)CC(C)C)nc2c1	587203131	IFJRUFHIWMQWOC-LBPRGKRZSA-N	380.832	2.082	0	1	GEAF	
COc1cc2c(cc1OS(N)(=O)=O)NC(=O)N(Cc1ccccc1C)C2	1772610525	WBVXDCBZFQGLIN-UHFFFAOYSA-N	377.422	2.134	0	1	GEAF	
O=C(N[C@H](C(=O)N1CCC[C@H]1C(=O)NC1CCCC1)c1ccccc1)C1CC1	198919710	XWYCEIAHOQBTOG-OALUTQOASA-N	383.492	2.304	0	3	GEAF	
CCOc1ccccc1[C@H]1ON=C(c2ccccc2)[C@H]1C(=O)NCCOCCO	4049150	QAADAUHTXIFHSN-TZIWHRDSSA-N	398.459	2.302	0	1	GEAF	
CC1=CC(=O)N(Nc2nc(C(F)(F)F)nc3ccc([S@@](C)=O)cc23)C1=O	13587561	FGFHRFLTVFDCAK-SANMLTNESA-N	384.339	2.028	0	1	GEAF	
CCCCc1cc2c(cn1)=C(OC(=O)c1ccco1)[C@@](C)(OC(=O)CC)C(=O)C=2	13817667	ZGCJQSUYSRNSPP-QFIPXVFZSA-N	397.427	2.058	0	1	GEAF	
COC(=O)c1sccc1S(=O)(=O)N1c2cc(F)ccc2NC(=O)[C@@H]1C	40953271	LWBHEWUBSURLSU-QMMMGPOBSA-N	384.410	2.210	0	1	GEAF	
CC[C@@]1(C(=O)OC)N[C@H](c2ccco2)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]21	59338463	MFLOOZLIIRLPET-QCBUCWTNSA-N	386.379	2.191	0	1	GEAF	
CCc1nc(C(=O)N2CCC[C@@H](C(=O)NCCCN3CCCC3)C2)cs1	82069515	ZJVGQSGYWBOOEY-OAHLLOKOSA-N	378.542	2.160	0	1	GEAF	
CC[C@H]1Cn2c(c(NC(C)=O)c(=O)n(Cc3cccc4ccccc34)c2=O)N1	82208090	YCHWATLJAVOIOQ-INIZCTEOSA-N	378.432	2.374	0	1	GEAF	
CCS(=O)(=O)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2CC1CCCC1	95794140	CJXWLRNZKMQXON-RTBURBONSA-N	378.538	2.041	0	1	GEAF	
O=C(NCC[C@@H]1CC[C@H](NC(=O)C2CC2)[C@@H](CO)O1)Nc1ccc(Cl)cc1	95904448	GLBDSUNETLJFTE-YESZJQIVSA-N	395.887	2.286	0	1	GEAF	
O=C1N[C@@H](C(=O)O)CCc2cn(cn2)C/C=C/COc2ccc(Cl)c1c2	103260953	ZFSWEKWDTCABOA-XGBNDESESA-N	375.812	2.301	0	1	GEAF	
NC(=O)[C@@H]1CC(F)(F)CN1C(=O)c1cc(OCC(F)(F)F)c(C2CC2)cn1	146422068	TXJZCVPDHAMLBN-NSHDSACASA-N	393.312	2.235	0	1	GEAF	
O=C(c1ccc2nc(COc3ccc(F)cc3)[nH]c2c1)N1CCN(CCO)CC1	587170933	VDXVOOZUXRFFNG-UHFFFAOYSA-N	398.438	2.031	0	1	GEAF	
COC(=O)CN1CCC2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1	587583620	UHSQLJBEOGNWGM-GOSISDBHSA-N	383.400	2.361	0	1	GEAF	
CC[C@@H]1Cc2c([nH]c3ccccc23)[C@]2(N1)c1cc(OC)ccc1C(=O)C2(O)O	962956945	ZCVVLDDKXXGPRQ-XUSGNXJCSA-N	378.428	2.222	0	1	GEAF	
Nc1n[nH]cc1[C@@]1(c2cccs2)N[C@H](C(=O)O)Cc2c1cnc1ccccc21	963231893	RWBBQIOQBWMZSH-JXFKEZNVSA-N	391.456	2.492	0	1	GEAF	
COc1ccc2c(c1)[C@]1(N[C@H](N)N(C)C1=O)C1(CCc3ccccc3CC1)C2	1772633548	YGKSFBUXLFXNHW-JTHBVZDNSA-N	377.488	2.316	0	1	GEAF	
COC(=O)C1=C2CCC3=C2[C@@]2(C1)[C@]1(C)[C@H](CC3)CN3C[C@H](C)[C@@H](C[C@H]1O)[C@@]32O	2356851297	QGBNRSITTUSHFL-AICVPWCPSA-N	385.504	2.388	0	1	GEAF	
Cc1ccc(CNC(=O)c2ccc3c(=O)n(C[C@@H]4CCCO4)c(=O)[nH]c3c2)cc1	2952636	YWKTYBOJAVVPFL-KRWDZBQOSA-N	393.443	2.107	0	1	GEAF	
COc1ccccc1N1CCN(C[C@H]2CN=C3Nc4ccccc4C(=O)N32)CC1	13780701	NTKYUOSZJNOSKS-MRXNPFEDSA-N	391.475	2.123	0	1	GEAF	
C[C@](O)(C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)C(F)(F)F	13905995	JHULBHUJZSPGJA-AWEZNQCLSA-N	380.388	2.113	0	1	GEAF	
NC(=O)c1cccc2c1OC[C@H](c1nc3ccc(-c4ccnc(N)n4)cc3[nH]1)C2	49066898	SYVSWXTTWVAEAH-CYBMUJFWSA-N	386.415	2.420	0	1	GEAF	
CC(=O)N1CCN(C(=O)c2cnc(N3CCCC3)nc2-c2ccccc2F)CC1	82160011	SWURFPQKBWWWMW-UHFFFAOYSA-N	397.454	2.187	0	1	GEAF	
CC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(-c2nsc(=O)o2)cc1	169334472	UTMWNVYSIIRNHA-MRXNPFEDSA-N	383.429	2.449	0	1	GEAF	
COc1cc2c(cc1OC)[C@]13CCN4C[C@H]5CCO[C@@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@H]43	195443160	BETNIDISFVHOSJ-MDRMMAGDSA-N	396.487	2.190	0	1	GEAF	
Cc1ccc(-n2nccn2)c(C(=O)N2[C@H]3CC[C@@H]2[C@@H](COc2ccccn2)C3)n1	226083440	SPNVMISESJDLQJ-IXDOHACOSA-N	390.447	2.438	0	1	GEAF	
COc1cc(C[C@H](O)[C@@H]2C[C@@H](O)C[C@H](c3ccc(O)c(OC)c3)O2)ccc1O	238775202	MWUQQAZSIPSFMW-HEFCWWFNSA-N	390.432	2.300	0	1	GEAF	
C[C@H]1CCCC=C[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@H](SCCN(C)C)CC(=O)O1	253861104	ZJXSOJSUKVKAPM-ZJNNMKFESA-N	385.570	2.460	0	1	GEAF	
Cc1c(Br)cnc2[nH]c(-c3cc(S(N)(=O)=O)ccc3F)nc12	587141966	GSMULYIJGNVLEJ-UHFFFAOYSA-N	385.218	2.482	0	1	GEAF	
O=C(O)C1=C[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C(=O)CO1	587356103	IFANDZYMUIDFCR-PXNSSMCTSA-N	384.315	2.197	0	1	GEAF	
CC(C)(C)OC(=O)N1CCOC[C@H]1[C@@H]1CCc2cc3c(O)nc(O)nc3nc21	587556574	BFWMLXVNIKHGLJ-AAEUAGOBSA-N	388.424	2.102	0	1	GEAF	
CC(=O)c1coc(CNC(=O)[C@@H]2[C@@H]3C=C[C@H]([C@H]2C(=O)NCC(C)C)C32CC2)n1	653756207	JPECDJOGSXCXAV-LTCOOKNTSA-N	385.464	2.094	0	1	GEAF	
C[C@@H]1C[C@@H]2OC(=O)[C@@H](CN3CCC(N(C)C)CC3)[C@H]2C[C@]2(C)[C@@H](O)CC[C@@H]12	1857577165	SUGWHIROXGPMPT-DLLLAPOCSA-N	378.557	2.377	0	1	GEAF	
COc1ccc(CCNC(=O)c2nnn(-c3cc(C)cc(C)c3)c2N)cc1OC	2957709	VWRJYOILVIJGKG-UHFFFAOYSA-N	395.463	2.456	0	3	GEAF	
COc1ccc(CN2C(=O)[C@H](CC(=O)NC3CC3)CC(C(=O)N(C)C)=C2C)cc1	61921004	JBKSYGDTIYJTMB-INIZCTEOSA-N	399.491	2.075	0	3	GEAF	
CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCO3)nc1	34949973	QTLAQJKRAIIARP-UHFFFAOYSA-N	394.430	2.074	0	1	GEAF	
C[C@H]1CSc2c(C(=O)O)c(=O)c3cc(F)c(N4CC[C@H](N)C4)c(F)c3n21	63539373	BJABYARMBVPDHZ-YUMQZZPRSA-N	381.404	2.182	0	1	GEAF	
COc1ccc(C(=O)N[C@@H]2CCSc3ccccc32)cc1S(N)(=O)=O	66167195	ZKQYOMMTUKXQNU-CYBMUJFWSA-N	378.475	2.310	0	1	GEAF	
CCOC(=O)c1cccc([C@@H]2N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)n1	963226534	OMSUKZUOWOSUGK-RTBURBONSA-N	377.400	2.495	0	1	GEAF	
COCC(=O)N[C@@H]1[C@H](c2ccccc2)N(Cc2c(C)noc2C)CC[C@@]1(C)O	2356330236	PWJRHLOMAXLBAS-PWRODBHTSA-N	387.480	2.121	0	1	GEAF	
CC=C(C)C(=O)O[C@H](c1cc2ccc(=O)oc2cc1OC)[C@@H](O)C(C)(C)O	2356410699	BAHUBXAYVOCLNA-QZTJIDSGSA-N	376.405	2.484	0	1	GEAF	
Cn1c(=O)cc(SCC(=O)N2CCN(c3ccccn3)CC2)c2ccccc21	4142116	CBNWPEQPUJLGRN-UHFFFAOYSA-N	394.500	2.374	0	3	GEAF	
CS(=O)(=O)N1CCCC[C@@H]1c1cc(C(=O)Nc2ccc3c(c2)OCO3)no1	61897528	LJUXJDKQEWCBSW-CYBMUJFWSA-N	393.421	2.142	0	3	GEAF	
CCC(=O)N1[C@H](C(=O)NCc2ccc(F)cc2)CSC12CCN(C)CC2	6943548	HMSPQHLBEBDZKW-INIZCTEOSA-N	379.501	2.218	0	1	GEAF	
CCCNC(=O)Cn1cc(OC)c(=O)cc1CSc1nc(C)cc(C)n1	10255037	XWGHGPNFLLAABC-UHFFFAOYSA-N	376.482	2.082	0	1	GEAF	
CN(C)C(=O)c1cccnc1NCCCN1CCN(c2ccccc2O)CC1	13764521	KWUUDOTZWFVZLU-UHFFFAOYSA-N	383.496	2.113	0	1	GEAF	
CCS(=O)(=O)N1C[C@@H]2C[C@H]1CN2CCCOc1ccc(C(=O)C2CC2)cc1	13859911	QTVBXBDQOCUNEN-ROUUACIJSA-N	392.521	2.156	0	1	GEAF	
Cc1cnc(N2CCN(c3ncccn3)CC2)nc1NCCOc1ccccc1	82203852	JNAAJDODVSOMMT-UHFFFAOYSA-N	391.479	2.393	0	1	GEAF	
CNC[C@H]1Oc2ncc(-c3ccc(OC)cc3)cc2C(=O)N([C@@H](C)CO)C[C@@H]1C	95732700	KUOLKNDJLDMVPT-AUSJPIAWSA-N	399.491	2.197	0	1	GEAF	
N[C@H]1COCC[C@H]1Nc1cc2cn[nH]c(=O)c2c(Nc2cccc3cc[nH]c23)n1	147028522	QEFLUXPUKNSHBH-UONOGXRCSA-N	391.435	2.071	0	1	GEAF	
COc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2nn(C)c(=O)cc2C)nc1	209443506	YHOVWNBNSUXSCF-ZBFHGGJFSA-N	393.447	2.440	0	1	GEAF	
Cn1nc(-c2ccccc2)cc1C(=O)N[C@H](CCC(=O)N1CCCCC1)C(=O)O	473151879	SADZWVPFPGZCGW-MRXNPFEDSA-N	398.463	2.063	0	1	GEAF	
CCOC(=O)c1ccc2nc(COc3ccc(S(N)(=O)=O)cc3C)[nH]c2c1	586929815	GHVDNNSXUMKPKE-UHFFFAOYSA-N	389.433	2.274	0	1	GEAF	
Oc1nc(O)c2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)[nH]c2n1	587017517	MUBWXPMRQNFVQB-UHFFFAOYSA-N	383.389	2.250	0	1	GEAF	
COC(=O)[C@H]1C[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)CN1C(=O)OC(C)(C)C	587394884	JVTTVXGPXJKEKT-JLTOFOAXSA-N	390.436	2.464	0	1	GEAF	
CC(=O)[C@@H]1C(=O)N2CCCc3cccc(c32)[C@@]12c1ccsc1CCN2C(N)=O	962700484	JQKDQHJTVJPMJF-UTKZUKDTSA-N	395.484	2.427	0	1	GEAF	
Cc1cc(C)c(S(=O)(=O)N2CCN([C@H]3CN4CCC3CC4)CC2)c(C)c1	1857561214	UYICITHOYJZKTN-IBGZPJMESA-N	377.554	2.012	0	1	GEAF	
C[C@]12CC[C@@H](O)[C@](C)(CO)[C@H]1CC[C@@H](O)[C@H]2CC(=O)NCc1ccc(F)cc1	2356644818	USQJMVUJYMEINF-ZKPRYKGHSA-N	393.499	2.379	0	1	GEAF	
COC(=O)[C@@H]1C[C@@]23C4=C(CC[C@@H]41)CC[C@H]1CN4C[C@@H](C)[C@@](O)(CC[C@@]12CO)[C@H]43	2356683932	HGIXVDMBHFEREO-BVFDIGRSSA-N	387.520	2.120	0	1	GEAF	
Cc1cc(=O)nc2c3ccccc3n(CC(=O)NCCCN3CCCC[C@@H]3C)n12	2947698	WNMUIXDPMGYNEQ-INIZCTEOSA-N	395.507	2.338	0	3	GEAF	
NS(=O)(=O)c1ccc([C@H](Nc2ncccn2)C(=O)c2ccc(F)cc2)cc1	13588959	DNEWXQXCFOLYTG-INIZCTEOSA-N	386.408	2.299	0	1	GEAF	
COc1ccc(CNC[C@@H](O)COc2cc(C)c3[nH]c(=O)ccc3c2)cc1OC	27192305	KOVDJGAKYFQOFX-QGZVFWFLSA-N	398.459	2.383	0	1	GEAF	
CCCCc1nc(Cl)c(Cc2nnn[nH]2)n1Cc1cccc(-c2nnn[nH]2)c1	28761622	WOVWCIQZFMCARM-UHFFFAOYSA-N	398.862	2.211	0	1	GEAF	
CC(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1c[nH]cn1	29571026	SHMNRPMWYIAENB-SFHVURJKSA-N	383.452	2.296	0	1	GEAF	
O=C(NCc1ccccc1)N[C@@H]1CO[C@@H]2[C@@H](OC(=O)Nc3ccccc3)CO[C@@H]21	36356586	VQBVRAQRFNRYIG-FCGDIQPGSA-N	397.431	2.269	0	1	GEAF	biogenic
Cn1c(=O)c2c(nc(SCc3ccc(Br)cc3)n2C)n(C)c1=O	84538197	WVALAYLVPWLNQN-UHFFFAOYSA-N	395.282	2.026	0	1	GEAF	
COc1ccc(Cc2nn(Cc3n[nH]c(=S)n3C)c(=O)c3c(C)noc23)cc1	84586943	IFYXHUCCIJQGBH-UHFFFAOYSA-N	398.448	2.132	0	1	GEAF	
O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1cccc([C@@H]2CCCN2)c1	217051424	PKWYZZNVHKRIOP-VXKWHMMOSA-N	379.504	2.260	0	1	GEAF	
CC1=CCC[C@@]2(C)O[C@@H]2[C@H]2OC(=O)[C@@H](Cn3cc(CCCCO)nn3)[C@@H]2CC1	254133069	SLZDIOMHJBBUNS-VDRZXAFZSA-N	389.496	2.429	0	1	GEAF	
COc1cccc(Nc2nccc(NC3CCN(S(C)(=O)=O)CC3)n2)c1	299834884	ZYHTVTLSCJQOAJ-UHFFFAOYSA-N	377.470	2.065	0	1	GEAF	
CCOC(=O)Cc1ccc2nc(-c3cc(CNS(C)(=O)=O)oc3C)[nH]c2c1	586945770	LVXSDWNZTQJKGL-UHFFFAOYSA-N	391.449	2.286	0	1	GEAF	
COC(=O)CC1(CC(=O)OC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	587596159	UWULKJUYIFUBIB-QGZVFWFLSA-N	386.356	2.219	0	1	GEAF	
COc1ccc(-n2cc(C(=O)N[C@@H](CO)Cc3ccccc3)cn2)cc1OC	621430199	LPGZRIVOVHRNTO-QGZVFWFLSA-N	381.432	2.223	0	1	GEAF	
Cc1cccc(NC(=O)C[C@@H]2[C@H](O)CC[C@@H]3[C@](C)(CO)[C@@H](O)CC[C@@]23C)n1	2356751325	SFFUMXVMFHXQRN-JBXXBSONSA-N	376.497	2.265	0	1	GEAF	
C1=CC(c2noc([C@@H]3CCCN3Cc3ccccn3)n2)=C[C](N2CCOCC2)N1	2356822770	FFWYRYSZIUAYCL-SFHVURJKSA-N	393.471	2.124	0	1	GEAF	
COc1ccc(C(=O)N2CC[C@@H]3NC(=O)N(c4ccc(F)cc4)C(=O)[C@@H]32)cc1	25412504	DSZZNNBZNOEDAV-DLBZAZTESA-N	383.379	2.174	0	1	GEAF	biogenic
CNC(=O)c1nn2c(c1O)C(=O)N(Cc1ccc(F)cc1)C[C@@H]2c1ccccc1	29129127	VWLSMIZBQYLVLE-MRXNPFEDSA-N	394.406	2.333	0	1	GEAF	
COc1cc(CNC(=O)c2oc(=O)n(Cc3ccccc3)c2O)cc(OC)c1	96273455	NZEYFQDJXZLUOH-UHFFFAOYSA-N	384.388	2.142	0	1	GEAF	
COc1ccc(Cn2cc(C(=O)NCCO)c(=O)c3c(F)ccc(F)c32)cc1	96906849	HNPZDYUMDVJAED-UHFFFAOYSA-N	388.370	2.059	0	1	GEAF	
COCCCNc1nc(-c2ccc(C(C)(C)O)nc2)cc2ncn(C)c(=O)c12	115622244	NBUAKISRDIVBJC-UHFFFAOYSA-N	383.452	2.066	0	1	GEAF	
COC(=O)[C@@H]1[C@@H](O)CC[C@H]2CN3[C@H](C(=O)O)Cc4c([nH]c5ccccc45)[C@@H]3C[C@H]12	238765524	FKDCWOOHMIPXRV-AMTPKYOQSA-N	398.459	2.100	0	1	GEAF	
CCOC(=O)c1ccc2nc([C@@](C)(N)c3ccc(S(=O)(=O)O)cc3)[nH]c2c1	586959584	RXLGBOHRZKHVNC-SFHVURJKSA-N	389.433	2.209	0	1	GEAF	
Nc1nc(O)c2nc(/C=C/c3cccc(I)c3)[nH]c2n1	587184416	SHBFQDKQGZBZMH-SNAWJCMRSA-N	379.161	2.416	0	1	GEAF	
CCOC(=O)CN1C(=O)[C@@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2ccccc21	587436223	OIQONNPWNDIFOT-IVZQSRNASA-N	393.395	2.248	0	1	GEAF	
C[C@@]1(CC(=O)N2CCOCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	587596681	SLMFJETYDXFGNV-NQIIRXRSSA-N	383.400	2.361	0	1	GEAF	
O=c1cc(-n2cc(Cn3cnc4c(Cl)ncnc43)nn2)c2ccccc2o1	1857617222	BCEFYBNIONQFFQ-UHFFFAOYSA-N	379.767	2.215	0	1	GEAF	
O=S(=O)(c1ccc2c(c1)OCO2)N1CC[C@@](O)(c2cccc(Cl)c2)C1	1857648753	ITKBOROPZOKGQN-KRWDZBQOSA-N	381.837	2.351	0	1	GEAF	
COc1ccc([C@]2(O)c3cc4c(cc3C(=O)[C@@](C)(O)[C@H]2C)OCO4)cc1OC	2356748605	KCRPLGSCZIUOOU-ZYWKYPLSSA-N	386.400	2.252	0	1	GEAF	
C[C@H]1COC[C@H](C)N1S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CCC1	201469294	CDGAYPGCWRMVFV-KBPBESRZSA-N	378.494	2.174	0	3	GEAF	
N=C(N)c1ccc(CNC(=O)C2=C(C(=O)NCCc3ccccc3)CCC2)cc1	13493943	RHUDLRFAAGWNEN-UHFFFAOYSA-N	390.487	2.426	0	1	GEAF	
COc1cc2c(cc1OC)[C@@]1(OC(=O)c3c(ccc(OC)c3O)C1=O)N(C)CC2	14768445	ZCYKZKHWXPZUDQ-NRFANRHFSA-N	399.399	2.112	0	1	GEAF	biogenic
Cc1cc(=O)n2nc(N3CCC[C@@H](C(=O)N[C@@H]4CCCC[C@H]4C)C3)sc2n1	15943642	AZWJXIVYDKJMKF-BPLDGKMQSA-N	389.525	2.371	0	1	GEAF	
CNC(=O)Nc1c(OC)c2c(c(OC)c1OCCN1CCCCC1)OCC2	29403311	TVYUIAOBFBNPLB-UHFFFAOYSA-N	379.457	2.255	0	1	GEAF	
C[C@@H]1CN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C[C@H]1CN	58543138	MHZSKKXOLCASLP-NXEZZACHSA-N	377.391	2.344	0	1	GEAF	
O=C([C@H]1[C@H](CO)[C@H]2Cn3c(cccc3=O)[C@H]2N1CC1CCCC1)N1CCCCC1	95880007	GUKOEQTWDQOVIJ-RPHTVSPISA-N	399.535	2.015	0	1	GEAF	
OC[C@H]1CCN(c2nccnc2OC2CN(c3ccc4ccccc4n3)C2)C1	96168718	MQVYXVOQZCEQOK-HNNXBMFYSA-N	377.448	2.111	0	1	GEAF	
COC(=O)[C@@H]1CCCN1C(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1	146254497	QSFMZLHLMBHVEL-HNNXBMFYSA-N	395.406	2.103	0	1	GEAF	
Nc1ccccc1C(=O)NCCN1CCN2Cc3[nH]c4ccccc4c3C[C@@H]2C1	169316185	WJUYRTWKWMESCK-MRXNPFEDSA-N	389.503	2.222	0	1	GEAF	
CN(C)C(=O)[C@@H]1CCc2nnc(CNC(=O)c3ccc(Cl)cc3Cl)n21	299852573	UVEJEYNXXYDLRE-LBPRGKRZSA-N	382.251	2.090	0	1	GEAF	
COC(=O)[C@@H]1C[C@]2(CC(=O)c3cc(C)cc(N)c3O2)CN1C(=O)OC(C)(C)C	587393647	JVTTVXGPXJKEKT-XOBRGWDASA-N	390.436	2.464	0	1	GEAF	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(COP(=O)(O)O)cnc(C)c1O)O2	587407490	IRDDPKCFXHPWAV-AWEZNQCLSA-N	394.320	2.302	0	1	GEAF	
COC(=O)C[C@]1(C(OC)OC)N[C@@H](C)Cc2cc(Br)c(F)cc21	587789776	DKSXAUOEURKQFE-FVMDXXJSSA-N	390.249	2.500	0	1	GEAF	
O=C1NC(=O)[C@]2(CC[C@@]34Cc5ccc(O)cc5[C@@]3(CCN(CC3CC3)C4)C2)N1	1772601673	QCIIDNPIIDWWMQ-BHDDXSALSA-N	381.476	2.050	0	1	GEAF	
CC1=C[C@H](CNS(C)(=O)=O)[C@@H](C(C)C)C[C@H]1CC(=O)NCc1cccnc1	2356309424	GGUYHWPHIPGSNH-IPMKNSEASA-N	393.553	2.492	0	1	GEAF	
C[C@]12CC[C@H](O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@]2(C)[C@H](C3=CC(=O)OC3)CC[C@]12O	2356427097	OIPRFQNNGWFTIU-QCGJWGEISA-N	388.504	2.495	0	1	GEAF	
Cc1cc(=O)oc2cc(OCCCN3CCN(c4ncccn4)CC3)ccc12	13486994	FUEJWMOQCYOKMY-UHFFFAOYSA-N	380.448	2.483	0	1	GEAF	
CCNC(=O)N1CCc2c(cnc(C)c2-c2noc([C@@H]3CCN(CC)C3)n2)C1	20138033	SLRDHTXXIYUOGJ-CQSZACIVSA-N	384.484	2.337	0	1	GEAF	
CCCc1cc(=O)[nH]c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1	26178116	BRNAJLABAKUJIG-UHFFFAOYSA-N	388.431	2.385	0	1	GEAF	
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CC[C@@H]([C@@H](C)N)C3)c(OC)c21	27997793	KGBAGNYTHSMCRZ-GHMZBOCLSA-N	377.416	2.041	0	1	GEAF	
Cn1nc(-c2ccc(S(C)(=O)=O)cc2)s/c1=N\c1cccc(C(=O)O)c1	28372627	KXBWQIVURGRGEI-ZCXUNETKSA-N	389.458	2.483	0	1	GEAF	
CCCCSc1nc(N)c2[nH]c(=O)c(=O)n(Cc3ccc(F)cc3)c2n1	40873049	IENZSQLHFFKROY-UHFFFAOYSA-N	375.429	2.142	0	1	GEAF	
COc1cc2ncc(CN3CCN(c4ccccc4OC)CC3)n2c(OC)n1	43068101	YFURKEXOOXLGEN-UHFFFAOYSA-N	383.452	2.077	0	1	GEAF	
CCN(CC)CC(=O)Nc1c(C)cc([C@](O)(C(N)=O)c2ccccc2)cc1C	45390289	OTAWEBYUJCMPKA-QFIPXVFZSA-N	383.492	2.305	0	1	GEAF	
COc1cccc(COC[C@@H]2COCS(=O)(=O)N2Cc2ccccc2)c1	58591784	HOUQBRXBVLVCNN-GOSISDBHSA-N	377.462	2.400	0	1	GEAF	
COc1ccc(CNc2nc(N3CCC[C@H](C(N)=O)C3)ncc2C)cc1OC	82204319	RRDOUBMNTAYOJL-HNNXBMFYSA-N	385.468	2.116	0	1	GEAF	
CC(=O)N1N=C(c2ccc(-n3nc(C)n(N)c3=O)cc2)C[C@@H]1c1ccc(C)cc1	103220480	ZWBKTACZWQWGQI-HXUWFJFHSA-N	390.447	2.062	0	1	GEAF	
CCc1nn(C)c2c1CN(c1ncnn3c(C)nc(C4CCOCC4)c13)CC2	169711740	CKAPKQAWQTZREY-UHFFFAOYSA-N	381.484	2.185	0	1	GEAF	
CN(C)S(=O)(=O)c1ccc(OCc2nc3cc(C(=O)O)c(F)cc3[nH]2)cc1	586931350	ARYZKPRUHJYOMW-UHFFFAOYSA-N	393.396	2.230	0	1	GEAF	
NS(=O)(=O)c1cccc2nc(Cn3nc(C(F)(F)F)cc3C3CC3)[nH]c12	587119958	ZZXUAUHKSNMDAV-UHFFFAOYSA-N	385.371	2.351	0	1	GEAF	
CCOC(=O)C1=CN(C2CC2)C(=O)C[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3	587440992	CMIOPJNFKQQCPG-SZNDQCEHSA-N	383.400	2.023	0	1	GEAF	
O=C1[C@@H]2Cc3nc[nH]c3[C@](c3ccc(F)c(F)c3)(C3CC3)N2C(=O)[C@@H]2CCCN12	963209095	VTFPUMIIGIPXED-XGHQBKJUSA-N	398.413	2.099	0	1	GEAF	
C[C@@H](N=c1nc(-c2cccc(C(F)(F)F)n2)[nH]c(=N[C@@H]2CCOC2)[nH]1)C1CC1	1857655337	RWSYXAQFFAQAEC-ZYHUDNBSSA-N	394.401	2.207	0	1	GEAF	
COC(=O)[C@H]1[C@H]2C[C@@H]3[C@H]4Nc5cccc(OC)c5[C@H]4CCN3C[C@H]2CC[C@H]1O	2356780425	WHOUHQRGRVIKFB-WMLAPBGGSA-N	386.492	2.227	0	1	GEAF	
Cc1cc(OCC(=O)O)c(C)c2c1CC[C@H]([C@@H](C)C(=O)N1CCOCC1)C2	25206843	VFMGMPWZEVOXRA-ZBFHGGJFSA-N	375.465	2.367	0	1	GEAF	biogenic
CC(=O)c1cn(C)c2cc(N3CCN(c4ccccn4)CC3)c(N)cc2c1=O	40866529	WLJGVUHGGMEATA-UHFFFAOYSA-N	377.448	2.045	0	1	GEAF	
CCCCn1nc(-c2nc3ccccc3s2)nc2c(=O)n(CC)c(=O)nc1-2	49784931	IBLXRLVHYKSNTO-UHFFFAOYSA-N	382.449	2.397	0	1	GEAF	
CC1(C)CC(=O)N(CC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1=O	72124553	PRFNGWSZLCZUNS-UHFFFAOYSA-N	397.397	2.139	0	1	GEAF	
NC(=O)[C@H]1CCCN(c2ncc(C(=O)N3CCCC3)c(-c3ccccc3)n2)C1	82133064	PUXGDRWLBHYNCP-INIZCTEOSA-N	379.464	2.081	0	1	GEAF	
CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@H](C)NC[C@@H]1C	95679878	CWLHXXSWRNJMCP-NJSLBKSFSA-N	389.496	2.129	0	1	GEAF	
CCCN1[C@@H]2c3cccc(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)N[C@@H](C)c1ccccc1	95794322	YIELOQINJAINDP-LFAMGNCKSA-N	395.503	2.099	0	1	GEAF	
CCCNC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@@H]2N1CC	95879688	UMPWYUPDGANVQN-MMKMLUHNSA-N	395.503	2.025	0	1	GEAF	
O=c1n(CCCN2CCN(c3cccc(Cl)c3)CC2)c(O)c2n1CCC2	169714883	DYWYXBNPBBDJJK-UHFFFAOYSA-N	376.888	2.167	0	1	GEAF	
COc1c2c(cc3c1OCO3)[C@H]1[C@H](c3ccc4c(c3CN1C)OCO4)[C@H](O)C2	238734111	VVBOWTYRWIESFW-OLMNPRSZSA-N	383.400	2.340	0	1	GEAF	
O=C(CNC(=O)c1ccccc1)NN1C(=O)CS[C@H]1c1cccc(Cl)c1	299837271	OGXWBDVNSZSINE-SFHVURJKSA-N	389.864	2.375	0	1	GEAF	
CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2cccc(S(N)(=O)=O)c2[nH]1	586962834	HXXZZPLPVBGUPM-SNVBAGLBSA-N	379.467	2.258	0	1	GEAF	
CC1=C[C@]2(CC(=O)N1Cc1cccnc1)N[C@H](C(=O)O)Cc1cc(F)ccc12	962898104	MEHTVCKZZRKSCN-GHTZIAJQSA-N	381.407	2.351	0	1	GEAF	
Cn1nc(-c2cnc(N)c(-n3nnc4ccccc43)n2)nc1Cc1ccccc1	1772652420	ORSLKVIRGRVLGJ-UHFFFAOYSA-N	383.419	2.179	0	1	GEAF	
NCc1cc(=O)n(C2CC2)c2c(OC(F)F)c(N3C[C@@H]4C[C@]4(N)C3)c(F)cc12	1911584918	WBQPBOQTMQMNTC-OVWNDWIMSA-N	394.397	2.073	0	1	GEAF	
COC(=O)[C@]1(O)C(=O)c2c(O)cccc2C12Oc1cccc3cccc(c13)O2	2356734345	ILTAFHSQIBJTEW-HXUWFJFHSA-N	378.336	2.270	0	1	GEAF	
CC1(C)[C@H](O)[C@H](O)C=C2C[C@@](CC(=O)c3cc(O)ccc3O)(C(=O)O)CC[C@H]21	2356865834	VLKMPIWFTPSHEP-OQBJRAFVSA-N	390.432	2.230	0	1	GEAF	
CC(C)OC(=O)[C@H]1[C@H](c2cccnc2)[C@@H](C(=O)OC(C)C)C(=O)C[C@@]1(C)O	1240436	OYCVZZUSJGVKGK-AXVVYFOYSA-N	377.437	2.025	0	1	GEAF	
CC(=O)NCc1cccc(-c2csc(NC(=N)NCCc3c[nH]cn3)n2)c1	26973523	JWJOCEWZTWHRTC-UHFFFAOYSA-N	383.481	2.348	0	1	GEAF	
Cc1ccc(-c2nc(C(=O)N[C@H](C(=O)N3CCCNCC3)C(C)C)co2)cc1	82070134	KEPMTBLZZWGHCZ-SFHVURJKSA-N	384.480	2.226	0	1	GEAF	
C/C=C/c1ccc([C@H]2[C@@H](CO)N[C@H]2CN(C)S(=O)(=O)c2ccccc2)cc1	95895557	NETWDHXXCLOVFS-FNOOTYBYSA-N	386.517	2.457	0	1	GEAF	
CN(C)CCCNC1=C2C(=N[C@@H]3C=CC(C(=O)O)=C[C@H]23)N(C)c2ccccc21	103165876	HGPMOFFVHNVOOV-DLBZAZTESA-N	378.476	2.367	0	1	GEAF	
Cn1c(=O)c2c(nc3n2CCCN3c2ccc(Cl)c(Cl)c2)n(C)c1=O	103249935	RJKUSJUUVVMMMY-UHFFFAOYSA-N	380.235	2.282	0	1	GEAF	
C[C@](O)(COc1ccc(F)cc1)C(=O)Nc1ccc([N+](=O)[O-])c2nonc12	141371149	YXAPCBDNSJANRQ-INIZCTEOSA-N	376.300	2.039	0	1	GEAF	
N=c1[nH]cc2nc(CCC[S@@](=O)c3ccc(Br)cc3)nc-2[nH]1	586960222	NFOJOQCXMOXFBE-JOCHJYFZSA-N	380.271	2.220	0	1	GEAF	
COC(=O)[C@@H]1N(C(=O)OC(C)(C)C)CC[C@@]12CC(=O)c1cc(C)cc(N)c1O2	587397321	ZTRKZEAVINCCJO-OXJNMPFZSA-N	390.436	2.464	0	1	GEAF	
CCCc1c(O)ccc2c1O[C@]1(CC=Cn3c1ncc(C(=O)O)c3=O)CC2=O	587487914	YTMOJWOJDHMEQL-HXUWFJFHSA-N	382.372	2.335	0	1	GEAF	
Cn1cc(-c2cc3c(-c4cc(N5CC[C@@H](CO)C5)ncn4)n[nH]c3cc2F)cn1	1772584665	AYWKZRJOXLXQLX-GFCCVEGCSA-N	393.426	2.378	0	1	GEAF	
CC(=O)O[C@]1(C)CC[C@H](C(C)C)[C@H]2[C@H]1[C@@H]1C[C@](C)(O)[C@H](O)CC[C@](C)(O)[C@@H]2O1	2356383389	LGVNICNVBLDNFV-HKFHRBGASA-N	398.540	2.421	0	1	GEAF	
COc1cc2c(cc1OC)[C@]13CN4CC5=CCCO[C@@H]6CC(=O)N2[C@H]1[C@@H]6[C@H]5C[C@H]43	2356724880	BXGUWCVZAVIITQ-IULUHUBYSA-N	394.471	2.110	0	1	GEAF	
COc1cccc(C(=O)C(=O)N2CCN(C(=O)OCc3ccccc3)CC2)c1	95600426	QTYLQYRBIURWPO-UHFFFAOYSA-N	382.416	2.359	0	3	GEAF	
CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](CC(=O)NC2CCCC2)C(C)C)cc1	2500205	TXIGDTDDGLBULH-SFHVURJKSA-N	395.525	2.397	0	1	GEAF	
COc1cc2c(cc1OS(N)(=O)=O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12	3975452	RWIXFHUXVURZCZ-SSTWWWIQSA-N	381.494	2.495	0	1	GEAF	in-vitro
Cc1cccc(N2CCN(C(=O)CNS(=O)(=O)c3cccs3)C[C@@H]2C)c1	4734407	YBFUEVPEQFTUHX-HNNXBMFYSA-N	393.534	2.072	0	1	GEAF	
COc1ccccc1N1CCN(CCc2ccc3c(c2)OCC(=O)N3C)CC1	13779689	ZVSMANBKDHUTOV-UHFFFAOYSA-N	381.476	2.415	0	1	GEAF	
CCN1CCC[C@@H]1CNC(=O)c1c(O)c(OC)cc(Br)c1OC	34343068	UFZPFNGITSAOBL-SNVBAGLBSA-N	387.274	2.386	0	1	GEAF	
CCOP(=O)(OCC)OCCCCN1C(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C1=O	72181060	DQIKCIJVPFQJPF-KPWCQOOUSA-N	375.358	2.127	0	1	GEAF	
COc1ccc2c3c([nH]c2c1)[C@H](CO)NCC31CCN(C(=O)C2CCC2)CC1	95666000	NWJGYUHTECQHII-SFHVURJKSA-N	383.492	2.473	0	1	GEAF	
Cc1noc(C)c1Cn1cc(N2C(=O)CN(Cc3ccccc3C#N)C2=O)cn1	115731418	CBCVXSCCJFRHQZ-UHFFFAOYSA-N	390.403	2.377	0	1	GEAF	
COc1ccc(-c2cc3c(C)nc(N)nc3n(CC3(F)CCOCC3)c2=O)cn1	117698700	MFBJHDCFUUVEIB-UHFFFAOYSA-N	399.426	2.271	0	1	GEAF	
Cc1onc(-c2ccncc2)c1COc1ccc(C(=O)N2CCOCC2)cn1	141722099	CWKQXLGCXDSRQC-UHFFFAOYSA-N	380.404	2.491	0	1	GEAF	
Cc1ccc(C(=O)COC(=O)[C@H](C)N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)cc1C	169301228	KLTXDFMSUAOPBW-FVNRHKFKSA-N	381.428	2.225	0	1	GEAF	
COC(=O)[C@@H]1C[C@@]23C4=C(CC[C@@H]5CN6C[C@@H](C)[C@@H](C[C@@H](O)[C@@]52C)[C@]63O)CC[C@@H]41	238780006	VSUPHZOFQVOSCQ-VGGVDKAASA-N	387.520	2.323	0	1	GEAF	
O=C(CNC(=O)c1ccccc1)NN1C(=O)CS[C@H]1c1ccccc1Cl	299841472	ZYXCZVOBYHZGJK-SFHVURJKSA-N	389.864	2.375	0	1	GEAF	
CC(=O)N[C@@H](Cc1nc2cnnc(O)c2[nH]1)c1ccc(Br)cc1	586986676	ZKJWAINFVAVISD-NSHDSACASA-N	376.214	2.241	0	1	GEAF	
CC(C)(C)OC(=O)N[C@]1(c2nc3c[nH]c(=N)[nH]c-3n2)[C@H]2CCCO[C@@H]2C1(C)C	587240849	YATZVYSHAUXDSX-DKHZXNSXSA-N	388.472	2.272	0	1	GEAF	
CCOC(=O)c1cnn2cc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cnc12	587436487	PWLREPSMJVOPHZ-ACJLOTCBSA-N	379.372	2.403	0	1	GEAF	
COC(=O)c1c(CC(=O)O)[nH]c([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C	587438452	OFTRATOGWNXFOT-XUSGNXJCSA-N	399.399	2.408	0	1	GEAF	
CO[C@H]1O[C@@H](O)[C@@H]2C(C)(C)CC[C@@H]3OC(=O)[C@@]45C[C@H](CC[C@H]4[C@@]312)[C@@H](C)C5=O	653722049	QZIYJYMZUWBXJX-IDTJGZHJSA-N	378.465	2.277	0	1	GEAF	
O=C(Cc1ccc(Cl)c(Cl)c1)N1CCO[C@@H]2CNC[C@@H](N3CCCC3)[C@H]21	1857755667	JMSHYBARLFGBPR-ZHALLVOQSA-N	398.334	2.200	0	1	GEAF	
C[C@]1(C(=O)NS(=O)(=O)c2cccc(F)c2)CCN1C(=O)CC1CCCC1	61902664	APHFAZUHNJVBHQ-GOSISDBHSA-N	382.457	2.202	0	3	GEAF	
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CC[C@]4(CCNC4)C3)c(F)c21	5848095	NVVIXKGACSGLKH-IBGZPJMESA-N	377.391	2.188	0	1	GEAF	
COCC[C@](O)(C(=O)O[C@@H]1CN2CCC1CC2)c1ccc(Br)cc1	13650143	ZOZWUVWBBRZFQH-SJLPKXTDSA-N	398.297	2.311	0	1	GEAF	
CCCCn1cc([C@]2(c3cccc(-c4cncnc4)c3)N=C(N)N(C)C2=O)cn1	34803427	CRGYAUNBGVFARQ-NRFANRHFSA-N	389.463	2.171	0	1	GEAF	
Nc1ccccc1-c1nnc(C(=O)NCc2ccccc2N2CCOCC2)o1	43012823	NETWUXPBBNFJPR-UHFFFAOYSA-N	379.420	2.085	0	1	GEAF	
COC(=O)N1c2ccccc2[C@]23CCN4C(=O)C=C[C@]45CC[C@]12[C@@H](C5)C(=O)O3	72108451	STACHDUHGOCYFP-RKTMXUFFSA-N	380.400	2.105	0	1	GEAF	
O=C(N[C@H](CO)COCc1ccccc1)c1coc(-c2ccc3c(c2)OCO3)n1	82085886	UFLHQJXKCHKOLU-MRXNPFEDSA-N	396.399	2.378	0	1	GEAF	
CSCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2[nH]c1=O	95596841	RIPDCFPJCGHFPL-UHFFFAOYSA-N	387.436	2.451	0	1	GEAF	
CNCc1cn(S(=O)(=O)c2cncc(C)c2)c(-c2cccnc2F)c1F	117248753	RRNOUVKWQZAFNI-UHFFFAOYSA-N	378.404	2.488	0	1	GEAF	
O=C(O)Cn1nnc(-c2cnc(N3CCC4(CCc5ccccc54)CC3)s2)n1	200039280	BCUKQYKXRHIXRD-UHFFFAOYSA-N	396.476	2.366	0	1	GEAF	
C[C@H]1CCCC=C[C@@H]2C[C@H](OC(=O)CCC(=O)O)C[C@H]2[C@H](O)C=CC(=O)O1	253636065	IXNGCUAZCXPKBG-DMRKSPOLSA-N	380.437	2.378	0	1	GEAF	
CNc1c(F)cccc1-c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1	587135980	UPIJXOFBVXUVHC-UHFFFAOYSA-N	397.454	2.161	0	1	GEAF	
CCOC(=O)C[C@H](C(=O)OCC)[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	587442514	PIGWDILFJCUIHP-JZKQVHKSSA-N	376.405	2.334	0	1	GEAF	
C[C@H]1CC(=O)N(CC(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)C1=O	653719128	WWZQALHAUXSIRS-NSHDSACASA-N	384.263	2.037	0	1	GEAF	
C[C@]12CC[C@@H](O)[C@](C)(CO)[C@H]1CC[C@H](O)[C@H]2CC(=O)NCc1ccccc1	2356321562	BBWGJBKNBIHRGJ-UQXDBHSJSA-N	375.509	2.240	0	1	GEAF	
CCOc1cccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCCOCCO)c1	4049470	DYUDSNKGZBJWIW-FPOVZHCZSA-N	398.459	2.302	0	1	GEAF	
Cc1c(N2CC[C@@](CN)(CF)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12	6520893	SBXRBFOMPHFVMJ-FQEVSTJZSA-N	391.418	2.447	0	1	GEAF	
Cc1c(N2CC[C@](CN)(CF)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12	6520940	SBXRBFOMPHFVMJ-HXUWFJFHSA-N	391.418	2.447	0	1	GEAF	
COc1cc(C[C@H](CO)[C@@H](CO)Cc2ccc3c(c2)OCO3)cc2c1OCO2	13480444	IUWDYVPWRWCWQD-HZPDHXFCSA-N	388.416	2.155	0	1	GEAF	biogenic,in-vitro
CCCNC(=O)N1N=C(c2cccc(N)c2)c2cc3c(cc2CC1=O)OCO3	27431664	JLNWKGFWCULXFB-UHFFFAOYSA-N	380.404	2.254	0	1	GEAF	
O=C1c2cc3nnn(CCc4cccc(F)c4)c(=O)c3cc2O[C@H]2CCCN12	72128495	ONBBOILQQRZSPM-SFHVURJKSA-N	380.379	2.128	0	1	GEAF	
NCCOC(=O)[C@@H](Cc1ccccc1)NC(=O)c1coc(-c2cccs2)n1	82080899	SVHGRHHMMBONMM-CQSZACIVSA-N	385.445	2.246	0	1	GEAF	
COc1cc2nc(N3CCCC3)nc(N[C@H]3CCCCNC3=O)c2cc1OC	82130069	JOJQWUPOPWZHEL-AWEZNQCLSA-N	385.468	2.328	0	1	GEAF	
Cn1cc(-c2ccc3c(c2)N(C2=N[C@H]4CC(C)(C)NC(=O)[C@H]4S2)CCO3)cn1	95564457	JYDJBPGMWFAOJP-YOEHRIQHSA-N	397.504	2.424	0	1	GEAF	
O=C(Nc1ccccc1F)N[C@@H]1C=C[C@@H](CC(=O)N2CCCCC2)O[C@@H]1CO	95906443	DLOREXMLRXXTRO-BMGDILEWSA-N	391.443	2.034	0	1	GEAF	
O=C(CN1CCN(Cc2ccccc2)CC1)N[C@H]1c2cn[nH]c2-c2sccc21	103300489	KWXRZCJBVNGGSK-LJQANCHMSA-N	393.516	2.475	0	1	GEAF	
CCOC(=O)Cc1c(C(=O)OCC)[n+](=O)c2cc(Cl)c(Cl)cc2n1O	139305440	ICLKKOYIDAZMCQ-UHFFFAOYSA-N	390.199	2.382	0	1	GEAF	
NC(=O)c1ccc(NC[C@@]2(C(=O)Nc3ccccc3)CCNC2)c2cccnc12	143705671	STHYEXZXVZBDIN-JOCHJYFZSA-N	389.459	2.364	0	1	GEAF	
CC(=O)N1CCC(Nc2cc(N(C)Cc3ccccc3)nn3c(C)nnc23)CC1	146630470	SNNVFIMDPIRJNN-UHFFFAOYSA-N	393.495	2.492	0	1	GEAF	
COC(=O)[C@@]1(C)N[C@H](c2ccc(OC)cc2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21	169355610	OMQWKBLGWQPJBD-IDVKNYFZSA-N	394.427	2.077	0	1	GEAF	
O=C(O[C@]12[C@@H]3[C@H]4C[C@@H]5[C@@H]3[C@]3(OCCCN31)[C@H]1[C@H]5[C@@H]4[C@H]12)c1n[nH]c2ccccc12	299806719	NKBYXRWOKPTCIZ-BXGNUWOMSA-N	375.428	2.236	0	1	GEAF	
CCS(=O)(=O)c1ccc2[nH]c(-c3cc(S(=O)(=O)NC(C)C)c[nH]3)nc2c1	586935981	LPTWLRGJGTXJFE-UHFFFAOYSA-N	396.494	2.038	0	1	GEAF	
COc1cc2c3c(c1)O[C@@H]([C@H]1CN(C(=O)OC(C)(C)C)CCO1)[C@@H](C2)C3=O	587437826	LOICRCNEGXTLPS-JCKWVBRZSA-N	375.421	2.447	0	1	GEAF	
O=C(Nc1ccc(F)cc1F)c1c(NCc2ccccc2)nc(O)n(O)c1=O	1772652747	NXKDLCNPMYGIHJ-UHFFFAOYSA-N	388.330	2.329	0	1	GEAF	
COc1cccc(N2C(=N)NC(=N)NC23CCN(C(=O)OC(C)(C)C)CC3)c1	1857629277	RZTUCFAGMFJCFR-UHFFFAOYSA-N	388.472	2.291	0	1	GEAF	
CC=C(C)C(=O)O[C@@H]1CC[C@]2(O)C[C@]3(OC)OC(=O)C(C)=C3[C@H](O)[C@]2(C)[C@H]1C	2356445408	ATTRXTZPTLILCG-GTWVLEOYSA-N	394.464	2.012	0	1	GEAF	
C=c1cc2c(o1)=C[C@@H]1[C@H]([C@H](O)C[C@]3(O)C(C)(C)CC[C@H](OC(C)=O)[C@@]13C)[C@H]2C	2356459975	GKDZFZCQXJRZKI-MKHKVNGJSA-N	388.504	2.074	0	1	GEAF	
COc1cc2c(cc1OC)[C@@H](O)[C@H]1COC(=O)[C@H]1[C@H]2c1ccc2c(c1)OCO2	2356553806	DUQMFJLPYJQVDV-YGHPHNMRSA-N	384.384	2.401	0	1	GEAF	
CN1CCN(c2ccc(-c3csc(N4CCC(C(N)=O)CC4)n3)cc2)CC1	36381459	UZSQRUFNJFUHKS-UHFFFAOYSA-N	385.537	2.264	0	3	GEAF	
CCCS(=O)(=O)NC(=O)[C@@]1(C)CCN(C(=O)c2oc3ccccc3c2C)C1	61927057	GUPYMJZVOWHFNY-IBGZPJMESA-N	392.477	2.449	0	3	GEAF	
CCOC(=O)N(C)[C@H]1C[C@H]2c3[nH]c4ccccc4c3CCN2C(=O)[C@H]1[C@H](C)O	199737262	XODUNGSLDDZRCD-JUKXBJQTSA-N	385.464	2.451	0	3	GEAF	
Cc1ccc(NC(=O)[C@H]2[C@H]3C=C[C@@]4(CN(Cc5cccnc5)C(=O)[C@H]24)O3)cc1F	251154578	MHLHARLAZLJYDT-GHDARCQNSA-N	393.418	2.450	0	3	GEAF	
CN1C[C@@H]2C[C@H]1CN2c1c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c2c1F	13649283	ITXLERDKFZOJPO-QWRGUYRKSA-N	375.375	2.206	0	1	GEAF	
C[C@@H](CCCN1C(=O)CC2(CCCC2)CC1=O)N1CCN(c2ncccn2)CC1	29414339	FUVACMNUGRWVAV-SFHVURJKSA-N	399.539	2.477	0	1	GEAF	
C[C@@H]1NCCn2cc(-c3nc4c(cc3F)C(=O)[C@H](C(=O)O)CN4C3CC3)cc21	45290128	KDMBUIROFLUEEN-IINYFYTJSA-N	384.411	2.219	0	1	GEAF	
CC(C)c1cn(CC[C@H]2CC[C@@H](NC(=O)c3cccc(F)c3)[C@@H](CO)O2)nn1	95675297	QKYXERGZTDIPLJ-ZHALLVOQSA-N	390.459	2.269	0	1	GEAF	
Cc1ncc2c(n1)[C@@H]1Oc3c(O)ccc4c3[C@]13CCN(CC1CC1)[C@H](C4)[C@]3(O)C2	101362233	TXYHVHRAQHKCHR-FJTGNWTPSA-N	391.471	2.190	0	1	GEAF	
N=C1CCC(Cl)=C(CC(=O)NCc2cc(Cl)ccc2-n2cnnn2)N1O	169721821	SPTSWAFFHYNJOB-UHFFFAOYSA-N	396.238	2.235	0	1	GEAF	
COC1CCN(c2nccc(Nc3cc4nc(-c5cn[nH]c5)[nH]c4cn3)n2)CC1	219083123	CBLSWPLVIPVELR-UHFFFAOYSA-N	391.439	2.497	0	1	GEAF	in-vitro
N[C@@H]1NC=Nc2c(CN3C[C@H](CSc4cccc(Cl)c4)[C@@H](O)C3)c[nH]c21	261072682	AJIYTACJJDEROQ-HNJNHCNJSA-N	391.928	2.473	0	1	GEAF	
COc1cccc2cc3c(nc12)[C@@](C)(c1ccc(-[n+]2cc(=O)o[nH]2)cc1)NCC3	963052962	HRNDYYMROCUMOH-JOCHJYFZSA-O	389.435	2.211	0	1	GEAF	
CC(C)[C@@H](CN1CCC(F)(F)CC1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1	1857629461	STLNXVRPKQNRJS-QZTJIDSGSA-N	381.467	2.278	0	1	GEAF	
CCOC(=O)N1CCC(N2CCN(Cc3ccccc3)[C@@H](CCO)C2)CC1	19794818	CPLCPMLKMRDBFS-FQEVSTJZSA-N	375.513	2.176	0	3	GEAF	
CCN(CC)C(=O)Cn1cnc2sc(C(=O)N3CCCCC3)c(C)c2c1=O	2500408	ABKKLOSLNUMADI-UHFFFAOYSA-N	390.509	2.261	0	1	GEAF	
COc1cc(-c2oc3c(OC)c(O)c(OC)c(O)c3c(=O)c2O)ccc1O	15271752	LCKHNFJHVWUHTR-UHFFFAOYSA-N	376.317	2.308	0	1	GEAF	endogenous,in-man
Cc1cc(=O)n2nc(N3CCC[C@@H](C(=O)N[C@H]4CCCC[C@@H]4C)C3)sc2n1	15943640	AZWJXIVYDKJMKF-CFVMTHIKSA-N	389.525	2.371	0	1	GEAF	
NS(=O)(=O)c1ccc(CNCc2cc(=O)oc3cc(Cl)ccc23)cc1	27739227	JWMIBMZGDWATEL-UHFFFAOYSA-N	378.837	2.384	0	1	GEAF	
O=C(Nc1ccc(N2CCOCC2)nc1)c1nnc(Nc2ccccc2F)o1	38224966	DNICZDPKEHIHNE-UHFFFAOYSA-N	384.371	2.436	0	1	GEAF	
c1ccc(CN2CCN(c3nc4nonc4nc3N3CCCCCC3)CC2)nc1	39542160	UWQNVTLITCHMDP-UHFFFAOYSA-N	394.483	2.110	0	1	GEAF	
NC[C@@H]1CCCN(c2c(F)c(N)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C1	40467024	GZBLJWROJIKOSA-VIFPVBQESA-N	392.406	2.070	0	1	GEAF	
COc1cc(OC)cc(-c2nc(C(=O)N3CCC[C@@H](C(N)=O)C3)cs2)c1	82081383	YXZYKQJFBSJGMT-LLVKDONJSA-N	375.450	2.165	0	1	GEAF	
Cn1nc(-c2cnc3[nH]cc(C(=O)N[C@]4(C)C[C@@H](N)C4)c3n2)c2ccc(F)cc21	101671212	BUMHWUDGGPIPAG-IYVRIMFBSA-N	393.426	2.260	0	1	GEAF	
COc1ccn(-c2cc(N3CC(c4nc5ccccc5n4C)C3)nc(C)n2)n1	143069780	JEUPXKGTRVHMKD-UHFFFAOYSA-N	375.436	2.470	0	1	GEAF	
CC[C@@]12C[C@@H](C(=O)OC)C3=Nc4cc(OC)ccc4[C@@]34CCN(CCOC1=O)[C@H]24	169352314	LYQOBPCMGRGFKT-RUEPJGNKSA-N	398.459	2.240	0	1	GEAF	
CC(C)n1cc(C(=O)c2cncc(NC(=O)c3ncn[nH]3)c2)c2cncnc21	221757496	VWWKFGLZLAVWOW-UHFFFAOYSA-N	376.380	2.009	0	1	GEAF	
CC(=O)Oc1ccccc1C(=O)O[C@]12[C@@H]3[C@H]4C[C@@H]5[C@@H]3[C@]3(OCCCN31)[C@@H]1[C@H]5[C@@H]4[C@H]12	253652165	WHDRGMZULYIHPP-MBSCPHCOSA-N	393.439	2.285	0	1	GEAF	
CCCCNS(=O)(=O)c1ccc2[nH]c(-c3c(N)cncc3OC)nc2c1	587254099	LPULYZROUGKIHL-UHFFFAOYSA-N	375.454	2.294	0	1	GEAF	
O=c1c2cc(Cl)ccc2cnn1-c1ccc(S(=O)(=O)N2CCCC2)cn1	587653443	AECUKRRWKCYCHR-UHFFFAOYSA-N	390.852	2.219	0	1	GEAF	
COc1ccc(CN[C@@H]2[C@H](c3ccc(C(F)(F)F)nc3)C[C@@H](O)[C@@H]2O)cc1	2356670230	FZIMBKXTHCNMFS-IDCNUPLLSA-N	382.382	2.477	0	1	GEAF	
COc1cccc(OC)c1OCCNC[C@@H]1C[S@@](=O)c2ccccc2O1	26384747	MGSNEVZKZMAVOH-PTFIGZPYSA-N	377.462	2.241	0	1	GEAF	
CC(C)(C)c1cc(NC(=O)N2CCCN(C(=O)[C@@H]3CCCOC3)CC2)no1	71318880	XETLDNBDDCFPRP-CQSZACIVSA-N	378.473	2.465	0	1	GEAF	
COc1ccc([C@H]2COc3c(OC)c(OC)c(OC)c(O)c3C2=O)cc1N	73240717	SDRKSQBSORLAKL-SNVBAGLBSA-N	375.377	2.368	0	1	GEAF	
CN(CC(=O)N1CCCNCC1)C(=O)c1coc(-c2ccc3ccccc3c2)n1	82085752	AKGWKTHPNCQZLH-UHFFFAOYSA-N	392.459	2.389	0	1	GEAF	
C/C=C/c1ccc2c(c1)O[C@H](CN(C)C)[C@H](C)CN([C@H](C)CO)S2(=O)=O	95711445	KDXLDHVMUOGHJB-PKARVDPGSA-N	382.526	2.050	0	1	GEAF	
C/C=C/c1ccc([C@H]2[C@@H](CNC(C)=O)N(C(=O)Cc3ccncc3)[C@H]2CO)cc1	95895412	XZLFCFHMTBWLEL-GWODHLHCSA-N	393.487	2.149	0	1	GEAF	
COC(=O)CC[C@]1(C(=O)OC)N[C@@H](C)Cc2ccc(F)c(Br)c21	587809343	REKQMGOHFNKUJC-FVMDXXJSSA-N	388.233	2.444	0	1	GEAF	
COc1ccc(-c2nnc3c(NCCN4CCOCC4)cccn23)cc1OC	653852948	UFLFWXBYLDXYNM-UHFFFAOYSA-N	383.452	2.158	0	1	GEAF	
C[C@H]1C=C[C@H]2CN(NC(=O)OCc3ccccc3)C(=O)[C@@H]2[C@@H]1C(=O)N1CCCC1	653873804	NTCKTKCLFLUGSW-KANFNMMFSA-N	397.475	2.347	0	1	GEAF	
CC(=O)[C@H](Sc1ncccn1)[C@@]1(C)N[C@H](C(=O)O)Cc2cc(F)ccc21	962897315	MERQNJHRYTYMBY-MPGHIAIKSA-N	375.425	2.180	0	1	GEAF	
Cn1ncc2c(NCCCn3cnnc3)nc(Nc3ccc(F)c(F)c3)nc21	1772650050	LLCZKVSBPBLJDH-UHFFFAOYSA-N	385.382	2.479	0	1	GEAF	
CS(=O)(=O)N1CCCN(c2ccn3cc(-c4ccc(F)cc4)nc3n2)CC1	1857572518	SZQJZMOFSSRJPD-UHFFFAOYSA-N	389.456	2.007	0	1	GEAF	
CCOC(=O)Cn1ccc2cc(NC(=O)c3ccc(C(=N)N)cc3)ccc2c1=O	27551896	USTHEJCUSBWWTR-UHFFFAOYSA-N	392.415	2.101	0	1	GEAF	
CCOC(=O)c1ncn2c1Cn1ncnc1-c1cc(NC(=O)C(C)C)ccc1-2	38224910	QHCZCPVJBQYFPX-UHFFFAOYSA-N	380.408	2.264	0	1	GEAF	
N[C@H](CCc1ccccc1)[P@](=O)(O)C[C@H](Nc1ccc(CO)cc1)C(=O)O	40753026	LEMGWCKUERHQMH-ROUUACIJSA-N	392.392	2.232	0	1	GEAF	
COc1cccc2c1CC[C@@H]1CN(CCn3c(=O)[nH]c4ccsc4c3=O)C[C@H]21	95561263	CAEZRWQRXPFXAO-CJNGLKHVSA-N	397.500	2.422	0	1	GEAF	
CNC[C@@H]1Oc2ncc(-c3ccc(OC)cc3)cc2C(=O)N([C@@H](C)CO)C[C@@H]1C	95732449	KUOLKNDJLDMVPT-AVYPCKFXSA-N	399.491	2.197	0	1	GEAF	
CCC(=O)N1CC2(C1)[C@@H](c1ccc(C3=CCCC3)cc1)[C@@H](CO)N2C(=O)COC	95796280	YTSNREZWCLYNLJ-KNQAVFIVSA-N	398.503	2.178	0	1	GEAF	
COc1ccccc1NC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(C)=O	95894616	QJDNWBNBGNMAFV-HBFSDRIKSA-N	381.432	2.423	0	1	GEAF	
CCCCn1c(-c2c(C)ccc3[nH]ncc23)cn2c3c(=O)[nH]c(=O)n(C)c3nc12	95921223	DQROUBDXZUEWBE-UHFFFAOYSA-N	391.435	2.328	0	1	GEAF	in-vitro
O=C(CCN1C(=O)[C@@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C1=O)Nc1ccc(Cl)cc1O	169300912	CAXIQVSZUQAKEM-UORNUTKOSA-N	386.835	2.427	0	1	GEAF	
CC(C)n1cc(C(=O)c2cncc(NC(=O)Cn3cccn3)c2)c2cncnc21	169707680	WSTFNPPJPXUXQR-UHFFFAOYSA-N	389.419	2.473	0	1	GEAF	
NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cn3cc(C(=O)O)nn3)cc2n1	221622652	ZZLYBXAWOCJNDA-UHFFFAOYSA-N	391.362	2.478	0	1	GEAF	
CC[C@H]1[C@@H](O)[C@H]2CN3CCc4c([nH]c5ccc(OC)cc45)[C@](C(=O)OC)(C2)[C@H]13	238767297	UKYBFFVWOWRLGX-PBJGUAMNSA-N	384.476	2.235	0	1	GEAF	
Cc1ccnc(C(=O)N2[C@H]3CC[C@H]2[C@@H](COc2ccccn2)C3)c1-n1nccn1	473180301	KIUJEZNVENCQRE-IKGGRYGDSA-N	390.447	2.438	0	1	GEAF	
CCS(=O)(=O)c1cccc(Cc2nc3ccc(S(=O)(=O)O)cc3[nH]2)c1	586922556	WGDCJAXWIBEFLB-UHFFFAOYSA-N	380.447	2.194	0	1	GEAF	
C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc(Cl)c(Cl)nc2[nH]1	586938061	ILSAGCANWCYURD-ZCFIWIBFSA-N	375.241	2.038	0	1	GEAF	
Cn1ncc2cc(Cc3n[nH]c4ccc(C(=O)N5CC[C@H](O)C5)cc34)ccc21	653725001	GPXUGZJCRBUYGZ-INIZCTEOSA-N	375.432	2.247	0	1	GEAF	
Cc1cnn([C@@H]2[C@H]3OC[C@@H](O3)[C@H](NCc3ccc(Cl)c(Cl)c3)[C@H]2O)c1	2356297585	WLFCRFPUULHAJH-HMDCTGQHSA-N	384.263	2.314	0	1	GEAF	
CC[C@@H]1C[C@H]2C[C@@]3(C(=O)OC)c4[nH]c5ccc(OC)cc5c4[C@H]4O[C@@H]2N([C@H]4O)[C@@H]13	2356543901	VQGAYUYOVHVHFB-JRVQELIWSA-N	398.459	2.437	0	1	GEAF	
COc1cc(O)c2c(c1Cl)C=CC[C@H](O)[C@H](O)[C@@H](O)C=CC[C@@H](C)OC2=O	2356713164	ASZQCWYVQBKBBJ-FENQKFPNSA-N	398.839	2.045	0	1	GEAF	
CCOC(=O)C1=C(C)N(CCCC(=O)O)C(=O)N[C@H]1c1cccc(OC)c1	13125888	KYQXOEBSULDKMP-KRWDZBQOSA-N	376.409	2.463	0	3	GEAF	
O=C(CCNS(=O)(=O)c1cccc2nsnc12)Nc1ccc(F)cc1	2457770	WJWMQJKYPSKWHX-UHFFFAOYSA-N	380.426	2.138	0	1	GEAF	
CCn1c(=O)n(CC(=O)Nc2nc3ccccc3s2)c(=O)c2ccccc21	2922906	MDRMXOZDDFZWOL-UHFFFAOYSA-N	380.429	2.432	0	1	GEAF	
CS(=O)(=O)Nc1ccc(OC[C@H](O)CNCCc2ccc(Cl)cc2)cc1	29330212	VMIBLDKZGHZFMI-QGZVFWFLSA-N	398.912	2.284	0	1	GEAF	
CCC(=O)NC[C@H]1CN(c2cc(F)c(N3CCCOCC3)c(F)c2)C(=O)O1	40848667	YOOMVBHTCJXKLH-ZDUSSCGKSA-N	383.395	2.043	0	1	GEAF	
CCOCCn1nc(C)c2nc(N3CCNCC3)nc(Nc3cc(C)ccn3)c21	49071635	COIONXOQVKNMPQ-UHFFFAOYSA-N	396.499	2.028	0	1	GEAF	
OC[C@H]1[C@@H](O)[C@@H](O)CCN1CCCCCOCC12CC3CC(CC(C3)C1)C2	84618208	VIZUYNYAIYKSCL-DGVWQGFFSA-N	381.557	2.178	0	1	GEAF	
CC(=O)N1[C@H](CO)[C@H](c2ccc(-c3cccnc3)cc2)[C@H]1CNC(=O)C1CCC1	95867980	UFLXHXFNDHCJFO-YPAWHYETSA-N	393.487	2.340	0	1	GEAF	
COCC(=O)NC[C@@H]1[C@@H](c2ccc(C3=CCCC3)cc2)[C@@H](CO)N1C(=O)C1CC1	95895881	QFILKHAMRPHMJJ-KCZVDYSFSA-N	398.503	2.082	0	1	GEAF	
O=S(=O)(c1ccc2nc([C@H]3C[C@H](O)c4ccccc43)[nH]c2c1)N1CCOCC1	586900944	FNYNQGUHICDYOX-LPHOPBHVSA-N	399.472	2.153	0	1	GEAF	
CCOC(=O)[C@H]1C[C@@]2(C[C@H]1C(=O)OCC)Oc1cc(OC)cc3c1C(=O)[C@H]2C3	587441316	JWEXCTWPQSHYEM-VWEBPMOJSA-N	388.416	2.334	0	1	GEAF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H]3CN[C@H](C(=O)O)[C@H]3C2)N1	587790388	CPXIPMZMLLPLKT-SCAXLIDVSA-N	383.261	2.400	0	1	GEAF	
Cc1nnc2ccc(C(=O)NC3CN(c4ncc(OC(C)C)cn4)C3)cc2c1C	1857667900	NRKCOQOCHCFMPV-UHFFFAOYSA-N	392.463	2.442	0	1	GEAF	
COc1ccc(S(=O)(=O)N2CCN3C(=O)N(C4CCCCC4)C[C@@H]3C2)cc1	2356496155	RCXCOBRLWKGJCS-INIZCTEOSA-N	393.509	2.138	0	1	GEAF	
COc1c2c(cc3c1[C@@H]1[C@H](c4ccc5c(c4CN1C)OCO5)[C@H](O)C3)OCO2	2356615533	FYMTWGUKLAVFLL-FSPWUOQZSA-N	383.400	2.340	0	1	GEAF	
Cc1ccccc1CN1CCN2C=C(C(=O)NCc3ccco3)OC2=NC1=O	205224989	ACFJHSHRCDVEOK-UHFFFAOYSA-N	380.404	2.370	0	3	GEAF	
C[C@@](O)(C(=O)Nc1ccc(S(=O)(=O)c2ccccc2)c(O)c1)C(F)(F)F	13760146	PXUHSBKGJFYMON-OAHLLOKOSA-N	389.351	2.477	0	1	GEAF	
O=C1Nc2c(I)cc(I)cc2C1=O	28641786	HXBUSFFADZWMJT-UHFFFAOYSA-N	398.925	2.031	0	1	GEAF	
Cc1cnc(N2CCN(c3ncccn3)CC2)nc1NCCc1ccc(O)cc1	82203849	CWTBMNOGAYKQDF-UHFFFAOYSA-N	391.479	2.262	0	1	GEAF	
O=S(=O)(NC[C@@H]1[C@@H](c2ccccc2)[C@H](CO)N1CC1CC1)c1ccccc1	95599903	DZQWNXDWAYARHT-QHAWAJNXSA-N	386.517	2.204	0	1	GEAF	
COc1nc(N2CCOC[C@@H]2C)c2ccc(-c3ccc(OC)c(CO)c3)nc2n1	168781180	XVSLFABBEHQYLA-ZDUSSCGKSA-N	396.447	2.426	0	1	GEAF	
Cc1c(/C=C/C(=O)NCCCN2CCN(C)CC2)c(O)c2c(O)cccc2c1O	169716726	ICIVCHXTYISVCI-BQYQJAHWSA-N	399.491	2.032	0	1	GEAF	
O=C(N[C@H]1[C@H]2C[C@H]3C[C@@H]1C[C@@](O)(C3)C2)c1sc(OCCO)nc1C1CC1	263620795	NJXRHIKVLFLBME-CADCVYQQSA-N	378.494	2.061	0	1	GEAF	in-vitro
O=C(NCc1ccccc1)N1CCC(c2nc(CCN3CCOCC3)no2)CC1	299824647	IANDQLOXRTXJOS-UHFFFAOYSA-N	399.495	2.034	0	1	GEAF	
CCN(CC)S(=O)(=O)c1cccc(-c2nc3ccc(C(=O)OC)nc3[nH]2)c1	586931252	ZICJEGZUHBSOML-UHFFFAOYSA-N	388.449	2.442	0	1	GEAF	
Nc1nc(O)c2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c2n1	587001696	PJOZJLMFMBKFMX-UPHRSURJSA-N	390.197	2.345	0	1	GEAF	
COc1ccc(-n2ccc3c(NCCN4CCOCC4)ncnc32)cc1OC	653859666	KMFXCLAGVARKSD-UHFFFAOYSA-N	383.452	2.182	0	1	GEAF	
Cc1cc2c(cc1O)[C@@](C)(/C=C1\Nc3ccccc3NC1=O)N[C@H](C(=O)O)C2	963505645	CGHBZHJNJPCFLA-JPJXKKEGSA-N	379.416	2.463	0	1	GEAF	
COc1ccc([C@@]2(C)NC(=O)N(C[C@H](O)c3ccc(F)cc3F)C2=O)cc1	1857564992	VGDHCMGTODEDEX-QFBILLFUSA-N	376.359	2.474	0	1	GEAF	
CC1CCN(C[C@@H]2CN3CC[C@H]2C[C@@H]3CNS(=O)(=O)c2ccccc2)CC1	2356298727	XOEJDJIPWVYDQQ-XUVXKRRUSA-N	391.581	2.407	0	1	GEAF	
COC(=O)[C@@H]1C[C@@]23CCCN4CC[C@]5(c6cccc(OC)c6N[C@@]15CC2)[C@@]43O	2356770079	WSGUCCCLBAHHRU-JBOLQRTASA-N	384.476	2.259	0	1	GEAF	
Cc1cc(C)c2c(=O)n(CC(=O)N3CCN(c4ccccc4)CC3)ccc2n1	61935683	QCKTXJMYYWWSQN-UHFFFAOYSA-N	376.460	2.362	0	3	GEAF	
COc1ccc(N2C(=O)c3ccccc3NC(=O)[C@@H]2C(=O)NCC(C)C)cc1	169303109	QGCACDYHSFZEFM-SFHVURJKSA-N	381.432	2.435	0	3	GEAF	
CCCCCC[C@@H](O)CCCCCC/C=C/C[C@@H](O)[C@H](O)C(N)(CO)CO	27518252	ZPWAKEGUGTYZJD-FCNNDUEPSA-N	389.577	2.009	0	1	GEAF	
O=S(=O)(c1ccccc1)c1cc(-n2cncn2)c2oc3c(c2c1)CNCC3	147573959	KDWYZNFGOADSAQ-UHFFFAOYSA-N	380.429	2.492	0	1	GEAF	
Cc1cncc(-c2cc3c(cn2)cnn3-c2cccc([C@H]3CNCC[C@H]3O)n2)n1	216487316	NRWVKWOODSLDFZ-FOIQADDNSA-N	387.447	2.019	0	1	GEAF	
NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCC(O)(O)CC3)cc2n1	221608063	IERCHHGTJHHXEG-UHFFFAOYSA-N	395.434	2.417	0	1	GEAF	
C/C=C(\C)C(=O)N1C[C@H](OCCCc2ccccc2)C[C@H]1C(=O)NC[C@H](C)O	299884620	UDWWWQSUAAMSMQ-IGLGHFDLSA-N	388.508	2.069	0	1	GEAF	
C[C@@]1(CC(=O)NCC(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	587337401	OCFSBRZBFYANHU-ICSRJNTNSA-N	387.363	2.240	0	1	GEAF	
O=C(NCc1cnccn1)c1csc(CCNCc2nc3ccccc3[nH]2)n1	1857576043	QIXAUNFUYNYOJY-UHFFFAOYSA-N	393.476	2.072	0	1	GEAF	
COCCN1C(=O)[C@H]2C[C@@H](CN2Cc2ccc(OC)nc2)Oc2ccccc21	2356302321	RMKRUXOFNWYZBE-FUHWJXTLSA-N	383.448	2.105	0	1	GEAF	
COc1ccc(NC(=O)[C@@H]2CCCN2c2nn3c(=O)cc(C)nc3s2)cc1	6807217	KPRYVGJCEZYMNX-AWEZNQCLSA-N	385.449	2.076	0	3	GEAF	
CCCCCCN1CCN([C@H]2CN(CCc3ccccc3)S(=O)(=O)C2)CC1	95571559	LHTJATDAZULNRX-NRFANRHFSA-N	393.597	2.441	0	3	GEAF	
COc1ccc(CN2[C@H](C(=O)NC3CCCC3)CSCCS2(=O)=O)cc1	96020306	HZXKKIKGZBASIG-KRWDZBQOSA-N	398.550	2.001	0	3	GEAF	
CCOC(=O)COc1ccc(OCC(=O)OCC)c2c1C(=O)CCCC2=O	1617917	YQYSXMMGYNWGSF-UHFFFAOYSA-N	378.377	2.120	0	1	GEAF	
CC(C)(C)NC[C@H](O)COc1ccc(NC(=O)c2cccs2)cc1C(N)=O	25977602	BLSZAHBASWFUOW-ZDUSSCGKSA-N	391.493	2.227	0	1	GEAF	
CCCC[C@H](N[C@@H](C)C(=O)N1[C@H](C(=O)OCC)C[C@@H]2CCCC[C@@H]21)C(=O)O	38174251	YSTYLHQNVGRLGG-WOYTXXSLSA-N	382.501	2.331	0	1	GEAF	in-man
CCOc1ccccc1-c1nc(C(=O)N[C@@H](C)C(=O)OCCN(C)C)cs1	82070911	XKVUZLIFIYEPAP-ZDUSSCGKSA-N	391.493	2.432	0	1	GEAF	
COc1cccc(CNc2nc(N3CCC[C@H](C(N)=O)C3)ncc2C)c1OC	82204310	ILUYRWDLSGFIDC-HNNXBMFYSA-N	385.468	2.116	0	1	GEAF	
CC(=O)Nc1c2n(c(=O)n(Cc3ccncc3)c1=O)C[C@H](CC1CCCCC1)N2	82210556	JDXKCLCQKDGYMG-KRWDZBQOSA-N	397.479	2.176	0	1	GEAF	
CC(C)c1cn(CC[C@H]2CC[C@H](NC(=O)C3CCCCC3)[C@@H](CO)O2)nn1	95904415	IVOJAZGHNQZOGY-ZIFCJYIRSA-N	378.517	2.397	0	1	GEAF	
CNC(=O)C1=C(C)NC(Nc2nc3ccccc3o2)=N[C@@H]1c1nn(C)cc1Cl	139371753	LJYIEDZBEIDLQF-HNNXBMFYSA-N	399.842	2.347	0	1	GEAF	
Cc1c(Br)cnc2[nH]c(CN(C)S(=O)(=O)c3cccnc3)nc12	586928480	CVNSXCZWTONKGK-UHFFFAOYSA-N	396.270	2.245	0	1	GEAF	
Cc1c(Br)cnc2[nH]c([C@@H](CC(N)=O)NC(=O)CC(C)C)nc12	587202074	BPTUWSMJDIXOLW-SNVBAGLBSA-N	382.262	2.108	0	1	GEAF	
COc1ccc2c(c1OC)[C@](CS(=O)(=O)N(C)C)(C(C)C)N(C)[C@H](C)C2	962628656	MNRIENAUONWLSN-KUHUBIRLSA-N	384.542	2.323	0	1	GEAF	
Cc1cn2cc(NC(=O)c3ccc(N4CCN[C@H](C)C4)c(F)c3F)ncc2n1	1772625384	LYOXXWWGQVUGJN-LLVKDONJSA-N	386.406	2.366	0	1	GEAF	
COCCNc1nc(NC2CCN(C)CC2)c2cc(OC)c(OC)cc2n1	1772637282	KUAVQPWNIWMBPI-UHFFFAOYSA-N	375.473	2.211	0	1	GEAF	
CC[C@@H]1[C@H](O)[C@@H]2[C@H](C)C(=O)O[C@]23C[C@H]([C@@H]2C[C@H](C)C(=O)O2)N2CCCC[C@@H]1[C@H]23	2356435537	FQNFTSJPXXRUHI-OKOZETPUSA-N	391.508	2.130	0	1	GEAF	
COC(=O)[C@@H]1[C@H](CO)Cc2cc(OC)c(O)cc2[C@H]1c1ccc(O)c(OC)c1	2356566626	NREMFWIZQSDSDC-CJMONDIMSA-N	388.416	2.201	0	1	GEAF	
CC[C@@H](c1nnnn1C(C)(C)C)N1CCC2(CC1)C(=O)NCN2c1ccccc1	72135772	KMPMDXVVWARRNM-KRWDZBQOSA-N	397.527	2.308	0	3	GEAF	
COC(OC)[C@H]1CCCN1C(=O)[C@H]1CCCN1C(=O)OCc1ccccc1	2569809	FWRIGQASSHUNQU-IAGOWNOFSA-N	376.453	2.398	0	1	GEAF	
CCOC(=O)C1CCN(C(=O)CN2C(=O)[C@@H](CC)Oc3ccc(C)cc32)CC1	2934160	DSPCVJQETUFWLN-QGZVFWFLSA-N	388.464	2.301	0	1	GEAF	
O=C(NCc1ccccc1)[C@H]1CCCN(S(=O)(=O)N2CCCCCC2)C1	6921627	ZYTBUVBZDKKSSQ-SFHVURJKSA-N	379.526	2.136	0	1	GEAF	
N[C@@H](CC(=O)N1CCC[C@H]1C(=O)NCc1ccccc1)Cc1ccccc1F	14958971	CGKHIDJCCSTBNU-QUCCMNQESA-N	383.467	2.393	0	1	GEAF	
CCCCN1C(=O)C(=O)c2cc(S(=O)(=O)N3CCC[C@H]3CCOC)ccc21	95602232	LBLRFYICWPZBDS-AWEZNQCLSA-N	394.493	2.206	0	1	GEAF	
CC(C)c1cn(CC[C@H]2CC[C@@H](NC(=O)C3CCCCC3)[C@H](CO)O2)nn1	95904418	IVOJAZGHNQZOGY-LMMKCTJWSA-N	378.517	2.397	0	1	GEAF	
CC(=O)c1ccccc1OC(=O)CCN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@@H]2C1=O)[C@@H]1C[C@H]31	169300376	BTBBTBLGIFDWMW-VMGHMQSFSA-N	379.412	2.238	0	1	GEAF	
C[C@@H](c1ccc(Br)cc1)N1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)O)[C@@H]3C1=O	169304179	GOQWWHKSTWYHTI-PIOCDBAESA-N	378.222	2.377	0	1	GEAF	
COC(=O)C(=O)C[C@@]1(c2cccnc2)N[C@@H](C)Cc2c(OC)ccc(OC)c21	963642364	YINQCVYCOJJMCB-ZSEKCTLFSA-N	384.432	2.009	0	1	GEAF	
C[C@H]1C[C@H]2CSC(=N)N[C@]2(c2nc(NC(=O)c3cnn(C)c3)cs2)CO1	1772644868	FLSYKADZRPHBBY-KJRLAJNESA-N	392.510	2.020	0	1	GEAF	
CNS(=O)(=O)c1ccc(CCNC(=O)c2ccc(OC)c(Cl)c2)cc1	1857656683	JAIGKUGNTWJIAI-UHFFFAOYSA-N	382.869	2.229	0	1	GEAF	
C[C@]1(O)CCN(C(=O)C2CCOCC2)[C@@H](c2ccccc2)[C@@H]1NC(=O)C1CC1	2356700471	NVTXKURUROWRAR-IPJJNNNSSA-N	386.492	2.032	0	1	GEAF	
CC(=O)N[C@H](C)[C@H](O)C[C@@H](O)CCCCC[C@H](O)CCCCCCCO	2356728414	JIMOHLIIDCNPSU-RSPOEFSDSA-N	375.550	2.267	0	1	GEAF	
CCOC1=CC2=c3ccc(OC)c(OC)c3=CN(C)[C]2c2cc3c(cc21)OCO3	2356846574	KOJQTSKETSRNIX-UHFFFAOYSA-N	392.431	2.238	0	1	GEAF	
Cc1nc(N2CCOCC2)c2c(C)c(C(=O)NC[C@@H]3CCCO3)sc2n1	753837	PWRNPVFKQUGHSR-ZDUSSCGKSA-N	376.482	2.054	0	1	GEAF	
O=C1Nc2ccc(Cl)cc2C(c2ccccc2Cl)=N[C@H]1OC[C@@H](O)CO	2002542	RUZTZHORWNXEDM-VOJFVSQTSA-N	395.242	2.479	0	1	GEAF	
COc1cc([C@H]2Oc3c(ccc4ccc(=O)oc34)O[C@@H]2CO)cc(OC)c1O	13400495	FCWOSPBWIBSFOO-CRAIPNDOSA-N	386.356	2.389	0	1	GEAF	biogenic
CCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(CCn2ccnc2)CC1	27988098	YLPGQVDUVLQTSS-UHFFFAOYSA-N	384.480	2.334	0	1	GEAF	
COC(OC)[C@H]1CSCN1C(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1	28259526	KONWGJHQYGFCBA-JKSUJKDBSA-N	394.493	2.308	0	1	GEAF	
N=C(N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)CCc2ccccc2)cc1	39029430	RNZKCCPFUWHBFY-IBGZPJMESA-N	378.476	2.211	0	1	GEAF	in-vivo
C[C@@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO	40698193	YYZXYYHUGHQGHI-GFNZWVRUSA-N	394.483	2.120	0	1	GEAF	
Nc1nc(-c2cc(N3C[C@H](O)[C@@H](O)C3)ccc2O)cc(C2CCCCCC2)n1	72109273	CIBIVMWDVTYWNT-PMACEKPBSA-N	384.480	2.411	0	1	GEAF	
CC[C@@H]1C2=C3N(CCCC2)[C@H]([C@@H]2C[C@H](C)C(=O)O2)C[C@@]32OC(=O)[C@@H](C)[C@H]2[C@@H]1O	103565569	AQNPGXKKPJKNFG-NOULQYMOSA-N	389.492	2.399	0	1	GEAF	biogenic,in-vitro
Nc1nnc(-c2ccc3[nH]cc(-c4cncc(O[C@@H]5CCCNC5)n4)c3c2)o1	204769731	KKVGPCFFNMHJHC-GFCCVEGCSA-N	377.408	2.388	0	1	GEAF	
Cc1ccc(NCCc2ccccc2)c(=O)n1CC(=O)NC[C@H]1CC[C@H](N)CC1	254004853	SFAAKBBANQLWSZ-MXVIHJGJSA-N	396.535	2.445	0	1	GEAF	
Nc1cc(C(=O)O)ccc1Cc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1	587250759	YTBZGDPRJAOOHX-UHFFFAOYSA-N	390.403	2.493	0	1	GEAF	
CCC(C)=CC(=O)O[C@H]1CC(C(=O)OC)=C[C@@H](OC(=O)C=C(C)CC)[C@@H]1O	2356606122	DNOICGYKMBYMBW-GJYPPUQNSA-N	380.437	2.387	0	1	GEAF	
COc1ccc(CN2CCC(=O)N([C@H](CO)c3ccccc3)CC2)cc1OC	12474793	LCJYMROXDQKQAA-LJQANCHMSA-N	384.476	2.472	0	3	GEAF	
Cc1cc(CNC(=O)[C@]2(C(F)(F)F)C[C@@H](CCCO)CCCO2)nn1C	13829134	NMKGXEKUYCZOQN-BBRMVZONSA-N	377.407	2.235	0	3	GEAF	
C[C@]12CC[C@@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2NC(=O)[C@@H](N)CO	61946715	QPFKAJPAZADUGH-DOCRHMGXSA-N	376.541	2.115	0	3	GEAF	
Cc1ccc(-c2nn(Cc3n[nH]c(=S)n3-c3ccc(F)cc3)c(=O)n2N)cc1	42990119	SMJQUQFXMVDPLA-UHFFFAOYSA-N	397.439	2.165	0	1	GEAF	
Cn1cc(Br)c(C(=O)N2CCN(CCc3ccccc3F)CC2)n1	58568355	XXXWHRRPNACCJW-UHFFFAOYSA-N	395.276	2.322	0	1	GEAF	
CC(=O)N[C@H]1CCN(c2ncc(C)c(NCCCN(C)c3ccccc3)n2)C1	82212939	NZHYOKOLRBGHRY-SFHVURJKSA-N	382.512	2.438	0	1	GEAF	
O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O[C@@H](CO)CCCO)c12	85569485	RXBZEZVPSLSEAI-CQSZACIVSA-N	388.372	2.089	0	1	GEAF	biogenic,in-vitro
CCN(C[C@H]1[C@H](c2ccc(-c3cccnc3)cc2)[C@H](CO)N1C(C)=O)C(C)=O	95895925	AHPRIPWQPCWYIR-FKBYEOEOSA-N	381.476	2.292	0	1	GEAF	
C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)OC)[C@@H]2N1CC1CCCC1	100099498	YPQHVGXWEZJLQD-ZJYXRENHSA-N	386.492	2.208	0	1	GEAF	
CNc1nc(Nc2cc(OC)c(C(=O)N3CC(O)C3)cc2Cl)ncc1Cl	147713108	FCKGVCNTDVNMQT-UHFFFAOYSA-N	398.250	2.394	0	1	GEAF	
O=c1c(Cl)c(Cl)cnn1C[C@@H](CO)NCc1ccnc2ccccc12	169328817	SMHJYQPQEJUBPC-LBPRGKRZSA-N	379.247	2.249	0	1	GEAF	
COc1ccc2c(c1)c(C(C)=O)c(-c1ccccc1)n2C1=NNC(=S)N[C@H]1N	169346644	ILUAWKFBLURWID-GOSISDBHSA-N	393.472	2.444	0	1	GEAF	
CCS(=O)(=O)NCCCc1nc2ccc(I)cc2[nH]1	586942490	MQQYIHBRTWMPII-UHFFFAOYSA-N	393.250	2.039	0	1	GEAF	
Nc1nc([C@@]2(C(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cs1	587613795	QEPMJYXNCAMYDS-FZKQIMNGSA-N	384.369	2.373	0	1	GEAF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@H]3[C@H]2CN[C@H]3C(=O)O)N1	587798644	UXGDSONUDOCKIX-UWTJCVIRSA-N	383.261	2.400	0	1	GEAF	
O=C(N[C@H]1CCS(=O)(=O)C1)c1n[nH]c2ccc(-c3cccc(F)c3F)cc12	1911571655	LPOOEMSIXFBVLW-NSHDSACASA-N	391.399	2.425	0	1	GEAF	
Cc1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@@]4(CN(Cc5cccnc5)C(=O)[C@H]24)O3)cc1	251268805	KKELNQXQWMMKDJ-IWQHBPENSA-N	375.428	2.311	0	3	GEAF	
Cc1cccc(C)c1NC(=O)CNCCCNC(=O)C1=CC(C)(C)NC1(C)C	40631479	OGEFOIDZDABTGN-UHFFFAOYSA-N	386.540	2.425	0	1	GEAF	
C[C@H](CN(C)C)NC(=O)c1nn(C)c2c1CCc1cnc(NC3CCCC3)nc1-2	45356400	QXGLBQINCBIXHY-CYBMUJFWSA-N	397.527	2.010	0	1	GEAF	
CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@H](C)NC[C@H]1C	95679680	MLEIFZNHXKEZCN-BIENJYKASA-N	389.496	2.129	0	1	GEAF	
O=C1C[C@@H](c2ccccc2F)C(=O)N1CN1CCN(Cc2ccccc2)CC1	103010821	SPPGSTWYERROSC-IBGZPJMESA-N	381.451	2.444	0	1	GEAF	
Cc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2ccc(OCC#N)cc2)c1	114078261	CWYCUONCOWMQFA-UHFFFAOYSA-N	390.447	2.358	0	1	GEAF	
Cc1c(N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@H]5C[C@@H]54)[C@H]3C2=O)c(=O)n(-c2ccccc2)n1C	169693288	QKMUGOSVGDEHFO-DWMDIXPDSA-N	375.428	2.042	0	1	GEAF	
CCCOC(=O)N[C@@H](CC(C)C)C(=O)N1C[C@@H]2C(Br)=NO[C@H]2C1	473161132	ZYVXXCMWSKMEGK-SRVKXCTJSA-N	390.278	2.103	0	1	GEAF	
COc1ccc(S(=O)(=O)N[C@@H](c2nc3cc(F)c(F)cc3[nH]2)[C@H](C)O)cc1	586935163	CGYAUUASCAWBLF-XXFAHNHDSA-N	397.403	2.250	0	1	GEAF	
COc1cc(N)c(I)cc1-c1nc2cc(N)ncc2[nH]1	587178700	IZLQFTPGJYUXGL-UHFFFAOYSA-N	381.177	2.403	0	1	GEAF	
COc1cc(OC)c2c(c1)C(=O)N(C)C(=O)[C@@]21CC(=O)c2cc(C)cc(N)c2O1	587393100	YXHNWDOEUGYUIK-OAQYLSRUSA-N	396.399	2.067	0	1	GEAF	
C[C@@H]1CC(=O)N([C@H](C)C(=O)N2CCN(c3cccc(Cl)c3Cl)CC2)C1=O	653801599	ILODGRMPAAQTAR-VXGBXAGGSA-N	398.290	2.426	0	1	GEAF	
CC=C1CN2CC[C@]34c5cc(OC)ccc5N5C(=O)[C@H](OC)OC[C@H]([C@H]1C[C@@H]23)[C@@H]54	2356439316	NBQDHEDMCIJPPC-FXGAFDTQSA-N	396.487	2.321	0	1	GEAF	
O=C1[C@@H]2Cc3c([nH]c4ccccc34)[C@H](c3ccccc3)N2C(=O)CN1CCCO	2149514	GLQRJGQVJYNQFT-UGKGYDQZSA-N	389.455	2.235	0	1	GEAF	biogenic
C[C@@]12C=C[C@]3(CN(Cc4ccccc4)C(=O)[C@@H]3[C@@H]1C(=O)NCc1ccco1)O2	4143138	OWGQHWVHMOBBLL-GMQQQROESA-N	378.428	2.268	0	1	GEAF	
O=C1Nc2ccc(-c3ccsc3)cc2C(=O)N2CCN(C(=O)C3CC3)C[C@@H]12	25207137	KTNMGABXBSNNJW-KRWDZBQOSA-N	381.457	2.430	0	1	GEAF	biogenic
COc1cccc(-c2ccc([C@@H]3[C@H](CO)N(C(C)=O)C34CN(C(C)=O)C4)cc2)c1	95668620	NBHXNKRZLKWQOZ-FCHUYYIVSA-N	394.471	2.270	0	1	GEAF	
CCO[C@H]1C([N+](=O)[O-])=C2N(Cc3ccc(Cl)nc3)CCN2[C@@]1(C)OCC	103184802	SAGYHGVAVOEZDM-RDJZCZTQSA-N	382.848	2.470	0	1	GEAF	
Cc1cccc(N2C[C@@H]3CCN(C(=O)c4cc(F)ccc4-n4nccn4)C[C@@H]32)n1	116826806	UBJATSKHGOXQKG-KXBFYZLASA-N	392.438	2.461	0	1	GEAF	
NC(=O)C1CN(C(=O)c2ccc3c(c2)[C@](O)(C(F)(F)F)c2ccccc2-3)C1	144716357	DSUKDJQYYDXGDM-SFHVURJKSA-N	376.334	2.023	0	1	GEAF	
COc1cccc(-n2c(C)nc3ccc(C(=O)c4cnn(C)c4O)cc3c2=O)c1	299839029	WYLZVRWXGITULC-UHFFFAOYSA-N	390.399	2.373	0	1	GEAF	
O=S(=O)(NCc1nc2cc(F)cnc2[nH]1)c1ccc(Br)s1	586943291	YXQYWBRAFSSWGC-UHFFFAOYSA-N	391.247	2.400	0	1	GEAF	
Cc1cc2[nH]c(-c3nn(C)c(C(=O)O)c3I)nc2c(C)n1	587180576	HBPJJUDYTSPAOD-UHFFFAOYSA-N	397.176	2.278	0	1	GEAF	
NS(=O)(=O)c1cc(-c2ccc3c(O)nc(O)nc3n2)c(Cl)cc1Cl	587562628	ICWGAEZEYAYFSM-UHFFFAOYSA-N	387.204	2.057	0	1	GEAF	
CO[C@@H]1C[C@@]23CCN(C)C(=O)[C@@H]4[C@H](C)OC[C@H]([C@@H]2N(C(C)=O)c2ccccc23)[C@H]41	2356420367	XLGWGETYTXOOFP-OEXISBQFSA-N	398.503	2.208	0	1	GEAF	
CC(=O)N[C@H](C)[C@H](O)C[C@H](O)CCCCC[C@@H](O)CCCCCCCO	2356728413	JIMOHLIIDCNPSU-GSEOLPGOSA-N	375.550	2.267	0	1	GEAF	
N#[N+]/C=C(\O)CNC(=O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O	4327872	HGQBWTHEBGOSLW-BHEFUSTPSA-O	377.380	2.263	0	3	GEAF	
CC[C@H](C)NC1=NS(=O)(=O)c2cc(I)ccc2N1	13524738	OKGYFBKWGXSILA-ZETCQYMHSA-N	379.223	2.150	0	1	GEAF	
O=C1CCC[C@@H]1C[C@H](CN1CCOCC1)Sc1nnnn1-c1ccccc1	31871944	OCVJVQVHWWLVIP-NVXWUHKLSA-N	387.509	2.215	0	1	GEAF	
Cc1ccc(Cc2cc([C@@H]3S[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)cc1	43131356	QQACZFXUTHECAN-OBKDMQGPSA-N	394.920	2.471	0	1	GEAF	
CC(C)CCN(C)Cc1cn(C[C@@H](O)COC(=O)NCc2ccccc2)nn1	82155436	DNUUBMUPAYOZIJ-LJQANCHMSA-N	389.500	2.043	0	1	GEAF	
CC[C@H]1Cn2c(c(NCc3ccc(NC(C)=O)cc3)c(=O)n(C(C)C)c2=O)N1	82224327	SKGBJIMYNHCZED-HNNXBMFYSA-N	385.468	2.366	0	1	GEAF	
O=C(NCCN1CCCC1)c1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1	167304305	ASFKNJBZDWXYKF-UHFFFAOYSA-N	380.492	2.065	0	1	GEAF	
Cc1nn(-c2ccccc2Cl)c(C)c1CCC(=O)NCCS(C)(=O)=O	299851354	FNYOVCZDHNZFMX-UHFFFAOYSA-N	383.901	2.236	0	1	GEAF	
Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4cccc(C(N)=O)c4[nH]3)cc12	587039642	ZPMCUXDNKAYLTR-VIFPVBQESA-N	382.449	2.409	0	1	GEAF	
N[C@@H](CCCNC(=O)OCc1ccccc1)c1nc2c(O)nc(S)nc2[nH]1	587259772	LSWLDVXVVZAVKU-NSHDSACASA-N	388.453	2.054	0	1	GEAF	
CS(=O)(=O)Nc1ccc(-c2cnn3ccc(=NCc4ccncc4)[nH]c23)cc1	1857586110	BCXCBOQNBAFSMW-UHFFFAOYSA-N	394.460	2.197	0	1	GEAF	
CCCCCC(=O)N1CC[C@](C)(O)[C@H](NC(=O)COC)[C@@H]1c1ccccc1	2356288583	HOWVPHKQTLFAIN-HBMCJLEFSA-N	376.497	2.423	0	1	GEAF	
CCCS(=O)(=O)NC(=O)[C@]1(C)CCCN(C(=O)CSc2ccccc2)C1	61903051	PWYMTOZAHNIARK-GOSISDBHSA-N	398.550	2.263	0	3	GEAF	
CC(C)(CNC(=O)C1CCCCC1)NC[C@H](O)COC(=O)c1ccccc1F	25974031	DWAJAFXXKDWCLL-INIZCTEOSA-N	394.487	2.408	0	1	GEAF	
Cc1c(OCCN2CCSCC2)ccc2c(=O)cc(N3CCOCC3)oc12	26180539	HJIZKRPOTBXWRI-UHFFFAOYSA-N	390.505	2.366	0	1	GEAF	
OC[C@H]1O[C@@H](c2cc(Cc3cc4cccccc-4c3)ccc2F)[C@H](O)[C@@H](O)[C@@H]1O	38938188	PNHTZOOMMJXJGI-ZQGJOIPISA-N	398.430	2.036	0	1	GEAF	
CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@@H](C)NC[C@@H]1C	95679682	MLEIFZNHXKEZCN-IQUTYRLHSA-N	389.496	2.129	0	1	GEAF	
O=C(CC1CC1)N1CC2(C1)[C@@H](c1ccccc1)[C@H](CO)N2C(=O)c1cccnc1	95871954	UDCLHFLVEFRBAT-FPOVZHCZSA-N	391.471	2.063	0	1	GEAF	
CC(C)C(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)O)O[C@H]1CO2	95891906	JZXHOMCODGESNA-LXZKKBNFSA-N	390.436	2.136	0	1	GEAF	
Nc1ccc(C[C@H](C(=O)O)c2cn([C@@H]3CCN(c4ccccc4)C3=O)cn2)cn1	137972052	PZVHBTKXUXKQNV-FUHWJXTLSA-N	391.431	2.249	0	1	GEAF	
Nc1ncnn2c([C@@H](O)C3CCOCC3)cc(-c3cc(F)c(CO)c(F)c3)c12	205817638	RVVSXCANBGCJEO-SFHVURJKSA-N	390.390	2.209	0	1	GEAF	
COc1cnc(-c2ccc3[nH]nc(-c4cc(N5CCOCC5)ncn4)c3c2)cn1	225573652	JPBTVRWULKETIQ-UHFFFAOYSA-N	389.419	2.322	0	1	GEAF	
C[C@@H]1C[C@]23C[C@H]1CC[C@H]2[C@]1(C(=O)O)CC[C@H](O)[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O	238754551	CQDCLVASIPBLIZ-OABXJDKXSA-N	380.437	2.076	0	1	GEAF	
CCCCO[C@@H]1C[C@H](C(=O)N[C@@H]2CCCC[C@H]2O)N(C(=O)c2ccco2)C1	299882956	QPCJRTYAFRCPPY-QBPKDAKJSA-N	378.469	2.099	0	1	GEAF	
CCN(CC)S(=O)(=O)c1ccc2nc([C@H](N)Cc3cscn3)[nH]c2c1	587029016	DOWVVCWBURSNCM-CYBMUJFWSA-N	379.511	2.292	0	1	GEAF	
FC(F)(F)c1ncc2nc(-c3nccnc3I)nc-2[nH]1	587186716	PXZJDUKPCQKKPQ-UHFFFAOYSA-N	392.082	2.385	0	1	GEAF	
CCn1c(=O)n(O)c(=O)c2cc(-c3cn(Cc4cc(F)ccc4F)nn3)ccc21	1772587477	STVMUOJPLJLYQA-UHFFFAOYSA-N	399.357	2.005	0	1	GEAF	
CNC(=O)c1cccc(Nc2ncnc(N3CC(Oc4ccccc4F)C3)n2)c1	1772652990	NUTYYLAMBPPPKA-UHFFFAOYSA-N	394.410	2.382	0	1	GEAF	
C[C@H](C(=O)N1CCOCC1)[C@@H]1CC[C@]2(C)Cc3sc(=N)[nH]c3[C@H](C)[C@@H]2[C@H]1O	2356849390	PVYVZTFGACOSGT-GKSTVHGKSA-N	393.553	2.104	0	1	GEAF	
COc1c(N2CC[C@@H]([C@@H](C)N)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12	27197493	IUKZNPAZKOFPNP-GHMZBOCLSA-N	389.427	2.356	0	1	GEAF	
C[C@@H]1C[C@@H](C)N(C[C@@H](O)CNS(=O)(=O)c2cc(Cl)sc2Cl)C1	28892164	MPFZBFNQYBYBCS-BBBLOLIVSA-N	387.354	2.424	0	1	GEAF	
O=C([C@H]1C[C@H](Oc2ccc(F)cc2)CN1)N1CCCN(C2CCCC2)CC1	49114493	NMGQVIBOWRVISE-VQTJNVASSA-N	375.488	2.412	0	1	GEAF	
CC(C)(C)NCCN1CCN(CC(=O)NC23CC4CC(CC(C4)C2)C3)CC1	95591963	TZRXNYBOOXBGNU-UHFFFAOYSA-N	376.589	2.077	0	1	GEAF	
COC(=O)C[C@@H]1C=C[C@@H](NC(=O)Nc2ccc(C(F)(F)F)cc2)[C@@H](CO)O1	95677650	PYGNPVIZRZQEAZ-BFHYXJOUSA-N	388.342	2.075	0	1	GEAF	
CO[C@H]1CCS(=O)(=O)N(C[C@H](O)Cn2c3ccccc3c3ccccc32)C1	223910381	BKNAJIHNTCWIDD-HOTGVXAUSA-N	388.489	2.206	0	1	GEAF	
C/C=C1/CN(C)CC[C@]23C(=O)C[C@@H]1[C@H]1CO[C@H](OC)C(=O)N(c4ccccc42)[C@@H]13	238759891	MHRUSPYZNNVVHC-QQQSRDQPSA-N	396.487	2.129	0	1	GEAF	
COC(=O)[C@@H]1N(C(=O)OC(C)(C)C)CC[C@]12CC(=O)c1cc(C)cc(N)c1O2	587397320	ZTRKZEAVINCCJO-JXFKEZNVSA-N	390.436	2.464	0	1	GEAF	
COC(=O)Cn1cc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)nn1	587755886	BHGQMYXFAPFJOU-FVMDXXJSSA-N	397.248	2.150	0	1	GEAF	
COC(=O)Cn1cc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)nn1	587761476	USQNXBBIQXRNOZ-FVMDXXJSSA-N	397.248	2.150	0	1	GEAF	
Cc1ccnc2c1CCN[C@@H]2c1c(N2CCSCC2)nc2ccccn2c1=O	963072709	NBPUAIUPRSDNAD-LJQANCHMSA-N	393.516	2.186	0	1	GEAF	
O=C1C[C@@](O)(C(F)(F)F)c2c(n[nH]c2C2CCN(c3ccccn3)CC2)N1	1857543273	WVMWLQLFMDDMPA-INIZCTEOSA-N	381.358	2.281	0	1	GEAF	
CCOC(=O)c1c(NC(=S)N2CCN(C(C)=O)CC2)sc2c1CCC2	1857588204	FWBTVBRSSUBPJA-UHFFFAOYSA-N	381.523	2.274	0	1	GEAF	
CN(C(=O)C1CCN(c2cnccc2-n2cc(Cl)cn2)CC1)[C@@H]1CCOC1	1857614140	UILLLRHSHNNGLR-MRXNPFEDSA-N	389.887	2.384	0	1	GEAF	
O=C(CCc1ccccn1)N1CCC[C@H](CNS(=O)(=O)c2cccs2)C1	13545266	FGVZGCFNCSBUGP-OAHLLOKOSA-N	393.534	2.293	0	3	GEAF	
COc1cc(N2C=Cc3c(cnc4nc(N)nc(N)c34)C2)cc(OC)c1OC	5853418	BIGRVUZNHBDRLI-UHFFFAOYSA-N	380.408	2.206	0	1	GEAF	
CC(C)C[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN(C(=O)CCC2CCNCC2)C1	26467706	LZPPYUNNJYIBTG-QZTJIDSGSA-N	395.544	2.010	0	1	GEAF	
O=C(NC(=O)c1ccccc1)Nc1ccc(S(=O)(=O)c2ncccn2)cc1	28572793	DUEHKUKXNAYSFQ-UHFFFAOYSA-N	382.401	2.271	0	1	GEAF	
CC[C@H]1CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C(C)(C)C)C[C@H]1N	28764992	DACDWPSMANLDGM-IINYFYTJSA-N	376.432	2.162	0	1	GEAF	
COc1cc([C@H]2Oc3cc(OC)c(OC)c(O)c3C(=O)[C@@H]2OC)ccc1O	40939221	FGWIIZSOSPHUBV-MJGOQNOKSA-N	376.361	2.455	0	1	GEAF	
O=CN(O)C[C@@H](CC1CCCC1)C(=O)N1CCCCN1C(=O)c1cccnc1	72175211	MFRJIKYAGLIWAE-GOSISDBHSA-N	388.468	2.105	0	1	GEAF	
CCC(=O)N1[C@@H](CO)[C@@H](c2ccccc2)C12CN(C(=O)c1ccc(F)cc1)C2	95794119	PYDQIVDMVGAAQB-AZUAARDMSA-N	382.435	2.417	0	1	GEAF	
O=C1CN(c2ccc(Cl)cc2)CCN1C[C@H](O)CN1CCc2ccccc2C1	209694461	JICPZAXECVIGNV-OAQYLSRUSA-N	399.922	2.408	0	1	GEAF	
COC(=O)C[C@H](O)C[C@H](O)CC[C@@H]1c2ccc(C)cc2[C@H](OC)[C@@H](O)[C@@H]1C	238769497	CUCVIRMSOSHTLP-CGZTVDABSA-N	380.481	2.232	0	1	GEAF	
COc1ccc(CCCc2nc3ccc(S(N)(=O)=O)cc3[nH]2)cc1OC	587925360	NGBAFGYWKMKCBM-UHFFFAOYSA-N	375.450	2.403	0	1	GEAF	
C[C@@H](c1ccccc1)c1ccc(C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)s1	1857581428	WEGAQZULQDYDAQ-JSGCOSHPSA-N	388.493	2.346	0	1	GEAF	
CC(C=CC(=O)NCCS(=O)(=O)O)=C[C@@H](C)C(=O)c1ccc(N(C)C)cc1	2356682669	PFWJROBANCEKNL-OAHLLOKOSA-N	394.493	2.078	0	1	GEAF	
COc1ccc(CCN(C)[C@@H]2CCCN(C(=O)c3ccnn3C)C2)cc1OC	12054460	IQBVTEPKUNDPNL-QGZVFWFLSA-N	386.496	2.216	0	3	GEAF	
COCCN1C(=O)COc2ccccc2[C@@H]1C(=O)Nc1ccc2c(c1)OCCO2	199206620	DCMPLZBLWUSKMC-HXUWFJFHSA-N	398.415	2.005	0	3	GEAF	
COc1cc(Nc2nc(N[C@@H]3CCCC[C@@H]3N)cnc2C(N)=O)cc(OC)c1	3994671	QWHIZRAQVGLTOV-LSDHHAIUSA-N	386.456	2.018	0	1	GEAF	in-vitro
O=C(CCS(=O)(=O)Cc1cccc(Cl)c1)N1CCC2(CC1)OCCO2	4711568	CGXIGLCJQBBCED-UHFFFAOYSA-N	387.885	2.010	0	1	GEAF	
Cc1c(N2CC[C@](F)(CN)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12	6520895	GDZLOKRPGYCGFA-IBGZPJMESA-N	377.391	2.200	0	1	GEAF	
CC(=O)Nc1cc(-c2cccc(N3CCOCC3)n2)nc(-n2nc(C)cc2C)n1	42888038	ONJXHXVTYOPVIN-UHFFFAOYSA-N	393.451	2.136	0	1	GEAF	
CO[C@@]12C=C[C@@]3(C[C@@H]1N)[C@@H]1Cc4ccc(O)c5c4[C@]3(CCN1CC1CC1)[C@H]2O5	100687154	SFHODFBNMSLERZ-FALLCTENSA-N	380.488	2.104	0	1	GEAF	
COCCCOc1cc(OC)cc([C@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)c1	203695980	DQPGEBYGTNTVFC-MGPUTAFESA-N	392.496	2.151	0	1	GEAF	
Cc1ccc([C@@H]2CCN(C(=O)OC3[C@H]4CC5C[C@H]3CC(C(N)=O)(C5)C4)C2)nn1	205300527	YZSLJAVCHHVZPG-KAJXUDMZSA-N	384.480	2.391	0	1	GEAF	
COC(=O)C[C@H]1c2c(ccc3c2C(=O)C(=O)N3C)-c2ccccc2N1C(C)=O	299862180	MPFPAGDUFGMXIZ-INIZCTEOSA-N	378.384	2.483	0	1	GEAF	
CCCCCOc1cc2nc([C@H](O)[C@H](O)C(=O)O)[nH]c2cc1Br	586890125	NLPAZKICAAEULU-OLZOCXBDSA-N	387.230	2.373	0	1	GEAF	
CN1C=C(C(=O)O)[C@@]2(c3ccc(C(=O)O)cc31)c1ccsc1CCN2C(N)=O	962703945	FXTDCKSAIJPHFS-LJQANCHMSA-N	399.428	2.045	0	1	GEAF	
CN1[C@H]2COC[C@H]1CC(NC(=O)c1cn(-c3cccnn3)c3ccccc13)C2	1772618908	MQUZODZQIDLYOO-HZPDHXFCSA-N	377.448	2.012	0	1	GEAF	
CCOc1ccc2sc(S(C)(=O)=O)nc2c1S(=O)(=O)NC(C)(C)C	1772625961	GZVNYPPDUMNAIR-UHFFFAOYSA-N	392.524	2.175	0	1	GEAF	
O[C@@H](c1ncco1)[C@H]1CCCN(c2ncnc3cc(N4CCOCC4)ccc23)C1	1772646821	JWEMHIXXACOGKY-HNAYVOBHSA-N	395.463	2.404	0	1	GEAF	
Cc1cc(C)c(S(=O)(=O)Nc2ccc3c(=O)n(O)c(O)nc3c2)c(C)c1	1857541647	TYFCDFZSWJMJGQ-UHFFFAOYSA-N	375.406	2.065	0	1	GEAF	
Cc1ccc(N2C(=O)N[C@H]3CCN(C(=O)c4ccc(N(C)C)cc4)[C@H]3C2=O)cc1	25232067	JBSVWMNIEUVCEO-RBUKOAKNSA-N	392.459	2.401	0	1	GEAF	biogenic
COc1ccc(S(=O)(=O)c2nc3ccccc3nc2N2CCC[C@@H](O)C2)cc1	84586673	ZYDPLPUAELXVCQ-CQSZACIVSA-N	399.472	2.432	0	1	GEAF	
Cn1c(O[C@@H]2CCCN(c3ccc(F)cc3)C2)nc(-c2ccncn2)cc1=O	146509222	WNLMUJLIHHMPON-MRXNPFEDSA-N	381.411	2.424	0	1	GEAF	
CCc1ccc(Nc2cccc3c2C(=O)N([C@H]2CCC(=O)NC2=O)C3=O)cc1	169322258	ULINOSHVWNYBFD-INIZCTEOSA-N	377.400	2.394	0	1	GEAF	
O=C(N[C@H](CO)[C@H](O)c1ccccc1)[C@@H]1C[C@H](CCc2ccccc2)CCN1	218772653	OYFXGWIHIKYQFV-FVTFTPSCSA-N	382.504	2.198	0	1	GEAF	
Cc1cccc([C@H]2C[C@@H]2COc2cc(NCc3nnc(C)s3)c(=O)n(C)n2)n1	221918575	XKXUBEQAUMEYRY-KGLIPLIRSA-N	398.492	2.438	0	1	GEAF	
COc1cc(Br)c([C@H](N)c2nc3ccnc(O)c3[nH]2)cc1OC	586976680	WVZWVHTVXPAUIK-LBPRGKRZSA-N	379.214	2.491	0	1	GEAF	
COC(=O)[C@@H]1C[C@]2(CCN1C)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1	587582201	KQOJJRWCALYHET-LFRPXUGBSA-N	383.400	2.360	0	1	GEAF	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cccc(NN)n1	587867822	CIJHUEDJMUAJKW-UHFFFAOYSA-N	378.314	2.342	0	1	GEAF	
CC1(C)Oc2cc(O)ccc2[C@H]2[C@@H]1C=Cn1c(=O)n(-c3ccccc3)c(=O)n12	1772570845	LOIMBROAWGVTSN-WMZOPIPTSA-N	377.400	2.367	0	1	GEAF	
Nc1ncnc2c1c(-c1ccc3ccccc3c1)cn2[C@@H]1O[C@H](CO)C[C@H]1O	1857582978	ZIXNSIRZOMAZQT-LUQKVYGDSA-N	376.416	2.474	0	1	GEAF	
COCC(=O)N[C@@H]1CC[C@]2(C)CC[C@H]([C@H](C)C(=O)N3CCCC3)[C@H](O)[C@H]2[C@H]1C	2356320300	TZIGWNROWUQXOF-NZBOVIOPSA-N	394.556	2.199	0	1	GEAF	
O=C(Cc1cccs1)N[C@@H]1CO[C@@H]2[C@@H]1OC[C@H]2n1cc(-c2ccccc2)nn1	2356836494	LBCMWAWSWDTUFN-LFGUQSLTSA-N	396.472	2.073	0	1	GEAF	
CC(C)N1CCC[C@@H](O)[C@@H](NC(=O)c2ccc(OCCN3CCCC3)cc2)C1	2356855868	RUBDWBRZXAZGPG-LEWJYISDSA-N	389.540	2.125	0	1	GEAF	
COc1ccc(OC)c(NC(=O)CCCN2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@H]3C2=O)c1	2455645	JZNJPIJGUQTLFE-FUOYASODSA-N	384.432	2.230	0	1	GEAF	
CCCn1nc2ccccc2c1P(=N)(N1CCOCC1)N1CCOCC1	4195358	NQIJOZBYPDZALU-UHFFFAOYSA-N	377.429	2.346	0	1	GEAF	
C[C@H](N)[C@@H]1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C1	9133439	UBOWFNLNGQTYJB-VHSXEESVSA-N	377.391	2.486	0	1	GEAF	
CN(Cc1ccccc1)[C@@H](c1cccc2nc(O)c(O)nc12)P(=O)(O)O	13440499	QJEFKTCXLNVCHX-QGZVFWFLSA-N	375.321	2.349	0	1	GEAF	
COCC[C@](O)(C(=O)O[C@H]1CN2CCC1CC2)c1ccc(Br)cc1	13650145	ZOZWUVWBBRZFQH-FUHWJXTLSA-N	398.297	2.311	0	1	GEAF	
COCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1coc2c(ccc3occc32)c1=O	71341286	PCJJXXZMCMXAMY-INIZCTEOSA-N	398.371	2.357	0	1	GEAF	
CCC(=O)N1CC2(CCN(C(C)=O)CC2)c2c([nH]c3cc(OC)ccc23)[C@H]1CO	95865527	HWAVJBCVPFBRIU-GOSISDBHSA-N	399.491	2.342	0	1	GEAF	
COCC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2Cc1ccc(OC)cc1	95893702	CKBNLVRAWLYVOG-TUNNFDKTSA-N	382.460	2.017	0	1	GEAF	
CCNC(=O)Nc1ccc(-c2nc(N3CCOC[C@@H]3C)c3ncn(C)c3n2)cc1	96283246	HMPQQYCOBUJYSG-ZDUSSCGKSA-N	395.467	2.397	0	1	GEAF	
COC(=O)c1cccc2cc(CCCCc3c(C(=O)O)[nH]c(=O)[nH]c3=O)ccc12	98209572	ILXUNLFRSXVJJZ-UHFFFAOYSA-N	396.399	2.267	0	1	GEAF	in-vitro
NCCCNCCCCNCCCNCC(=O)Nc1cccc2ccccc12	169331170	HLCQUPLYDLQZSA-UHFFFAOYSA-N	385.556	2.066	0	1	GEAF	
CCc1cncc(-c2cc3c(cn2)cnn3-c2cccc(N3CCNCC3)n2)n1	211044363	NZMKTUOUHOLJCW-UHFFFAOYSA-N	386.463	2.245	0	1	GEAF	
COc1ccc(C[C@H]2COC(=O)[C@@H]2[C@H](O)c2ccc3c(c2)OCO3)cc1OC	238756146	ARVNAKBKMLHRDP-PNHOKKKMSA-N	386.400	2.498	0	1	GEAF	
O=S1(=O)NC[C@]2(CCN(Cc3ccc(Cl)s3)C2)Oc2ncccc21	299849877	HRJROEQRDXMVSK-HNNXBMFYSA-N	385.898	2.112	0	1	GEAF	
CN(CC(=O)c1c(-c2ccco2)[nH]c2ccccc12)CC(=O)N1CCOCC1	473161115	ZXRVOLIRSFHFJD-UHFFFAOYSA-N	381.432	2.401	0	1	GEAF	
N=C(N)c1ccc2nc([C@H](CC(=O)O)NC(=O)OCc3ccccc3)[nH]c2c1	587204519	ZJEVWRBNIIDCNI-HNNXBMFYSA-N	381.392	2.289	0	1	GEAF	
COc1ccc([C@@]2(CS(C)(=O)=O)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1	587449504	PAPADGCERCEUMH-OXQOHEQNSA-N	388.441	2.391	0	1	GEAF	
CN1CCC(Oc2nn(C)c3cc(N=c4[nH][nH]c5cccnc45)ccc23)CC1	1857769051	AUHOJMFHOZABMV-UHFFFAOYSA-N	377.452	2.483	0	1	GEAF	
C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(SC(=S)N(C)c3cccs3)[C@H](C)[C@H]12	29396172	IPUPGPXMIBFBLJ-YJFSRANCSA-N	398.531	2.356	0	1	GEAF	
O=C(NCCCC[C@H](NC(=O)c1cccnc1)C(=O)O)OCc1ccccc1	40940135	CMVYRAWWEOBLGF-KRWDZBQOSA-N	385.420	2.361	0	1	GEAF	
CN(C)CCOCCOC(=O)CN(C)C(=O)c1csc(-c2ccccc2)n1	82076500	XSVIHNWSWCHYJB-UHFFFAOYSA-N	391.493	2.004	0	1	GEAF	
COC1CCC([C@H](C)Nc2nc(N3CCC[C@@H](C(N)=O)C3)ncc2C)CC1	82204044	JSQOTJPMATZZTH-ORBLRFAASA-N	375.517	2.492	0	1	GEAF	
O=c1c2[nH]cc[nH]c2c(=O)c2c(=O)n(Cc3ccc(-c4ccccc4)cc3)c(=O)c12	137079552	OYQNPHAKTACGIK-UHFFFAOYSA-N	397.390	2.045	0	1	GEAF	
COC[C@@H](C)N1C(=O)[C@]2(N=C1N)c1cc(C#N)ccc1CC21CCC(OC)CC1	142163839	BKPWTKXOOYWXJD-RZOAQAALSA-N	396.491	2.077	0	1	GEAF	
Cc1cnc(C)n2nc(CCc3nc(N4CCC[C@@H]4C(F)(F)F)nn3C)nc12	217419865	IYOBWTXUXXCLEH-GFCCVEGCSA-N	394.405	2.186	0	1	GEAF	
CN(C)c1cccc2c(S(=O)(=O)NCc3nc4ccnc(O)c4[nH]3)cccc12	586941907	PIEMRWMADRCVQY-UHFFFAOYSA-N	397.460	2.361	0	1	GEAF	
N[C@H](Cc1nc2ccc(S(N)(=O)=O)cc2[nH]1)c1ccc(Br)cc1	586996791	KJMFDRQLVSRYEI-GFCCVEGCSA-N	395.282	2.215	0	1	GEAF	
COCCNC(=O)c1cccc(NC(=O)CCc2nc3c(C)nccc3[nH]2)c1	587230877	JJSJJBGYTRMAEG-UHFFFAOYSA-N	381.436	2.214	0	1	GEAF	
CCOC(=O)[C@@]1(c2csc(NC=O)n2)CC(=O)c2cc(C)cc(N)c2O1	587415268	ZDBRJMHQUXYMIB-KRWDZBQOSA-N	375.406	2.026	0	1	GEAF	
C[C@@H](O)c1c(-c2ccc(F)cc2)noc1C(=O)N1CCN(c2ncccn2)CC1	2356434606	XYEYWRJEFCXLBV-CYBMUJFWSA-N	397.410	2.286	0	1	GEAF	
Cc1cccc(NC(=O)Cn2c(=O)n(C[C@@H]3CCCO3)c(=O)c3ccccc32)c1	4907009	FXZMJLCQCDHXIN-KRWDZBQOSA-N	393.443	2.289	0	3	GEAF	
CN(C)c1ccc(C2=NOC[C@]2(C)C(=O)N[C@@H](CO)Cc2ccccc2)cc1	769665	AMQDYMCMUMKLDY-GCJKJVERSA-N	381.476	2.213	0	1	GEAF	
N[C@@]1(C(=O)O)[C@H](OCc2cccc(-c3ccccc3)c2)C[C@@H]2[C@H]1[C@@]2(F)C(=O)O	13582164	KOLGCNQTLGUKEE-ZUKOONMSSA-N	385.391	2.464	0	1	GEAF	
COc1cccc2c1CC[C@H]1CN(CCn3c(O)nc4cccnc4c3=O)C[C@@H]21	13863026	UUWKLRJOWBMKIO-WMLDXEAASA-N	392.459	2.168	0	1	GEAF	
CC(C)C[C@H](CNC(=O)Cc1c[nH]cn1)Cc1ccc2c(c1C(=O)O)OCO2	95920998	CHUQQKDYOQZYHZ-ZDUSSCGKSA-N	387.436	2.400	0	1	GEAF	in-vitro
CS(=O)(=O)N1[C@@H]2CN(CC3CC3)C[C@H]1[C@@H]2c1ccc(Br)cc1	100083249	KCHOPNGZKYIOHM-MUJYYYPQSA-N	385.327	2.271	0	1	GEAF	
N[C@@H](Cc1ccc(O)cc1)C(=O)NCC12C[C@H]3C[C@H](C1)CC(CC(=O)O)(C3)C2	101457682	HLYXXEPIBWKYRY-YDMZLWIISA-N	386.492	2.440	0	1	GEAF	
COC(=O)C1=C[C@H](O)C[C@H]2[C@@]3(C)C[C@@H](c4ccoc4)OC(=O)[C@H]3C[C@@H](O)[C@@]12C	238769359	WMFCEJSQHFTWJN-BCFQWTOWSA-N	390.432	2.141	0	1	GEAF	
Cn1nccc1CS(=O)(=O)Cc1nc2cc(Br)cc(F)c2[nH]1	586923513	OLKDZVDRKFNQPP-UHFFFAOYSA-N	387.234	2.313	0	1	GEAF	
CCOC(=O)c1ccc2nc(CCc3ccc(S(=O)(=O)NC)cc3)[nH]c2c1	586946755	OTGBSSGGCPNMLD-UHFFFAOYSA-N	387.461	2.433	0	1	GEAF	
O=S(=O)(O)c1ccc2nc(-c3cnn4cc(Br)cnc34)[nH]c2c1	587008969	PVAJWBSXPKNRDJ-UHFFFAOYSA-N	394.210	2.282	0	1	GEAF	
O=C1N[C@H](CN(Cc2ccccc2)C(=O)/C=C/c2ccco2)N[C@@H]2CCS[C@@H]12	618015483	VPDACGCWANEWEF-AQVLNSJUSA-N	397.500	2.241	0	1	GEAF	
Cc1c2c(nn1C)[C@](CCCC(=O)O)(c1cc(F)cc(F)c1)N[C@H](C(=O)O)C2	962703496	CCRQTZQQHSZEQH-KXBFYZLASA-N	393.390	2.104	0	1	GEAF	
NC(=O)Cn1cc([C@H]2c3ccsc3CCN2C(N)=O)c(-c2ccccc2)n1	962715427	RSORADTWGOVOCC-GOSISDBHSA-N	381.461	2.123	0	1	GEAF	
CCOC(=O)CC[C@]1(CC(=O)OCC)NC[C@@H]2CC(=O)N(C)c3cccc1c32	963020387	FWLMKERCLXUDLZ-LHSJRXKWSA-N	388.464	2.232	0	1	GEAF	
COc1cc([C@H]2N[C@H](C(=O)O)Cc3c2cnc2ccccc32)c(OC)c(OC)n1	963225351	JWOGRGMWWVHRFU-FUHWJXTLSA-N	395.415	2.344	0	1	GEAF	
O=S(=O)(NC[C@@H]1C[C@H]2CCN1C[C@H]2CN1CCCCC1)c1ccccc1	2356298723	XDALEZVUDDMMRZ-QRVBRYPASA-N	377.554	2.161	0	1	GEAF	
O=C(CN(C(=O)[C@@H]1COc2ccccc2O1)c1ccccc1)NC[C@H]1CCCO1	898135	SBIIPUXMIXCTEY-XLIONFOSSA-N	396.443	2.155	0	3	GEAF	
COCC(=O)N1CC[C@@H]2NC(=O)N(c3ccc(Oc4ccccc4)cc3)C(=O)[C@H]21	25425547	ALEBGXFKMRAJDO-HKUYNNGSSA-N	395.415	2.151	0	1	GEAF	biogenic
C[C@@H]1CNCCN1c1cc(=O)n(C)c(CCc2ccccc2C(F)(F)F)n1	45245522	OPHCHIXWIXYSNL-CYBMUJFWSA-N	380.414	2.382	0	1	GEAF	
CNC[C@H](O)CCN1c2ccccc2N(c2ccc(F)cc2F)S1(=O)=O	49035912	JWVNRZQALLUPMN-CYBMUJFWSA-N	383.420	2.138	0	1	GEAF	
Cc1ccccc1-c1nc(C(=O)N[C@@H](Cc2ccccc2)C(=O)OCCN)co1	82069096	IDYLVWMYMVRCRR-SFHVURJKSA-N	393.443	2.493	0	1	GEAF	
C[C@@H](O)CNC(=O)CNC(=O)Cc1nc2ccc(-c3ccccc3)cc2s1	146216318	ULWIMLYODCBBQM-CYBMUJFWSA-N	383.473	2.119	0	1	GEAF	
O=c1[nH]nc(Cc2cccc(NS(=O)(=O)c3cccnc3)c2)c2c1CCCC2	167918717	KLADHWUWXYKHKB-UHFFFAOYSA-N	396.472	2.435	0	1	GEAF	
COc1ccc([C@@H]2[C@@H](C(=O)c3ccccc3)C(=O)C(=O)N2C[C@@H](C)O)c(OC)c1	169687293	JIRPRLPGOFAVAX-ZNZDAUKMSA-N	397.427	2.036	0	1	GEAF	
Cc1cncc(-c2cc3c(cn2)cnn3-c2cccc(N3CCNC[C@@H]3C)n2)n1	211056183	KTRUDSZOTYPXRK-HNNXBMFYSA-N	386.463	2.379	0	1	GEAF	
Cn1cncc1C(=O)N1CCN2C(=O)c3ccncc3[C@@]21c1ccc(Cl)cc1	299855693	BGOXVPRTHZXNJL-FQEVSTJZSA-N	393.834	2.281	0	1	GEAF	
CN(Cc1nc2cccc(C(N)=O)c2[nH]1)S(=O)(=O)c1ccc(Cl)cc1	586928648	HDMOCQZUBKGPBL-UHFFFAOYSA-N	378.841	2.136	0	1	GEAF	
Nc1nc(O)c2nc(-c3ccccc3OCC(=O)Nc3ccccc3F)[nH]c2n1	587155385	YBUBOFDVCCSGDG-UHFFFAOYSA-N	394.366	2.464	0	1	GEAF	
COc1cc2c3c(c1)O[C@@]1([C@@H]4CO[C@H]1CN(C(=O)OC(C)(C)C)C4)[C@@H](C2)C3=O	587443766	MAWDLHXUEHNDQD-KKGPORQOSA-N	387.432	2.447	0	1	GEAF	
CC(C)OC(=O)[C@H](Cn1ccnc1)NC(=O)c1nc2ccc(F)cc2s1	1772619309	NPYGXHJBDOCAQO-ZDUSSCGKSA-N	376.413	2.382	0	1	GEAF	
COC[C@@H](C)N=c1nc(-c2cccc(C(F)(F)F)n2)[nH]c(=N[C@H](C)C2CC2)[nH]1	1857649836	LUBVUPNBKHPQTK-GHMZBOCLSA-N	396.417	2.453	0	1	GEAF	
COc1cc2nc(N3CCC[C@H](NC(=O)c4ccco4)C3)[nH]c(=N)c2cc1OC	1857748654	KUSUAKLXHXASTN-LBPRGKRZSA-N	397.435	2.051	0	1	GEAF	
COC(=O)[C@]1(CO)C[C@@]23CCCN4CC[C@]5(c6ccccc6N(C)[C@]51CC2)[C@@H]43	2356721420	DLVUJHTUTZGNKC-QZUCXDRTSA-N	382.504	2.317	0	1	GEAF	
C[C@H]1CC(=O)N(CC(=O)NCc2ccc(F)cc2)c2ccccc2S1(=O)=O	6806596	SIOYQOLTYKNYTP-ZDUSSCGKSA-N	390.436	2.041	0	3	GEAF	
CCCS(=O)(=O)NC(=O)[C@]1(C)CCN(C(=O)c2oc3ccccc3c2C)C1	61927056	GUPYMJZVOWHFNY-LJQANCHMSA-N	392.477	2.449	0	3	GEAF	
O=C(NCC(F)(F)F)[C@@H]1C(=O)Nc2ccccc2C(=O)N1Cc1ccccc1	95565380	DAHVKDQZTAGDQI-OAHLLOKOSA-N	391.349	2.328	0	3	GEAF	
CC(C)OC(=O)[C@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OC(C)C)[C@@H]1c1cccc(O)c1	12661250	CAFOTFFMGDOWMH-WKRCXCSHSA-N	392.448	2.335	0	1	GEAF	
C[C@H](N[C@H](CCc1cccc2ccccc12)C(=O)O)C(=O)N1CCC[C@@H]1C(=O)O	26852108	CTHFSMGTKMPAKM-GDIGMMSISA-N	398.459	2.279	0	1	GEAF	
CC(=O)CC(=O)O[C@@H](C)CCCCC[C@@H]1C[C@@H]2CC[C@@H]3C[C@H](C)NC(=[N+]23)N1	33505340	PHRQNMKILBKKIK-NLNMYJFZSA-O	378.537	2.491	0	1	GEAF	
NC(=O)[C@H]1CCCN(c2ncc(C(=O)NCC3CC3)c(-c3ccccc3F)n2)C1	82151859	YOFVSYNMWGCUMZ-AWEZNQCLSA-N	397.454	2.124	0	1	GEAF	
CNC[C@@H]1Oc2ncc(-c3cccc(F)c3)cc2C(=O)N([C@@H](C)CO)C[C@@H]1C	95717210	PAPGUZKSUSUECO-NJSLBKSFSA-N	387.455	2.327	0	1	GEAF	
COCC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2Cc1ccc(OC)cc1	95893701	CKBNLVRAWLYVOG-URVUXULASA-N	382.460	2.017	0	1	GEAF	
Cc1ccc(NC(=O)[C@@H]2[C@@H]3C=C[C@@]4(CN(Cc5cccnc5)C(=O)[C@@H]24)O3)cc1F	169294007	MHLHARLAZLJYDT-JYLXEMOASA-N	393.418	2.450	0	1	GEAF	
CC[C@]1(C(=O)OC)N[C@@H](c2ccco2)[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]21	169294979	MFLOOZLIIRLPET-DICRZQGBSA-N	386.379	2.191	0	1	GEAF	
COC(=O)[C@@]1(C)N[C@@H](c2cccc(C)c2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21	169366209	HURDXSBWLXXHCS-QLDGJZPUSA-N	378.428	2.377	0	1	GEAF	
Cc1cncc(-c2cc3c(cn2)cnn3-c2cccc(N3CCNC[C@H]3C)n2)n1	224864505	KTRUDSZOTYPXRK-OAHLLOKOSA-N	386.463	2.379	0	1	GEAF	
CNS(=O)(=O)c1ccc(CCc2nc3c(Br)ccnc3[nH]2)cc1	586946654	NWEBCYNILUUCAL-UHFFFAOYSA-N	395.282	2.414	0	1	GEAF	
O=C(N[C@@H]1C[C@H](C(F)(F)F)CNC1=O)c1nn(-c2ccccc2)c2c1CCC2	618014031	KRKBKLQTTSUTLY-SMDDNHRTSA-N	392.381	2.158	0	1	GEAF	
CC(=O)[C@@H](Sc1ncccn1)[C@]1(C)N[C@H](C(=O)O)Cc2cc(F)ccc21	962897313	MERQNJHRYTYMBY-HDMKZQKVSA-N	375.425	2.180	0	1	GEAF	
CCOC(=O)c1cnc2c(c1)[C@]1(CCC2)N[C@H](C(=O)O)Cc2ccc(O)c(C)c21	963487756	CWCXNQLUACYLAW-JTSKRJEESA-N	396.443	2.451	0	1	GEAF	
CCO[C@]12[C@@H]3CC(=O)N4c5ccccc5[C@]5(CCN6CC(=CCO3)[C@H]1C[C@H]65)[C@H]42	2356427351	WZEMGGLCLHIQAS-KHHGUXELSA-N	378.472	2.252	0	1	GEAF	
CCCCNC(=S)N(CCCO)Cc1cc2cc3c(cc2[nH]c1=O)OCO3	4160447	JTYLXWQYVAEYFJ-UHFFFAOYSA-N	391.493	2.116	0	3	GEAF	
COc1ccc(C(=O)NC2CCN(S(=O)(=O)c3ccccc3F)CC2)cc1	4888755	KXQQGDWMXVVYOO-UHFFFAOYSA-N	392.452	2.417	0	3	GEAF	
COc1cc2c(cc1OC)[C@]13CCN4C[C@@H]5CCO[C@@H]6CC(=O)N2[C@@H]1[C@H]6[C@H]5C[C@H]43	253915801	BETNIDISFVHOSJ-HYRGKHGHSA-N	396.487	2.190	0	3	GEAF	
COc1ccc2c(c1)[C@@H](n1c(Br)nc3c(=O)[nH]c(N)nc31)CCC2	589856	RRLNEPXLPBWKEF-NSHDSACASA-N	390.241	2.399	0	1	GEAF	
CC(=O)N(C)C[C@@H]1[C@H](c2ccc(-c3cccnc3)cc2)[C@H](CO)N1C(=O)C1CC1	95871972	FDVJJZIWDWLSSN-FSSWDIPSSA-N	393.487	2.292	0	1	GEAF	
O=c1cc(OCc2ccc(F)cn2)ccn1-c1ccn2c3c(nc2c1)CCNC3	142046546	ARYZDECKMUTOBD-UHFFFAOYSA-N	391.406	2.244	0	1	GEAF	
CNC(=O)[C@H](NC(=O)c1cc(OCC(F)(F)F)c(C2CC2)cn1)C(C)(C)F	146605372	ZECUDEIGGOHWPV-ZDUSSCGKSA-N	391.365	2.493	0	1	GEAF	
Cn1c(=O)ccn(Cc2ccccc2OCC(=O)Nc2ccc(Cl)cc2)c1=O	299857637	OFLAFAABRXNORI-UHFFFAOYSA-N	399.834	2.266	0	1	GEAF	
COc1c(OS(=O)(=O)O)cc2occ(-c3ccc(O)cc3)c(=O)c2c1O	410428655	KUJUUJDSDSCNMZ-UHFFFAOYSA-N	380.330	2.061	0	1	GEAF	endogenous,in-man
COc1cc2c3c(c1)O[C@@H](c1cccc(OCc4nnnn4C)c1)[C@@H](C2)C3=O	587440371	YWBZXXFVRGLHKD-YWZLYKJASA-N	378.388	2.286	0	1	GEAF	
CCc1c(O)c(=O)ccn1CCCCCCCCOC(=O)CCC(=O)CN	1772571931	DQHATQWGTYQQLI-UHFFFAOYSA-N	380.485	2.308	0	1	GEAF	
C[C@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCC(=O)O	4111485	MIMWJUKLAANCKS-ZDUSSCGKSA-N	380.466	2.004	0	3	GEAF	
C[C@H](O)CN(C[C@H](C)O)c1ccc2nc(O)c(Cc3ccc(F)cc3)nc2n1	766742	JOUGJSXPBYZBBJ-STQMWFEESA-N	386.427	2.028	0	1	GEAF	
N[C@H](Cc1nc2cc(Cl)c(Cl)cc2cc1CP(=O)(O)O)C(=O)O	1542746	CMBVOEJJBZRBNH-SNVBAGLBSA-N	379.136	2.174	0	1	GEAF	
NCCCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCCc1ccc(O)cc1	27080949	ZERZJMSISFWJLY-NRFANRHFSA-N	395.503	2.133	0	1	GEAF	
C/C=C(\C)C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@@H](C)CO	82197097	DVZGHGCCBKFRTA-JBUXNLAGSA-N	388.508	2.069	0	1	GEAF	
COc1ccc(CCO)c(Nc2nc3ccccc3nc2NS(C)(=O)=O)c1	138193816	GOGLNMJTMYAKCA-UHFFFAOYSA-N	388.449	2.288	0	1	GEAF	
CN(CCO)C(=O)COc1ccc2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2	144824294	MFAJOCQARYZIDU-GOSISDBHSA-N	381.350	2.295	0	1	GEAF	
C/C=C(/C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@@]2(O)C[C@H]2CCC[C@H](C(=O)O)[C@@]12C	238748467	XZBCMOCFJJECSB-TZPNYEDISA-N	378.421	2.337	0	1	GEAF	
COc1cccc(OC)c1C(=O)Nc1c[nH]nc1C(=O)NCc1ccccn1	299822390	QMHDOQLIVAHCCU-UHFFFAOYSA-N	381.392	2.004	0	1	GEAF	
COc1ccc(S(=O)(=O)N[C@H](c2nc3cc(C)c(F)cc3[nH]2)[C@H](C)O)cc1	586937851	OARATWZKNWPNNC-GTNSWQLSSA-N	393.440	2.419	0	1	GEAF	
CC[C@@H](c1nc2c(O)ncnc2[nH]1)n1cc(I)c(C)n1	587185343	RZKIWWXIRJBYMU-QMMMGPOBSA-N	384.181	2.167	0	1	GEAF	
CC(C)(C)OC(=O)NC1(c2nc3c(O)nc(S)nc3[nH]2)CCC(O)CC1	587237286	QQPLETSMIPGAOH-UHFFFAOYSA-N	381.458	2.002	0	1	GEAF	
COC(=O)[C@@H]1CNCC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1	587349039	SWPZVQILKACCKI-CDXJDZJCSA-N	385.391	2.412	0	1	GEAF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)O)(c2csc(N)n2)N1	587852687	MWEVYRIABCWDEL-RWBAJPLHSA-N	386.246	2.489	0	1	GEAF	
CC(=O)N1CCC[C@@H](Oc2cncc(-c3cnc4c(c3)CCCN4C(N)=O)c2)C1	1772618688	SMFNQUMRBUIZKJ-GOSISDBHSA-N	395.463	2.365	0	1	GEAF	
O=S(=O)(c1ccccc1Cl)N1CCOc2c(N3CCNCC3)cccc21	3819423	WHIXWLIUVFFORR-UHFFFAOYSA-N	393.896	2.337	0	1	GEAF	
CCOc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCO)cc1	4039774	XFBHBBSZHPRHAZ-FPOVZHCZSA-N	397.475	2.352	0	1	GEAF	
CCCCNC(=O)[C@@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1cnccn1	4533591	ULULASVPKPBVJK-MJGOQNOKSA-N	382.464	2.193	0	1	GEAF	
CCNC(=O)NCCCc1nn(C)c2c1c(=O)c1cc(Cl)ccc1n2O	14959920	SFAZDAVEFHUJDU-UHFFFAOYSA-N	377.832	2.031	0	1	GEAF	
C[C@H](CS(C)(=O)=O)Nc1n[nH]c2nc(Oc3ccc(F)cc3F)ncc12	58638964	BIWWSRSPBBUSCN-MRVPVSSYSA-N	383.380	2.268	0	1	GEAF	in-vitro
O=C(O)c1cccn(C[C@@H]2CNCCO[C@H]2c2ccc(Cl)c(F)c2)c1=O	115733262	ZWRGVVZXUIQMGY-LRDDRELGSA-N	380.803	2.316	0	1	GEAF	
N[C@H](Cc1nc2cccc(S(N)(=O)=O)c2[nH]1)c1ccc(Br)cc1	586996767	KEZRINHRCDPEAS-LLVKDONJSA-N	395.282	2.215	0	1	GEAF	
COC(=O)c1ccc2nc(CNC(=O)[C@H](C)Oc3ccccc3)[nH]c2c1OC	587223347	COQQQVKGCZOTBU-LBPRGKRZSA-N	383.404	2.442	0	1	GEAF	
COc1ccc([C@]2(COCC(=O)O)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1	587439066	JDUWJZWLVJMVKX-IERDGZPVSA-N	384.384	2.448	0	1	GEAF	
COc1cc2c(cc1OC)C(=O)[C@H](C(=O)OC[C@H]1C[N@@]1Cc1ccccc1)C2	1857744123	CJCRSGVCWCGTRH-JTUHZDRVSA-N	381.428	2.486	0	1	GEAF	
Cc1nccc(C[C@H]2[C@@H](CO)[C@@H](O)C[C@H]2NCc2ccc(C(F)(F)F)cc2)n1	2356289343	UDLSABIBQSHRSF-MANSERQUSA-N	395.425	2.494	0	1	GEAF	
CN(C)CCN(C)CC[C@@H]1CN(C(=O)Cc2ccccc2)CC[C@H]1CC(=O)O	2356315376	SRNYPWZKMIFUME-VQTJNVASSA-N	389.540	2.052	0	1	GEAF	
CCOc1ccc2nc(N3CCC[C@@H]3C(=O)NCc3ccncn3)nc(C)c2c1	14966350	OWDJUZFPLCYGOY-LJQANCHMSA-N	392.463	2.412	0	1	GEAF	
COc1ccc(C(=O)N2CCN3C(=O)N(CCc4cccs4)C(=O)[C@@H]3C2)cc1	25430826	SRICHBGPMAOZQV-KRWDZBQOSA-N	399.472	2.088	0	1	GEAF	biogenic
CCSC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)Cc3ccccc3)C[C@H]2S1	26390344	UXESOUSSVIJOOH-WCQYABFASA-N	378.475	2.026	0	1	GEAF	
CCCCOCCOC(=O)CNC(=O)c1coc(-c2ccc3c(c2)OCO3)n1	82084943	XFYJNLQERIDQKO-UHFFFAOYSA-N	390.392	2.160	0	1	GEAF	
O=C(Cc1ccncc1)N1CCc2nc(-c3cc4ccccc4[nH]c3=O)[nH]c2C1	84617176	QRENFRHOPYZDOA-UHFFFAOYSA-N	385.427	2.441	0	1	GEAF	
COc1ccc(C(=O)NCCCN[C@H]2CCCc3[nH]c(=O)ccc32)cc1OC	95585634	HTYZDUJHLYRIMI-INIZCTEOSA-N	385.464	2.179	0	1	GEAF	
CC(C)NC(=O)Nc1ccc2c(c1)CC(=O)N(C)C[C@H](C)[C@@H](CN(C)C)O2	95661605	WMMFWTNLFGFEGR-KBXCAEBGSA-N	376.501	2.176	0	1	GEAF	
COC(=O)[C@H](C)N1C/C=C/COc2c(Cl)cc(Cl)cc2S1(=O)=O	169300408	AIZYLVODENQYBT-NWALNABHSA-N	380.249	2.494	0	1	GEAF	
CC[C@H]1OC(=O)[C@H](C)C(=O)[C@@]2(O)CO[C@@](OC)(C[C@@H](C)C/C(C)=C\[C@@]1(C)O)C2	238759941	JLVZVGQWWZKQQV-RTWIRETPSA-N	398.496	2.135	0	1	GEAF	
NS(=O)(=O)c1ccc(N2CCN=C2c2cccc(Br)c2)cc1	299828572	JVZZJPVPAWUURM-UHFFFAOYSA-N	380.267	2.363	0	1	GEAF	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H]1CCc2nncn2C1	587869730	NKYLEVFHRBOUBR-NSHDSACASA-N	392.341	2.467	0	1	GEAF	
Nc1cccc(C2=NN=C3C(F)=Cc4c(n(C5CC5)cc(C(=O)O)c4=O)N3C2)c1	1911573680	DCJPMUOCLUAUTR-UHFFFAOYSA-N	393.378	2.410	0	1	GEAF	
CC(=O)O[C@@H]1[C@H](O)[C@H](C(C)C)[C@]2(C)CC[C@]3(C)CC[C@H](O)C4=C3[C@@H](OC4=O)[C@H]12	2356445508	DJPDLYKJBRHWGX-ZQMYGTDKSA-N	392.492	2.364	0	1	GEAF	
C[C@]1(C(=O)NCC2CCOCC2)Cc2c(-c3cccc(C(N)=O)c3)ccnc2O1	61926607	YPPHLIOPAKVHRD-JOCHJYFZSA-N	395.459	2.084	0	3	GEAF	
O=C(NCCN1CCOCC1)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccsc1	766932	NESBXDFJAUCHLA-HKUYNNGSSA-N	385.489	2.288	0	1	GEAF	
COc1ccc(C2=NN(C(=O)CO[N+](=O)[O-])[C@@H](c3ccco3)C2)cc1OC	42990130	UQCLEAMRWSSSBZ-CYBMUJFWSA-N	375.337	2.183	0	1	GEAF	
CC[C@H]1[C@@H]2OC(=O)[C@@](C)(O)[C@@H]2[C@@]23CC[C@@H]([C@@H]4C[C@H](C)C(=O)O4)N2CCCC[C@H]13	70454818	SVSUKQDSRBZWNP-ASEVHZGESA-N	391.508	2.274	0	1	GEAF	biogenic,in-vitro
CCOC(=O)CN1CCN(c2ncc(C)c(NCc3ccc(F)cc3)n2)CC1	82203604	YEWOARYWOPUOIX-UHFFFAOYSA-N	387.459	2.221	0	1	GEAF	
C/C=C(\C)C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@H]1C(=O)NC[C@@H](C)O	82218856	UDWWWQSUAAMSMQ-LTWSDRPESA-N	388.508	2.069	0	1	GEAF	
CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN[C@H](C)CO2	95600606	NSJHBAKZFARZIY-IYOUNJFTSA-N	377.485	2.129	0	1	GEAF	
O=C1[C@H]2C=C(I)[C@H](C[C@@H]2OCCCCCCO)[C@@]12CO2	95785157	QFMSBBZGQQICDX-UHXUCMFUSA-N	392.233	2.231	0	1	GEAF	
O=C(NC[C@H]1[C@H](c2ccccc2)[C@@H](CO)N1Cc1cccnc1)c1ccccn1	95895958	SYVBQOCIBBMOLP-BDTNDASRSA-N	388.471	2.236	0	1	GEAF	
O=C(COC(=O)[C@@H]1[C@H]2C[C@@H]3OC(=O)[C@@H]1[C@@H]3C2)Nc1cccc(C(F)(F)F)c1	169293340	DCKLMBLLIHHFIH-JKRUQDRFSA-N	383.322	2.385	0	1	GEAF	
CO[C@H](C)[C@H]1[C@H]2C[C@H]3C4=Nc5ccccc5[C@]45C[C@@H]([C@H]2[C@H]5OC(C)=O)N3[C@@H]1O	253635016	XHABFDBTVXEZFH-DJAFAJRSSA-N	382.460	2.018	0	1	GEAF	
CC[C@H]1OCCC[C@@H]1c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1	586912258	NJUAPZSNBSWSMD-WMLDXEAASA-N	379.482	2.256	0	1	GEAF	
COC(=O)c1c(CC(=O)O)[nH]c([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C	587438442	OFTRATOGWNXFOT-GTJPDFRWSA-N	399.399	2.408	0	1	GEAF	
NC(=O)c1ccc(-n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)nn1	587657433	WSDHWNUCXSCVJN-UHFFFAOYSA-N	379.326	2.220	0	1	GEAF	
COc1cc([C@@H]2N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)c(OC)c(OC)n1	963225349	JWOGRGMWWVHRFU-AEFFLSMTSA-N	395.415	2.344	0	1	GEAF	
CS(=O)(=O)N1CCC([C@H](O)c2cncnc2Nc2cccc(F)c2)CC1	1772614145	HGJIZBYDINSKQU-INIZCTEOSA-N	380.445	2.064	0	1	GEAF	
O=S(=O)(c1ccc2c(c1)OCO2)N1CCC(n2nnc3ccccc32)CC1	1857652411	WYWPAOPLXXBUPG-UHFFFAOYSA-N	386.433	2.186	0	1	GEAF	
CC(=O)N[C@@H]1[C@H](c2ccccc2)N(C(=O)COc2ccccc2)CC[C@]1(C)O	2356288289	ADMDBDMTSNLYCR-BDTNDASRSA-N	382.460	2.295	0	1	GEAF	
O[C@H]1[C@H](n2cc(-c3ccccc3)cn2)[C@H]2OC[C@@H](O2)[C@@H]1NCc1ccccc1	2356319882	OTDDEKUWJXSDEK-CTWRKMMKSA-N	377.444	2.366	0	1	GEAF	
COC(=O)[C@@H]1[C@H](O)CC[C@@H]2C[C@H]3Cc4c([nH]c5ccc(OC)cc45)CN3C[C@@H]12	2356742298	IJSBYCUQBXKLMJ-DRWBMJEWSA-N	384.476	2.483	0	1	GEAF	
Cc1ccccc1CN1CCN(c2ncc(C(=O)N3CCN(C)CC3)s2)C1=O	205216013	SWNOVQMIEVHUDM-UHFFFAOYSA-N	399.520	2.281	0	3	GEAF	
COc1cc(C(=O)O)c2c(c1C)OC(=O)c1c(C)cc(O)c(C(O)O)c1O2	3984013	DZSLRPXYSOUCNV-UHFFFAOYSA-N	376.317	2.024	0	1	GEAF	biogenic,in-vitro
O=C(O)c1ccc(CCN2C(=O)CCN2CC[C@@H](O)Cc2ccccc2)cc1	28962053	JVPGVILOMSPMMY-HXUWFJFHSA-N	382.460	2.370	0	1	GEAF	
O=C1[C@@H]2CSCN2C(=O)N1CCCCNC[C@@H]1CCc2ccccc2O1	73258839	APPZMJDNMFQDTM-HOTGVXAUSA-N	375.494	2.087	0	1	GEAF	
O=C(NCC1CCOCC1)c1ccc(NC(=O)N2Cc3ccccc3C2)nn1	166775612	AOEIVOCLZPZEHN-UHFFFAOYSA-N	381.436	2.181	0	1	GEAF	
Cc1ccc(C(=O)COC(=O)[C@@H](C)N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)cc1C	169301227	KLTXDFMSUAOPBW-HSAPRAMBSA-N	381.428	2.225	0	1	GEAF	
CC/C(C)=C/C(=O)O[C@@H]1C=C(C(=O)OC)C[C@@H](OC(=O)/C=C(\C)CC)[C@@H]1O	238754312	DNOICGYKMBYMBW-VVIKSDSVSA-N	380.437	2.387	0	1	GEAF	
COc1ccc(-c2ccc(N)[n+]([O-])c2C)cc1S(=O)(=O)NC1CCCC1	473115272	RFYFFMHNFSBBBR-UHFFFAOYSA-N	377.466	2.107	0	1	GEAF	
C[C@H](C(=O)N1C=CN(c2cccc(C(F)(F)F)c2)CC1)N1C(=O)CCC1=O	473131281	NYBXHBDVVABIBK-GFCCVEGCSA-N	381.354	2.363	0	1	GEAF	
CC(=O)OC[C@@H]1C=C[C@H](n2cc(-c3cc(-c4ccccc4)on3)c(O)nc2=O)O1	474607702	JVXQCRNGVMJNCK-KBXCAEBGSA-N	395.371	2.288	0	1	GEAF	
CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2cnnc(O)c2[nH]1	586984984	RDAPEODGTVMNNY-NSHDSACASA-N	376.214	2.241	0	1	GEAF	
CCN1C(=O)N[C@@H]2C[C@H](C(=O)N[C@@H](c3nc(C)cs3)C3CC3)CC[C@H]2C1=O	618015466	WDWNMQJJWJUBIS-KBUPBQIOSA-N	390.509	2.375	0	1	GEAF	
NC(=O)c1c(-c2ccc(Oc3ccccc3)cc2)nn2c1NCC1(CNC1)C2	1772619670	ZJVKSIREIMYMQE-UHFFFAOYSA-N	375.432	2.456	0	1	GEAF	
C[C@@H](NC(=O)c1cc(-c2ccccc2)nn1C)c1ccc(S(N)(=O)=O)cc1	1857580313	CEQGIEBPVIOKCG-CYBMUJFWSA-N	384.461	2.226	0	1	GEAF	
COc1ccc(C(=O)Nc2ccnn2C2CCN(C(=O)[C@H]3CCOC3)CC2)cc1	15070419	QNWOYGNLPATUDL-INIZCTEOSA-N	398.463	2.344	0	3	GEAF	
N=C(N)c1ccc(CNC(=O)[C@H]2CCC[C@@H]2C(=O)NCc2ccccc2)cc1	13807981	YIJRRZFKFRHLOW-OALUTQOASA-N	378.476	2.320	0	1	GEAF	
CCOC(=O)Cc1cc(O)n2nc(NCc3ccc(OC(C)C)cc3)nc2n1	15668983	QWLPNRJEUTUQIZ-UHFFFAOYSA-N	385.424	2.335	0	1	GEAF	
O=C(N[C@H]1CCN2C(=O)N(c3ccc(F)cc3F)C(=O)[C@H]2C1)c1cccnc1	33862722	RYBZBNBDLUGUBF-XJKSGUPXSA-N	386.358	2.089	0	1	GEAF	biogenic
CCOc1ccccc1[C@@H]1CN(c2nc(-c3ccncc3)cc(=O)n2C)CCN1	34525338	SPBOCAARPDADTI-IBGZPJMESA-N	391.475	2.392	0	1	GEAF	
CC(=O)N1CCN(c2ncc(C(=O)N3CCCC3)c(-c3ccccc3)n2)CC1	82133059	USVIAYILSHOJPZ-UHFFFAOYSA-N	379.464	2.048	0	1	GEAF	
C[C@@]1(CCc2cccc(O)c2)Oc2cc3oc(CO)cc(=O)c3c(O)c2C[C@H]1O	85593593	GGHAEUOIFSGRPC-KNQAVFIVSA-N	398.411	2.384	0	1	GEAF	biogenic,in-vitro
COC(=O)[C@@]12C[C@@H]3C[C@H]([C@@H](C)O)[C@@H]1N(CCc1c2[nH]c2cc(OC)ccc12)C3	101013424	XGWIRMWTCWJZPG-CIGPEMQGSA-N	384.476	2.235	0	1	GEAF	
CCOC(=O)[C@@H]1CCCN(C(=O)Cn2ncc3c4cc(C)ccc4nc-3c2O)C1	102752941	HCVSKGSCZYSJFG-CQSZACIVSA-N	396.447	2.352	0	1	GEAF	
COCCCc1ccc2c(c1)[C@]1(N=C(N)N(C)C1=O)C1(CCC(OC)CC1)C2	201232971	ZSHKNUGFUFEMNT-JHJOLFGTSA-N	385.508	2.379	0	1	GEAF	
CCN(CC)CC(=O)N1CCC(n2cc(-c3nc[nH]c4nccc3-4)cn2)CC1	1857540910	HUPPNZLFDHFWHT-UHFFFAOYSA-N	381.484	2.278	0	1	GEAF	
C[C@H](c1ccccc1)c1ccc(C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)s1	1857581429	WEGAQZULQDYDAQ-OCCSQVGLSA-N	388.493	2.346	0	1	GEAF	
COC(=O)C[C@@]1(C(=O)OC)Oc2ccccc2C(=O)N1c1ccc(F)cc1F	12725884	RAWDCJGFCBMWPB-IBGZPJMESA-N	391.326	2.436	0	3	GEAF	
CC1CCN(CCCNC(=O)Cn2[nH]cc3c4ccccc4nc-3c2=O)CC1	15943236	LNPCSUYCJRMJLV-UHFFFAOYSA-N	381.480	2.068	0	3	GEAF	
C[C@]1(C(=O)NS(=O)(=O)C2CC2)CCN(C(=O)c2cc3ccccc3s2)C1	61905611	DEWDKLZELHIFLL-SFHVURJKSA-N	392.502	2.362	0	3	GEAF	
CCCS(=O)(=O)NC(=O)[C@]1(C)CCCN(C(=O)/C=C/c2ccccc2)C1	61925663	VECPRCRRRZJAJO-GNISGLHKSA-N	378.494	2.185	0	3	GEAF	
COc1cccc2c(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)CC3)c[nH]c12	3591462	WLXUTNUITKXLOB-UHFFFAOYSA-N	391.427	2.344	0	1	GEAF	
Cc1nc2ccccn2c1-c1ccnc(Nc2ccc(S(N)(=O)=O)cc2)n1	13538405	DLYVGVOGPLQZFG-UHFFFAOYSA-N	380.433	2.491	0	1	GEAF	
Nc1ncnc2c1ncn2CCOC[P@@]1(=O)Nc2cccc(F)c2CO1	28527166	BXLGWHJTULIGEH-SANMLTNESA-N	378.304	2.357	0	1	GEAF	
O=c1cnn(-c2ccc(S(=O)(=O)c3ccc(Cl)cc3)c(Cl)c2)c(=O)[nH]1	28762427	RDAJRYAREHKPRH-UHFFFAOYSA-N	398.227	2.060	0	1	GEAF	
COc1ccc([C@H](O)[C@@H](C)N2CCN(c3cccccc3=O)CC2)cc1OC	29562721	VHWWMFMKKRWURA-OPAMFIHVSA-N	384.476	2.308	0	1	GEAF	
CC[C@]12C=CCN3CC[C@]4(c5ccc(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)C1)[C@@H]32	33913799	WNKDGPXNFMMOEJ-UCBRCEGISA-N	398.503	2.100	0	1	GEAF	in-vitro
COc1ccc(-c2cc(NC(=O)CCCCN3CCC(C(N)=O)CC3)n[nH]2)cc1	84740986	QENDQZCSFXDDOX-UHFFFAOYSA-N	399.495	2.391	0	1	GEAF	
C/C=C/c1ccc([C@H]2[C@@H](CNC(C)=O)N(C(=O)Cc3cccnc3)[C@H]2CO)cc1	95895013	NGLDGHULOYFZMR-QVQKCHDMSA-N	393.487	2.149	0	1	GEAF	
COc1ncc(Nc2ncc([C@H](C)CO)cc2-c2nc(C)nc(N)n2)cc1F	113238322	JCDSCTRINIXUJR-SECBINFHSA-N	385.403	2.206	0	1	GEAF	
Nc1ccccc1NC(=O)CCCCCNC(=O)c1ccc(-c2nnn[nH]2)cc1	117588438	FPZGKCVDPXMAHL-UHFFFAOYSA-N	393.451	2.378	0	1	GEAF	
Cc1ncc(-c2noc([C@H]3CCCCN3C(=O)COc3ccccc3)n2)c(=O)[nH]1	145057484	NNCJXHMGZJBWOX-MRXNPFEDSA-N	395.419	2.261	0	1	GEAF	
CCOC(=O)[C@]1(c2ccc(OC)cc2)N[C@H](C(=O)O)Cc2ccc(O)c(C)c21	963492955	ULAVOOVSRRLOAC-HRAATJIYSA-N	385.416	2.115	0	1	GEAF	
CCn1ncc2c1CC[C@H](N=c1nc3c(-c4cccnc4OC)cccn3[nH]1)C2	1857637320	BUFSNNSUCQXNSC-HNNXBMFYSA-N	389.463	2.408	0	1	GEAF	
CCC[C@@H]1N=C2NC=CN=C2C(=O)N1NC(=O)c1cccc(C(F)(F)F)c1	1857641330	MDSSEWMOIFOKBX-GFCCVEGCSA-N	379.342	2.233	0	1	GEAF	
COCCN[C]1C=C(c2noc([C@@H]3CCCN3Cc3ccncc3)n2)C=CN1	2356809442	BESUFKCLZWHNFS-KRWDZBQOSA-N	381.460	2.027	0	1	GEAF	
O=C(Nc1ccn(CCCNC[C@H]2CCCO2)c(=O)n1)OCc1ccccc1	61936092	LTBRFUWZEHSCJY-QGZVFWFLSA-N	386.452	2.151	0	3	GEAF	
CCOC(=O)[C@@]12CC[C@@](c3c(C)cccc3C)(O1)C(C(=O)OC)=C2C(=O)OC	5832351	GLFYMSNFJDGJGI-SFTDATJTSA-N	388.416	2.267	0	1	GEAF	
CCN1CC[C@@]2(CCN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4CC)C2)C1	26378229	FQXFVKLBRRZUOX-HXUWFJFHSA-N	388.443	2.176	0	1	GEAF	
Cc1ccc(S(=O)(=O)NC[C@H]2C[C@H]3CCN2C[C@@H]3CN2CCCCC2)cc1	43527053	YHDOCKCHGWOQHE-HSALFYBXSA-N	391.581	2.470	0	1	GEAF	biogenic
C[C@@H]1CNCCN1c1cc(=O)n(C)c(COc2ccccc2C(F)(F)F)n1	45257761	XIFVRPRCVBESLU-GFCCVEGCSA-N	382.386	2.176	0	1	GEAF	
CC[C@@H](C)NC(=O)c1cnc(N2CCN(C(C)=O)CC2)nc1-c1ccc(F)cc1	82140882	KJGYAJHOROTYHN-CQSZACIVSA-N	399.470	2.480	0	1	GEAF	
C[C@H]1CNc2c(NC(=O)c3ccccc3)c(=O)n(Cc3ccc(F)cc3)c(=O)n21	82212640	MNMKGHFOMNJNFG-ZDUSSCGKSA-N	394.406	2.436	0	1	GEAF	
O=C(Nc1cccc(Cl)c1)N[C@@H]1CC[C@H](CCNC(=O)C2CC2)O[C@H]1CO	95904267	JUGQZOVOVDNIIT-ZACQAIPSSA-N	395.887	2.286	0	1	GEAF	
C[C@H]1C(c2ccc3c(c2)NC(=O)CO3)=C(c2ccc(F)cc2)C(=O)N1CCO	96283366	DUZYYZCQMINTFP-LBPRGKRZSA-N	382.391	2.290	0	1	GEAF	
COC[C@H]1CN[C@H](C)CN1CC(=O)N1CC(C)(C)c2cnc(CC(C)C)cc21	205479233	MIGMYZOQSOKYEJ-SJLPKXTDSA-N	388.556	2.213	0	1	GEAF	
N#Cc1c(N)ncnc1N1CCC[C@H]1c1nn2cccc2c(=O)n1-c1ccccc1	205604120	QOGPJIWCEKLLOE-INIZCTEOSA-N	398.430	2.071	0	1	GEAF	
CN(C)C(=O)c1ccc2nc(-c3nccnc3I)[nH]c2c1	587186096	GKDRHLDZNGXXDQ-UHFFFAOYSA-N	393.188	2.326	0	1	GEAF	
C[C@H](CCc1ccccc1)NC(=O)C[C@@H]1C(=O)N[C@H](c2ccccn2)N[C@@H]1C	618014177	JBZLZGCJZKLIRS-KALAIVBUSA-N	380.492	2.332	0	1	GEAF	
CCOc1cccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCO)c1	4041344	XSNYQQWLIVPHKM-TZIWHRDSSA-N	397.475	2.352	0	1	GEAF	
CC1CCC(NC(=O)c2cc3cccnc3n(CCN3CCOCC3)c2=O)CC1	40878087	PTUSEGDNDWRYFF-UHFFFAOYSA-N	398.507	2.037	0	1	GEAF	
O=S(=O)(NCCCCCN1CCOCC1)c1cccc(Br)c1	71329137	RUKOWZDTTYZPTA-UHFFFAOYSA-N	391.331	2.230	0	1	GEAF	
O=C(C1CCC1)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)Cc1ccccn1	95893498	QWGSTTYRPHGXAL-URVUXULASA-N	391.471	2.126	0	1	GEAF	
CC(C)(CS(=O)(=O)c1ccccc1)c1ccc(Cn2ccc(=O)[nH]c2=O)cc1	96172809	UWHRRVSNZNHNJA-UHFFFAOYSA-N	398.484	2.336	0	1	GEAF	
CC[C@H](NC(=O)c1ccc(NC(=O)N2Cc3ccc(F)cc3C2)cc1)C(N)=O	166840963	HHOZBCLRRVOAHF-KRWDZBQOSA-N	384.411	2.367	0	1	GEAF	
CO[C@@H](C)[C@H]1[C@H]2C[C@H]3C4=Nc5ccccc5[C@]45C[C@@H]([C@H]2[C@@H]5OC(C)=O)N3[C@@H]1O	194828299	XHABFDBTVXEZFH-GWSFJERQSA-N	382.460	2.018	0	1	GEAF	
C[C@H](C1CCC1)N1CC[C@]23CC(=O)CC[C@@]2(O)[C@H]1Cc1ccc(C(N)=O)c(O)c13	220071197	JWIGXHPEGWQVAB-HUDPDHSWSA-N	398.503	2.032	0	1	GEAF	
COC(=O)CC1(CC(=O)OC)N[C@H](C)Cc2ccc(F)c(Br)c21	587812438	ZGDVHSKHXGJILG-SECBINFHSA-N	388.233	2.444	0	1	GEAF	
CC[C@@H](N[C@@H](C)CC(N)=O)c1ccc(OC)c(C(=O)c2ccc(N)nc2)c1F	1772636564	FNGJJGZCGUYJBD-SMDDNHRTSA-N	388.443	2.347	0	1	GEAF	
NCc1ccc(-c2ccc(N3C[C@H](Cn4cc(CN)nn4)OC3=O)cc2F)cc1	1857755804	AQHGFQXYTHVDHZ-KRWDZBQOSA-N	396.426	2.027	0	1	GEAF	
N=c1[nH]c2cc(-c3ccccc3)cc(CC(=O)O)c2c(=O)n1C[C@@H]1CCCO1	1857758077	AOUAEGGOIGVXEL-INIZCTEOSA-N	379.416	2.282	0	1	GEAF	
O=C(C[C@H]1C(=O)NCCN1CC1CCCCC1)NCc1ccc(F)cc1F	11934247	CFELJVXJCHXAFB-SFHVURJKSA-N	379.451	2.352	0	3	GEAF	
COc1cccc2c1N[C@]1(C)c3cc4c(cc3-n3nncc3CN1C2=O)OCO4	206036861	VHPVFRYPFJSUCO-FQEVSTJZSA-N	391.387	2.259	0	3	GEAF	
O=P(O)(O)C(O)(Cc1cccc(-c2ccc(F)c(F)c2)c1)P(=O)(O)O	13673786	OWCDAIMLHHDXIK-UHFFFAOYSA-N	394.203	2.176	0	1	GEAF	
c1ccc(CNc2cnc3c(N4CCCC4)nc(N4CCNCC4)nc3n2)cc1	13782041	JIPLNBVEHKNSJL-UHFFFAOYSA-N	390.495	2.042	0	1	GEAF	
O=C(O)C(=C1OCOC1=C(C(=O)NCCO)c1ccccc1)c1ccccc1	14826830	QJWXHSZIFLBCKC-UHFFFAOYSA-N	381.384	2.006	0	1	GEAF	biogenic
CCOC(=O)N1CCC2(CC1)OC(=O)C(C)=C2C(=O)NCc1ccc(F)cc1	20531892	QUTOBVXUHAURQB-UHFFFAOYSA-N	390.411	2.306	0	1	GEAF	
CCN(CC)C(=O)[C@@H]1CCCN(c2nc(N)c3cc(OC)c(OC)cc3n2)C1	25964976	GQIQCCMFUWIPKY-CYBMUJFWSA-N	387.484	2.314	0	1	GEAF	
CCCCC(=O)NN1N[C@H](c2ccc(N)cc2)c2cc3c(cc2CC1=O)OCO3	27523430	LSMSLRZPQACVGQ-OAQYLSRUSA-N	396.447	2.198	0	1	GEAF	
CCOC(=O)Cn1c(=O)n(Cc2ccccc2)s/c1=N\C(=O)c1ccccc1	29124317	JZKYEFMOFUUBPN-VZCXRCSSSA-N	397.456	2.064	0	1	GEAF	
CC(=O)N1CCC[C@H](c2cccnc2OC2CN(C(=O)c3cc(C)c[nH]3)C2)C1	96168894	MXSYXRSKPCMSAD-INIZCTEOSA-N	382.464	2.347	0	1	GEAF	
N[C@H](C(=O)N1CCSC1)[C@H]1CC[C@H](NC(=O)c2ccc(F)c(F)c2)CC1	100770641	XQBOWELYOBLTAR-GHJWDPDVSA-N	383.464	2.114	0	1	GEAF	
COCCCN1C(=O)C(=O)[C@@H](C(=O)c2ccccc2)[C@H]1c1ccc2c(c1)OCO2	169687220	JGZAMESHNCVTQP-RTBURBONSA-N	395.411	2.403	0	1	GEAF	
Cc1cc(F)c2[nH]c(CNS(=O)(=O)c3ccc4c(c3)OCCO4)nc2c1	586942041	QIARMHPBHNONOK-UHFFFAOYSA-N	377.397	2.260	0	1	GEAF	
CNS(=O)(=O)N1CCC(c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)CC1	586954215	DEWFUTTWJZOALI-UHFFFAOYSA-N	380.367	2.364	0	1	GEAF	
O=C1C[C@H](Cc2nc3c(O)ncnc3[nH]2)c2c(Br)cccc2O1	587003583	MPFSMJVIEWWVFS-ZETCQYMHSA-N	375.182	2.456	0	1	GEAF	
COC(=O)[C@H](C[C@@]1(c2cccnc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3)N=O	587436324	NVXZSVFQRJXXSD-SIFCLUCFSA-N	382.372	2.431	0	1	GEAF	
CC(C)(C)OC(=O)N1CCOC[C@H]1[C@H]1CCc2cc3c(O)nc(O)nc3nc21	587556579	BFWMLXVNIKHGLJ-YPMHNXCESA-N	388.424	2.102	0	1	GEAF	
Nc1ncnc2c1ccn2[C@@H]1C[C@H](CCc2ccc3cccnc3c2)[C@@H](O)[C@H]1O	1857541037	XINDTHWOOIIELL-OBZTUIKSSA-N	389.459	2.477	0	1	GEAF	
NS(=O)(=O)C[C@H]1COc2cc(F)ccc2N1C(=O)c1ccc2cc[nH]c2c1	1857544289	WWTZCUBJPLJNNS-CQSZACIVSA-N	389.408	2.003	0	1	GEAF	
Cn1cc(CN2CCC(c3cnn(-c4nccc5c(O)ncnc45)c3)CC2)cn1	1857577960	JJUBVVYZQHPFMF-UHFFFAOYSA-N	390.451	2.029	0	1	GEAF	
CC(=O)c1ccc(S(=O)(=O)N2C(=O)NC(=O)[C@]23CCCc2ccccc23)cc1	1857592439	JAVDYLNBJZIQBH-HXUWFJFHSA-N	398.440	2.362	0	1	GEAF	
COc1ccccc1COC1CN(S(=O)(=O)c2ccc3c(c2)OCO3)C1	1857774757	CCOOXICNLVHZLS-UHFFFAOYSA-N	377.418	2.014	0	1	GEAF	
O=C(Nc1cccc(F)c1)N[C@@H]1[C@H]2CO[C@@H](O2)[C@@H](n2cnc3ccccc32)[C@H]1O	2356296109	KLNOHYONKDXGIH-GFEQUFNTSA-N	398.394	2.023	0	1	GEAF	
COC(=O)[C@@]12C[C@H]3CN(CCc4c1[nH]c1ccc(OC)cc41)[C@H]2C[C@@H]3[C@@H](C)O	2356491868	RGMOJRSLENXIRX-HHROJECBSA-N	384.476	2.235	0	1	GEAF	
Cc1ccn(CC(=O)N2CCC[C@H](N3CCN(c4ccccc4F)CC3)C2)n1	55132804	KJGZGLFUJSMAFV-SFHVURJKSA-N	385.487	2.144	0	3	GEAF	
O=C(N[C@H]1CCN2C(=O)N(c3ccc(F)cc3F)C(=O)[C@@H]2C1)c1cccnc1	3841276	RYBZBNBDLUGUBF-BBRMVZONSA-N	386.358	2.089	0	1	GEAF	biogenic
O=C(c1ccc2ncnc(NCc3ccc4c(c3)OCO4)c2c1)N1CCOCC1	12360815	LLMQNBBPZAZFDB-UHFFFAOYSA-N	392.415	2.443	0	1	GEAF	
COc1ccc(-c2oc3c(OC)c(O)c(OC)c(O)c3c(=O)c2O)cc1O	15271758	BWMPBUKVVAIQMC-UHFFFAOYSA-N	376.317	2.308	0	1	GEAF	biogenic
C[C@H]1C[C@]2(S(=O)(=O)c3ccccc3)ON1C[C@@H]2S(=O)(=O)c1ccccc1	17190000	FKVMUDUSITZBLP-JCGIZDLHSA-N	393.486	2.039	0	1	GEAF	
CN1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn([C@H]4C[C@@H]4F)c3c2F)CC1	27088807	CRRCJBNQFFUWNT-AAEUAGOBSA-N	381.354	2.013	0	1	GEAF	
CN(C(=O)NCC(=O)Nc1ccccc1)[C@H](CN1CC[C@H](O)C1)c1ccccc1	28704917	WSFQCNYXQWFYJC-VQTJNVASSA-N	396.491	2.074	0	1	GEAF	
O=C(NC1CCCCCC1)c1cc2cccnc2n(CCN2CCOCC2)c1=O	40401747	UKRJUUUJFSJSEM-UHFFFAOYSA-N	398.507	2.181	0	1	GEAF	
COC(=O)CCCNC[C@@H]1CCN(C(=O)Nc2ccc(COC(C)=O)cc2)C1	64448274	VNVUDYZVJJIEOC-KRWDZBQOSA-N	391.468	2.146	0	1	GEAF	
CC1=C(Sc2cccc(C(F)(F)F)c2)[C@H](COCCO)C(=O)NC1=O	102809881	PRHGIYDCDMLXHN-LBPRGKRZSA-N	375.368	2.353	0	1	GEAF	
NC(=O)c1ccc(NC[C@]2(C(=O)Nc3ccccc3)CCNC2)c2cccnc12	143705515	STHYEXZXVZBDIN-QFIPXVFZSA-N	389.459	2.364	0	1	GEAF	
NC(=O)c1cccc(Nc2ncnc(N3CC(Oc4ccc(F)cc4)C3)n2)c1	230510683	MJBJUMRKXIHKMK-UHFFFAOYSA-N	380.383	2.121	0	1	GEAF	
CCC(=O)O[C@@H]1[C@H](OC(C)=O)C=C(C(=O)OC)C[C@H]1OC(=O)C[C@@H](C)CC	238763627	YFKOHXYZUOKJHH-WMNQNFFBSA-N	384.425	2.091	0	1	GEAF	
C[C@@]1(CS(C)(=O)=O)N[C@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21	963175977	HGFNTQRVIJDJLN-AAEUAGOBSA-N	385.791	2.218	0	1	GEAF	
O=C1[C@@H]2Cc3nc[nH]c3[C@@](c3ccc(F)c(F)c3)(C3CC3)N2C(=O)[C@@H]2CCCN12	963209092	VTFPUMIIGIPXED-FIKGOQFSSA-N	398.413	2.099	0	1	GEAF	
CO[C@H](C)CN(CCc1ccc(Cl)cc1)C1CCN(c2nc(=N)[nH][nH]2)CC1	1857543861	MUXFIGHAJRPNFA-CQSZACIVSA-N	392.935	2.419	0	1	GEAF	
Cc1ccccc1CN1CCN(c2cnnc(O)c2C2CCOCC2)CC1=O	1857596987	ZSESKFHNSMTOBD-UHFFFAOYSA-N	382.464	2.233	0	1	GEAF	
F[C@H]1CN(Cc2ccc3c(c2)OCCO3)C[C@@H]1OCc1nc2cccnc2[nH]1	2356302040	KMABUUNEMHFZJJ-KSSFIOAISA-N	384.411	2.468	0	1	GEAF	
O=C(Nc1ccc(-n2cnnn2)cc1)[C@H]1CCCN1C(=O)NC1CCCCC1	1379361	FLTKEMQAHQWTOK-QGZVFWFLSA-N	383.456	2.108	0	3	GEAF	
CCOC(=O)c1c(SC)nn2c(=O)n(-c3ccccc3C(F)(F)F)nnc12	35245063	ZSZWVRFTIBZDIF-UHFFFAOYSA-N	399.354	2.193	0	1	GEAF	
O=S(=O)(c1ccc2c(c1)CCNCC2)N1CC(Oc2ccccc2Cl)C1	40956376	XEGCYPFNZWBXQK-UHFFFAOYSA-N	392.908	2.480	0	1	GEAF	
O=C(NC[C@H]1C[C@H]2CCN1C[C@@H]2CN1CCCCC1)c1ccc2c(c1)OCO2	43527048	LLXQRFYOYHIWER-NZSAHSFTSA-N	385.508	2.341	0	1	GEAF	biogenic
C[C@H](O)CN(Cc1cccc2ccccc12)c1cc(N2CCOCC2)[nH]c(=O)n1	95552506	ITYRDLOSIWZNFA-INIZCTEOSA-N	394.475	2.147	0	1	GEAF	
O=C(C[C@H]1CC[C@@H](NC(=O)C2CCC2)[C@H](CO)O1)NCc1ccccc1Cl	95905107	DLKBRBFAHGAPTH-NXHRZFHOSA-N	394.899	2.171	0	1	GEAF	
COCCCn1ccc2cnc([C@@H](C)N(C(=O)[C@H]3CNCCO3)C3CC3)cc21	220206523	MUZLZHCBFFQFFL-FOIQADDNSA-N	386.496	2.113	0	1	GEAF	
C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cccc(OC(F)(F)F)c2[nH]1	586938498	KDDFAUUJSLRUNM-QMMMGPOBSA-N	389.359	2.235	0	1	GEAF	
CNS(=O)(=O)c1cc(-c2nc3cc(-c4ccc(N)c(N)c4)ccc3[nH]2)n(C)c1	586947589	UXXDJNLWYPUDGO-UHFFFAOYSA-N	396.476	2.308	0	1	GEAF	
COc1cc(Br)cc(C=O)c1OCc1nc2c(N)ncnc2[nH]1	586980089	IEPSBGUNNRYKCN-UHFFFAOYSA-N	378.186	2.098	0	1	GEAF	
CN(Cc1nc2cc(C(=O)O)c(F)cc2[nH]1)S(=O)(=O)c1ccc(F)cc1	587169380	CHHBVYXVQNLDHU-UHFFFAOYSA-N	381.360	2.360	0	1	GEAF	
NC(=O)c1cccc(C[C@H](N)c2nc3ccc(Br)c(O)c3[nH]2)c1	587259862	NMFKDEGZIYTHAL-NSHDSACASA-N	375.226	2.372	0	1	GEAF	
Cc1[nH]nc(O)c1[C@@H](c1cccc(Br)c1)c1c(O)nc(O)nc1O	653762981	SLSYBVQTOYCNOH-SNVBAGLBSA-N	393.197	2.273	0	1	GEAF	
CC1=C[C@H](CNC(=O)CCC(=O)O)[C@@H](C(C)C)C[C@H]1CC(=O)N1CCOCC1	2356300203	BOUGRSVKBOWMFJ-RCCFBDPRSA-N	394.512	2.071	0	1	GEAF	
CC=C1CN2[C@H]3C[C@]45c6cc(OC)c(OC)cc6N[C@@]4(O3)[C@H]2C[C@H]1[C@@H]5C(=O)OC	2356567941	CRKDVBVOAIRDNW-SGEJSFPDSA-N	398.459	2.263	0	1	GEAF	
C[C@H]1CN(C(=O)c2ccccc2)CCN1S(=O)(=O)c1c[nH]c2ncccc12	28826928	ICLFAMDXSMSQGX-AWEZNQCLSA-N	384.461	2.098	0	1	GEAF	
CNS(=O)(=O)c1ccc(Oc2ccc([S@@](C)=O)cc2)c(CN(C)C)c1	40846071	ROTSFLNCGRVNJJ-DEOSSOPVSA-N	382.507	2.186	0	1	GEAF	
Cc1nc(N)sc1C(=O)N1CCC[C@@H](c2nccn2CCCN(C)C)C1	95524724	HFNMHQMIQONYDU-CQSZACIVSA-N	376.530	2.202	0	1	GEAF	
O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2CC2CCCCC2)O1)NCC1CC1	95885628	BDMSGZPXHUILRR-IVAOSVALSA-N	394.556	2.092	0	1	GEAF	
COc1cc(F)ccc1[C@@H]1CN(c2nc(-c3ccncc3)cc(=O)n2C)CCN1	116775166	RPIKXGUGTPFFLU-SFHVURJKSA-N	395.438	2.141	0	1	GEAF	
Cc1cc(C)nc(N2C[C@@H]3CN(C(=O)c4cccc5c4OCCCO5)C[C@H]3C2)n1	116826305	AEZSHLMXEAFMHO-IRXDYDNUSA-N	394.475	2.463	0	1	GEAF	
CCOc1ccccc1OC(=O)c1ccc2c(c1)S(=O)(=O)NCN2CC	169325223	BSRKACUUCPGGTQ-UHFFFAOYSA-N	376.434	2.380	0	1	GEAF	
Cc1ncc(C)n2nc(CCc3nc(N4CCC[C@@H]4C(F)(F)F)nn3C)nc12	210599450	BTWCREFIXUNEPO-GFCCVEGCSA-N	394.405	2.186	0	1	GEAF	
O=C(O)Cc1cc2c(O)nc(O)nc2nc1-c1cc(Br)ccc1O	587365417	CQZPDBQWRMGNOI-UHFFFAOYSA-N	392.165	2.198	0	1	GEAF	
CCOc1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OCC(N)=O	587433475	QVFIQHGAZIMWIC-SPLOXXLWSA-N	383.400	2.447	0	1	GEAF	
O=C1NC(=O)C2(CCC3(CC2)Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)N1	587597201	UEUUDXQSCKALCI-VUZGARFFSA-N	394.383	2.245	0	1	GEAF	
COC(=O)[C@]1(c2c[nH]c3ccc(F)cc23)N[C@H](C(=O)O)Cc2ccc(O)c(C)c21	963512487	WQIBZIVPKUMAEA-HRAATJIYSA-N	398.390	2.337	0	1	GEAF	
Cc1ccc2c(c1)cc([C@H]1CC(c3ccccn3)=NN1C(N)=S)c1nnnn12	1857560712	PBLRJMPHSRXSKB-QGZVFWFLSA-N	388.460	2.376	0	1	GEAF	
O=C(Cc1ccc(Cl)c(Cl)c1)N1CCO[C@@H]2CNC[C@H](N3CCCC3)[C@H]21	1857755666	JMSHYBARLFGBPR-YQVWRLOYSA-N	398.334	2.200	0	1	GEAF	
COc1ccc2c3c([nH]c2c1)[C@@H]1C[C@@H]2[C@H](C[C@H](O)[C@H](OC)[C@H]2CO)CN1CC3	253978907	YCLAQLTVHNAEEQ-IQZRDWBWSA-N	386.492	2.100	0	3	GEAF	
COc1c(N2CCC[C@@H](CN)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12	3800472	ICFGYVJRNMOGGS-NSHDSACASA-N	389.427	2.357	0	1	GEAF	
Cc1ccc(N2C(=O)N[C@@H]3CCN(C(=O)c4ccc(N(C)C)cc4)[C@@H]3C2=O)cc1	3841807	JBSVWMNIEUVCEO-MOPGFXCFSA-N	392.459	2.401	0	1	GEAF	biogenic
CC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1	4296117	QERMCNMDQTUPII-POAQFYNOSA-N	394.537	2.206	0	1	GEAF	
CNC(=O)CNC[C@@H]1CCCc2cc(S(=O)(=O)c3cccc(F)c3)ccc21	49037190	BFTGZENXFFDRLJ-HNNXBMFYSA-N	390.480	2.414	0	1	GEAF	
COc1cccc([C@H]2[C@H](C(=O)c3ccc(C)o3)C(=O)C(=O)N2CCCN(C)C)c1	110754953	SURLSKDZECACTH-MOPGFXCFSA-N	398.459	2.500	0	1	GEAF	
O=C1N[C@H](CN(Cc2ccccc2)C(=O)/C=C/c2ccco2)N[C@H]2CCS[C@H]12	618015482	VPDACGCWANEWEF-APGBAIEXSA-N	397.500	2.241	0	1	GEAF	
O=C1CCc2c(cccc2N2CCN(C[C@H](O)CNc3ccccc3)CC2)N1	1857543769	YGOGCBBFVDZKOH-GOSISDBHSA-N	380.492	2.166	0	1	GEAF	
C[C@@H](N=c1nc(O)c2cnn(C3CCCC3)c2[nH]1)C(=O)Nc1ccc(F)nc1	1911581094	FHTMFLBZSIHABM-SNVBAGLBSA-N	385.403	2.042	0	1	GEAF	
CC=C1CN2[C@H]3C[C@@]45c6cc(OC)cc(OC)c6N[C@@]4(O3)[C@H]2C[C@H]1[C@H]5C(=O)OC	2356382794	OCJLZJDDQJQQPJ-UEEWVGGBSA-N	398.459	2.263	0	1	GEAF	
CCOC(=O)C1=CN(CC)S(=O)(=O)N[C@H]1c1ccc(C(F)(F)F)cc1	61958837	MLNYTMJOORMWDW-ZDUSSCGKSA-N	378.372	2.363	0	3	GEAF	
Cc1cccc(CN2CCN([C@H]3CN(C4CCCC4)S(=O)(=O)C3)CC2)c1	72104228	MXVKJVOYGJEBRO-FQEVSTJZSA-N	377.554	2.069	0	3	GEAF	
C[C@H](NC(=O)[C@@]1(Cc2ccccc2)CCN1C(=O)OCc1ccccc1)C(N)=O	28471256	WJMNYZMSFOBXQL-AOMKIAJQSA-N	395.459	2.000	0	1	GEAF	
O=c1[nH]c2cscc2c(=O)n1CCN1CCN(c2ccc(Cl)cc2)CC1	29471578	SANZDBRFSLRMNI-UHFFFAOYSA-N	390.896	2.227	0	1	GEAF	
Cn1cc(Nc2ncc(C(F)(F)F)c(N[C@H]3[C@@H](C(N)=O)[C@@H]4C=C[C@H]3C4)n2)cn1	84688249	ZRQVUHCWSMAPRC-FIDNZITISA-N	393.373	2.060	0	1	GEAF	
COc1ccc(CN2Cc3cc(OC)c(OS(N)(=O)=O)cc3C[C@H]2C)cc1	84712088	OHGVAKYXNZTDPQ-CYBMUJFWSA-N	392.477	2.233	0	1	GEAF	
CC(C)NC(=O)N1[C@H](CO)[C@@H](c2ccccc2)[C@@H]1CN(C)C(=O)c1cccnc1	95894972	GJAZMKMKHGOQQI-ZCNNSNEGSA-N	396.491	2.101	0	1	GEAF	
Cn1c(O[C@@H]2CCCN(c3cccc(F)c3)C2)nc(-c2ccncn2)cc1=O	198757595	MEBQODRDOMAEDN-MRXNPFEDSA-N	381.411	2.424	0	1	GEAF	
O=C1N[C@]2(C[C@H]3CC[C@H]2C3)C(=O)N1S(=O)(=O)c1ccc(Br)cc1	299844844	YCVAWGNSWGLQHV-YHAQOWFVSA-N	399.266	2.248	0	1	GEAF	
O=C1NC(=O)[C@@]2(CC[C@H]3[C@@H]4Cc5ccc(O)cc5[C@]3(CCN4CC3CC3)C2)N1	473210135	DNESVBVDIIHDKK-BYZLFZLASA-N	381.476	2.049	0	1	GEAF	
CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3c(O)nc(O)nc3[nH]2)cc1	587040702	RNXISOJLMRDRNJ-NSHDSACASA-N	387.421	2.051	0	1	GEAF	
COc1cccc2nc(-c3nn(C)c(C(=O)O)c3I)[nH]c12	587180051	CPQLGYHJJSXCGF-UHFFFAOYSA-N	398.160	2.275	0	1	GEAF	
COC(=O)c1ccc2nc(C[C@H](NC(=O)OCc3ccccc3)C(=O)O)[nH]c2c1	587201678	ASPUKDZQBAYTSJ-INIZCTEOSA-N	397.387	2.272	0	1	GEAF	
COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2ccc(S(C)(=O)=O)cc2[nH]1	587231521	XTUIGQWLOBUAKC-ZIAGYGMSSA-N	379.482	2.003	0	1	GEAF	
CCc1ccc(Cc2cc3c(cc2Cl)O[C@@H]2[C@H]3O[C@H](CO)[C@@H](O)[C@@H]2O)cc1	1857751283	KRQAJVHJHNSBPW-MJCUULBUSA-N	390.863	2.408	0	1	GEAF	
COc1cc(=O)oc2cc(OCCCN3CCN(c4ncccn4)CC3)ccc12	13486995	RVWBSEDETCKVHN-UHFFFAOYSA-N	396.447	2.183	0	1	GEAF	
O=C(Nc1nnn[nH]1)c1ccc2nc3sc(-c4ccccc4)cc3c(=O)n2c1	27989762	BRZXAPODMPVCSK-UHFFFAOYSA-N	389.400	2.342	0	1	GEAF	
O=C([C@H]1CCNC1)N1CCN(CCNc2ccnc3cc(Cl)ccc23)CC1	29212676	AYWYNVNJQQACQS-HNNXBMFYSA-N	387.915	2.054	0	1	GEAF	
CC(C)n1cc([C@]2(c3ccc(F)c(-c4cncnc4)c3)N=C(N)N(C)C2=O)cn1	72183224	VGIXLLYAMZATOQ-FQEVSTJZSA-N	393.426	2.090	0	1	GEAF	
Cc1cnc(N2CCC(C(N)=O)CC2)nc1NCCCN(C)c1ccccc1	82203977	QGKTZXZXVQNQJH-UHFFFAOYSA-N	382.512	2.425	0	1	GEAF	
O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2CC2CCCCC2)O1)NCC1CC1	95885630	BDMSGZPXHUILRR-MXEMCNAFSA-N	394.556	2.092	0	1	GEAF	
O=C(Cc1cccnc1)N1[C@H](CNCC2CCC2)[C@H](c2ccccc2)[C@@H]1CO	95895774	SGKWCGWZPXXLRV-GIWBLDEGSA-N	379.504	2.369	0	1	GEAF	
CO[C@@]12C=C[C@@]3(C[C@@H]1N)[C@H]1Cc4ccc(O)c5c4[C@]3(CCN1CC1CC1)[C@H]2O5	100687160	SFHODFBNMSLERZ-WGONTRSLSA-N	380.488	2.104	0	1	GEAF	
CC[C@@H]1C2=C3N(CCCC2)[C@H]([C@@H]2C[C@H](C)C(=O)O2)C[C@@]32OC(=O)[C@H](C)[C@@H]2[C@@H]1O	257379556	AQNPGXKKPJKNFG-NIPIUZKKSA-N	389.492	2.399	0	1	GEAF	
CN(C)S(=O)(=O)c1ccc2[nH]c(-c3cccnc3SCC(=O)O)nc2c1	586967761	DFLXKCAJRGDJMP-UHFFFAOYSA-N	392.462	2.052	0	1	GEAF	
C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCN(S(C)(=O)=O)CC2)N1	587842356	USTPCIVNBTVZTL-SNVBAGLBSA-N	391.306	2.373	0	1	GEAF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)O)(c2csc(N)n2)N1	587852686	MWEVYRIABCWDEL-RCNPXXIZSA-N	386.246	2.489	0	1	GEAF	
Cc1ccc(Nc2ncncc2[C@@H](O)C2CCN(S(C)(=O)=O)CC2)cc1	1772640822	BFABGZAJXQTMET-KRWDZBQOSA-N	376.482	2.234	0	1	GEAF	
CN(C)[C]1N=C(N(c2ccccc2)c2ccccc2)N=C(N2CCOCC2)N1	2356315857	NZRJSSXADMALGH-UHFFFAOYSA-N	377.472	2.481	0	1	GEAF	
OC[C@@H]1[C@H](O)C[C@@H](NCc2cccnc2)[C@@H]1Cc1ccnc(-c2ccccc2)n1	2356522988	BSIFVSBEJPBKSW-CIAFKFPVSA-N	390.487	2.229	0	1	GEAF	
Cn1cccc1C(=O)N[C@@H]1CCN2C(=O)c3ccc(Cl)cc3NC(=O)[C@H]2C1	2356868979	XGSZFPNRZMJMRN-MLGOLLRUSA-N	386.839	2.034	0	1	GEAF	
COc1ccccc1-c1onc(-c2ccc(F)cc2)c1C(=O)NC[C@H](O)CO	773872	NKYHVZIUOLPOIE-AWEZNQCLSA-N	386.379	2.239	0	1	GEAF	
COc1ccc2c3c([nH]c2c1)[C@@H]1C[C@H]2[C@H](C[C@@H](O)[C@@H](OC)[C@H]2CO)CN1CC3	13145029	YCLAQLTVHNAEEQ-DVIWITIJSA-N	386.492	2.100	0	1	GEAF	
COc1ccc(OC)c(C(=O)NCCN2CCN(c3ccccc3OC)CC2)c1	13782140	CLHNMTROPPBBIR-UHFFFAOYSA-N	399.491	2.264	0	1	GEAF	
CC(=O)N1CCC(N2C[C@@H]3C[C@H](C2)Cn2c3c(-c3cccnc3)ccc2=O)CC1	25409915	WUHJYWDBYRUILE-MJGOQNOKSA-N	392.503	2.340	0	1	GEAF	biogenic
COc1cccc(OC)c1C(=O)Oc1ccc2nc(S(N)(=O)=O)sc2c1	26505407	YTVBJMREQZLKII-UHFFFAOYSA-N	394.430	2.180	0	1	GEAF	
CO[C@@H](c1ccccc1)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)[nH]1	28644187	ZATOTELSUBHSFV-KRWDZBQOSA-N	383.379	2.280	0	1	GEAF	
CCOC(=O)[C@@H](CCc1ccccc1)O[C@H](C)C(=O)N1CCC[C@@H]1C(=O)O	28757330	FOJRYJADYAOGSC-DJIMGWMZSA-N	377.437	2.032	0	1	GEAF	
O=C(NCc1ccccc1)O[C@H]1CO[C@@H]2[C@H](OC(=O)c3ccccc3O)CO[C@H]12	45259718	ZFKPOGMAKBXHRD-FCGDIQPGSA-N	399.399	2.010	0	1	GEAF	
CCNc1nc(NCCCN2CCN(C)CC2)nc2cc(OC)c(OC)cc12	82137879	MOBJMRBJJQZGEG-UHFFFAOYSA-N	388.516	2.128	0	1	GEAF	
COc1cccc(-c2ccc([C@H]3[C@H](CO)N(C(C)=O)C34CN(C(C)=O)C4)cc2)c1	95668627	NBHXNKRZLKWQOZ-VXKWHMMOSA-N	394.471	2.270	0	1	GEAF	
COCc1ccnc(N2CCC(OC(=O)N3CCN(C(C)C)CC3)CC2)c1	223517658	PTYWPLBCPAXVEZ-UHFFFAOYSA-N	376.501	2.359	0	1	GEAF	
CCNC[C@@H]1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn4c3c2OC[C@H]4C)C1	253635377	LLCOQPLUQLDBRS-NEPJUHHUSA-N	389.427	2.228	0	1	GEAF	
O=c1cc(OC[C@@H](O)CN2CCN(c3ccccc3)CC2)c2ccccc2o1	299834501	JLPCXBVDHBKHIR-SFHVURJKSA-N	380.444	2.355	0	1	GEAF	
CC[C@H](C)[C@@H](NC(=O)[C@H](CC(C)C)n1c(O)nc2ccccc2c1=O)C(=O)O	504713040	RYZZQQXIFXWMLZ-VBNZEHGJSA-N	389.452	2.305	0	1	GEAF	biogenic
CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3cc(-n4cnnn4)ccc3[nH]2)cc1	586940156	WDTJGJPGRZESSB-GFCCVEGCSA-N	397.464	2.282	0	1	GEAF	
Cc1csc([C@@](O)(Cc2nc3ccc(-n4cnnn4)cc3[nH]2)C(F)(F)F)n1	587095062	XOHXOYWJEXGDDO-AWEZNQCLSA-N	395.370	2.296	0	1	GEAF	
COC(=O)c1cc2nc(CCN(CCC(=O)O)Cc3ccccc3)[nH]c2cn1	587193868	UMZIMIYBVLDSDV-UHFFFAOYSA-N	382.420	2.264	0	1	GEAF	
CCCCCn1c(=O)n(CC(=O)NC(C)(C)C)c(=O)c2c(OC)cccc21	1772602537	KVYLEWAHIAGMGX-UHFFFAOYSA-N	375.469	2.277	0	1	GEAF	
CC(=O)N[C@H]1CCN(C[C@H]2CC[C@H](c3nnn4cnc5[nH]ccc5c34)CC2)C1	1772608435	VAMYQOUPUFFEEZ-JYJNAYRXSA-N	381.484	2.090	0	1	GEAF	
CCCOC(=O)C1=C(C)CS[C@@H]2[C@H](NC(=O)CCc3ccccc3)C(=O)N12	1857567914	LHMWVGPKSOVTBX-VQIMIIECSA-N	388.489	2.246	0	1	GEAF	
C[C@@H]1C[C@@H](C)CN(C(=O)CCS(=O)(=O)c2ccc3c(c2)NC(=O)CS3)C1	6893445	NSPOUXUTKWVSGZ-CHWSQXEVSA-N	396.534	2.399	0	3	GEAF	
O=C(NCCN1CCOCC1)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccsc1	766934	NESBXDFJAUCHLA-PKOBYXMFSA-N	385.489	2.288	0	1	GEAF	
CCOCCCNC(=O)CN1[C@H]2CC[C@@H]1CC(O)(c1ccc(OC)cc1)C2	4373740	DIAVWUQFNLVZPY-HTZLVSCSSA-N	376.497	2.052	0	1	GEAF	
CCNC[C@H]1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn4c3c2OC[C@@H]4C)C1	5843521	LLCOQPLUQLDBRS-NWDGAFQWSA-N	389.427	2.228	0	1	GEAF	
COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N([C@H](C)C(=O)NC(C)C)C(=O)[C@]31C	15955421	GYMAJSAYPQXSNN-GTJPDFRWSA-N	398.463	2.125	0	1	GEAF	biogenic
O=C(CCS(=O)(=O)c1cccs1)N1CCN(Cc2ccccc2)CC1	20114048	NLFNFFBEWYTAOZ-UHFFFAOYSA-N	378.519	2.256	0	1	GEAF	
CC(C)C[C@@H](CNCC(=O)O)NC[C@@H]1CCCN1C(=O)OCc1ccccc1	28013883	BVSYNVGKXCETMK-OALUTQOASA-N	391.512	2.466	0	1	GEAF	
Nc1nc(NC[C@H]2CCCN2Cc2ccncc2)cc2nc(-c3ccco3)nn12	28359187	QMMKLAMRRNUYQX-OAHLLOKOSA-N	390.451	2.438	0	1	GEAF	
CS(=O)(=O)c1ccc(-c2cncn2-c2ccc(S(C)(=O)=O)cc2)cc1	53296980	ZHLJEORWBHSPCT-UHFFFAOYSA-N	376.459	2.346	0	1	GEAF	
COc1cc2nc(NCCCn3ccnc3)nc(NC[C@H](C)O)c2cc1OC	82129352	PQWOIAFHVDEEBA-ZDUSSCGKSA-N	386.456	2.138	0	1	GEAF	
COc1ccc2[nH]c(-n3cccn3)c(C3=C(Br)C(=O)NC3=O)c2c1	84670876	UUCDTXZTGCYFSE-UHFFFAOYSA-N	387.193	2.125	0	1	GEAF	
COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(Cc1nccs1)CC31CN(C)C1	95793719	MWXQIBOPSYJSEJ-KRWDZBQOSA-N	398.532	2.376	0	1	GEAF	
C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)N(C)C)[C@@H]2N1CC1CCCC1	95866525	WFJBZQUTFSGKJB-DPKHYAAYSA-N	399.535	2.123	0	1	GEAF	
CCCCCC(=O)O[C@@H]1C=C2CO[C@@H](O)[C@]2(O)[C@]2(C)[C@@H]1C(C)(C)CC[C@H]2O	169337290	GFMGOVRWOOAPMN-HSXGCCRNSA-N	382.497	2.302	0	1	GEAF	
O=S(=O)(NC1CC1)c1ccc(Br)c(-c2nc3cncnc3[nH]2)c1	586951515	PSCVCCGJKVRICV-UHFFFAOYSA-N	394.254	2.223	0	1	GEAF	
C=CS(=O)(=O)N[C@@H]1CCN(C(=O)CCc2c[nH]c3cccc(Cl)c23)C1	621478512	WUAHQKLLYVRLFC-CYBMUJFWSA-N	381.885	2.418	0	1	GEAF	
Cc1c(C(=O)CSCCNC(=O)c2ccccc2)[n+](=O)c2ccccc2n1O	653822700	VJUWPONGUUPQPM-UHFFFAOYSA-O	398.464	2.447	0	1	GEAF	
CNC(=O)COc1cc(NCc2ncc(-c3ccccc3)[nH]2)ccc1C(=N)N	1857566371	FZTUHYQXIQUZSP-UHFFFAOYSA-N	378.436	2.098	0	1	GEAF	
COC(=O)[C@]1(O)C[C@@]23CCCN4CC[C@@]5(c6cccc(OC)c6N[C@@]15CC2)[C@H]43	2356520118	ADIZHYKMXNXYPA-MSEOUXRUSA-N	384.476	2.053	0	1	GEAF	
CNC(=O)c1cccnc1NCCCN1CCN(c2ccccc2OC)CC1	13764469	PFJJZNGLZDAEIU-UHFFFAOYSA-N	383.496	2.074	0	1	GEAF	
CC(C)=CCC[C@]1(C)Oc2ccc(C(=O)N[C@H](C(=O)O)[C@@H](C)O)cc2C[C@@H]1O	13916038	JEQRSDJVWOFRBQ-ILLDPMRGSA-N	391.464	2.051	0	1	GEAF	biogenic
C/C=C(/C)C(=O)O[C@@H](C1=C(C)[C@@H](O)OC1=O)[C@@]1(C)[C@H](C)[C@@H]2CC[C@H]1[C@H](OC)O2	14693987	YEMKZDPASIYASW-JQQLTBJJSA-N	394.464	2.480	0	1	GEAF	endogenous,in-man
c1ccc(CN[C@@H]2CO[C@H]3[C@@H](n4cc(COc5ccccc5)nn4)CO[C@@H]32)cc1	36367192	UJEYIAZWIUPQFL-MBDNFAEBSA-N	392.459	2.354	0	1	GEAF	biogenic
NC(=O)[C@@H]1CCCN(c2ncc(C(=O)N3CCCCC3)c(-c3ccccc3)n2)C1	82133294	FEAUJRUTYIGGJU-QGZVFWFLSA-N	393.491	2.471	0	1	GEAF	
COCCn1c(=O)c(NCc2ccsc2)c2n(c1=O)[C@H](c1ccccc1)CN2	82208910	GEMHCIOXGGBDPY-INIZCTEOSA-N	398.488	2.345	0	1	GEAF	
CSCC[C@H](NC(=O)c1ccc(N)c(OCc2ccc(O)cc2)c1)C(=O)O	84653751	SQBCRNRZWMPGQM-INIZCTEOSA-N	390.461	2.490	0	1	GEAF	
O=C(c1ccccn1)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)CC1CC1	95894011	NVUGYHXQYKKVPN-IRFCIJBXSA-N	377.444	2.197	0	1	GEAF	
CC(=O)NC[C@H]1[C@@H](c2ccc(-c3cccnc3)cc2)[C@H](CO)N1C(=O)C1CCC1	95894914	ABMCTRXCSJHXAW-FDFHNCONSA-N	393.487	2.340	0	1	GEAF	
COC(=O)C1=C[C@@H]2C3=C(N4CCOCC4)c4ccccc4N(C)C3=N[C@H]2C=C1	98085283	DZGFIACXEOQLFQ-IRXDYDNUSA-N	377.444	2.246	0	1	GEAF	
O=C(c1cccc(NS(=O)(=O)N2CCCC2)c1F)c1c[nH]c2ncncc12	113490151	QFTGMPZTCQCHJK-UHFFFAOYSA-N	389.412	2.081	0	1	GEAF	
CCOc1ccc2c(c1)n1ncc(C(=O)OCc3ccccc3OC)c1[nH][n+]2=O	377829971	ZLQGJZCNNJOHCH-UHFFFAOYSA-O	395.395	2.494	0	1	GEAF	
COC(=O)c1ccc2nc(CNS(=O)(=O)/C=C/c3ccc(C)cc3)[nH]c2n1	586940561	AHOZJJXAZPKROY-MDZDMXLPSA-N	386.433	2.143	0	1	GEAF	
O=[S@](CCCc1nc2c(O)nc(O)nc2[nH]1)c1ccc(Br)cc1	586961567	VYVAFLGPMPUUHT-HSZRJFAPSA-N	397.254	2.267	0	1	GEAF	
CC(C)(C)OC(=O)Nc1nnc(Cc2nc3cc4nc(O)[nH]c4cc3[nH]2)s1	587023485	CROUCESDSFQOOS-UHFFFAOYSA-N	387.425	2.934	0	1	GEAF	
CS(=O)(=O)C[C@]1(c2ccc(Cl)cc2)NCCc2c(C(=O)O)cccc21	963121607	KCNUEIRCMXYSPH-GOSISDBHSA-N	379.865	2.472	0	1	GEAF	
COC(=O)C(=O)C[C@]1(c2cccnc2)N[C@H](C)Cc2c(OC)ccc(OC)c21	963642354	YINQCVYCOJJMCB-LRTDBIEQSA-N	384.432	2.009	0	1	GEAF	
C[C@@H](O)c1onc(-c2cccs2)c1C(=O)N1CCN(c2ncccn2)CC1	2356691150	ZETJKEFVTVYEHR-GFCCVEGCSA-N	385.449	2.209	0	1	GEAF	
CC1=NOCON=C(C)C(C)=NOCON=C(C)C(C)=NOCON=C1C	2356830016	JCYNUGYUQZOIMT-UHFFFAOYSA-N	384.393	2.228	0	1	GEAF	
COCC[C@@](O)(C(=O)O[C@@H]1CN2CCC1CC2)c1ccc(Br)cc1	13650142	ZOZWUVWBBRZFQH-AEFFLSMTSA-N	398.297	2.311	0	1	GEAF	
O=C(NCCCN1CCN(c2ccccc2)CC1)c1nc(-c2ccncc2)no1	15675376	JINDEXBHSKPJAQ-UHFFFAOYSA-N	392.463	2.074	0	1	GEAF	
CCCCCc1ccc(-c2cc3cn([C@H]4C[C@H](O)[C@@H](CO)O4)c(=O)nc3o2)nc1	28710410	MPWXOYKSROTYCD-QXAKKESOSA-N	399.447	2.425	0	1	GEAF	
C[C@@]1(CO)CC[C@@H](O)[C@]2(C)[C@H]3COC(=O)[C@H]3C[C@@H](OC(=O)c3ccccc3)[C@H]12	33949477	JFDJCTFKYXUXCK-KBUJZQQDSA-N	388.460	2.181	0	1	GEAF	
Cc1ccc([C@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@@]23CC(=O)N(C)C3=O)cc1	58506748	JXJFTQFQUXWGRI-VSDWSMLSSA-N	389.455	2.247	0	1	GEAF	
CC(C)CNS(=O)(=O)c1ccc(Br)cc1N1CCC[C@H]1CO	72136700	BICJYRQFMMTUSN-ZDUSSCGKSA-N	391.331	2.345	0	1	GEAF	
CC[C@@H](C)NC(=O)c1cnc(N2CCC[C@H](C(N)=O)C2)nc1-c1ccccc1	82133385	AHQMAYZQGXMKMS-ZBFHGGJFSA-N	381.480	2.374	0	1	GEAF	
COc1ccc(S(=O)(=O)c2nc3ccccc3nc2N2CCC(O)CC2)cc1	84616726	MQFOAPNGMAFLGP-UHFFFAOYSA-N	399.472	2.432	0	1	GEAF	
CCO[C@@H]1OC(C(=O)N2CCN(C)CC2)=C[C@H](c2ccccc2)[C@H]1CCCO	95783789	LDUAMYMGTCHQEP-WOIUINJBSA-N	388.508	2.210	0	1	GEAF	
Cn1cnc2cc(-c3ccc(C(C)(C)N)cc3)nc(N3CC[C@H](CO)C3)c2c1=O	115625417	CPKHRBDHLIUMFQ-AWEZNQCLSA-N	393.491	2.008	0	1	GEAF	
O=C(NN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C1=O)c1ccc(Br)cc1	169354802	QRWZSMGXNJSJBA-PMXAPFLYSA-N	387.233	2.147	0	1	GEAF	
CCOC(=O)[C@@H]1[C@H](c2ccccc2)C[C@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N21	299847990	AWXNBFBIVFXLHS-QIJZPMMNSA-N	392.455	2.044	0	1	GEAF	
COc1cc2c3c(c1)O[C@@]1(C[C@H](C(=O)O)N(C(=O)OC(C)(C)C)C1)[C@@H](C2)C3=O	587438968	SECVSEXNTZABHR-MRRFBWAASA-N	389.404	2.275	0	1	GEAF	
CCN(c1ccc(-c2csc(-c3cncnc3N)n2)cc1)S(C)(=O)=O	587923596	YOHFCDWENPDVGK-UHFFFAOYSA-N	375.479	2.635	0	1	GEAF	
Cc1cc(C)c2nc(S)n(CCc3ccc(S(N)(=O)=O)cc3)c(=O)c2c1	653830207	HBHWKYQYGWPPBR-UHFFFAOYSA-N	389.502	2.192	0	1	GEAF	
O=C(Nc1ccc2c(c1)S(=O)(=O)NC2=O)c1cccc(Br)c1	1857616283	OEEUQWKXDQQNAD-UHFFFAOYSA-N	381.207	2.134	0	1	GEAF	
O=C1c2ccccc2C(=O)N1c1ccc(S(=O)(=O)Nc2ccccn2)cn1	1911577803	IALLFCKATLJNHK-UHFFFAOYSA-N	380.385	2.078	0	1	GEAF	
O=C(CN(C(=O)[C@H]1COc2ccccc2O1)c1ccccc1)NC[C@H]1CCCO1	898129	SBIIPUXMIXCTEY-YLJYHZDGSA-N	396.443	2.155	0	3	GEAF	
Cc1cccc(S(=O)(=O)NC(=O)[C@]2(C)CCN2C(=O)c2cccc(F)c2)c1	61903951	MQKKETQKKQLDDO-IBGZPJMESA-N	390.436	2.244	0	3	GEAF	
O=C(Nc1nccs1)[C@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(-c2ccccn2)nn1	8253962	OEXGSUOKGORFCP-ZNMIVQPWSA-N	395.492	2.146	0	1	GEAF	biogenic
CSc1cccc(NC(=O)N[C@@H]2CCN3C(=O)[C@@H](C(C)C)NC(=O)[C@H]3C2)c1	33880187	JFSQUUGWXKCLSP-FVQBIDKESA-N	390.509	2.044	0	1	GEAF	biogenic
O=C(C[C@@H]1CCCCN1c1ccnc(-n2ccnc2)n1)NCc1ccccn1	35272186	NOQHBAPFLBFZJH-KRWDZBQOSA-N	377.452	2.123	0	1	GEAF	
O=C1CC[C@@H](NC(=O)CCc2nc3ccccc3oc2=O)[C@H](c2ccsc2)N1	40474907	CZHCCKRDIWJVCC-KUHUBIRLSA-N	397.456	2.318	0	1	GEAF	
CCN(C)C(=O)c1cnc(N2CCN(C(C)=O)CC2)nc1-c1cccc(C)c1	82160081	SFIBRFKXXBHJOY-UHFFFAOYSA-N	381.480	2.212	0	1	GEAF	
COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)C1CCCC1)CC31CN(C)C1	95865047	UHWFSADTXCYGKH-SFHVURJKSA-N	383.492	2.426	0	1	GEAF	
CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2ccc(OC)nc2[nH]1	586965730	WWJDNFKQALOUGB-UHFFFAOYSA-N	384.469	2.423	0	1	GEAF	
COC(=O)c1ccc2nc([C@H](CCN(C)C)NC(=O)OC(C)(C)C)[nH]c2n1	587194466	UEWYZKFFSRXFRH-LBPRGKRZSA-N	377.445	2.262	0	1	GEAF	
C=CS(=O)(=O)N1CC[C@@H](C(=O)Nc2ccc(OC(F)(F)F)cc2F)C1	618017435	KVBKPOWNQWKJRW-SECBINFHSA-N	382.335	2.458	0	1	GEAF	
CC(=O)N1CCC(N2C(=O)C(C)(C)c3cnc(Nc4cccnc4)nc32)CC1	1772589220	XWFGQJYJKNNTLZ-UHFFFAOYSA-N	380.452	2.250	0	1	GEAF	
C[C@H]1CCc2cc(F)cc3c(O)c(C(=O)NC[C@@H]4CCCN(C)C4)c(=O)n1c23	1857575656	LWKSFZWBFDVACE-STQMWFEESA-N	387.455	2.425	0	1	GEAF	
Cc1nccc(C[C@@H]2[C@H](NCc3ccc(C(F)(F)F)cc3)C[C@H](O)[C@H]2CO)n1	2356289344	UDLSABIBQSHRSF-OKYOBFRVSA-N	395.425	2.494	0	1	GEAF	
C[C@@]1(CO)CN(Cc2ccccc2)C[C@H]2CN(C(=O)c3ccc(F)cc3)CCN21	2356303521	XLRQKNVCHODDSR-GMAHTHKFSA-N	397.494	2.219	0	1	GEAF	
O=C(N[C@@H]1CO[C@@H]2[C@@H](Nc3nccc(-c4ccccc4)n3)CO[C@H]12)c1ccco1	2356815898	CWSFYVCTGMGIFW-UKBAYJJMSA-N	392.415	2.113	0	1	GEAF	
Cc1ccc(CS(=O)(=O)CCC(=O)NCc2ccc3c(c2)OCO3)cc1	2964841	UVYKRXSWECWVLR-UHFFFAOYSA-N	375.446	2.345	0	3	GEAF	
O=C(O)c1ccc2c(c1)C(=O)N([C@H](Cc1c[nH]c3ccccc13)C(=O)O)C2=O	13815966	ZLCMJIUSWSBZAU-MRXNPFEDSA-N	378.340	2.158	0	1	GEAF	
O=C(NCc1ccc(F)cc1)c1nc2cc(-c3ccccc3)[nH]n2c(=O)c1O	64540708	NPUMAGFMQVVVNE-UHFFFAOYSA-N	378.363	2.464	0	1	GEAF	
O=C(C1CCC1)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(-c4cccnc4)cc3)[C@@H]2C1	95797318	QVDWJLNEJREBMG-ONTIZHBOSA-N	391.471	2.046	0	1	GEAF	
COC(=O)[C@@H]1C[C@@]23C4=C(CC[C@@H]41)CC[C@H]1CN4C[C@@H](C)[C@H](C=C[C@]12CO)[C@]43O	101131782	KJJSHRRLRCGALL-IZHCSUDYSA-N	385.504	2.101	0	1	GEAF	
N[C@@H](CCC(=O)n1c(-c2cc(F)ccc2F)nc2ccccc2c1=O)C(=O)O	103194734	RFMPQLKANHXCIB-AWEZNQCLSA-N	387.342	2.174	0	1	GEAF	
C[C@@H]1O[C@@H](O[C@H](C)CCC(=O)O)[C@H](O)C[C@H]1OC(=O)c1c[nH]c2ccccc12	139961554	GIZBXORWWXIWKX-VEZRURDRSA-N	391.420	2.459	0	1	GEAF	in-vitro
C[C@H](/C=C/C(=O)O)[C@@]1(C(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	587601688	FKUZAFHHCFLXBV-NNWZPFKFSA-N	384.340	2.454	0	1	GEAF	
O=C(NCc1ccc(-c2nc(-c3ccc(Cl)cc3)no2)cc1)[C@H]1NCC[C@@H]1O	653696817	DDCGNKOFOOQPSH-IRXDYDNUSA-N	398.850	2.396	0	1	GEAF	
CO[C@@H]1O[C@H](O)[C@]23[C@H](CCC(C)(C)[C@@H]12)OC(=O)[C@@]12C[C@H](CC[C@H]13)[C@@H](C)C2=O	653737401	OVJNATNESHNAMK-ZVYPGVGUSA-N	378.465	2.277	0	1	GEAF	
COc1cc2c(cc1OC)C(=O)[C@H](C(=O)OC[C@H]1C[N@]1Cc1ccccc1)C2	1857744125	CJCRSGVCWCGTRH-UQNRQAKVSA-N	381.428	2.486	0	1	GEAF	
CCN1CCN(C(=O)CSc2ncnc3sc(C)c(Cl)c23)CC1=O	1911573415	YRYKAUGKDJEGOF-UHFFFAOYSA-N	384.914	2.436	0	1	GEAF	
NC(=O)c1ccccc1NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccno1	1911575495	RNJHZHSEYKVTBF-INIZCTEOSA-N	384.436	2.481	0	1	GEAF	
OC[C@@H]1[C@H](O)C[C@@H](NC2CCCCC2)[C@@H]1Cc1ccnc(-c2cccnc2)n1	2356288617	IAFYNFFDTUUFOL-PLACYPQZSA-N	382.508	2.361	0	1	GEAF	
CC=C1CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@H](N)C[C@H]1[C@@]2(CO)C(=O)OC	2356434413	QMJONXXIALRJAC-KZFRKFNSSA-N	383.492	2.142	0	1	GEAF	
CC=C1C[C@H](C)[C@@](C)(OC(C)=O)C(=O)OCc2ccn3c2[C@H](CC3=O)OC1=O	2356464546	NTGIQQBAUYBEBF-UYHHGJEOSA-N	389.404	2.467	0	1	GEAF	
CCc1ccc2c(c1)N1C(=O)C[C@H]3OCC=C4CN(C)CC[C@@]25C(=O)C[C@H]4[C@H]3[C@@H]15	2356604356	YVZSCHMJJIWFCR-UVCYEGERSA-N	392.499	2.472	0	1	GEAF	
CCOC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OCC)[C@H]1c1c[nH]c2ccccc12	20762531	HQBFXHCSFCYATJ-NYUBLWNDSA-N	387.432	2.334	0	1	GEAF	
CCNC[C@@H]1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2N)C1	27546681	SHRKIUDYVCQRBK-NSHDSACASA-N	388.443	2.192	0	1	GEAF	
COc1ccc2c3c1O[C@H]1[C@H](O)C=C[C@H]4[C@@H](C2)N([C@@H]2CCCC[C@@H]2O)CC[C@@]341	28239587	ROOIUTBGPBWDFU-JSFNIJBVSA-N	383.488	2.175	0	1	GEAF	
CCOC(=O)COc1ccc(OCCNC[C@@H](O)COc2ccccc2)cc1	29466673	XROICHKUHBNURY-QGZVFWFLSA-N	389.448	2.037	0	1	GEAF	
COC(=O)C[C@@H](CO)CC[C@@]1(C)[C@H](C)C(=O)C[C@@]23COC(=O)C2=CCC[C@@H]31	38209148	LOJULOSPWTXYPL-YRLOBWMVSA-N	378.465	2.433	0	1	GEAF	
CC(=O)N1CCN(C(=O)c2cnc(N3CCCC3)nc2-c2ccccc2)CC1	82133273	KESZAMMLKBDLSK-UHFFFAOYSA-N	379.464	2.048	0	1	GEAF	
O=C(Cn1c2ccccc2c2nc3n(c(=O)c21)CCS3)N1CCC(F)(F)C1	84596778	NJGBDLPFSNRZRJ-UHFFFAOYSA-N	390.415	2.325	0	1	GEAF	
CNCc1cc(-c2cccnc2F)n(S(=O)(=O)c2ccc(OC)nc2)c1	115730535	KYANNJBBRACPBP-UHFFFAOYSA-N	376.413	2.049	0	1	GEAF	
CCOC(=O)C1CCN(C(=O)C(C)(C)NC(=O)Nc2cccc(OC)c2)CC1	149117583	DCZQKFBVJGFGLW-UHFFFAOYSA-N	391.468	2.397	0	1	GEAF	
CO[C@H](C)[C@H]1[C@H]2C[C@H]3C4=Nc5ccccc5[C@]45C[C@@H]([C@H]2[C@@H]5OC(C)=O)N3[C@@H]1O	169289609	XHABFDBTVXEZFH-PLRWYGQWSA-N	382.460	2.018	0	1	GEAF	
COC(=O)[C@@H]1[C@@H](O)CC[C@@H]2C[C@H]3Cc4c([nH]c5ccc(OC)cc45)CN3C[C@H]12	238742398	IJSBYCUQBXKLMJ-IURFZMJQSA-N	384.476	2.483	0	1	GEAF	
Cc1cc(C(=O)N[C@@H](Cc2ccccc2)C(=O)O)c(O)c2c1C[C@@H](C)OC2=O	238775656	BVASHDNGWPDVAK-WBMJQRKESA-N	383.400	2.228	0	1	GEAF	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CC[C@H]1[C@H]2CN[C@H]1C(=O)O	587598964	ZFGGRGLGMSUZFK-BIIPGSRTSA-N	381.384	2.175	0	1	GEAF	
CCN(CC)C(=O)COCc1cncc(-c2cnc3c(c2)CCCN3C(N)=O)c1	1772650059	SWENTUFMNPCVQD-UHFFFAOYSA-N	397.479	2.360	0	1	GEAF	
CN(C)CCNC(=O)[C@@H]1c2ccccc2C[C@H]1NC(=O)c1cc2ccccc2[nH]1	1857629345	KXYMOVSEAHKZNO-TZIWHRDSSA-N	390.487	2.284	0	1	GEAF	
CC=C(C)C(=O)O[C@@H]1CC[C@@H]2C[C@]3(OC)OC(=O)C(C)=C3[C@@H]3OC(=O)[C@H]1[C@@]23C	2356601136	KZURABRWVCJYOG-YEGULEEUSA-N	390.432	2.442	0	1	GEAF	
COc1cc(O)c2c(c1Cl)C=CC[C@H](O)[C@H](O)[C@H](O)C=CC[C@@H](C)OC2=O	2356713165	ASZQCWYVQBKBBJ-LHAXHYPGSA-N	398.839	2.045	0	1	GEAF	
COC(=O)[C@]1(C)N[C@H](c2ccc(-c3ccccc3)cc2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21	36386440	VUYWEKGGALYLMJ-OZQHCQBDSA-N	378.428	2.161	0	3	GEAF	
CS(=O)(=O)Nc1cccc(-c2ccc3ncnc(N4CCNCC4)c3c2)c1	4257419	CXLQFQXHYYKXJS-UHFFFAOYSA-N	383.477	2.078	0	1	GEAF	
Nc1ncnc2c1ncn2CCOC[P@]1(=O)OCC[C@@H](c2ccoc2)O1	28974829	RSGKJEUTMCZUGN-QDXKXIGTSA-N	379.313	2.347	0	1	GEAF	
CN(C)c1ccc(C(=O)OC[C@@]2(CO)C/C(=C/c3ccncc3)C(=O)O2)cc1	45495784	PUONMCPYNHSWMF-LRJKXPEMSA-N	382.416	2.066	0	1	GEAF	
CC[C@]1(O)CC(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccc(O)cc1c2C	53244113	CQYIILFNLODHHN-QFIPXVFZSA-N	392.411	2.484	0	1	GEAF	
CC(C)n1cc(NC(=O)CCc2nc(-c3ccc(O)cn3)no2)c(C(=O)O)c1	116539074	WKSSNATVXNMZGK-UHFFFAOYSA-N	385.380	2.489	0	1	GEAF	
CC(=O)NCCNC(=O)c1ccc(OCc2c(-c3ccccc3)noc2C)nc1	143285125	DODBQOYAIRZVMS-UHFFFAOYSA-N	394.431	2.490	0	1	GEAF	
CCOC(=O)[C@@]1(C)N[C@@H](c2ccco2)[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21	169293924	LYSRIABXKOSRJF-VWXURSGXSA-N	382.416	2.360	0	1	GEAF	
Cc1cccc(N2CCN(C[C@H](O)CN3CCc4ccccc4C3)C(=O)C2)c1	209688561	CUXYMTAPLNROMI-JOCHJYFZSA-N	379.504	2.063	0	1	GEAF	
CC1(C)CCC[C@@]2(C)[C@H]1[C@H](OC(=O)/C=C/C=C\C(=O)O)C=C1COC(=O)[C@@]12O	238784012	WWELYLJKFRXUQW-JEILIYCCSA-N	390.432	2.156	0	1	GEAF	
COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2cccc(S(N)(=O)=O)c2[nH]1	586915284	CCSMZEGWYQSAER-BFUOFWGJSA-N	385.445	2.427	0	1	GEAF	
CCOC(=O)C[C@@H](C(=O)OCC)[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	587442233	PIGWDILFJCUIHP-CKNLXJGOSA-N	376.405	2.334	0	1	GEAF	
O=C(NC[C@]1(O)CO[C@H](CNC(=O)c2ccccc2Cl)C1)c1ccccc1	1772653719	RIQAUGSGLBUPJL-YWZLYKJASA-N	388.851	2.020	0	1	GEAF	
NCc1cc(NCc2cccc(C(=O)N3CC[C@H](O)C3)c2)nc(C(F)(F)F)c1	1857565942	RDHHIBVUCOKRAF-HNNXBMFYSA-N	394.397	2.378	0	1	GEAF	
O=c1[nH]c2cccnc2n1C1CCN(C[C@H]2COc3ccc(F)cc3O2)CC1	27903846	VHOYUSGTZKZQNS-HNNXBMFYSA-N	384.411	2.341	0	1	GEAF	
CCOC(=O)[C@@H](CCc1ccccc1)O[C@@H](C)C(=O)N1CCC[C@@H]1C(=O)O	28757324	FOJRYJADYAOGSC-USXIJHARSA-N	377.437	2.032	0	1	GEAF	
C[C@H]1COc2c(N3CC[C@H](CN(C)C)C3)c(F)cc3c(=O)c(C(=O)O)cn1c23	40676990	PNZILQZIFUUTGZ-NWDGAFQWSA-N	389.427	2.180	0	1	GEAF	
O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(N[C@@H](CC3CC3)C3CC3)nc(Cl)nc21	95556938	OSRIGBPVOYCSJJ-RJUOPTFYSA-N	389.887	2.383	0	1	GEAF	
CCOC(=O)O[C@H]1C=C2CCN(C)[C@H]2[C@@H]2c3cc4c(cc3C(=O)O[C@H]12)OCO4	96909151	ODLOFMVDUCKHLI-WNRNVDISSA-N	387.388	2.224	0	1	GEAF	
Cc1cn2cc(-c3cc(=O)n4cc(N5CCN(C)CC5)ccc4n3)cc(C)c2n1	148503299	VKBXHPYPNYCDBH-UHFFFAOYSA-N	388.475	2.378	0	1	GEAF	
Cn1c([C@]2(C)CCCS2)nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O	167921815	SJTGUAIXCKNKQQ-SFHVURJKSA-N	377.441	2.297	0	1	GEAF	
O=S(=O)(NCc1ccco1)c1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1	587563269	QRBCONMIRZCLMJ-UHFFFAOYSA-N	398.400	2.175	0	1	GEAF	
COC(=O)C[C@@]1(c2ccccc2OC)N[C@H](C(=O)O)Cc2cc(C)c(O)cc21	963556188	VQBKHKCJKVBQLZ-KKSFZXQISA-N	385.416	2.115	0	1	GEAF	
CS(=O)(=O)Nc1cccc2c(=O)cc(C(=O)NCC3CCCCC3)oc12	1772611578	HCJWFZWKUUEXGK-UHFFFAOYSA-N	378.450	2.475	0	1	GEAF	
CC=C(C)C(=O)O[C@@H]1CC[C@@H]2C[C@]3(OC)OC(=O)C(C)=C3[C@@H]3OC(=O)[C@H]1[C@]23C	2356601134	KZURABRWVCJYOG-MZJBTSNISA-N	390.432	2.442	0	1	GEAF	
COc1ccc(-c2ccnc(N[C@@H]3CO[C@@H]4[C@@H](NCC(C)C)CO[C@H]34)n2)cc1	2356824288	GUHHDORKOQQQPF-MTQWCTHYSA-N	384.480	2.345	0	1	GEAF	
O=C(O)[C@H](Cc1ccc2c(c1)OCO2)[C@@H](Cc1ccc2c(c1)OCO2)C(=O)O	3580969	FFYBYVPVYLMLAR-ZIAGYGMSSA-N	386.356	2.331	0	1	GEAF	
COc1cc2c(cc1O)[C@H](c1cc(OC)c(O)c(OC)c1)[C@H](CO)[C@@H](CO)C2	15270976	JUJIQKRWLCSYQD-RCDCFZSISA-N	390.432	2.029	0	1	GEAF	biogenic
COCCNC(=O)C[C@@H]1c2nc(C)sc2C[C@H]2[C@]1(C)CC[C@@H](O)[C@@]2(C)CO	43553637	SQDYCVXVAPSBJA-QTAXSFQDSA-N	396.553	2.020	0	1	GEAF	biogenic
O=C1c2cc3c(cc2OCN1C[C@H](O)c1ccccc1)C(=O)N1CCC[C@H]1O3	72124941	LIXIVCSGPSXRLV-QFBILLFUSA-N	380.400	2.167	0	1	GEAF	
NC(=O)[C@H]1CCCN(c2ncc(C(=O)NCC3CC3)c(-c3ccc(F)cc3)n2)C1	82139835	VNHDAABCXMQXIK-HNNXBMFYSA-N	397.454	2.124	0	1	GEAF	
O=C(C1CCC1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4cccnc4)cc3)[C@H]2C1	95797358	QVDWJLNEJREBMG-KCZVDYSFSA-N	391.471	2.046	0	1	GEAF	
C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)N(C)C)[C@H]2N1CC1CCCC1	95866749	WFJBZQUTFSGKJB-AKWGJWATSA-N	399.535	2.123	0	1	GEAF	
CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)O)O[C@@H]1CO2	95888585	AQKQROKSGQSFNM-UKPHBRMFSA-N	390.436	2.281	0	1	GEAF	
O=C(CN1CCN(Cc2ccccc2)CC1)N[C@@H]1c2cn[nH]c2-c2sccc21	103300491	KWXRZCJBVNGGSK-IBGZPJMESA-N	393.516	2.475	0	1	GEAF	
CN1CCN(C(=O)c2cccc(-c3n[nH]c4ccc(-c5ncn[nH]5)cc34)c2)CC1	164813877	JLNWNHXPDMQUQU-UHFFFAOYSA-N	387.447	2.403	0	1	GEAF	
CN(c1ncnc2[nH]ccc12)[C@H]1CC[C@H](CS(=O)(=O)N2CC[C@@H](F)C2)CC1	261141643	NETGVMWNCJQIAR-RBSFLKMASA-N	395.504	2.327	0	1	GEAF	
COc1ccc(NS(=O)(=O)CSc2nc3ncccc3[nH]2)cc1OC	299823740	SZPWCFLCCHEYHX-UHFFFAOYSA-N	380.451	2.467	0	1	GEAF	
NS(=O)(=O)c1cccc2nc(CCCC(=O)c3ccc(Cl)cn3)[nH]c12	587081007	JJUOLRVDOVWGGE-UHFFFAOYSA-N	378.841	2.464	0	1	GEAF	
COC(=O)c1cc2[nH]c(CNC(=O)[C@@H](C)Oc3ccccc3)nc2cc1OC	587225692	RJEKHEVJNVFCHV-GFCCVEGCSA-N	383.404	2.442	0	1	GEAF	
COc1cc2c3c(c1)O[C@]1(C[C@@H]4CC[C@@]1(CS(N)(=O)=O)C4(C)C)[C@@H](C2)C3=O	587447509	ATSAEDMETCCPIV-WXJMYEGYSA-N	391.489	2.296	0	1	GEAF	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H]1CN2CCC[C@@H]2CO1	587870085	VTHSVGSBMIKZQU-TZMCWYRMSA-N	396.369	2.476	0	1	GEAF	
CC1([C@H]2CC(=O)N(CCOc3ccc(F)c(F)c3)C2)CCS(=O)(=O)CC1	1772615192	BTLIVXFEOFQGEG-ZDUSSCGKSA-N	387.448	2.407	0	1	GEAF	
Cc1c(CN2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)c(=O)n(-c2ccccc2)n1C	758986	PKVXJCOIXBROKR-ZWKOTPCHSA-N	390.487	2.265	0	1	GEAF	
COc1ccc(NC(=O)N2CC3(CCN(C(=O)c4csnn4)CC3)C2)cc1	3956227	VXXAGGLQWMAFGS-UHFFFAOYSA-N	387.465	2.317	0	1	GEAF	
CCn1c(-c2nonc2N)nc2c(-c3ccccc3)ncc(OCCCN)c21	40952852	OAYXVYXQZWJEBE-UHFFFAOYSA-N	379.424	2.478	0	1	GEAF	
CN(C)c1ccc(C(=O)OC[C@]2(CO)C/C(=C/c3cccnc3)C(=O)O2)cc1	45498253	NWJCYPGKSMWHKD-SYEXPRJDSA-N	382.416	2.066	0	1	GEAF	
O=C(c1ccc2c(CN3CCN(C4CCC4)CC3)c[nH]c2c1)N1CCOCC1	64527733	HFEUYPQPSAHVKT-UHFFFAOYSA-N	382.508	2.310	0	1	GEAF	
CC(C)O[C@H]1CCN[C@@H]1C(=O)Cn1cnc2cccc(C(F)(F)F)c2c1=O	82153221	MWIYZNNESULBTE-GOEBONIOSA-N	383.370	2.140	0	1	GEAF	
COc1ccc(CNc2nc(N3CCC(C(N)=O)CC3)ncc2C)cc1OC	82204267	XSSZPFXMAPWVDJ-UHFFFAOYSA-N	385.468	2.116	0	1	GEAF	
O=C(Cc1ccccc1)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)C1CC1	95893279	HGGQDUDEIVKXDI-SJBKTWHCSA-N	376.456	2.341	0	1	GEAF	
OC[C@H]1O[C@@H](c2ccc(F)c(Cc3cc4cccccc-4c3)c2)[C@H](O)[C@@H](O)[C@@H]1O	96271997	HQUXTEVEKMBUEH-ZQGJOIPISA-N	398.430	2.036	0	1	GEAF	
COC(=O)[C@H]1CCCN1C(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1	146254667	QSFMZLHLMBHVEL-OAHLLOKOSA-N	395.406	2.103	0	1	GEAF	
CCO[C@@H]1C([N+](=O)[O-])=C2N(Cc3ccc(Cl)nc3)CCN2[C@]1(C)OCC	299848838	SAGYHGVAVOEZDM-NVXWUHKLSA-N	382.848	2.470	0	1	GEAF	
Nc1ncnc2[nH]c([C@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)nc12	587171223	NBEIVHKFOSYFFK-CQSZACIVSA-N	398.423	2.142	0	1	GEAF	
CCCc1c(O)ccc2c1O[C@](CC(=O)C(=O)OC)(c1ccnn1C)CC2=O	587480052	VZWSGNRAVMATGJ-HXUWFJFHSA-N	386.404	2.071	0	1	GEAF	
CCC(=O)[C@@H]1C(=O)OC(C)=C[C@]12N[C@H](C(=O)O)Cc1c2cnc2ccccc12	963239563	XFPIKIJMECUWLU-YRISNDGFSA-N	380.400	2.085	0	1	GEAF	
COc1ccc(C(N)=O)cc1C(=O)Nc1cccc(-c2nncn2C(C)C)n1	1857649673	RDCZEXIASXAKHW-UHFFFAOYSA-N	380.408	2.281	0	1	GEAF	
COCCC(=O)N[C@@H]1CC[C@]2(C)CC[C@H]([C@H](C)C(=O)NC3CC3)[C@H](O)[C@@H]2[C@H]1C	2356511646	LRHGNUOEJXAQAC-SJUMMMEHSA-N	394.556	2.246	0	1	GEAF	
CC(=O)O[C@@H]1C=CC(C)(C)[C@@H]2CC[C@@]3(O)[C@@H](C[C@H]4OC(=O)C(C)=C4[C@H]3O)[C@]21C	2356533591	LQBVAPXSEOYEIN-RVRPFDSSSA-N	390.476	2.284	0	1	GEAF	
O=C(Cn1c(CN2CCCCC2)nc2ccccc2c1=O)NCc1ccco1	920450	SPGCCNMRPRSTMY-UHFFFAOYSA-N	380.448	2.292	0	3	GEAF	
O=C(C1CCN(C2CCN(C[C@@H]3CC=CCC3)CC2)CC1)N1CCOCC1	13593970	GXWUSJPGQQWXEK-LJQANCHMSA-N	375.557	2.378	0	3	GEAF	
O=C(O)COCCCC[C@@H]1[C@@H](NS(=O)(=O)c2ccc(F)cc2)CC[C@H]1F	28230088	HSLRWCHUKHKGSU-XHSDSOJGSA-N	391.436	2.492	0	1	GEAF	
Cc1cc(-n2ncc(=O)[nH]c2=O)cc(C)c1[S@@](=O)c1ccc(Cl)cc1	28764282	RESRVGPRCDFHJH-RUZDIDTESA-N	375.837	2.358	0	1	GEAF	
COc1ccc2sc(CNc3nncc(N4CCCC[C@H]4CO)n3)nc2c1	95584552	GIKNTHATRIHUFO-LBPRGKRZSA-N	386.481	2.453	0	1	GEAF	
Oc1ccc2c3c1O[C@H]1c4ncccc4C[C@@]4(O)[C@H](C2)N(CC2CC2)CC[C@]314	100989913	UUKFYSADJMUSTK-KEIZBESESA-N	376.456	2.486	0	1	GEAF	
O=C(c1ccccc1)c1cccc(C=c2nc(O)c(=Cc3ccncc3)nc2O)c1	299818735	AFPNQIWTPYFPLS-UHFFFAOYSA-N	395.418	2.171	0	1	GEAF	
O=S(=O)(NC[C@@H]1CCCO1)c1ccc(-c2nc3ncc(F)cc3[nH]2)cc1	586947272	VJTFSTYLUBXHCR-ZDUSSCGKSA-N	376.413	2.221	0	1	GEAF	
COc1ccc(C[C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1S(N)(=O)=O	587407966	DBQIDOXXSNQBCP-IBGZPJMESA-N	390.461	2.200	0	1	GEAF	
CC(C)S(=O)(=O)c1c(Cl)ccc(NC(=O)NC2CCN(C)CC2)c1O	1772604750	BRXMFUUXNQYNTJ-UHFFFAOYSA-N	389.905	2.443	0	1	GEAF	
COC(=O)[C@H](C)[C@@H]1CC[C@](C)(O)[C@H](O)CCC(C)=CCC[C@@](C)(O)[C@H](O)C1	2356687354	MSLVWANTCSFXCQ-DOVHUEEUSA-N	386.529	2.326	0	1	GEAF	
C[C@@H]1OC(c2ccccc2O)=N[C@@H]1C1=NC[C@H](C2=N[C@H](C(=O)O)CS2)S1	2356795694	MJFSVXKNKROZMR-ZDAZMGEQSA-N	391.474	2.039	0	1	GEAF	
C[C@@]1(C(=O)NS(=O)(=O)c2ccccc2Cl)CCN1C(=O)c1ccco1	61906004	OIIXELPJRAUSPG-INIZCTEOSA-N	382.825	2.043	0	3	GEAF	
COCCNc1nc2c(S(=O)(=O)c3ccccc3)nnn2c2ccsc12	4316463	ZLXHRSBHWKYJCY-UHFFFAOYSA-N	389.462	2.230	0	1	GEAF	
C[C@@H](n1cnc2ccccc2c1=O)[C@](O)(Cn1cncn1)c1ccc(F)cc1F	6494340	BXPCEAINFZCDKI-ZUOKHONESA-N	397.385	2.415	0	1	GEAF	
COc1ccc(N2C(=O)[C@H]3C[C@@H](NC(=O)Cc4cccs4)CCN3C2=O)cc1	25199384	CYVKYJDMSNRHIS-SUMWQHHRSA-N	399.472	2.415	0	1	GEAF	biogenic
O=C(N[C@H]1COCC(=O)N(Cc2ccc(F)cc2)C1=O)OCc1ccccc1	29045206	SDLQERMHHZDFBI-KRWDZBQOSA-N	386.379	2.006	0	1	GEAF	
COC(=O)[C@H]1C[C@@H](O)C[C@H]2[C@H]1C(=O)C[C@H]1C(=O)O[C@@H](c3ccoc3)C[C@]21C	85695071	LPHWMSVPEOJPHG-CHAUJJPASA-N	376.405	2.039	0	1	GEAF	in-man
CO[C@@H]1COC(=O)C/C=C\[C@@H](C)[C@@H]2C=C[C@H](O)[C@@H](COC(=O)CCC[C@H]1C)O2	102749930	ZPFUQBPYNIZRGQ-ZJBKBCAPSA-N	396.480	2.175	0	1	GEAF	
CN1CCN(CCCNC(=O)[C@H]2C(c3ccccc3)=NO[C@H]2c2ccoc2)CC1	104187673	GDCOFKMRUHCEHA-FPOVZHCZSA-N	396.491	2.125	0	1	GEAF	
O=C(NCc1ccncc1)c1ncc2ccc(=O)n(Cc3ccccc3)c2c1O	169710960	QDCUCOYWUMZOBU-UHFFFAOYSA-N	386.411	2.475	0	1	GEAF	
CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cc(N)c(N)cc2[nH]1	586964637	AUKVYUGANHGMSW-UHFFFAOYSA-N	383.485	2.184	0	1	GEAF	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCc3nc(O)c(S(C)(=O)=O)cc31)O2	587409127	KJSFWSGKNCOSKH-LJQANCHMSA-N	388.445	2.278	0	1	GEAF	
Cc1cccc(NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2C[C@H]3CCCC[C@@H]3NC2=O)n1	618015314	JLEGLLXXVUNMMH-NCOADZHNSA-N	384.480	2.014	0	1	GEAF	
COc1cc([C@@H]2N[C@H](C(=O)O)Cc3c2cnc2ccccc32)c(OC)c(OC)n1	963225358	JWOGRGMWWVHRFU-WMZOPIPTSA-N	395.415	2.344	0	1	GEAF	
O=C(Nc1ncnc2[nH]cnc12)c1cccc(-c2cccc(-c3nn[nH]n3)c2)c1	1857558581	JXVZNSKWJHQONS-UHFFFAOYSA-N	383.375	2.452	0	1	GEAF	
COc1cccc(CN[C@@H]2[C@H](c3ccc(C(F)(F)F)nc3)C[C@@H](O)[C@@H]2O)c1	2356286565	FTSDYEISOLXJEW-IDCNUPLLSA-N	382.382	2.477	0	1	GEAF	
O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O[C@H](CO)CCCO)c12	2356316502	RXBZEZVPSLSEAI-AWEZNQCLSA-N	388.372	2.089	0	1	GEAF	
O=C(NC1CCCCC1)O[C@@H]1CO[C@@H]2[C@H](NC(=O)C3CCCCC3)CO[C@@H]12	2356821968	FQNIFVAEVDNKMA-TVFCKZIOSA-N	380.485	2.277	0	1	GEAF	
CCN(CC)C(=O)c1cn(C)c2ccc(S(=O)(=O)N(CC)CC)cc2c1=O	4034806	ZFINNQHWKYOKQC-UHFFFAOYSA-N	393.509	2.051	0	3	GEAF	
O=C1Nc2ccc(-c3ccsc3)cc2C(=O)N2CCN(C(=O)C3CC3)C[C@H]12	4235866	KTNMGABXBSNNJW-QGZVFWFLSA-N	381.457	2.430	0	1	GEAF	biogenic
C[C@H]1CN(c2c(F)cc3c(=O)c(C(=O)O)c4scc5n4c3c2OC5)CCN1	13650210	VSLPFSLQYWOHBD-QMMMGPOBSA-N	389.408	2.042	0	1	GEAF	
O=C1[C@@H]2CCCN2C(=O)N1CN1CCN(c2cccc(C(F)(F)F)c2)CC1	13760034	ACGLKDBLGXFWDN-HNNXBMFYSA-N	382.386	2.212	0	1	GEAF	
COc1cc(O)cc([C@@H]2Oc3c(c(OC)cc4ccc(=O)oc34)O[C@@H]2CO)c1	15268961	DAQYGJQQKJBBJA-WBVHZDCISA-N	386.356	2.389	0	1	GEAF	biogenic
CCN(CC)C(=O)[C@H]1CCCN(c2nc(N)c3cc(OC)c(OC)cc3n2)C1	25964982	GQIQCCMFUWIPKY-ZDUSSCGKSA-N	387.484	2.314	0	1	GEAF	
O=C(/C=C/c1ccccc1)O[C@@H](c1ccccc1)[C@@H]1O[C@H]2CC(=O)O[C@H]2[C@@H]1O	40395380	GDYNBHXFRSGEGM-GVUDQUTJSA-N	380.396	2.428	0	1	GEAF	
CCCNC(=O)c1ccc(NC(=O)N2Cc3ccc([C@@H](O)CO)cc3C2)cc1	166162971	FOGQTHGKIIAZLN-IBGZPJMESA-N	383.448	2.400	0	1	GEAF	
COCCCn1ncc2ccc([C@H](C)N(C(=O)[C@H]3CNCCO3)C3CC3)cc21	204329972	GENLPJXAFKQZEP-MGPUTAFESA-N	386.496	2.113	0	1	GEAF	
Cc1cc(CNc2cc(OC[C@H]3C[C@@H]3c3ccc(F)cn3)nn(C)c2=O)n(C)n1	221924001	CGFLCFSODFCTIF-CJNGLKHVSA-N	398.442	2.151	0	1	GEAF	
CN(C)c1cccc2c(S(=O)(=O)NCc3nc4cnncc4[nH]3)cccc12	586941107	FXDPYNLHYFCFJG-UHFFFAOYSA-N	382.449	2.051	0	1	GEAF	
CNC(=O)[C@H]1C[C@@H]1c1nc2c(I)cnc(Cl)c2[nH]1	587236765	ZFPCLBJJKCZGPR-WHFBIAKZSA-N	376.585	2.065	0	1	GEAF	
CN1CCN(c2ccc(-n3c(O)cc(C(=O)O)c3O)cc2Br)CC1	587935027	AEBYBENZJFLWPM-UHFFFAOYSA-N	396.241	2.101	0	1	GEAF	
CC=C(C)C(=O)OC[C@](O)(CO)c1ccc(COC(=O)[C@H](C)CC)cc1O	2356483510	MGRZDBBGCVUJJM-ZUOKHONESA-N	380.437	2.171	0	1	GEAF	
O=C(C=Cc1ccccc1)O[C@H](c1ccccc1)[C@H](O)[C@@H]1OC(=O)C=C[C@H]1O	2356573260	HCJURVKKVSCZRL-XYEHWOGUSA-N	380.396	2.188	0	1	GEAF	
O=C(N[C@@H]1CO[C@H]2[C@H]1OC[C@H]2Nc1nccc(-c2ccccc2)n1)c1ccco1	2356815899	CWSFYVCTGMGIFW-ZAWLATJESA-N	392.415	2.113	0	1	GEAF	
COCCNC(=O)[C@]1(C)CCN(C(=O)COc2ccc(Cl)cc2Cl)C1	61908401	PLCMXUIOKPTNJA-QGZVFWFLSA-N	389.279	2.373	0	3	GEAF	
CNC(=O)NCc1cccc(CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)c1	206394115	SGTQVPLLVSUQGU-INIZCTEOSA-N	390.484	2.131	0	3	GEAF	
CCOc1ccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCCOCCO)cc1	4049173	OYSCZJFGJXURTE-FPOVZHCZSA-N	398.459	2.302	0	1	GEAF	
CCNC[C@H]1CCN(c2cc3c(c(N)c2F)c(=O)c(C(=O)O)cn3C2CC2)C1	13649681	LWSOMVSDXVVVAF-LLVKDONJSA-N	388.443	2.192	0	1	GEAF	
CC(=O)S[C@H](CC(=O)N1CCC[C@H]1C(=O)O)C(=O)c1ccc2c(c1)CCC2	27314523	WHCYDTKPNWWNJB-DLBZAZTESA-N	389.473	2.472	0	1	GEAF	
O=C(N[C@@H]1CCN2C(=O)N(c3ccc(F)cc3F)C(=O)[C@H]2C1)c1cccnc1	33862721	RYBZBNBDLUGUBF-CZUORRHYSA-N	386.358	2.089	0	1	GEAF	biogenic
O=C(O)CCN1CCC(CNC(=O)c2c3n(c4ccccc24)CCCO3)CC1	66251964	RLJUUWQXPYKPSF-UHFFFAOYSA-N	385.464	2.340	0	1	GEAF	
COc1cc(C)cc(OC)c1OC(=O)[C@H](CCS(C)(=O)=O)N1C=CCCC1	100013089	QUFAWPLCTTWGHW-HNNXBMFYSA-N	397.493	2.330	0	1	GEAF	
O=C(CCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2[C@H]2C[C@H]21)Nc1ccc(Cl)cc1O	195378633	CAXIQVSZUQAKEM-UDIGBJPKSA-N	386.835	2.427	0	1	GEAF	
COc1cc2[nH]c(-c3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3)nc2cn1	586946527	LURKQLUCHLBTDW-ZDUSSCGKSA-N	388.449	2.091	0	1	GEAF	
C[C@H](Sc1nc(N)cc(O)n1)c1nc2ccc(N3CCN(C)CC3)cc2[nH]1	586963323	ZTSXYVZTJDGCPD-NSHDSACASA-N	385.497	2.246	0	1	GEAF	
NS(=O)(=O)c1cccc2nc(CNC(=O)c3cccc(C(F)(F)F)c3)[nH]c12	587112879	VLXDCHSLESPMJE-UHFFFAOYSA-N	398.366	2.159	0	1	GEAF	
CC[C@H](c1nc2ccnc(N)c2[nH]1)n1cc(I)c(C)n1	587184236	GEPQSXSNJHOHCW-SNVBAGLBSA-N	382.209	2.649	0	1	GEAF	
CCOC(=O)N1CCC2(CC1)C[C@@H](NC(=O)CCOC)[C@@H]1CCCC[C@H]1O2	618016963	YMVKVQUHXRRBTM-GVDBMIGSSA-N	382.501	2.478	0	1	GEAF	
COc1ccc(CN[C@@H]2[C@H](c3ccc(C(F)(F)F)nc3)C[C@@H](O)[C@H]2O)cc1	2356670228	FZIMBKXTHCNMFS-BURFUSLBSA-N	382.382	2.477	0	1	GEAF	
Cc1ccc(C)c(NC(=O)Cn2nnc(-c3ccc(N4CCOCC4)cc3)n2)c1	878372	ALFWSWFNOGURCO-UHFFFAOYSA-N	392.463	2.432	0	3	GEAF	
O=C(NC1CCCCC1)[C@@H]1CCCN1S(=O)(=O)c1cccc2nsnc12	4077894	FDZJWKFFTIJLKJ-AWEZNQCLSA-N	394.522	2.293	0	3	GEAF	
C[C@H]1C(CSc2ccc3c(c2)CCC3=O)=C(C(=O)O)N2C(=O)[C@H]([C@@H](C)O)[C@@H]12	3824385	IPAGIHGPRWUGPH-VLNGCQGFSA-N	387.457	2.104	0	1	GEAF	
O=c1c(-c2cccs2)nc2cnc(N3CCNCC3)nc2n1-c1ccccc1	4238418	JFAXYQNGSPKXMP-UHFFFAOYSA-N	390.472	2.314	0	1	GEAF	
COc1ccc(C(=O)O)c(CN2CCc3cc4c(cc3C2=O)OCO4)c1OC	14556080	PXOACNNMNBWUHE-UHFFFAOYSA-N	385.372	2.329	0	1	GEAF	biogenic
CC(C)N1CNc2c(Nc3cccc(Cl)c3)nc(N(CCO)CCO)nc21	70719208	ZYIUCMNCVDTJAK-UHFFFAOYSA-N	392.891	2.262	0	1	GEAF	
Cc1cc(C)nc(N(COC(=O)C(C)(C)C)S(=O)(=O)c2ccc(N)cc2)n1	72179697	VXSBOXAQGVEMRI-UHFFFAOYSA-N	392.481	2.418	0	1	GEAF	
NC(=O)[C@H]1CCCN(c2ncc(C(=O)N3CCCC3)c(-c3ccccc3F)n2)C1	82151531	UATVOUCOZXMJDN-AWEZNQCLSA-N	397.454	2.220	0	1	GEAF	
O=C(Cc1ccccc1)O[C@H]1CCCC[C@@H]1n1cc(CN2CCOCC2)nn1	82152640	WEIHQDAGPYFALW-PMACEKPBSA-N	384.480	2.380	0	1	GEAF	
COc1cccc(C(=O)NC2C[C@@H]3CC[C@H](C2)N3c2ccc(C(N)=O)cn2)c1C	95560945	OXLJBVPQEUTXEX-ALOPSCKCSA-N	394.475	2.427	0	1	GEAF	
Cn1c(N2CCN[C@H](c3ccc(Cl)cc3)C2)nc(-c2ccncn2)cc1=O	116773194	GOOSNFHJOVCMSO-KRWDZBQOSA-N	382.855	2.042	0	1	GEAF	
CS(=O)(=O)NC1CCN(c2ncc(Cl)c(-c3ccccn3)c2F)CC1	166319846	LPSYJKZXUUPNFZ-UHFFFAOYSA-N	384.864	2.454	0	1	GEAF	
CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3c(O)nc(S)nc3[nH]2)cc1	586936876	BANGHIIQSMVIRV-MRVPVSSYSA-N	379.467	2.091	0	1	GEAF	
CCc1ccc2c(c1)[C@]1(CC(=O)c3cc(C)cc(N)c3O1)C(=O)N2CC(=O)O	587400057	OLCCDJRYBVFZOO-OAQYLSRUSA-N	380.400	2.432	0	1	GEAF	
Cc1nn(C)c(C)c1[C@@]1(C(N)=O)N[C@H](C)Cc2cc(Br)c(F)cc21	587754480	DOWWRTGPHPAHPD-RBHXEPJQSA-N	395.276	2.202	0	1	GEAF	
COc1cc([C@@]2(C)NCCc3c2c(C(C)C)nn3C)ccc1S(C)(=O)=O	962917972	MLNIPZRRNGFTDH-LJQANCHMSA-N	377.510	2.365	0	1	GEAF	
CN(C)C(=O)c1ccc2c(c1)[C@](c1ccc(Cl)c(Cl)c1)(C(O)O)NCC2	962921700	DDKLRZURCHMNPP-LJQANCHMSA-N	395.286	2.395	0	1	GEAF	
Cn1cc(I)c([C@@]2(C)NCCc3c(C(=O)O)cccc32)n1	963131269	NFLPLOHZBWRDGF-HNNXBMFYSA-N	397.216	2.132	0	1	GEAF	
Nc1ncc(CN2CCCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)c(N)n1	1772654466	JNVVHHVVTYREOX-UHFFFAOYSA-N	394.401	2.008	0	1	GEAF	
Cc1ccc(CN2C[C@@H](C)[C@@H](c3nc(=O)c4cnc(C5CCOCC5)n4[nH]3)C2)o1	1772655690	XICIHBUBEUWHBA-DYVFJYSZSA-N	397.479	2.449	0	1	GEAF	
C[C@@H]1CCc2cc(F)cc3c(O)c(C(=O)NC[C@@H]4CCCN(C)C4)c(=O)n1c23	1857575654	LWKSFZWBFDVACE-OLZOCXBDSA-N	387.455	2.425	0	1	GEAF	
Nc1ncnc2c1c(-c1ccc3c(c1)OCO3)cn2[C@H]1CCN(CCCO)C1	1857605309	OJBAYLYJATVPRV-AWEZNQCLSA-N	381.436	2.038	0	1	GEAF	
CC(C)(CCc1cccc(O)c1)NC[C@@H](O)c1cc(O)cc2c1OCC(=O)N2	1911575789	CTLSGLQXWOAPPK-GOSISDBHSA-N	386.448	2.463	0	1	GEAF	
CC(=O)O[C@@]1(c2ccc3c(c2)OCO3)C(=O)OC[C@@H]1Cc1ccc2c(c1)OCO2	2356474897	HKKUYQLJIRAPRD-YCRPNKLZSA-N	398.367	2.318	0	1	GEAF	
O=C(C=Cc1ccccc1)O[C@H](c1ccccc1)[C@@H]1O[C@@H]2CC(=O)O[C@@H]2[C@@H]1O	2356589358	GDYNBHXFRSGEGM-DENWASCKSA-N	380.396	2.428	0	1	GEAF	
Cc1nn(-c2ccccc2)c2c1c(C)c(CCC(=O)N1CCOCC1)c(=O)n2C	9526368	YMXVMSQOKAESTA-UHFFFAOYSA-N	394.475	2.132	0	3	GEAF	
CCN(CC)Cc1cn(Cc2c(Cl)c(Cl)cc3[nH]c(=O)c(=O)[nH]c23)nn1	13863000	QYYDUCBTNGPPOV-UHFFFAOYSA-N	397.266	2.005	0	1	GEAF	
CC1CCN(C(=O)c2ccc3c(c2)NC(=O)[C@H](N2CCOCC2)S3)CC1	20724339	OHWZUKOQAJNDIH-LJQANCHMSA-N	375.494	2.261	0	1	GEAF	
CCOC(=O)Nc1cc(N[C@H](C)[C@H](O)COc2ccccc2)c(N)c(N)n1	27196363	QHSMGQXDRPDLAM-BXUZGUMPSA-N	375.429	2.055	0	1	GEAF	
Nc1ncnc2c1ncn2CCOC[P@]1(=O)OCC[C@@H](c2ccncc2)O1	28974784	CAYVBFCJRWSTJY-CEXHIMGSSA-N	390.340	2.149	0	1	GEAF	
N[C@H]1NC=Nc2c(CN3C[C@H](O)[C@H](CSc4cccc(Cl)c4)C3)c[nH]c21	34803653	AJIYTACJJDEROQ-QITLCBANSA-N	391.928	2.473	0	1	GEAF	
c1ccc(CN[C@@H]2CO[C@@H]3[C@@H](Nc4nccc(-c5cccs5)n4)CO[C@H]23)nc1	36368486	BUXUCNNGXPRQHJ-UKBAYJJMSA-N	395.488	2.337	0	1	GEAF	biogenic
CN(C)CC(=O)N(C)c1ccc2[nH]c(-c3c(N)c4ccccc4[nH]c3=O)nc2c1	40957237	WNVADWMUVOLRPY-UHFFFAOYSA-N	390.447	2.178	0	1	GEAF	
Cc1ccc(S(=O)(=O)NC[C@H]2C[C@H]3CCN2C[C@@H]3CN2CCCC2)cc1	43526965	IKRYLIKKYBXONJ-CEXWTWQISA-N	377.554	2.080	0	1	GEAF	biogenic
Cn1nc(Cc2cccs2)c2c3c(c(=O)[nH]c21)CN(C(=O)N1CCCC1)CC3	82196160	SXSBBNOOFXWLAK-UHFFFAOYSA-N	397.504	2.488	0	1	GEAF	
O=c1c(NCc2ccccc2F)c2n(c(=O)n1Cc1ccc(F)cc1)CCN2	82204570	HQZSISRRHSOWPM-UHFFFAOYSA-N	384.386	2.374	0	1	GEAF	
CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@H](C)NC[C@H]1C	95679876	CWLHXXSWRNJMCP-BIENJYKASA-N	389.496	2.129	0	1	GEAF	
O=C(C1CCC1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(-c3cccnc3)cc1)[C@@H]2CO	95797356	QVDWJLNEJREBMG-RZUBCFFCSA-N	391.471	2.046	0	1	GEAF	
Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccnc(C2(C)CC2)n1	96272371	URGNTPNJBQTGQN-LBPRGKRZSA-N	386.481	2.442	0	1	GEAF	
Cc1nc(N)nc2c1cc(-c1cnc3[nH]ccc3c1)c(=O)n2C[C@@H]1CCCO1	117702874	FTLUSDJTXDOWEA-AWEZNQCLSA-N	376.420	2.404	0	1	GEAF	
COC1CCC2(CC1)Cc1ccc(C3=C[C@H](O)CC3)cc1[C@@]21N=C(N)N(C)C1=O	140834971	RTVDLYZFLHMNIS-CLXXRJCJSA-N	395.503	2.338	0	1	GEAF	
CC1=NC(=O)N[C@@H](c2ccc(S(C)(=O)=O)cc2)[C@H]1C(=O)OC1CCCC1	169719467	DAJJZZNDYPYDRI-HOTGVXAUSA-N	378.450	2.417	0	1	GEAF	
CN1CCN(Cc2ccc(NC(=O)c3ccc4nc(CCO)[nH]c4c3)cc2)CC1	586894372	BLWFSSBKDURSEB-UHFFFAOYSA-N	393.491	2.097	0	1	GEAF	
CC(C)NS(=O)(=O)c1ccc(-n2ncc3ccc(Cl)cc3c2=O)nc1	587654650	MPYRWWGRISEWAL-UHFFFAOYSA-N	378.841	2.121	0	1	GEAF	
CNC(=O)[C@H](C)c1ccc(O[C@@H]2CCN(c3nc(N(C)C)ncc3F)C2)cc1	1772619856	JEHLVXURUVNFDR-CZUORRHYSA-N	387.459	2.189	0	1	GEAF	
Cc1cnc([C@@H]2CCN(C(=O)OC3[C@H]4CC5C[C@H]3CC(C(N)=O)(C5)C4)C2)nc1	1772635281	CINCWJQEOIGUIU-QMXLMGCESA-N	384.480	2.391	0	1	GEAF	
CCOC(=O)[C@@H](C(C)=O)c1nc(C)nc2c1nnn2Cc1ccccc1Cl	1347439	XJJBSQQXRVIITG-AWEZNQCLSA-N	387.827	2.467	0	3	GEAF	
COc1cc(Cl)ccc1OCc1cc(C(=O)N[C@H]2CCCCNC2=O)no1	12202805	IVWOLVGYOCTFHY-ZDUSSCGKSA-N	393.827	2.314	0	3	GEAF	
O=C(CN1C(=O)CN=C(c2ccccc2)c2ccccc21)NC[C@@H]1CCCO1	4972138	NPWSREQBFSOIBV-KRWDZBQOSA-N	377.444	2.166	0	1	GEAF	
CN(C)CCN(C)C[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=S)Nc1ccccc1	20503823	LWLOMBPCYHHFOD-CMKODMSKSA-N	389.613	2.177	0	1	GEAF	biogenic
CC(=O)NCCCN1CCn2cc(C(=O)O[C@H](C)C(C)(C)C)c(C)c2C1=O	28571134	VLNWRTWZCHZUPM-CQSZACIVSA-N	377.485	2.370	0	1	GEAF	
COC(=O)C[C@H](CO)CC[C@@]1(C)[C@H](C)C(=O)C[C@@]23COC(=O)C2=CCC[C@@H]31	38209149	LOJULOSPWTXYPL-JKIZDXAZSA-N	378.465	2.433	0	1	GEAF	
CC(=O)NCCNC(=O)c1cnc(N(C)CC(C)C)nc1-c1cccc(C)c1	82147271	ONJOSEMAHICHHD-UHFFFAOYSA-N	383.496	2.410	0	1	GEAF	
COc1cc(C(=O)O[C@H]2C[C@H]3[C@H](OC(C)=O)C[C@@H](C2)N3C)cc(OC)c1OC	95911398	WJICHKNOWJBIKJ-LVQVYYBASA-N	393.436	2.036	0	1	GEAF	biogenic,in-vitro
O=C1CCN(c2nccnc2OC2CN(c3ccc4ccccc4n3)C2)CC1	96168782	AHHRTVLCJOTSHD-UHFFFAOYSA-N	375.432	2.462	0	1	GEAF	
C[C@H](O)CNC(=O)CNC(=O)Cc1nc2ccc(-c3ccccc3)cc2s1	146216506	ULWIMLYODCBBQM-ZDUSSCGKSA-N	383.473	2.119	0	1	GEAF	
CCN(CC)S(=O)(=O)c1ccc2nc(CS(=O)(=O)C3CCCC3)[nH]c2c1	586924039	FQIZNCVSMXEKOF-UHFFFAOYSA-N	399.538	2.451	0	1	GEAF	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)Cc1cc(O)nc(O)n1	587867922	QVMDWDHZFMPUFO-UHFFFAOYSA-N	395.297	2.057	0	1	GEAF	
Cc1c(C(=O)Nc2ccccc2)sc(NC(=O)N2CCOCC2)c1C(N)=O	1857555206	JTOPCMSMXITRJC-UHFFFAOYSA-N	388.449	2.272	0	1	GEAF	
CCC(CC)C(=O)N1CC[C@](C)(O)[C@@H](NC(=O)COC)[C@H]1c1cccs1	2356289178	QZZRWWWDCYRTRP-AOIWGVFYSA-N	382.526	2.340	0	1	GEAF	
CC=C1CN(C)C[C@@]2(C(=O)OC)Cc3c(n(OC)c4ccccc34)C(=O)C[C@H]12	2356416012	FFGSUUFWXITFBY-VGSWGCGISA-N	382.460	2.496	0	1	GEAF	
CC1(C)C(=O)c2ccc(Br)cc2[C@@H](Oc2ccc(=O)[nH]n2)[C@@H]1O	13832193	OSBVCNICJGMYOR-HIFRSBDPSA-N	379.210	2.236	0	1	GEAF	
CO[C@@H]1C[C@@](C)(NC(=O)C(F)(F)F)[C@@H]2O[C@@H](c3ccccc3)OC[C@@H]2O1	17257712	JSDNZWQQFHOALK-JHZZJYKESA-N	375.343	2.299	0	1	GEAF	
CN(CCc1ccccc1)Cc1cn(C[C@H](O)COC(=O)c2ccccc2)nn1	73197304	LGPBDXPQABVBIL-NRFANRHFSA-N	394.475	2.171	0	1	GEAF	
CCC(=O)N1[C@H](CO)[C@H]2c3ccccc3N(C(=O)c3ccc4c(c3)OCO4)C[C@H]21	95893997	JMVPXSPCBDXTLG-LZJOCLMNSA-N	394.427	2.141	0	1	GEAF	
CC(=O)c1c(C(F)(F)F)[n+](=O)c2cc(F)c(N3CCC(O)CC3)cc2n1O	653688014	QEJYNEFUSNTKMK-UHFFFAOYSA-N	390.313	2.115	0	1	GEAF	
COC(=O)[C@@H]1C[C@@]23C4=C(CC[C@@H]41)CC[C@H]1CN4C[C@H](C)[C@H](CC[C@@]12CO)[C@]43O	2356460723	GZPYJGXSOJGYKK-UVOYHRSPSA-N	387.520	2.325	0	1	GEAF	
CC[C@@H]1[C@@H](O)[C@H]2CN3CCc4c([nH]c5ccc(OC)cc45)[C@@](C(=O)OC)(C2)[C@@H]13	2356484438	UKYBFFVWOWRLGX-UMGBQVAOSA-N	384.476	2.235	0	1	GEAF	
CC[C@H]1CN2CCC3=c4c(OC)cccc4=NC3=C2C[C@H]1C(=COC)C(=O)OC	2356838247	LRKSTCBIGUUOED-GOEBONIOSA-N	396.487	2.146	0	1	GEAF	
CN(C(=O)CSc1nncn1C)[C@@H]1CCCN(Cc2ccccc2F)C1	12205974	XFHTYQHDVCDUPL-OAHLLOKOSA-N	377.489	2.169	0	3	GEAF	
COc1ccc2c(c1OC)CC(=O)N1CCc3cc4c(cc3C(=O)[C@@H]21)OCO4	6018936	RIGDPEKYCIWKDD-LJQANCHMSA-N	381.384	2.297	0	1	GEAF	biogenic
COc1ccc(COc2cc(OC)c(OC)c(OC)c2)cc1OC[C@H](O)CO	13607907	MGYHEJDITQIJLQ-CQSZACIVSA-N	394.420	2.032	0	1	GEAF	
COc1ccc(C[C@]2(O)C(=O)OC[C@H]2Cc2ccc3c(c2)OCO3)cc1OC	14646941	XQAPIFWFLMEZDZ-QVKFZJNVSA-N	386.400	2.122	0	1	GEAF	biogenic
CCOC(=O)[C@@H](NC(=O)/C=C/c1ccccc1)NC(=S)Nc1ccccn1	28340588	AXUDTKPOEANALF-FLVLSHQESA-N	384.461	2.087	0	1	GEAF	
COCCc1ccc(OC[C@@H](O)CN[C@H](C)[C@@H](O)c2ccc(O)cc2)cc1	28469549	KVDVMDRYKYWOAE-MFMILTCTSA-N	375.465	2.033	0	1	GEAF	
CCN1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)CC1	45506285	HMHYTYGWEUHDKI-UHFFFAOYSA-N	394.450	2.431	0	1	GEAF	
Cn1c(=O)c2c(nc(SCCc3ccc(C(F)(F)F)cc3)n2C)n(C)c1=O	95562687	GKEJDMWBDBMVLG-UHFFFAOYSA-N	398.410	2.324	0	1	GEAF	
C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(C)=O)[C@@H]2CN(C(=O)COC)C(C)C)cc1	95895729	HKSWFDSECWATDS-MELBIQRFSA-N	388.508	2.278	0	1	GEAF	
O=C(Cc1cccnc1)N1[C@@H](CO)[C@@H](c2ccccc2)[C@@H]1CNCC1CCC1	95895772	SGKWCGWZPXXLRV-FUDKSRODSA-N	379.504	2.369	0	1	GEAF	
COc1cc(N/C(=C/[N+](=O)[O-])NCCCn2cnc(C)c2)cc(OC)c1OC	147492835	QXWLNJOMXZMNTB-GZTJUZNOSA-N	391.428	2.385	0	1	GEAF	
O=S1(=O)CCCN1C[C@H](O)Cn1c2cc(F)ccc2c2ccc(F)cc21	148517301	FPYAHDSHKCWDQD-AWEZNQCLSA-N	380.416	2.469	0	1	GEAF	
O=C(c1cccc(C(F)(F)F)c1F)N1CCc2c(nnn2-c2cnccn2)C1	218464485	SZOWCWXAPMWRNX-UHFFFAOYSA-N	392.316	2.414	0	1	GEAF	
COc1cc2c(cc1OC)[C@@]1(C(=O)Nc3cc(C(=O)O)ccc31)N(C)[C@H](C)C2	962618053	DVNYVAOIYLISOD-FIKIJFGZSA-N	382.416	2.474	0	1	GEAF	
C[C@@H](n1cc(-c2cccnc2)nn1)[C@](O)(Cn1cncn1)c1ccc(F)cc1F	1857629391	ZMJCUVSWPNEQQC-BFUOFWGJSA-N	397.389	2.359	0	1	GEAF	
O=C(C1CCN(Cc2c[nH]nc2-c2ccc(F)cc2F)CC1)N1CCOCC1	11936468	XXRZYZFGFTXJKP-UHFFFAOYSA-N	390.434	2.426	0	3	GEAF	
Cc1ccc(NC(=O)Cc2ccc(F)cc2)c(S(=O)(=O)N2CCOCC2)c1	201471687	KGSJBHHOQURNGF-UHFFFAOYSA-N	392.452	2.336	0	3	GEAF	
OC[C@@H]1[C@H](O)C[C@H](NCc2ccccn2)[C@@H]1Cc1ccnc(-c2ccccc2)n1	2356491169	DYFZRJVDQAVGKL-CLAROIROSA-N	390.487	2.229	0	1	GEAF	
COC(=O)[C@H](C)[C@@H]1CC[C@](C)(O)[C@H](O)CCC(C)=CCC[C@](C)(O)[C@@H](O)C1	2356687357	MSLVWANTCSFXCQ-ZSPTZRBXSA-N	386.529	2.326	0	1	GEAF	
CC[C@]12C=CCN3CC[C@]4(c5ccc(OC)cc5N[C@@H]4[C@](O)(C(=O)OC)C1)[C@H]32	2356758864	MLIQIRKAHMVCDD-PLSULTGPSA-N	384.476	2.075	0	1	GEAF	
O=C(N1CCc2ccccc2C1)n1cnc(S(=O)(=O)[C@@H]2C[C@H]3CC[C@@H]2C3)n1	473090905	QGALYFXQPZEQJM-YSVLISHTSA-N	386.477	2.267	0	1	GEAF	
CNS(=O)(=O)c1sccc1[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	587448044	HLCOGPAGTMVSMT-SJKOYZFVSA-N	379.459	2.328	0	1	GEAF	
Cn1nccc1CS(=O)(=O)Cc1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1	586922589	AVNDDKPTIJETDC-UHFFFAOYSA-N	396.476	2.243	0	1	GEAF	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cnc(O)n(C)c2=O)N1	587792235	HMMDDNUNDUVQSG-ZKANADHPSA-N	382.233	2.185	0	1	GEAF	
NCC[C@]1(c2ccccc2N)N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21	962973136	VBPUKGVWOBKUFX-KBXCAEBGSA-N	381.810	2.392	0	1	GEAF	
CCOC(=O)C1=C(N)Oc2n[nH]c(C)c2[C@@H]1c1cc(=O)oc2ccc(C)cc12	1772632892	PSMIBICBUVHJFV-INIZCTEOSA-N	381.388	2.391	0	1	GEAF	
COC(=O)C[C@@H](c1ccc(OC)c(OC)c1)N1C(=O)c2ccc(N)cc2C1=O	5854393	RPOHNDGOZDRWKA-HNNXBMFYSA-N	384.388	2.186	0	1	GEAF	
COc1ccc2c3c([nH]c2c1)[C@@H]1C[C@@H]2[C@H](C[C@@H](O)[C@@H](OC)[C@H]2CO)CN1CC3	169293154	YCLAQLTVHNAEEQ-FPHNXIMUSA-N	386.492	2.100	0	1	GEAF	
NC[C@@H](NC(=O)c1ccc(-c2ccc(Cl)nc2)[nH]1)c1nc(CO)cs1	1857621268	YFQHISNHMXIJIR-CYBMUJFWSA-N	377.857	2.109	0	1	GEAF	
Cc1nc2nc(C)c(CCC(=O)N3CCN(Cc4ccccc4)CC3)c(C)n2n1	20282830	ISTCDKQPXORLJF-UHFFFAOYSA-N	392.507	2.327	0	1	GEAF	
O=C(NCCCN1CCCC1)c1ccc2c(=O)n(C3CCCCC3)c(=O)[nH]c2c1	28642565	VUEGUFHUYCUAHT-UHFFFAOYSA-N	398.507	2.411	0	1	GEAF	
CC[C@H]1[C@H]2OC(=O)[C@@](C)(O)[C@H]2[C@]23CC[C@@H]([C@@H]4C[C@H](C)C(=O)O4)N2CCCC[C@H]13	70454817	SVSUKQDSRBZWNP-MYKAZKENSA-N	391.508	2.274	0	1	GEAF	biogenic,in-vitro
CN(C[C@H]1[C@@H](c2ccccc2)[C@@H](CO)N1C(=O)C1CCC1)C(=O)c1ccncc1	95668255	UEALSHKUCSTJON-PWRODBHTSA-N	393.487	2.309	0	1	GEAF	
CC(=O)N1[C@@H](CO)[C@H](c2ccccc2)C12CN(C(=O)Nc1ccccc1F)C2	95872031	ZJGXAGIMFGTWDO-OALUTQOASA-N	383.423	2.419	0	1	GEAF	
O=C(NCc1ccc(S(=O)(=O)c2ccccc2)cc1)c1cn2ccnc2cn1	96282785	KGPYDYAXVWXCHJ-UHFFFAOYSA-N	392.440	2.492	0	1	GEAF	
COc1ccc(Nc2ncc(CCO)cc2-c2nc(C)nc3[nH]cnc23)cn1	113153078	PFEQTXMFFPPYOF-UHFFFAOYSA-N	377.408	2.405	0	1	GEAF	
CO[C@H](C)[C@H]1[C@@H]2C[C@H]3C4=Nc5ccccc5[C@]45C[C@@H]([C@@H]2[C@@H]5OC(C)=O)N3[C@@H]1O	169289612	XHABFDBTVXEZFH-SLNVAJKOSA-N	382.460	2.018	0	1	GEAF	
C=CC(=O)N1CC[C@@H](Nc2nc(Nc3cnn(C)c3)nc3[nH]cc(Cl)c23)C1	220436158	RXBDWKOPPQVHIA-SNVBAGLBSA-N	386.847	2.287	0	1	GEAF	
CCN(CC)S(=O)(=O)c1cccc(-c2nc3[nH]c(=N)[nH]c(Cl)c-3n2)c1	586930966	QSZAYJRIZSVYNO-UHFFFAOYSA-N	380.861	2.068	0	1	GEAF	
CN(C)CCN(C)C[C@@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)Nc1ccsc1	2356320969	CSTRZSVUFCZMNE-LZLYRXPVSA-N	379.574	2.073	0	1	GEAF	
CC(C)S(=O)(=O)N1CC[C@H](CC(=O)O)[C@@H](Cc2nc3ccc(F)cc3[nH]2)C1	2356334704	LUWPAXNREUHKRU-OLZOCXBDSA-N	397.472	2.396	0	1	GEAF	
COc1ccc(-c2noc(-c3ccccc3OC)c2C(=O)NC[C@H](O)CO)cc1	774486	SDEGMBXVAHTKRY-AWEZNQCLSA-N	398.415	2.109	0	1	GEAF	
O=S(=O)(c1ccccc1)[C@]1(CCC2OCCO2)C=CC2(CC1)OCCO2	1636577	LLJKDTUFFIWAGL-GOSISDBHSA-N	380.462	2.445	0	1	GEAF	
Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2CC(=O)NCc1ccccc1	6916371	XDKWAVDPUDHOOV-UHFFFAOYSA-N	378.354	2.379	0	1	GEAF	
CN1C(=O)c2c(ccc3c2OCO3)[C@]2(C)[C@@H](O)Cc3cc4c(cc3[C@H]12)OCO4	13408888	KUCVHCLYIAWDLU-NBHGPNQESA-N	381.384	2.146	0	1	GEAF	biogenic
CC(=O)CCCCCn1c(=O)c2c(ncn2CCCCCC(C)=O)n(C)c1=O	13652431	MRAYRZWRLTWPEW-UHFFFAOYSA-N	390.484	2.196	0	1	GEAF	
Cc1nc2sc([C@H](c3ccc(F)cc3)N3CCC(C(N)=O)CC3)c(O)n2n1	23157478	GWBKIPXQMANPPP-AWEZNQCLSA-N	389.456	2.231	0	1	GEAF	
CC(C)C[C@@H](C(=O)N[C@H](C(=O)Nc1nccs1)C(C)C)[C@H](C)N(O)C=O	26273521	NCKDXXIBASBEEV-MJBXVCDLSA-N	384.502	2.121	0	1	GEAF	
CCc1c2c(nc3ccc(O)cc13)[C@H]1C=C3[C@@H](COC(=O)[C@@]3(O)CC)C(=O)N1C2	26654106	QTQXEMLATWTPSP-YBOAYWMSSA-N	394.427	2.140	0	1	GEAF	
CC(=O)Nc1ccc(CC[C@H](C)NC[C@@H](O)c2ccc(O)c(C(N)=O)c2)cc1	27740659	OSEWZPSLFHONKO-RNODOKPDSA-N	385.464	2.094	0	1	GEAF	
CO[C@H](c1ccccc1)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)[nH]1	28644189	ZATOTELSUBHSFV-QGZVFWFLSA-N	383.379	2.280	0	1	GEAF	
CC(=O)Oc1c(C)c(C)c2c(c1C)CC[C@](C)(C(=O)NCCCO[N+](=O)[O-])O2	28876802	WNOKAICEWGLUQY-LJQANCHMSA-N	394.424	2.335	0	1	GEAF	
NC(=O)[C@@H](Cc1c[nH]cn1)NCc1ccc(OCc2ccccc2F)c(F)c1	34525155	LUZWHORHJPQFDA-GOSISDBHSA-N	386.402	2.453	0	1	GEAF	
COc1c2c(cc3c1[C@H](O)[C@H]1COC(=O)[C@@H]1[C@@H]3c1ccc3c(c1)OCO3)OCO2	95559250	GTFKUBXSHHHPRX-QOQPWIFLSA-N	398.367	2.121	0	1	GEAF	
COCC(=O)N1CC[C@@H](Oc2ccc(NC(=O)N3Cc4ccncc4C3)cc2)C1	165875626	YNCBDYVUEPQWSP-LJQANCHMSA-N	396.447	2.255	0	1	GEAF	
CO[C@H](C)[C@H]1[C@H]2C[C@H]3C4=Nc5ccccc5[C@]45C[C@@H]([C@@H]2[C@@H]5OC(C)=O)N3[C@@H]1O	169289611	XHABFDBTVXEZFH-RGATZEQQSA-N	382.460	2.018	0	1	GEAF	
COCCOC(=O)Nc1cccc(NC(=O)C(=O)N[C@H](C)c2cnn(C)c2C)c1	169686543	VZFRHEMRUFNIJN-LJQANCHMSA-N	403.439	1.739	0	1	GEAF	
COC(=O)[C@@H]1C[C@@]23C4=C(CC[C@@H]41)CC[C@H]1CN4C[C@@H](C)[C@@H](C=C[C@@]12CO)[C@@]43O	195069438	KJJSHRRLRCGALL-KJJLPHNWSA-N	385.504	2.101	0	1	GEAF	
Cc1ncncc1-c1ccc2c(c1)[C@@]1(COC(N)=N1)C1(COC1)C1(CCC1)O2	220718334	ZNEBJRVYFYIQSP-NRFANRHFSA-N	378.432	2.324	0	1	GEAF	
C[C@H](N[C@H](CCc1ccccc1)C(=O)O)C(=O)N1Cc2ccccc2[C@H]1C(=O)O	253632656	CUKQMSYVQGXHKG-KYNGSXCRSA-N	396.443	2.219	0	1	GEAF	
Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1[C@@](O)(c1nccn1C)C(F)(F)F	587650326	RWUBTYHOFGWUCK-OAHLLOKOSA-N	387.383	2.412	0	1	GEAF	
Cn1ccc(CC(=O)Nc2ccc(-n3c4c(c5nc[nH]c(=N)c53)CCC4)cc2)n1	1857583450	IDPBKRGMEZTATQ-UHFFFAOYSA-N	387.447	2.236	0	1	GEAF	
CC(C)CCC[C@@H](C)CC[n+]1ccn(CC(P(=O)(O)O)P(=O)(O)O)c1	1857606898	DQVQVGCOJWOQNN-CQSZACIVSA-O	397.369	2.310	0	1	GEAF	
Cc1cn2c(-c3cn[nH]c3)cnc2c(=Nc2cc(Cc3cnccn3)ns2)[nH]1	1857757605	RWYBWOQOJKMXBT-UHFFFAOYSA-N	389.448	2.431	0	1	GEAF	
Cc1nccc(C[C@@H]2[C@H](NCc3ccc(C(F)(F)F)cc3)C[C@@H](O)[C@H]2CO)n1	2356289342	UDLSABIBQSHRSF-INDMIFKZSA-N	395.425	2.494	0	1	GEAF	
O=C(O)c1ccc(CN2C[C@@H]3OCC(=O)N(Cc4ccc(F)cc4)[C@H]3C2)cc1	2356494318	ZVMHKBOISLRDAV-OALUTQOASA-N	384.407	2.136	0	1	GEAF	
COC(=O)C1=CC[C@@]23CC[C@@H]([C@@](C)(CCC(=O)O)OC2=O)[C@]3(OC(C)=O)CC1	2356586005	IQFROZIBHYYWNH-NDSDBLNTSA-N	394.420	2.148	0	1	GEAF	
CN1CCN(C(=O)c2ccc(-n3c(=S)[nH]c4ccccc4c3=O)cc2)CC1	2969857	DLRNIMFFQVLLII-UHFFFAOYSA-N	380.473	2.436	0	1	GEAF	
C[C@H]1CN(c2c(F)cc3c(=O)c(C(=O)O)cn([C@H]4C[C@@H]4F)c3c2F)CCN1	27083671	ZKANFWGDCSTQRW-QWRKXWFKSA-N	381.354	2.059	0	1	GEAF	
O=S1(=O)NCc2ccccc2N1C1CCN(C2Cc3ccccc3C2)CC1	28387532	SILNMLUBNWDOCT-UHFFFAOYSA-N	383.517	2.473	0	1	GEAF	
Cc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)N1CCOc2ccccc2C1	39380774	HOFLOSNQDRVPSO-FQEVSTJZSA-N	393.487	2.107	0	1	GEAF	
Cc1nc(Nc2cccnn2)cc(-c2c(Nc3cc[nH]n3)nc3cccnn23)n1	95554796	RHLKAAGLEWHOFV-UHFFFAOYSA-N	385.395	2.495	0	1	GEAF	
CCCN1[C@@H]2c3cccc(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)N[C@H](C)c1ccccc1	95796993	ZESUQDBSRMXGBY-VWDMSMLESA-N	395.503	2.099	0	1	GEAF	
NC(=O)c1ccc2nc(-c3ccc(S(=O)(=O)NCc4ccco4)cc3)[nH]c2c1	135749032	NFWMLKAMNMTQBE-UHFFFAOYSA-N	396.428	2.400	0	1	GEAF	
CS(=O)(=O)N1CCC[C@@H](Nc2ncccc2-c2cnc3[nH]ccc3n2)CC1	169262767	AUWLNQDLZOSAFU-CYBMUJFWSA-N	386.481	2.246	0	1	GEAF	
CS(=O)(=O)c1ccc(N2C[C@H](CN)[C@@H](c3cc(F)ccc3F)CC2=O)cc1	169312405	IWTAAQGDAJIDDF-LRDDRELGSA-N	394.443	2.464	0	1	GEAF	
O=C(Nc1ccc(OC(F)(F)F)cc1)N[C@H]1COc2nc([N+](=O)[O-])cn2C1	218418627	OOFRZDPLXWOZAD-SECBINFHSA-N	387.274	2.273	0	1	GEAF	
COC(=O)C1=CCC[C@H]2[C@@]1(CO)CC[C@@H](C)[C@]2(C)CCC1=C[C@@H](O)OC1=O	238746432	BYFSMZRCILPVAM-LDLGKWBMSA-N	378.465	2.493	0	1	GEAF	
CCOC(=O)c1c([C@H]2N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)cnn1C	962727967	BMVWBUQKYWZSCO-KBPBESRZSA-N	381.354	2.332	0	1	GEAF	
CC(=O)Nc1nc(-c2cccc(NS(=O)(=O)c3cn(C)cn3)c2)cs1	1259000846	UMEOLAROLMIQEX-UHFFFAOYSA-N	377.451	2.303	0	1	GEAF	
O[C@@H]1CC(CNCc2cccnc2)(COc2ccc(C(F)(F)F)cn2)C[C@H]1O	2356455070	FUIIMYBQZDDCPM-HZPDHXFCSA-N	397.397	2.166	0	1	GEAF	
O=C(NCCc1ccccc1)[C@@H]1CCCN(S(=O)(=O)N2CCCCCC2)C1	6921570	LUCNISGKTGWEHH-LJQANCHMSA-N	393.553	2.178	0	1	GEAF	
CN1[C@@H]2CCC[C@@H]1CC(NC(=O)c1cccc3oc(N4CCOCC4)nc13)C2	101372557	RXDWERDONCYTQT-HZPDHXFCSA-N	384.480	2.410	0	1	GEAF	
CCO[C@@H]1CC[C@@]2(CC(=O)c3cc(O)ccc3O)C(=O)OC[C@]12C(OC)OC	2356586558	FKTBPUPWFHCNQN-NSISKUIASA-N	394.420	2.018	0	1	GEAF	
c1cc(-c2cnc3c(-c4cn[nH]c4)cnn3c2)ccc1OCCN1CCOCC1	64513684	JRKYKAKARRYSSS-UHFFFAOYSA-N	390.447	2.497	0	1	GEAF	
CCc1c2c(nc3ccc(O)cc13)[C@@H]1C=C3[C@@H](COC(=O)[C@]3(O)CC)C(=O)N1C2	40460459	QTQXEMLATWTPSP-QRFQSNJMSA-N	394.427	2.140	0	1	GEAF	
NC(=O)c1ccc(NC(=O)[C@@H]2CNC[C@@H]2c2cccc(F)c2)c2cccnc12	143717478	ZPPZCXJBRXNTAK-IAGOWNOFSA-N	378.407	2.415	0	1	GEAF	
CCC(=O)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(-c4ccccc4F)cc3)[C@@H]2C1	95866768	HSZXWGUUBZPEQX-IPJJNNNSSA-N	382.435	2.400	0	1	GEAF	
CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@@H](C)NC[C@H]1C	95679881	CWLHXXSWRNJMCP-LPMFXHHGSA-N	389.496	2.129	0	1	GEAF	
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CC[C@H]([C@H](C)NC)C3)c(OC)c21	253639340	ZVNHDSDGQFFAIC-RYUDHWBXSA-N	391.443	2.302	0	1	GEAF	
O=S(=O)(N[C@H]1CC[C@@H](c2nnc3cnc4[nH]ccc4n23)C1)c1ccccc1	473247964	KPSRQJYQEQPNTA-OLZOCXBDSA-N	382.449	2.220	0	1	GEAF	
O=C(O)Cc1ccc(=O)n(Cc2ccccc2S(=O)(=O)c2ccccc2)c1	653723608	LSVRTHCHXIFKTF-UHFFFAOYSA-N	383.425	2.357	0	1	GEAF	
COC(=O)[C@@H]1CNCC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1	587349042	SWPZVQILKACCKI-MDKPJZGXSA-N	385.391	2.412	0	1	GEAF	
Nc1nc(O)c2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)[nH]c2n1	586966766	RETLUJALOZBOFC-UHFFFAOYSA-N	394.464	2.450	0	1	GEAF	
CS(=O)(=O)Nc1ccc(-c2nc3cc(CN4CCOCC4)ccc3[nH]2)cc1	586951376	YYNJKGORSSWHLN-UHFFFAOYSA-N	386.477	2.434	0	1	GEAF	
CN(C)Cc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@H](CO)C3)cc1	1772603673	HUBSGXCDUQSQLS-ZDUSSCGKSA-N	387.505	2.258	0	1	GEAF	
CC[C@H](C)[C@H]1CNC(=O)C(=O)N1CCCc1cc(OC)c(OC)c(OC)c1	13662267	IQFQCRGBJDNMMI-DZGCQCFKSA-N	378.469	2.018	0	3	GEAF	
CN[C@@H](C)C(=O)N[C@@H](C(=O)N[C@@H](C)C(=O)Nc1cccc2ccccc12)C(C)C	169355906	JSZPIOJRNMIRQD-YZVOILCLSA-N	398.507	2.032	0	1	GEAF	
Cc1c(F)c(N2CCN[C@@H](C)C2)c(F)c2c1c(=O)c(C(=O)O)cn2C1CC1	3783884	GJJSZBAIPMVPLO-VIFPVBQESA-N	377.391	2.419	0	1	GEAF	
CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H]2CCCC[C@@H]2O)N(C(=O)c2ccco2)C1	4547586	QPCJRTYAFRCPPY-NCOADZHNSA-N	378.469	2.099	0	1	GEAF	
C[C@@H](OC(=O)[C@@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1C=C[C@H]2[C@@H]2C[C@H]12)C(=O)c1ccccc1	13153896	PJEWTIDBYNHYEL-WAHWFZKLSA-N	393.439	2.243	0	1	GEAF	
CC(=O)O[C@@H]1C=C[C@H](O)[C@@H]2[C@@H]1[C@H](O)C=CC21Oc2cccc3cccc(c23)O1	13433726	FRGSTJNRJXFGJS-ZDWMXJANSA-N	380.396	2.333	0	1	GEAF	biogenic
CC(C)=CCC[C@]1(C)Oc2ccc(C(=O)N[C@H](C(=O)O)[C@H](C)O)cc2C[C@@H]1O	13916039	JEQRSDJVWOFRBQ-DGJUNBOTSA-N	391.464	2.051	0	1	GEAF	biogenic
Cc1nc2cccnc2n1-c1ccc(CC(=O)NCCCN2CCOCC2)cc1	20559712	MCOOARSRJCGYGJ-UHFFFAOYSA-N	393.491	2.110	0	1	GEAF	
Cc1cc(C(C)(C)NCCNCc2ccc3c(c2)OCO3)nc(-n2ccnc2)n1	34613977	FVRRUKLVJPNYEK-UHFFFAOYSA-N	394.479	2.314	0	1	GEAF	
C/C=C/c1ccc([C@@H]2[C@@H](CO)N(C(C)=O)[C@H]2CNC(=O)c2ccncc2)cc1	95895136	WPDUKSWRCNVHDG-RYFNIYPHSA-N	379.460	2.220	0	1	GEAF	
O=C(COc1cc(=O)oc2ccccc12)N1CCN(c2ccccc2O)CC1	96271537	YTDZILXNTXIXBP-UHFFFAOYSA-N	380.400	2.226	0	1	GEAF	
Cc1noc(C)c1Cn1cc(N2C(=O)N(Cc3ccn(C)n3)C(C)(C)C2=O)cn1	116673907	IYWDDBRDGZKNEM-UHFFFAOYSA-N	397.439	2.017	0	1	GEAF	
CC(C)C[C@H](NC(=O)c1ccc(C2CC2)c(OC[C@H]2CCCO2)n1)C(N)=O	150110207	MAEFXTYFMVZJBB-PBHICJAKSA-N	375.469	2.147	0	1	GEAF	
COC(=O)[C@@H]1C[C@@]23C(=O)[C@@H]4C[C@H]5N(C[C@H]4C)C[C@@H](CCC4=C2[C@@H]1CC4)[C@]53CO	238762813	QAAMXNMTLIEKTC-WSIFCVRISA-N	385.504	2.184	0	1	GEAF	
CN(C)S(=O)(=O)c1ccc(OCc2nc3ccc([C@@H](N)N=O)cc3[nH]2)cc1	586931641	HNXICCABABPLDL-KRWDZBQOSA-N	389.437	2.116	0	1	GEAF	
COC(=O)c1ccnc2[nH]c([C@@H](C)NC(=O)c3cc4c(C)nn(C)c4s3)nc12	587039522	YHTYORSPZCHACX-SECBINFHSA-N	398.448	2.492	0	1	GEAF	
Oc1nc(O)c(I)c(-c2nc3cc(Cl)ncc3[nH]2)n1	587181926	IGMJVSJPPDHNHH-UHFFFAOYSA-N	389.540	2.084	0	1	GEAF	
Cn1cc(S(=O)(=O)N2C[C@@H](c3ccc(F)cc3)C(c3ccccc3)=N2)nn1	653837936	WKUUERZLEADBPL-INIZCTEOSA-N	385.424	2.147	0	1	GEAF	
CN1C(=O)[C@@H]2CN(S(=O)(=O)c3ccc4occc4c3)C[C@@H]2c2cnccc21	1772600201	QODWZTUPLVMSQR-HZPDHXFCSA-N	383.429	2.209	0	1	GEAF	
C[C@]1(CO)CN(Cc2ccccc2)C[C@H]2CN(C(=O)c3ccc(F)cc3)CCN21	2356303523	XLRQKNVCHODDSR-JTHBVZDNSA-N	397.494	2.219	0	1	GEAF	
Cc1oc(=O)c2c(c1C)O[C@@]1(C)[C@@H](C2)[C@@]2(C)CCC(=O)C(C)(C)[C@@]2(O)C[C@H]1O	2356327496	BYDBIWUWHHXUSH-APRYPCODSA-N	390.476	2.458	0	1	GEAF	
C[C@]12CC[C@@H](O)[C@](C)(CO)[C@@H]1CC[C@H](O)[C@H]2CC(=O)NCc1ccc(F)cc1	2356644815	USQJMVUJYMEINF-FWXAAJKCSA-N	393.499	2.379	0	1	GEAF	
CC(=O)N(CCN1CCOCC1)Cc1cc2cc3c(cc2nc1Cl)OCO3	26417220	IALXBJRZUVFOKD-UHFFFAOYSA-N	391.855	2.298	0	3	GEAF	
COc1ccc([C@@H]2C(C(=O)O)=C(CO)Oc3cc4c(cc32)OCO4)c(OC)c1	5809269	AOFQWXMNICNOLG-SFHVURJKSA-N	386.356	2.288	0	1	GEAF	
CCCCCCN1CCC[C@H]1CNC(=O)c1cc(S(N)(=O)=O)ccc1OC	13860950	ARSAADUCGPEJRE-HNNXBMFYSA-N	397.541	2.117	0	1	GEAF	
CCNCC1(C)CN(c2c(F)cc3c(=O)c(C(=O)O)cn4c3c2OC[C@@H]4C)C1	28225685	SINVDANLRLLINC-NSHDSACASA-N	389.427	2.228	0	1	GEAF	
CCN(CC)C(=O)C[C@@H]1c2nc(N)sc2C[C@H]2[C@]1(C)CC[C@@H](O)[C@@]2(C)CO	44681576	KKVNWAJFXNUXBP-RSWIEMLOSA-N	395.569	2.399	0	1	GEAF	biogenic
O=S(=O)(NC[C@@H]1[C@H](c2ccccc2)[C@H](CO)N1CC1CC1)c1ccccc1	95895682	DZQWNXDWAYARHT-HKBOAZHASA-N	386.517	2.204	0	1	GEAF	
O=C(NC[C@H]1[C@H](c2ccccc2)[C@H](CO)N1Cc1cccnc1)c1ccccn1	95895956	SYVBQOCIBBMOLP-FKBYEOEOSA-N	388.471	2.236	0	1	GEAF	
COc1ccc2c3c1O[C@@H]1[C@@H](O)C=C[C@H]4[C@H](C2)N([C@@H]2CCCC[C@@H]2O)CC[C@]314	100670085	ROOIUTBGPBWDFU-HLECFUCJSA-N	383.488	2.175	0	1	GEAF	
CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1[C@@H]2COC[C@@H]1C[C@@H](C(N)=O)C2	101095663	RHXKGFMFYVEJCA-WFGGJUAMSA-N	380.872	2.140	0	1	GEAF	
CS(=O)(=O)c1ccc2nc(NC(=O)[C@@H]3[C@@H]4C=C[C@H](C4)[C@@H]3C(=O)O)sc2c1	101999702	VCXQHHJYPXWYIK-NTKGCBCNSA-N	392.458	2.161	0	1	GEAF	
C[C@H](c1ncc(F)cn1)n1c(=O)[nH]c2cnc(-c3cnc4ccc(F)cn34)nc21	116869977	UYSIKZXARCXNKC-SECBINFHSA-N	394.345	2.112	0	1	GEAF	
N#Cc1ccccc1N1CC[C@](O)(C(=O)NCc2cc(F)cc(Cl)c2)C1=O	145613275	DUJJENQXRPYECK-IBGZPJMESA-N	387.798	2.135	0	1	GEAF	
O=S(=O)(NC[C@@H]1CCCO1)c1ccc(-c2nc3nc(Cl)c[nH]c-3n2)cc1	586945869	CIQPATVUKAZMGK-NSHDSACASA-N	393.856	2.082	0	1	GEAF	
O=C1C[C@@H](Cc2nc3c(O)ncnc3[nH]2)c2c(Br)cccc2O1	587003581	MPFSMJVIEWWVFS-SSDOTTSWSA-N	375.182	2.456	0	1	GEAF	
O=C(O)c1cccc2nc(CNS(=O)(=O)c3ccc(F)c(F)c3F)[nH]c12	587133829	BZASONGXQPJLSG-UHFFFAOYSA-N	385.323	2.157	0	1	GEAF	
O=C(c1cnn(-c2nc(=O)c3cccn3[nH]2)c1)N1CCC(CC(F)(F)F)CC1	1857597316	MXQPQYQILXYXKM-UHFFFAOYSA-N	394.357	2.013	0	1	GEAF	
COCCC(=O)N[C@@H]1CC[C@]2(C)CC[C@H]([C@H](C)C(=O)NC3CC3)[C@H](O)[C@H]2[C@H]1C	2356511642	LRHGNUOEJXAQAC-BPLWTJINSA-N	394.556	2.246	0	1	GEAF	
COc1cccc2c1CC[C@H]1CN(CCn3c(O)nc4[nH]ccc4c3=O)C[C@@H]21	13863022	GGFLSBNZVPANMF-SUMWQHHRSA-N	380.448	2.101	0	1	GEAF	
O=C(O)[C@H]1Cc2c([nH]c3ccccc23)[C@](O)(c2c[nH]c3ccccc23)C(=O)N1	14585626	GRSYCGMRONDEOH-DYESRHJHSA-N	375.384	2.011	0	1	GEAF	biogenic
COc1c(O)cc2oc(-c3ccc(OS(=O)(=O)O)cc3)cc(=O)c2c1O	14813920	YGPUEGZSDQVYKY-UHFFFAOYSA-N	380.330	2.061	0	1	GEAF	biogenic
c1ccc(CN[C@@H]2CO[C@@H]3[C@@H](Nc4nccc(-c5ccco5)n4)CO[C@@H]23)cc1	25432428	OQMFJLOMERMOED-LCLWPZTBSA-N	378.432	2.473	0	1	GEAF	biogenic
O=C(N[C@@H]1CO[C@@H]2[C@@H](Nc3nccc(-c4cccs4)n3)CO[C@H]12)c1ccco1	36368398	UQTQOARCPRMQGS-DLTLXFJOSA-N	398.444	2.175	0	1	GEAF	biogenic
COC(=O)CCN1CCN(Cc2cccc(Oc3ccccc3)c2)S1(=O)=O	72127854	ITVZKPPZVVCYNH-UHFFFAOYSA-N	390.461	2.404	0	1	GEAF	
COCCNC(=O)c1cnc(NCc2ccc3c(c2)OCO3)nc1-c1ccco1	82142971	KNPWZFIHIXZKJY-UHFFFAOYSA-N	396.403	2.454	0	1	GEAF	
C[C@H](c1nc2cccnc2c(=O)n1-c1ccccc1)n1cnc2c(N)ncnc21	95564446	VUQMYUUPDWGKJJ-GFCCVEGCSA-N	384.403	2.112	0	1	GEAF	
COCCN(C[C@@H]1N[C@@H](CO)[C@@H]1c1ccc(-c2cccc(F)c2)cc1)C(C)=O	95895144	CTAZZCWMPWUAQF-FDFHNCONSA-N	386.467	2.404	0	1	GEAF	
O=C(NCc1ccc(F)cc1)[C@H]1[C@@H]2C=C[C@]3(CN(Cc4ccccc4)C(=O)[C@@H]13)O2	102124647	JHYKCQQQKZVQMB-XFGYDDDFSA-N	392.430	2.424	0	1	GEAF	
C[C@@H](O)[C@@H](NC(=O)Nc1cc2[nH]nc(N3CCOCC3)c2cn1)c1ccccc1	210810089	OOBALUJUVPPBBS-FZKQIMNGSA-N	396.451	2.038	0	1	GEAF	
CCCCNS(=O)(=O)c1ccc2nc(-c3nc(Cl)cnc3N)[nH]c2c1	587088529	YYLAFHXCPUEZAN-UHFFFAOYSA-N	380.861	2.334	0	1	GEAF	
CCOC(=O)[C@@H]1CNCC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1	587594002	JUSAZOUPCCOXIF-XXHMAFKTSA-N	383.400	2.265	0	1	GEAF	
CC(C)(C)OC(=O)N1CC[C@H](C(=O)O)[C@]2(C1)NCCc1nc3ccccn3c12	962981911	HIGQMUWUVCGNJH-XCLFUZPHSA-N	386.452	2.017	0	1	GEAF	
CCN1C(=O)[C@@H]2CCCN2C(=O)c2sc(=NCc3ccc(OC)cc3)[nH]c21	1857611695	RCRFSVLNQMWNGG-AWEZNQCLSA-N	386.477	2.157	0	1	GEAF	
CC[C@H](C)C(=O)O[C@@H]1[C@@H](OC(C)=O)C=C(C(=O)OC)C[C@H]1OC(=O)[C@@H](C)CC	2356417802	MUTKUWKXVNNJTE-PASATYPHSA-N	398.452	2.337	0	1	GEAF	
CC=C[C@@H]1O[C@]2(O)C(=O)NC(=Cc3ccccc3)C(=O)N2[C@H]2[C@@H]1CCC[C@H]2C	2356700676	DQBLPIKDHLUJNM-UKWZQOBBSA-N	382.460	2.412	0	1	GEAF	
C[C@@H]1O[C@H](Oc2ccc3c(=O)c(-c4ccc(O)cc4)coc3c2)C[C@H](O)[C@H]1O	2356828622	IJFAWAIJDFHSKQ-ZQTJEYEUSA-N	384.384	2.401	0	1	GEAF	
CN(C)CCNC(=O)c1ccc2[nH]c3c4c(c5c(c3c2c1)CNC5=O)CCC4	28569700	MRUYFHXBACXFAI-UHFFFAOYSA-N	376.460	2.345	0	1	GEAF	
O[C@](CNCC1CCNCC1)(Cn1cncn1)c1ccc(Cl)cc1Cl	40866475	CNELGKFDEBVOER-QGZVFWFLSA-N	384.311	2.062	0	1	GEAF	
CCC(=O)N(C)C[C@@H]1[C@H](c2ccc(-c3cccnc3)cc2)[C@H](CO)N1C(C)=O	95895543	WSIAAOVRQHSRNB-URVUXULASA-N	381.476	2.292	0	1	GEAF	
O=S(=O)(c1ccc2nc(-c3cc(F)cc(F)c3O)[nH]c2c1)N1CCOCC1	587134035	IPQUYDDPQNJHRI-UHFFFAOYSA-N	395.387	2.235	0	1	GEAF	
COc1cc([C@@H]2N[C@H](C(=O)O)Cc3cc(OC(F)(F)F)ccc32)oc(=O)c1	962636372	NTOLBFKQMSWPLN-SWLSCSKDSA-N	385.294	2.235	0	1	GEAF	
COc1ccc(OC)c2c1C[C@@H](C)N[C@@H]2c1cccc(OCc2nnnn2C)c1	963607676	JXJUQHSMXLDHOG-LRTDBIEQSA-N	395.463	2.430	0	1	GEAF	
COc1cc2c(cc1O)CN(CCCCNC(=O)c1ccc(C(N)=O)cc1)CC2	1857649472	HFBUDRQPMNDKTM-UHFFFAOYSA-N	397.475	2.068	0	1	GEAF	
COCC(=O)N[C@@H]1CC[C@]2(C)CC[C@H]([C@H](C)C(=O)NC(C)C)[C@H](O)[C@@H]2[C@@H]1C	2356344005	XVXKERGFCTWKOE-UELTWFKFSA-N	382.545	2.102	0	1	GEAF	
CON(C)C(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)OC(C)(C)C	61948198	RUVVTHNKQXXQOM-CYBMUJFWSA-N	387.477	2.253	0	3	GEAF	
N=C(N)NCc1ccc([C@@H]2CC/C(=C/I)OC2=O)cc1	27427725	HNGQAWXKSWVXIP-RDQDRAATSA-N	385.205	2.367	0	1	GEAF	
COC(=O)CN1CCC(n2cc(-c3cccc(O)c3)c3c(N)ncnc32)CC1	49952401	HKBVCGJVIFGBEX-UHFFFAOYSA-N	381.436	2.196	0	1	GEAF	
CC(C)c1ccc([S@@]2=NS(=O)(=O)c3ccc(S(N)(=O)=O)cc32)cc1	73157961	LAFXMJXGLYOUHG-JOCHJYFZSA-N	384.504	2.380	0	1	GEAF	
COc1cc2nc(NCCCCO)nc(NC[C@@H]3CCCO3)c2cc1OC	82119776	QOJWVTUVAXYJHE-ZDUSSCGKSA-N	376.457	2.422	0	1	GEAF	
COCCn1c(=O)c(NCc2ccccc2F)c2n(c1=O)[C@@H]1CCCC[C@H]1N2	82205688	HQLSTPQCMWFUIP-HZPDHXFCSA-N	388.443	2.317	0	1	GEAF	
C[C@@H]1Cc2ccccc2N1C(=O)Cc1nc(N2CCOCC2)sc1C(=O)O	103240851	KRJAHQUEHOJBJP-GFCCVEGCSA-N	387.461	2.198	0	1	GEAF	
CC1(O)CCN(C(=O)c2ccc(N3CC(F)(F)C3)c(OCC3CC3)n2)CC1	146337678	BLNQXLMKIAHWID-UHFFFAOYSA-N	381.423	2.313	0	1	GEAF	
O=C(CN1CCOCC1)Nc1ccc(OC2CCN(C3CCC3)CC2)cc1F	149130702	DNWYPPOMPATZHV-UHFFFAOYSA-N	391.487	2.492	0	1	GEAF	
CCOc1cc(O)c2c(c1)C=CC[C@H](O)[C@H](O)C(=O)C=C[C@@H](C)[C@H](C)OC2=O	253777230	GUSDDBFXFCKGHW-MEGQDDJESA-N	390.432	2.236	0	1	GEAF	
N[C@@H]1NC=Nc2c(CN3C[C@@H](O)[C@H](CSc4cccc(Cl)c4)C3)c[nH]c21	261072686	AJIYTACJJDEROQ-WBHUJUFNSA-N	391.928	2.473	0	1	GEAF	
O=C(O)c1ccnc(-c2cn([C@@H]3CCN(C(=O)Cc4ccccc4)C3)nn2)c1	473136652	UDLIRBRLDRLGEC-MRXNPFEDSA-N	377.404	2.054	0	1	GEAF	
COc1ccc(S(=O)(=O)N[C@H](c2nc3cc(Cl)ncc3[nH]2)[C@H](C)O)cc1	586938328	QFKHEOKOLSACCI-VFZGTOFNSA-N	396.856	2.020	0	1	GEAF	
COC(=O)[C@@H]1C[C@@]2(CCN1C)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1	587582194	KQOJJRWCALYHET-AVBTWRTFSA-N	383.400	2.360	0	1	GEAF	
CC(C)c1nn(C)c2c1[C@@](C)(CN1CCN(C(=O)OC(C)(C)C)CC1)NCC2	962914355	SVLDTJLINNLQGM-OAQYLSRUSA-N	391.560	2.457	0	1	GEAF	
O=C(Nc1ccccc1)N1C[C@H](N2CCN(Cc3ccccc3)CC2)[C@H](O)C1	1857559713	ZSFWHFNKTZMAOR-LEWJYISDSA-N	380.492	2.081	0	1	GEAF	
COCCNC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1NC1CCCCC1	1857635683	NKYZAALBVOKIMZ-UHFFFAOYSA-N	389.905	2.108	0	1	GEAF	
COC(=O)c1ccc2nc(CO[C@H]3CN(C(=O)c4cccnc4)C[C@@H]3F)[nH]c2c1	2356360011	XCGZRYQRRSHFBI-YOEHRIQHSA-N	398.394	2.124	0	1	GEAF	
O=C(CO[C@H]1CN(Cc2ccc(C(=O)O)cc2)C[C@@H]1F)Nc1ccccc1O	2356656543	JYLKZHYSTQFGAL-YJBOKZPZSA-N	388.395	2.268	0	1	GEAF	
COC(=O)C1=C[C@H](O)C[C@@H]2[C@]1(C)C=C[C@]1(O)C(=O)O[C@H](c3ccoc3)C[C@]21C	2356868994	XGVUXZKWEOGMNA-JVANXDLHSA-N	388.416	2.061	0	1	GEAF	
CCOc1ccccc1C1=NO[C@@H](c2ccccc2OC)[C@@H]1C(=O)NCCO	4152614	RITMDUZHGVEGCL-QUCCMNQESA-N	384.432	2.294	0	1	GEAF	
COc1ccc(OC)c2c1CCN1C[C@H]3CCCN(S(C)(=O)=O)[C@H]3C[C@@H]21	13820241	HWHCZHASRXMSHK-KBMXLJTQSA-N	380.510	2.047	0	1	GEAF	
COC(=O)[C@]12C[C@H]3C[C@@H]4[C@H](C)OCN(CCc5c1n(c1ccccc51)[C@@H]3O)[C@@H]42	28380080	KPVGQFUAGCUQTN-OAXFJWHWSA-N	382.460	2.186	0	1	GEAF	
NS(=O)(=O)c1ccc(-c2nnc3n2N=C(c2ccc(F)cc2)CS3)cc1	103269628	HRZLDPJTPDBJEJ-UHFFFAOYSA-N	389.437	2.090	0	1	GEAF	
Cc1nc(C)n(-c2cc(N3CC(c4nc5ccccc5n4C)C3)nc(C#N)n2)n1	205333330	JHWJUQRHBKVMCQ-UHFFFAOYSA-N	385.435	2.036	0	1	GEAF	
COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2nc(Br)c[nH]c-2n1	587232284	VTYSTZFBGPONDA-VHSXEESVSA-N	382.262	2.103	0	1	GEAF	
C=CS(=O)(=O)N1[C@H]2CC[C@H]1CN(C(=O)c1cc(C3CCCCC3)no1)C2	618020277	WPYHSOBKAHTJSY-GJZGRUSLSA-N	379.482	2.484	0	1	GEAF	
NS(=O)(=O)c1cccc(NC(=O)c2cc(C(F)(F)F)cc3nc[nH]c23)c1	621477899	XMEOFQJFYWHGHP-UHFFFAOYSA-N	384.339	2.481	0	1	GEAF	
C[C@H]1CN(Cc2ccco2)C[C@H]1c1nc(=O)c2cnc(C3CCOCC3)n2[nH]1	1772623030	STGSJKIOOHTCDY-XJKSGUPXSA-N	383.452	2.140	0	1	GEAF	
C[C@@H]1O[C@H](OCCCCC(=O)O)[C@@H](O)C[C@H]1OC(=O)c1c[nH]c2ccccc12	2356450964	PTAMECMDMIIEJC-QIYNHLNTSA-N	391.420	2.461	0	1	GEAF	
CCC(C)=CC(=O)O[C@@H]1C=C(C(=O)OC)C[C@@H](OC(=O)C=C(C)CC)[C@H]1O	2356606125	DNOICGYKMBYMBW-MDZRGWNJSA-N	380.437	2.387	0	1	GEAF	
CN(C)[C@H]1CO[C@@H]2C3=C[C@H]4OC(=O)[C@@]5(C)[C@@H](O)CC[C@](C)([C@@H]3CC[C@@]21C)[C@@H]45	4097741	MRVMMDQTZLIFLF-BEUPEZIGSA-N	375.509	2.381	0	1	GEAF	in-vitro
Cc1cc(=O)n2nc(N[C@@H](C)C(=O)NCc3ccccc3Cl)sc2n1	6750762	AFBNRXSVWGMIRN-JTQLQIEISA-N	377.857	2.230	0	1	GEAF	
CCCCNC(=O)N1N[C@H](c2ccc(N)cc2)c2cc3c(cc2CC1=O)OCO3	13487442	XIWKOVWVLWMBFF-HXUWFJFHSA-N	396.447	2.486	0	1	GEAF	
Oc1cc2c(cc1F)[C@H](O)[C@H](N1CCC(O)(c3ccc(F)cc3)CC1)CO2	13779268	YSCGCOIEFKMGTK-APWZRJJASA-N	377.387	2.448	0	1	GEAF	
CCCCNC(=O)NS(=O)(=O)c1ccc(NC(=O)n2nc(C)cc2C)cc1	29402652	CLCCHEJXHDBBQA-UHFFFAOYSA-N	393.469	2.368	0	1	GEAF	
O=C(NN1C(=O)[C@H]2[C@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C1=O)c1ccccc1Br	35323122	OLFJAAPWKAVFKS-QAOKCCKXSA-N	387.233	2.147	0	1	GEAF	
CC(C)NC(=O)N(C)C[C@@H]1Oc2c(cccc2N(C)C)C(=O)N(C)C[C@@H]1C	95663838	DLRFYPBLXGENKV-YOEHRIQHSA-N	376.501	2.272	0	1	GEAF	
c1cc(-c2n[nH]c3ccnc(OC4CCOCC4)c23)nc(N2CCOCC2)c1	114771711	GWBMGDCMHZGDJG-UHFFFAOYSA-N	381.436	2.414	0	1	GEAF	
c1cc(-c2n[nH]c3ccnc(OC4CCOCC4)c23)cc(N2CCOCC2)n1	114773361	MQHXGJFBGIRZNL-UHFFFAOYSA-N	381.436	2.414	0	1	GEAF	
NC(=O)c1ccc(N2CC[C@H](NC(=O)c3ccc(F)c(F)c3)C2)c2cncnc12	147595972	DLUGKDOSIIJDOJ-LBPRGKRZSA-N	397.385	2.016	0	1	GEAF	
CS(=O)(=O)N(C[C@H](O)Cn1c2ccccc2c2ccccc21)C1(C#N)CC1	148570612	AZRCOEYFKJFJPY-OAHLLOKOSA-N	383.473	2.473	0	1	GEAF	
O=C(NCc1ccncc1)c1ncc2c(=O)n(Cc3ccccc3)ccc2c1O	169710919	WWWBQGLBDJNBCU-UHFFFAOYSA-N	386.411	2.475	0	1	GEAF	
COc1ccc([C@H]2C[C@@H]2COc2cc(NCc3nnc(C)s3)nc(N)n2)nc1	205837751	SFMQHDVIUMCXHD-YPMHNXCESA-N	399.480	2.417	0	1	GEAF	
CN(c1ncnc2[nH]ccc12)[C@H]1CC[C@H](CS(=O)(=O)N2CC[C@H](F)C2)CC1	261141642	NETGVMWNCJQIAR-KKUMJFAQSA-N	395.504	2.327	0	1	GEAF	
CO[C@@H]1C[C@@]2(OC)O[C@]1(C)C[C@@H](OC(=O)C(C)C)[C@H]1CC(=O)O[C@@H]1/C=C\2C	523041941	WDVVORIJANIPCL-OODFMTPKSA-N	382.453	2.373	0	1	GEAF	biogenic
CCOC(=O)[C@@H]1CNCC[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12	587789232	ANGXUXRDCCCBEB-SIMVJXQJSA-N	385.277	2.490	0	1	GEAF	
O=c1c2cccnc2ncn1Cc1nc(C[C@@H](O)c2ccc(Cl)cc2)no1	653745143	PIMAYQFCABRHBK-CQSZACIVSA-N	383.795	2.152	0	1	GEAF	
Nc1onc(-c2ccc(Cl)o2)c1C(=O)Nc1ccc(S(N)(=O)=O)cc1	1772653017	REYNYHOURROZAR-UHFFFAOYSA-N	382.785	2.070	0	1	GEAF	
CC1CCN(C(=O)c2nc[nH]c2C(=O)N[C@@H](C)C(=O)OCc2ccccc2)CC1	15952261	GBMGUJZWNINDCM-HNNXBMFYSA-N	398.463	2.144	0	3	GEAF	
CCOCCCNC(=O)CN1C(=O)CSc2c1c(C)nn2-c1ccccc1	6917375	XWGGLWXDUWUFDJ-UHFFFAOYSA-N	388.493	2.162	0	1	GEAF	
COc1ccccc1N1CCN(C[C@@H]2CN=C3Nc4ccccc4C(=O)N32)CC1	13780700	NTKYUOSZJNOSKS-INIZCTEOSA-N	391.475	2.123	0	1	GEAF	
Cc1nc[nH]c1CN1C[C@@H](C(=O)NCc2ccc(F)c(F)c2Cl)N(C)C1=O	95552376	LCSNABUAKBRVQK-ZDUSSCGKSA-N	397.813	2.202	0	1	GEAF	
CCS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)CC(F)(F)F)cc21	169350144	AOEFMQJXUXCRFL-UHFFFAOYSA-N	386.417	2.093	0	1	GEAF	
O=C(O)CNC(=O)C1=C(O)CCN(Cc2ccc(Oc3ccccc3)cc2)C1=O	208144123	OCOFQGLEWCHDSN-UHFFFAOYSA-N	396.399	2.224	0	1	GEAF	
COc1ccc2c3c1OC[C@@H](C)N3[C@@H]1C[C@@H]3OC(=O)C[C@@]34C=CCN3CC[C@@]21[C@H]34	238780492	KDPMKAIOXPUPQB-ZBRKLNHESA-N	394.471	2.252	0	1	GEAF	
CCCOC(=O)N[C@@H](CC(C)C)C(=O)N1C[C@H]2ON=C(Br)[C@H]2C1	473161130	ZYVXXCMWSKMEGK-SDDRHHMPSA-N	390.278	2.103	0	1	GEAF	
NC(=O)c1ccc2nc([C@@H](N)CCCNC(=O)OCc3ccccc3)[nH]c2c1	587258902	AFAOWZZKVFZGLV-HNNXBMFYSA-N	381.436	2.368	0	1	GEAF	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C[C@H]1CN[C@@H](C(=O)O)[C@@H]1C2	587597512	UXQLFSMHPQUKFF-BIIPGSRTSA-N	381.384	2.175	0	1	GEAF	
O=C(O)[C@@H]1NC[C@@H]2C[C@]3(C[C@@H]21)Oc1ccccc1C(=O)[C@@H]3C(=O)c1ccco1	587597543	UXQLFSMHPQUKFF-SZVOEXMDSA-N	381.384	2.175	0	1	GEAF	
COc1ccc([C@]2(C)NC(=O)N(C[C@@H](O)c3ccc(F)cc3F)C2=O)cc1	1857564990	VGDHCMGTODEDEX-APWZRJJASA-N	376.359	2.474	0	1	GEAF	
CC(C)Cc1ccc([C@@H](C)C(=O)OC[C@H](NC(=S)[C@H](C)N)C(=O)O)cc1	1857643848	URYWUKUEMKCBSQ-WWGRRREGSA-N	380.510	2.249	0	1	GEAF	
COCCN1C(=O)COc2ccccc2[C@H]1C(=O)Nc1ccc2c(c1)OCCO2	199206605	DCMPLZBLWUSKMC-FQEVSTJZSA-N	398.415	2.005	0	3	GEAF	
CCOC(=O)c1sc2nc(CC(=O)OC)nc(NC[C@@H]3CCCO3)c2c1C	2912239	SVBQRLNTUQANSB-NSHDSACASA-N	393.465	2.483	0	1	GEAF	
N[C@@]1(C(=O)O)[C@H](OCc2ccc(Cl)cc2Cl)C[C@@H]2[C@H]1[C@@]2(F)C(=O)O	13582201	QJWWGXLPGFOGNJ-YUVXLREMSA-N	378.183	2.103	0	1	GEAF	
CN(CCN1CCN(c2ncccn2)CC1)C(=O)C12CC3CC(CC(C3)C1)C2	13802814	UAEJICOLAFBSOQ-UHFFFAOYSA-N	383.540	2.273	0	1	GEAF	
CN1CC(=O)N2[C@H](C[C@H]3c4ccccc4N[C@H]3[C@H]2c2ccc3c(c2)OCO3)C1=O	22001367	ZUQFYMRCEZGBHF-BUBGVCCWSA-N	391.427	2.107	0	1	GEAF	
CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3cc4ncoc4cc3nc2-1	26248537	CNLKOVNJMAVUSC-NRFANRHFSA-N	389.367	2.221	0	1	GEAF	
CC(C)C(=O)O[C@H]1C=C2CCN(C)[C@H]2[C@@H]2c3cc4c(cc3C(=O)O[C@H]12)OCO4	96908972	IEKLOWXAASWFKX-INDMIFKZSA-N	385.416	2.250	0	1	GEAF	
COc1ccccc1-n1c(SCC(=O)N2CCCC2)nc2nncc-2c1O	103904223	ZXEVDOZNTPSTMV-UHFFFAOYSA-N	385.449	2.196	0	1	GEAF	
Cn1c(N2CCO[C@@H](c3cccc(N)c3)C2)nc(-c2ccncc2F)cc1=O	113089766	RCQYCEINEXFXFL-GOSISDBHSA-N	381.411	2.142	0	1	GEAF	
NC[C@@H](c1cccnc1)N1CCN(c2ncnc(N)c2-c2ccc(F)cc2)CC1	219313372	LZEIZJWSDOAMHN-SFHVURJKSA-N	393.470	2.082	0	1	GEAF	
COC(=O)c1cc2[nH]c(CNC(=O)[C@H](C)Oc3ccccc3)nc2cc1OC	587225694	RJEKHEVJNVFCHV-LBPRGKRZSA-N	383.404	2.442	0	1	GEAF	
CS(=O)(=O)N1CCC(C(=O)c2cncnc2Nc2ccc(F)cc2)CC1	1772597015	YKGKVGZCRHEOMU-UHFFFAOYSA-N	378.429	2.214	0	1	GEAF	
Cc1ccc(-c2c(-c3nn(C)c4ncnc(N5CC[C@H](N)C5)c34)cnn2C)cc1	1772613326	RXDAAEYRXNNICB-HNNXBMFYSA-N	388.479	2.277	0	1	GEAF	
CN1C=CC([C@@H]2OC(C(F)(F)F)=CN2c2ccc(S(N)(=O)=O)cc2)C=C1	1772658129	UVTRMYKFOQILHR-HNNXBMFYSA-N	387.383	2.489	0	1	GEAF	
NCc1cc(=O)n(C2CC2)c2c(OC(F)F)c(N3C[C@@H]4C[C@@]4(N)C3)c(F)cc12	1911584908	WBQPBOQTMQMNTC-APBUJDDRSA-N	394.397	2.073	0	1	GEAF	
CC(=O)OC[C@]1(O)CC[C@@]23C[C@H]1C=C2C=C[C@@H]1[C@](C)(CO)[C@@H](O)CC[C@]13C	2356695246	YSZOPKFZKQTCBL-NGEYSQDSSA-N	376.493	2.353	0	1	GEAF	
CCOc1cccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCO)c1	4041355	XSNYQQWLIVPHKM-PZJWPPBQSA-N	397.475	2.352	0	1	GEAF	
COc1cc(Cn2cnc3cnc(N)nc32)c(Br)c(OC)c1OC	14974576	QPMGMYKIUCHPAL-UHFFFAOYSA-N	394.229	2.245	0	1	GEAF	
O=c1[nH]c2cscc2c(=O)n1CCN1CCN(c2cccc(Cl)c2)CC1	29475985	HLDLWRPGEOGGRC-UHFFFAOYSA-N	390.896	2.227	0	1	GEAF	
COc1cc2nc(N3CCC(CCO)CC3)nc(NC[C@@H](C)O)c2cc1OC	82129812	KEBAMHXCTHEEAF-CYBMUJFWSA-N	390.484	2.039	0	1	GEAF	
O=C(COC(=O)[C@@H]1[C@H]2C[C@@H]3OC(=O)[C@@H]1[C@@H]3C2)Nc1ccc(Br)cc1	169303685	UJEBGXJCXKZLFL-JKRUQDRFSA-N	394.221	2.128	0	1	GEAF	
COc1cc([C@@H](OC)[C@@H](CO)Oc2ccc(CCCO)cc2OC)ccc1O	205667433	YTOZANXGUBLEJM-NHCUHLMSSA-N	392.448	2.462	0	1	GEAF	
O=C1C[C@@H](c2nc3c(O)nc(S)nc3[nH]2)CN1Cc1ccc(F)cc1F	587150210	QQYUMDQKIMBMKK-MRVPVSSYSA-N	377.376	2.142	0	1	GEAF	
CN(C)S(=O)(=O)n1nccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3	587534512	ZOJISSNMNLSORY-QGZVFWFLSA-N	375.450	2.123	0	1	GEAF	
O=C(NC[C@@H]1CCc2nc3nc(O)nc(O)c3cc2C1)OCc1ccccc1	587555250	PCJTZQKASSQJRH-CYBMUJFWSA-N	380.404	2.467	0	1	GEAF	
CCOC(=O)CCOCCCOCCc1nc2ccc([C@H](N)N=O)cc2[nH]1	587569987	TYSTUIFHHWCUQO-GOSISDBHSA-N	378.429	2.206	0	1	GEAF	
O=C(Nc1ncnc2[nH]cnc12)c1cccc(-c2ccccc2-c2nn[nH]n2)c1	1857606188	PCSWGOHVOPTMPO-UHFFFAOYSA-N	383.375	2.452	0	1	GEAF	
O[C@@H]1[C@H](NCc2cccs2)[C@H]2CO[C@@H](O2)[C@@H]1n1cc(-c2ccccc2)cn1	2356579763	IXUFTSMELUWOJN-WAPOTWQKSA-N	383.473	2.427	0	1	GEAF	
CC(C)NC(=O)N[C@H]1CCN2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@H]2C1	6563952	DIQZKRIYDHVMMM-IINYFYTJSA-N	382.823	2.486	0	1	GEAF	biogenic
Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NCCn1ccnn1	13493837	GBLFVKOVMVPIQF-GDNBJRDFSA-N	394.410	2.285	0	1	GEAF	
COC[C@H]1CCCN1C1=C(C(=O)OC)[C@]2(C(=O)OC)Sc3ccccc3[C@H]12	34819617	UNAMQNCWXYHUFL-ASNKJTAVSA-N	389.473	2.339	0	1	GEAF	
CN(Cc1ccccc1)C1(C(=O)N2CCC[C@H]2C(N)=O)Cc2ccccc2C1	39490237	LJHRXODMCKTHEU-FQEVSTJZSA-N	377.488	2.132	0	1	GEAF	
CC(C)(CC(=O)NC1CC1)CC(=O)NC1[C@H]2CC3C[C@@H]1CC(C(=O)O)(C3)C2	62178730	AOPXWZBVYOUGAH-ZLBVVEMGSA-N	376.497	2.467	0	1	GEAF	
COc1ccc(C=O)cc1OC[C@@](O)(Cn1cncn1)c1ccc(F)cc1F	72114872	WHUHGCWAWFPMGW-IBGZPJMESA-N	389.358	2.344	0	1	GEAF	
CCOC(=O)CN1CCN(c2ncc(C)c(NCc3ccc(C)cc3)n2)CC1	82203599	UABNRORHZHNROV-UHFFFAOYSA-N	383.496	2.391	0	1	GEAF	
O=C(CC1CC1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4cccnc4)cc3)[C@@H]2C1	95869563	DGHPVEHYJCHVCF-MIZPHKNDSA-N	391.471	2.046	0	1	GEAF	
CCN(C[C@@H]1[C@@H](c2ccc(-c3cccnc3)cc2)[C@H](CO)N1C(C)=O)C(C)=O	95895924	AHPRIPWQPCWYIR-BHIFYINESA-N	381.476	2.292	0	1	GEAF	
Cc1ccc(C(=O)N2[C@H]3CC[C@H]2[C@H](COc2ccccn2)C3)c(-n2ccnn2)n1	226051236	CJOIQEWZMFDNFP-BQFCYCMXSA-N	390.447	2.438	0	1	GEAF	
Cc1nc2nc(-c3ccc(CS(N)(=O)=O)cc3)[nH]c2cc1Br	586930881	JNJZNIQWHMUDGB-UHFFFAOYSA-N	381.255	2.484	0	1	GEAF	
O=C(NC1CCCC1)[C@@H]1CSCCS(=O)(=O)N1Cc1ccc(F)cc1	96020314	DQNIZLJAUMHLDU-INIZCTEOSA-N	386.514	2.132	0	3	GEAF	
CN(C)[C@H]1CO[C@@H]2C3=C[C@H]4OC(=O)[C@@]5(C)[C@@H](O)CC[C@](C)([C@@H]3CC[C@]21C)[C@@H]45	4097739	MRVMMDQTZLIFLF-NDMDGCSPSA-N	375.509	2.381	0	1	GEAF	in-vitro
CO[C@H]1[C@H](OC)[C@@H](CC(C)C)O[C@@H](OCC(=O)O)[C@@H]1OCc1ccccc1	27649866	FKKRIXVGUJIXBK-XIKSMUEASA-N	382.453	2.474	0	1	GEAF	
COc1cc2c(cc1OC)[C@]1(C(=O)c3ccc4c(c3[C@H]1O)OCO4)N(C)CC2	34250884	CSJAPFGQQAVKGU-NHCUHLMSSA-N	383.400	2.046	0	1	GEAF	biogenic
CC(C)[C@H]1Cn2c(c(NC(=O)CCc3cccnc3)c(=O)n(C(C)C)c2=O)N1	82206826	KDZJKGLGTKSOOT-OAHLLOKOSA-N	385.468	2.007	0	1	GEAF	
COC(=O)C[C@@H]1CC[C@@H](NC(=O)Nc2ccc(C(F)(F)F)cc2)[C@H](CO)O1	95675884	HFDKIVHAHGCNSH-MJBXVCDLSA-N	390.358	2.299	0	1	GEAF	
COC(=O)[C@@]12CC[C@]3(C=CCN4CC[C@@]5(c6cccc(OC)c6N[C@@]15O)[C@@H]43)C2	95912646	SKAAIQIJEHWIFO-AOIWZFSPSA-N	382.460	2.035	0	1	GEAF	biogenic,in-vitro
O=C(N[C@@H]1[C@H]2CC3C[C@@H]1C[C@@](O)(C3)C2)c1ccc(N2CCOCC2)nc1C1CC1	101549966	WYTGYKXJNWWDCV-GPUPCWAWSA-N	397.519	2.465	0	1	GEAF	
COCCCN1C(=O)C(=O)[C@H](C(=O)c2ccc(OC)cc2C)[C@H]1c1cccnc1	169687290	RMYVJGNGCVWDLO-RBUKOAKNSA-N	396.443	2.387	0	1	GEAF	
Clc1ncc(I)c2nc(C[C@H]3COCCO3)[nH]c12	586910596	RJFJQHBENAWCJW-LURJTMIESA-N	379.585	2.174	0	1	GEAF	
NC(=O)c1ccc2nc(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)[nH]c2c1	587112823	NWIZDXBDHRHPIC-UHFFFAOYSA-N	387.325	2.382	0	1	GEAF	
NS(=O)(=O)NCCC1CCN(c2cc(-c3ccc(Cl)cc3)ncn2)CC1	1772623095	YTJTYDBOBAPAPU-UHFFFAOYSA-N	395.916	2.197	0	1	GEAF	
N=C1C(c2nc3ccccc3[nH]2)=C(O)CN1NC(=O)COc1cccc(F)c1	1779849831	OBFUUSQRXLSMGH-UHFFFAOYSA-N	381.367	2.374	0	1	GEAF	
CCOC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NCc1ccccc1)C(C)C	198921575	GDMCBHDBNHTGKK-IRXDYDNUSA-N	375.469	2.065	0	3	GEAF	
Cc1cc(-n2ncc(=O)[nH]c2=O)cc(C)c1S(=O)(=O)c1ccc(Cl)cc1	3602540	AJCLTAZSYSCYTH-UHFFFAOYSA-N	391.836	2.024	0	1	GEAF	
COc1ccc(OC)c(NC(=O)[C@H]2Cc3ccccc3CN2S(C)(=O)=O)c1	4757818	VRBAQVZPNONIIK-QGZVFWFLSA-N	390.461	2.029	0	1	GEAF	
Cc1cc(COC(=O)NC(C)C)cc(C)c1OC(=O)CCOCCOCCO	27188484	ZXFVLJSCGQHVMK-UHFFFAOYSA-N	397.468	2.259	0	1	GEAF	
O=C(C(=O)N1CCN(C(=O)c2ccccc2)CC1)c1c[nH]c2cccc(O)c12	40956496	APABZECAPAJTQA-UHFFFAOYSA-N	377.400	2.041	0	1	GEAF	
CC(=O)Nc1c2n(c(=O)n(Cc3ccccc3)c1=O)[C@H](c1ccccc1)CN2	82209965	LWONWECOHVUXIO-KRWDZBQOSA-N	376.416	2.032	0	1	GEAF	
Cc1cnc(C)c(N2C[C@@H]3CCN(C(=O)c4ccccc4-n4nccn4)C[C@@H]32)n1	116824396	XFGQCWIAUYOLMZ-LPHOPBHVSA-N	389.463	2.025	0	1	GEAF	
COC1CCC2(CC1)Cc1ccc(C3=C[C@@H](O)CC3)cc1[C@@]21N=C(N)N(C)C1=O	140834810	RTVDLYZFLHMNIS-TYAKVHMRSA-N	395.503	2.338	0	1	GEAF	
O=C(NCCN1CCN(c2cc(F)cc(F)c2)CC1)c1cnc2ccccc2n1	169335000	ACOGYNPKOWYKEV-UHFFFAOYSA-N	397.429	2.460	0	1	GEAF	
CC(=O)N1c2ccc(-c3cnn(C4CNC4)c3)cc2N(C(=O)C2CC2)C[C@@H]1C	1857646900	CNZQNIGFBSQECU-ZDUSSCGKSA-N	379.464	2.192	0	1	GEAF	
C[C@]1(CO)CN(Cc2ccccc2)C[C@@H]2CN(C(=O)C3CCCCC3)CCN21	2356303605	ZOUROXXITOTHRM-FYYLOGMGSA-N	385.552	2.346	0	1	GEAF	
CC(=O)N1CCC(N2C[C@@H](F)[C@H](OCc3nc4ccc(F)cc4[nH]3)C2)CC1	2356658422	RPRBNJVBGISHED-CRAIPNDOSA-N	378.423	2.252	0	1	GEAF	
CCCC[C@@H]1CNC(=O)C(=O)N1CCCc1cc(OC)c(OC)c(OC)c1	13662275	XEMRMSNPXCMBBO-OAHLLOKOSA-N	378.469	2.162	0	3	GEAF	
COc1ccc(CN2C(=O)[C@@H](CC(=O)NC3CC3)CC(C(=O)N(C)C)=C2C)cc1	61921003	JBKSYGDTIYJTMB-MRXNPFEDSA-N	399.491	2.075	0	3	GEAF	
CCOc1cc(Nc2cccc(C)c2C)nc(SCC(=O)NCCO)n1	29397851	LUPRJRIFGHPHSR-UHFFFAOYSA-N	376.482	2.436	0	1	GEAF	
COCCNC(=O)[C@@H]1CCCN1C(=O)CC1(O)c2ccccc2-c2ccccc21	40423967	UJIAWQZSMKUMKD-FQEVSTJZSA-N	394.471	2.047	0	1	GEAF	
CN1C(=O)[C@](c2cccc(-c3cccnc3F)c2)(c2cnn(CCF)c2)N=C1N	72182226	WTRPZTMQYKOUOO-FQEVSTJZSA-N	396.401	2.084	0	1	GEAF	
N[C@@H](CCC(=O)n1c(-c2cc(F)cc(F)c2)nc2ccccc2c1=O)C(=O)O	103189262	NYPRZCWENGOARE-AWEZNQCLSA-N	387.342	2.174	0	1	GEAF	
COc1ccccc1S(=O)(=O)n1cc2c3c(cccc31)N1CCNC[C@H]1C2	118362561	NWDBPARGLORFCM-OAHLLOKOSA-N	383.473	2.221	0	1	GEAF	
COC(=O)[C@]12C[C@H]3C[C@H]([C@H](C)O)[C@@H]1N(CCc1c2[nH]c2ccc(OC)cc12)C3	238776303	OYMQKBZMKFJPMH-CHGZBSGISA-N	384.476	2.235	0	1	GEAF	
COc1ccc2c3c1O[C@@H]1[C@H](O)C=C[C@@H]4[C@@H](C2)N([C@H]2CCCC[C@@H]2O)CC[C@]314	253636532	ROOIUTBGPBWDFU-VAKROLQPSA-N	383.488	2.175	0	1	GEAF	
COc1ccc(S(=O)(=O)N[C@@H](c2nc3ccc(C)cc3[nH]2)[C@@H](C)O)cc1	586937257	SDFYNEHZDJRXMX-SJKOYZFVSA-N	375.450	2.280	0	1	GEAF	
Cc1cnc(Cl)c2[nH]c(CNS(=O)(=O)c3ccc4c(c3)OCCO4)nc12	586941858	OVRQSLLHUVNWQV-UHFFFAOYSA-N	394.840	2.169	0	1	GEAF	
Clc1nccnc1N1CCC(c2nc3ccc(-n4cnnn4)cc3[nH]2)CC1	587084791	ICXDYLPEGMGHQE-UHFFFAOYSA-N	381.831	2.366	0	1	GEAF	
O=C(N[C@@H](Cc1nc2cc3cn[nH]c3cc2[nH]1)C(=O)O)OCc1ccccc1	587208087	YTUJWKDPOSVKJP-INIZCTEOSA-N	379.376	2.361	0	1	GEAF	
COc1ccc(NS(=O)(=O)c2ccc3[nH]c(-c4ncc(N)cn4)nc3c2)cc1	587252649	HGGBBTAOGQGZNH-UHFFFAOYSA-N	396.432	2.412	0	1	GEAF	
CS(=O)(=O)c1cccc([C@@H]2N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)c1	963228110	NBJBAXHLWHOZJQ-MOPGFXCFSA-N	382.441	2.327	0	1	GEAF	
OC[C@@H]1[C@H](O)C[C@@H](NC2Cc3ccccc3C2)[C@@H]1Cc1ccnc(C2CC2)n1	2356289584	XRGDEMGWUVMJDZ-CIAFKFPVSA-N	379.504	2.011	0	1	GEAF	
CC=C1CN2[C@@H](OC)C[C@@]34C(=Nc5ccccc53)[C@H]2C[C@H]1[C@@]4(CO)C(=O)OC	2356638555	JILJLVZWABVUDR-HHBNWUIDSA-N	382.460	2.189	0	1	GEAF	
COc1cc2c(cc1OC)[C@]13CCN4C=C5CCO[C@@H]6CC(=O)N2[C@@H]1[C@@H]6[C@H]5C[C@H]43	104370124	BUQWXEFUPCTDBF-ZWKFKZKKSA-N	394.471	2.457	0	3	GEAF	
CCOc1cccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCO)c1	4041357	XSNYQQWLIVPHKM-FPOVZHCZSA-N	397.475	2.352	0	1	GEAF	
CS(=O)(=O)Nc1ccc(S(=O)(=O)NC23CC4CC(CC(C4)C2)C3)cc1	5557628	ANZHPAXUYXFMKZ-UHFFFAOYSA-N	384.523	2.305	0	1	GEAF	
C[C@@H]1CCCCN1CCCN1CC(=O)N(CCc2ccc(F)cc2)CC1=O	28471237	LEERABIXWHCMLC-QGZVFWFLSA-N	375.488	2.304	0	1	GEAF	
O=C1C[C@@H](c2nc(C(=O)NCc3ccc(F)cc3)c(O)c3ncccc23)CN1	40917226	RJRJCEILQXCOQW-GFCCVEGCSA-N	380.379	2.008	0	1	GEAF	
CC(=O)O[C@@H]1CC[C@H](C)O[C@]12OCc1c(cc(O)c(C)c1O)[C@H]2OC(C)=O	43509958	PLVLDRIHJAEAJS-GTXBANSHSA-N	380.393	2.368	0	1	GEAF	biogenic
COc1cc(-c2nc3c(NCC4CC4)ncnc3n2CCNC(C)=O)ccc1O	82179786	DNZSCKCUVUMYBS-UHFFFAOYSA-N	396.451	2.166	0	1	GEAF	
CCCn1c(=O)c(NCc2cccc(OC(F)(F)F)c2)c2n(c1=O)CCN2	82204628	AAAWIZMPPHNZFZ-UHFFFAOYSA-N	384.358	2.356	0	1	GEAF	
CNC(=O)C[C@H]1COc2cc(F)ccc2N1C(=O)c1ccc2c(c1)NC(=O)OC2	1857617034	MFJQMMMVDIDMNE-AWEZNQCLSA-N	399.378	2.432	0	1	GEAF	
COCC(=O)N[C@@H]1[C@@H](c2cccs2)N(Cc2nccs2)CC[C@]1(C)O	2356289323	TWDAWNZPDUYLIX-ZACQAIPSSA-N	381.523	2.034	0	1	GEAF	
C[C@@H]1[C@H]2C[C@@]3(CC(=O)O2)[C@H](C)C[C@H](O)[C@@]3(O)[C@@]1(C)COC(=O)c1ccccc1	2356651739	AGQLDIHTHSYJSO-BVQVWCKGSA-N	388.460	2.323	0	1	GEAF	
C[C@@H]1COC[C@@H](C)N1S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CCC1	201469323	CDGAYPGCWRMVFV-ZIAGYGMSSA-N	378.494	2.174	0	3	GEAF	
O=C(NCCOCCO)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccoc1	4055182	YAPVXSCWGNAJCZ-NVXWUHKLSA-N	378.812	2.150	0	1	GEAF	
CN1CCN(c2cc3c(=O)c(C(=O)O)cn4c3c(c2Cl)SCC4)CC1	27524884	WMKXGDYHOKNPHB-UHFFFAOYSA-N	379.869	2.211	0	1	GEAF	
COC1CN(c2cccc(-c3cc(NC(C)=O)nc(-n4nc(C)cc4C)n3)n2)C1	45496651	UHHRYINUVNKFTA-UHFFFAOYSA-N	393.451	2.135	0	1	GEAF	
CCC(=O)Nc1ccc2c(c1)OC[C@H](C)NC[C@H](C)[C@H](OC)CN(C)C2=O	95688589	ACBVZQMFXFPRGI-SUNYJGFJSA-N	377.485	2.129	0	1	GEAF	
O=C(Nc1ccc(F)cc1)N[C@@H]1C=C[C@H](CC(=O)N2CCCCC2)O[C@H]1CO	95906044	GRROAJFSYBFQKD-KURKYZTESA-N	391.443	2.034	0	1	GEAF	
CNC(=O)C1=C(C)NC(Nc2nc3ccccc3o2)=N[C@@H]1c1[nH]ncc1Cl	139370165	FHTPSZPTMOZKQQ-AWEZNQCLSA-N	385.815	2.337	0	1	GEAF	
CCOC(=O)[C@@H]1[C@H](c2ccccc2)C[C@H]2[C@H](NC(=O)c3ccccc3)C(=O)N21	299848687	OIQHMRNJBRQMSA-VJANTYMQSA-N	378.428	2.115	0	1	GEAF	
CC(C)(C)OC(=O)NC1(c2nc3c(O)nc(S)nc3[nH]2)CCC(=O)CC1	587234862	XVRDSAPRNUNKLY-UHFFFAOYSA-N	379.442	2.210	0	1	GEAF	
Cn1cc(C(=O)O)c(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)n1	587660266	DPMLHQONQBNYNM-UHFFFAOYSA-N	392.346	2.323	0	1	GEAF	
CC(=O)[C@H]1C(=O)N2CCCc3cccc(c32)[C@@]12c1ccsc1CCN2C(N)=O	962700491	JQKDQHJTVJPMJF-UWJYYQICSA-N	395.484	2.427	0	1	GEAF	
COc1ccc2nc(C(=O)N[C@@H](Cn3ccnc3)C(=O)OC(C)C)sc2c1	1772594415	ZYRBDVDEDGVBJF-AWEZNQCLSA-N	388.449	2.252	0	1	GEAF	
N=C(N)c1ccc([C@H]2Cc3ccc(F)cc3B(O)O2)cc1OCc1cccnc1	1857563549	QMBYBZFEWIPUTA-LJQANCHMSA-N	391.211	2.085	0	1	GEAF	
CC(=O)OC[C@]1(C)[C@H](O)C(=O)C[C@]2(C)[C@@H]3CCc4cocc4[C@@]3(CO)CC[C@@H]12	2356844625	NXHOYVCBNYYEDE-CIQOUTPZSA-N	390.476	2.392	0	1	GEAF	
N[C@@]1(C(=O)O)[C@@H](OCc2ccc(Cl)c(Cl)c2)C[C@@H]2[C@H]1[C@@]2(F)C(=O)O	13582257	LFAGGDAZZKUVKO-AEHLDWDTSA-N	378.183	2.103	0	1	GEAF	
O=C(COc1ccc(Cl)cc1)Oc1ccc(C[C@H]2NC(=S)NC2=O)cc1	103199378	UCKPJTNTMAEZJA-OAHLLOKOSA-N	390.848	2.240	0	1	GEAF	
Cn1cnc2cc(-c3ccc(S(C)(=O)=O)cc3)nc(NC3CCC3)c2c1=O	115623997	XHUSYOYCPDHIEB-UHFFFAOYSA-N	384.461	2.363	0	1	GEAF	
N[S@@](=O)c1ccc(-c2ccc3ncc(-c4ccc([S@@](N)=O)cc4)n3n2)cc1	169306693	GPSFPNVATVOSQW-SVBPBHIXSA-N	397.485	2.026	0	1	GEAF	
CN(Cc1nc2cc(F)cc(C(=O)O)c2[nH]1)S(=O)(=O)c1ccc(F)cc1	587169943	LPJHKDPBXGQOKJ-UHFFFAOYSA-N	381.360	2.360	0	1	GEAF	
CCOC(=O)CC[C@@]1(CC(=O)OCC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	587441513	KXIHKFLKYXYJSH-VLIAUNLRSA-N	376.405	2.478	0	1	GEAF	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](CCCNS(C)(=O)=O)N1	587841126	PTQJWLRSKPIDIO-JOYOIKCWSA-N	379.295	2.493	0	1	GEAF	
CN1C(=O)[C@@H](NC(=O)c2cc(Cc3ccccc3)on2)CNc2ccccc21	653721459	FILOHPAPJRJFDF-SFHVURJKSA-N	376.416	2.452	0	1	GEAF	
CC(C)Cn1nc(C(=O)N[C@@H]2CCN(C#N)C2)c2ccc(-c3cnn(C)c3)cc21	1857602475	SUTKNBNAMZDBAG-QGZVFWFLSA-N	391.479	2.378	0	1	GEAF	
C[C@]1(O)CCN(C(=O)C2CCOCC2)[C@@H](c2ccccc2)[C@H]1NC(=O)C1CC1	2356700472	NVTXKURUROWRAR-JQVVWYNYSA-N	386.492	2.032	0	1	GEAF	
Cc1ccc(NC(=O)CCc2nnc3ccc(N4CCOCC4)nn23)cc1C	6805587	YFZQYILWWVPOBK-UHFFFAOYSA-N	380.452	2.149	0	3	GEAF	
O=C(NCc1ccccn1)C1=CC2=N[C@H](c3ccco3)C[C@@H](C(F)(F)F)N2N1	104014413	NLIWRAUVVMJLDF-WFASDCNBSA-N	391.353	2.469	0	3	GEAF	
COC1=C[C@@]23CCN(C)[C@@H](CCc4cc(OC)c(OC)c(OC)c42)C3=C[C@H]1O	13359568	OGIGDLIVQWNQJG-WJONJSRFSA-N	387.476	2.432	0	1	GEAF	biogenic
COc1cc(=O)n(C)cc1-c1ccc([C@H](C)[C@H](N)C(=O)N2CC[C@H](F)C2)cc1	14947719	VKLBIQJAAXASMH-RISOHXOYSA-N	387.455	2.062	0	1	GEAF	
COc1cc2c(cc1OCCCN1CCN(C)CC1)N=C[C@@H]1CCCN1C2=O	22043351	DAAQBVONDJCFEB-INIZCTEOSA-N	386.496	2.032	0	1	GEAF	
COc1cccc([C@@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(C)CC(=O)N32)c1	26771879	WYWKIYRMFFRQSA-WIYYLYMNSA-N	375.428	2.491	0	1	GEAF	biogenic
NS(=O)(=O)c1ccc(CCNCc2cc(=O)oc3cc(Cl)ccc23)cc1	27739731	SGZAPZZACULLGE-UHFFFAOYSA-N	392.864	2.426	0	1	GEAF	
CC(C)NC(=O)Nc1ccc2c(c1)CC(=O)N(C)C[C@H](C)[C@H](CN(C)C)O2	95663213	WMMFWTNLFGFEGR-KSSFIOAISA-N	376.501	2.176	0	1	GEAF	
O=C(NCC[C@H]1CC[C@@H](NC(=O)C2CCCC2)[C@@H](CO)O1)c1ccc(F)cc1	95903427	PCXDMLTYWGHPKQ-GUDVDZBRSA-N	392.471	2.161	0	1	GEAF	
NC1=N[C@]2(CO1)c1cc(-c3cncnc3)ccc1O[C@H](CC1CC1)C21COC1	220721402	MSVXPEWIJQOLDG-WIYYLYMNSA-N	378.432	2.262	0	1	GEAF	
O=c1cc(OC[C@H](O)CN2CCN(c3ccccc3)CC2)c2ccccc2o1	299834499	JLPCXBVDHBKHIR-GOSISDBHSA-N	380.444	2.355	0	1	GEAF	
CN(Cc1ccccc1F)C(=O)n1cnc(S(=O)(=O)[C@@H]2C[C@H]3CC[C@@H]2C3)n1	473096795	ZWMLECGZJCIGML-WOSRLPQWSA-N	392.456	2.480	0	1	GEAF	
COc1cc(Br)c([C@H](N)c2nc3c(N)ccnc3[nH]2)cc1OC	586975058	JPACUCNLFNTJML-LBPRGKRZSA-N	378.230	2.368	0	1	GEAF	
Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2cnc(Cl)[nH]c-2n1	587120965	LJEYPVQGXDXNMD-UHFFFAOYSA-N	397.748	2.382	0	1	GEAF	
Nc1ccc(/C=C/c2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)cc1	587251471	FLYXVFQGHYLHPW-FPYGCLRLSA-N	384.461	2.336	0	1	GEAF	
COC(=O)[C@@H]1C[C@@]23C(=O)[C@H]4C[C@H]5N(C[C@H]4C)C[C@@H](C[C@@H](O)C4=C2[C@@H]1CC4)[C@]53C	653795335	GCEFRAYTSJZBOM-PLIJGZHXSA-N	385.504	2.182	0	1	GEAF	
C[C@H]1C(=O)N(C)c2ccc(C(=O)NS(=O)(=O)c3ccccc3)cc2N1C1CC1	1857647766	ZWKLQCZWWAEJJO-ZDUSSCGKSA-N	399.472	2.139	0	1	GEAF	
C[C@]12CC[C@@H](O)[C@](C)(CO)[C@@H]1CC[C@H](O)[C@H]2CC(=O)NCc1ccccc1	2356321560	BBWGJBKNBIHRGJ-FWXAAJKCSA-N	375.509	2.240	0	1	GEAF	
COc1cc2c(c(OC)c1OC)-c1ccc(CO)c(=O)cc1[C@H](NC(C)=O)CC2	2356521650	HCIYPJVVONCQSC-QGZVFWFLSA-N	399.443	2.355	0	1	GEAF	
CCCCC[C@H](O)C=C[C@@H]1C(=O)C[C@H](O)[C@@H]1CC=CCCCC(=O)NCCO	2356647979	KEYDJKSQFDUAGF-YRPNKDGESA-N	395.540	2.275	0	1	GEAF	
O=C(Nc1ccccc1)[C@H]1CN2CC[C@H]1C[C@H]2Cn1cc(C2(O)CCCC2)nn1	2356821430	GANPCIMBUIBMPK-WDSOQIARSA-N	395.507	2.389	0	1	GEAF	
O=C(Cn1ncc2c(=O)oc3ccccc3c21)NC[C@@H]1COc2ccccc2O1	5004065	XTGMQXNJOKCQEV-CYBMUJFWSA-N	391.383	2.099	0	3	GEAF	aggregator
COc1c(C(=O)O)cc(CCn2cnc3c2NC=NC[C@H]3O)c2c1CCCC2	13861935	IMHIJBVQLDLZAX-MRXNPFEDSA-N	384.436	2.199	0	1	GEAF	
C[C@@H]1C(=O)N(c2cccc(Cl)c2)CCN1CCCn1nc2ccccn2c1=O	27091089	UBRZXJVSJKXZNI-OAHLLOKOSA-N	399.882	2.277	0	1	GEAF	
CC(=O)N1C[C@@H](Oc2ccsc2)C[C@@H]1C(=O)N1CCCN(C2CCC2)CC1	49112780	MKLZYGYFUFWHJE-RBUKOAKNSA-N	391.537	2.203	0	1	GEAF	
Cn1cc(-c2cnn3c(Nc4nncs4)cc([C@@H]4CCCNC4)nc23)cn1	66101693	UZQLUCAWINOHJN-LLVKDONJSA-N	381.469	2.192	0	1	GEAF	
COCCn1nc(C)c(C(=O)N[C@@H]2COc3cccc(-c4cccnc4)c3C2)n1	84904601	OWCJHLUHPFYWOT-INIZCTEOSA-N	393.447	2.028	0	1	GEAF	
OC1CN(c2nccnc2OC2CCN(c3ccc4ccccc4n3)CC2)C1	96168697	OFFJIWISDZLDKS-UHFFFAOYSA-N	377.448	2.254	0	1	GEAF	
CC(=O)N1[C@@H]2CN(S(C)(=O)=O)C[C@H]1[C@H]2c1ccc(-c2ccc(F)cc2)cc1	100083764	LLQJRLQJVUHLMN-PMOLBWCYSA-N	388.464	2.451	0	1	GEAF	
CN1CCN(CCCNC(=O)[C@H]2C(c3ccccc3)=NO[C@@H]2c2ccoc2)CC1	104187681	GDCOFKMRUHCEHA-PZJWPPBQSA-N	396.491	2.125	0	1	GEAF	
O=C(NC[C@H]1CCCCN1)c1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1	167434321	JUSARCZLQRAOLR-QGZVFWFLSA-N	380.492	2.111	0	1	GEAF	
CC(=O)c1ccc(Nc2cccc3c2C(=O)N([C@@H]2CCC(=O)NC2=O)C3=O)cc1	169322239	YSPZBSWXTQDLJG-MRXNPFEDSA-N	391.383	2.034	0	1	GEAF	
CCOC(=O)N1C[C@@H]2OC(=O)c3cc4c(cc3[C@]23C=C[C@H](OC)C[C@H]13)OCO4	238759119	PPOFSTUJVPTKMR-IREPMIDKSA-N	387.388	2.008	0	1	GEAF	
C[C@]12CC[C@@H]3[C@@H]([C@H](O)C=C4C[C@H](OS(N)(=O)=O)CC[C@@]43C)[C@H]1CCC2=O	253685794	MNBRJVRSKWOGDJ-QIGARABOSA-N	383.510	2.078	0	1	GEAF	
CCc1ccc2c(c1)[C@@]1(CC(=O)c3cc(C)cc(N)c3O1)C(=O)N2CC(=O)O	587400056	OLCCDJRYBVFZOO-NRFANRHFSA-N	380.400	2.432	0	1	GEAF	
COC(=O)C(=O)C[C@@]1(c2cnn(C)c2)CC(=O)c2ccc3c(c2O1)CCCC3	587517637	RNAHOPUGWFHBCT-OAQYLSRUSA-N	382.416	2.292	0	1	GEAF	
C[C@]1(COc2ccc(OC(F)(F)F)cc2)Cn2cc(S(C)(=O)=O)nc2O1	653725576	OFLCDBBPNUHRQC-CQSZACIVSA-N	392.355	2.415	0	1	GEAF	
COc1cccc(Cn2cc([C@H](O)c3ccc(OC)c(OC)c3OC)nn2)c1	1772570244	HPYKLSVEXLORLV-GOSISDBHSA-N	385.420	2.443	0	1	GEAF	
COC(=O)c1cnc(Nc2cccc(C(F)(F)F)c2)c(S(N)(=O)=O)c1	1772593794	GVGUOCCJQFBQJX-UHFFFAOYSA-N	375.328	2.278	0	1	GEAF	
CN1CCN(C(=O)[C@@H]2CCN(c3ccc(Cl)c(C(F)(F)F)c3)C2)CC1=O	1911576730	GSWKVEFNZIDKIB-LLVKDONJSA-N	389.805	2.486	0	1	GEAF	
CC=C1CN2[C@H]3C[C@]45c6cc(OC)cc(OC)c6N[C@@]4(O3)[C@H]2C[C@H]1[C@H]5C(=O)O	2356637769	DQVHXLYSIWOSII-JLIYNDBLSA-N	384.432	2.175	0	1	GEAF	
COc1ccc2c(c1)[C@@]13C[C@H]4[C@H]([C@H]5C[C@@H](C1=N2)N4[C@H](C)[C@@H]5CO)[C@H]3OC(C)=O	2356852646	QRTSGQHCBPBPBT-NKNRXPOBSA-N	382.460	2.054	0	1	GEAF	
CCOc1nc(NCCc2ccc(OC)c(OC)c2)nc(NC(C)(C)CO)n1	4101339	WBVOLKCAUFJUCZ-UHFFFAOYSA-N	391.472	2.125	0	3	GEAF	
O=C(C1CCN(C2CCN(Cc3ccsc3)CC2)CC1)N1CCOCC1	19229364	ZAYJHUMRJCJCAR-UHFFFAOYSA-N	377.554	2.283	0	3	GEAF	
CC(=O)Nc1ccc(-c2ccnc3c2C[C@@](C)(C(=O)NCCN(C)C)O3)cc1	61903236	OSASEEDQVVWIHL-NRFANRHFSA-N	382.464	2.078	0	3	GEAF	
Cc1cc(Nc2ccc3c(n2)C(=O)N(CC(=O)NCc2ccccc2)C3)n(C)n1	206020027	WBQYUAWJCKQIEZ-UHFFFAOYSA-N	390.447	2.139	0	3	GEAF	
CCCCO[C@H]1C[C@H](C(=O)N[C@@H]2CCCC[C@@H]2O)N(C(=O)c2ccco2)C1	4547582	QPCJRTYAFRCPPY-HZMVEIRTSA-N	378.469	2.099	0	1	GEAF	
Cc1ccccc1[C@@H]1C[C@H](O)[C@@H](O)[C@H]1NS(=O)(=O)c1ccc(Cl)cc1	2356549319	YQIXETPBAZTAGL-XLAORIBOSA-N	381.881	2.205	0	1	GEAF	
CC(=O)O[C@@H]1[C@H](O)[C@](C)(O)[C@](C)(C=CC2=CC(=O)OC2)[C@@H]2CCC=C(C)[C@]12C	2356620216	KEQCMXAVBMZXAI-NKLIMPNMSA-N	390.476	2.452	0	1	GEAF	
CC(=O)NCCCCNC(=O)c1[nH]cc(C(=O)O[C@@H]2C[C@H]3CC[C@@H]2C3)c1C	28817256	GKVZLYPVWDZDLN-ZMSDIMECSA-N	375.469	2.315	0	1	GEAF	
COc1cc([C@H]2C3=C(CNC3=O)Nc3cc4c(cc32)OCO4)cc(OC)c1OC	34293741	GETMSPZIIJLCJJ-GOSISDBHSA-N	396.399	2.382	0	1	GEAF	
Cn1cc(Cc2ccc(F)cc2)nc1-c1nc2n(c(=O)c1O)CCOC2(C)C	1911579568	PGVHQZJWJLSWBX-UHFFFAOYSA-N	384.411	2.345	0	1	GEAF	
COc1cc2c(cc1OC)[C@]13CCN4C=C5CCO[C@@H]6CC(=O)N2[C@H]1[C@H]6[C@@H]5C[C@H]43	195409931	BUQWXEFUPCTDBF-PZBQXHBBSA-N	394.471	2.457	0	1	GEAF	
C[C@H](Cc1nsc(N2CCN(C)CC2)n1)NC1CC(C)(C)NC(C)(C)C1	82052255	FMCVFSJEYGGXIV-CQSZACIVSA-N	380.606	2.120	0	1	GEAF	
NC[C@H]1CCCN(c2c(F)c(N)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C1	40467023	GZBLJWROJIKOSA-SECBINFHSA-N	392.406	2.070	0	1	GEAF	
NCCCC(=O)N[C@@H]1Cc2ccccc2[C@@H]1Cc1ccc2c(c1C(=O)O)OCO2	95920906	JAXONHRCCIOGKL-DLBZAZTESA-N	396.443	2.220	0	1	GEAF	in-vitro
CCOC(=O)C[C@@H]1C(C(=O)OCC)=C(N)Oc2ccc(-c3cncnc3)cc21	95560064	AMIOTFZITPNRFY-HNNXBMFYSA-N	383.404	2.306	0	1	GEAF	
C[C@@H](NC(=O)Nc1cc2[nH]nc(-c3cc(CO)on3)c2cn1)c1ccccn1	261188887	YJHFMUCGPGKJSZ-SNVBAGLBSA-N	379.380	2.383	0	1	GEAF	
Cn1cc2c(nc(NC(=O)Nc3ccncc3)n3nc(-c4ccco4)nc23)n1	13475415	KHRCLUNNZRRZTF-UHFFFAOYSA-N	375.352	2.310	0	1	GEAF	
NC(=O)c1ccc2c(c1)C[C@@](NC(=O)c1cccc3c1CCCC3)(C(=O)O)C2	168224602	QVQHKJQFIIQHDQ-JOCHJYFZSA-N	378.428	2.016	0	1	GEAF	
CCOC(=O)[C@@]12CCC3=C1N(CCC3)C(=O)[C@H](CC(=O)N1CCSCC1)C2	203472378	XTCJQTNWTDSLAS-FOIQADDNSA-N	392.521	2.192	0	3	GEAF	
O=C(NCCc1ccccc1)[C@@H]1[C@H]2C=C[C@]3(CN(Cc4cccs4)C(=O)[C@H]13)O2	4576172	XMSJWPKHWOLGJU-NXWNEQKCSA-N	394.496	2.389	0	1	GEAF	
C[C@@H]1CN(c2cccc3ccccc23)CCN1CN1CC(=O)N2CCC[C@@H]2C1=O	13642279	RHPMSRVAUFLOEW-DYESRHJHSA-N	392.503	2.141	0	1	GEAF	
COC(=O)C1=C(C(=O)OC)[C@@H]2O[C@H]1C(c1ccc(O)cc1)=C2c1ccc(O)cc1	16052474	CRLQCBACIMUGDZ-BGYRXZFFSA-N	394.379	2.432	0	1	GEAF	in-vivo
CC(=O)NC[C@H]1CN(c2ccc(-n3ccc(C(F)(F)F)n3)c(F)c2)C(=O)O1	28022806	HDDDPJMDHFHHLG-NSHDSACASA-N	386.305	2.492	0	1	GEAF	
COC(=O)N1c2c(ccc3c2OCO3)[C@]23[C@H]4N5CCC[C@@]4(CC[C@@H]12)CC(=O)[C@H]3C5	40461327	UZPRUUKCBFHMHH-VUEPOBENSA-N	396.443	2.455	0	1	GEAF	
CCCn1c(=O)c(NCc2ccc(C(=O)OC)cc2)c2n(c1=O)C[C@@H](CC)N2	82207792	IXXQEECRMMTMHZ-OAHLLOKOSA-N	386.452	2.023	0	1	GEAF	
O=C1N=C2[C@@H](C(=O)N=C3SC([N+](=O)[O-])=CN32)[C@H](c2ccc(Cl)cc2)N1	95582440	BNTBDZIIXWTKBX-UWVGGRQHSA-N	377.769	2.140	0	1	GEAF	
CC(C)c1cn(CC[C@H]2CC[C@@H](NC(=O)c3cccc(F)c3)[C@H](CO)O2)nn1	95675295	QKYXERGZTDIPLJ-LMMKCTJWSA-N	390.459	2.269	0	1	GEAF	
O=C1NC(=O)/C(=C/c2cnn3c(NC4CC4)cc(Nc4ccccc4F)nc23)N1	145917344	MTFZZRPPRZFRLO-AUWJEWJLSA-N	393.382	2.367	0	1	GEAF	
C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2ccnc(Br)c2[nH]1	586959676	STKRADKRTVRKAB-CQSZACIVSA-N	397.254	2.189	0	1	GEAF	
COc1cc2c3c(c1)O[C@](CNC(=O)CCC(=O)O)(c1ccccc1)[C@@H](C2)C3=O	587430090	RBMNPKZVRHSONP-KSFYIVLOSA-N	395.411	2.319	0	1	GEAF	
C=CC(=O)Nc1ccc(CNc2cc(Nc3cnn(CCO)c3)ncn2)cc1	1857593846	AQIJEZOKLLGFTD-UHFFFAOYSA-N	379.424	2.146	0	1	GEAF	
C[C@@H](OC(=O)c1ccc(O)cc1)[C@H]1C(=O)N/C1=C\C(=O)OCc1ccccc1	1857750240	XWFGZZNPZFCLBN-MJUCBELMSA-N	381.384	2.311	0	1	GEAF	
CCOc1ccc2nc(NC(=O)CN3C(=O)[C@H]4[C@H]5C=C[C@H](C5)[C@H]4C3=O)sc2c1	4564530	MRTXFVBXBICCEX-QFBVAWSSSA-N	397.456	2.441	0	1	GEAF	
COc1nc(N2CCN(CCC[C@@H](O)c3ccc(F)cc3)CC2)ncc1F	13730888	LTCULVKPMWAHBA-QGZVFWFLSA-N	378.423	2.399	0	1	GEAF	
Cc1cc(COc2ccc(C(=O)NCc3n[nH]c(=O)[nH]3)cc2)c2ccccc2n1	28708249	HGNMRIKSORWTLJ-UHFFFAOYSA-N	389.415	2.464	0	1	GEAF	
CCS(=O)(=O)N1CCC(N[C@H](c2cnccn2)c2ccc(F)cc2F)CC1	72101978	XBAYFWWNPZQFTL-SFHVURJKSA-N	396.463	2.248	0	1	GEAF	
O=C(Cc1ccccc1)O[C@@H]1CCCC[C@@H]1n1cc(CN2CCOCC2)nn1	82152637	WEIHQDAGPYFALW-VQTJNVASSA-N	384.480	2.380	0	1	GEAF	
C/C=C/c1ccc([C@H]2[C@H](CO)N(C(C)=O)C23CN(C(=O)c2ccncc2)C3)cc1	95794655	NCFKBXJLNZSNQV-OFOPBTFPSA-N	391.471	2.316	0	1	GEAF	
COC(=O)c1cc2[nH]c(-c3sc(NS(C)(=O)=O)nc3C)nc2cc1OC	586951797	ZZKOUJQQVBXVNI-UHFFFAOYSA-N	396.450	2.162	0	1	GEAF	
CC(C)[C@H](C)n1cc(-c2ccc(N3CCOCC3)cn2)c2[nH]nc(N)c2c1=O	653806067	NAGJVNORNVHZDU-ZDUSSCGKSA-N	382.468	2.422	0	1	GEAF	
O=C(NCc1ncccc1F)c1coc(CNCCc2nc3ccccc3[nH]2)n1	1857558304	SKJBIUVQSDEXSB-UHFFFAOYSA-N	394.410	2.347	0	1	GEAF	
O=C(NCc1ncccn1)c1csc(CCNCc2nc3ccccc3[nH]2)n1	1857617150	KHFWFPNHQURMTB-UHFFFAOYSA-N	393.476	2.072	0	1	GEAF	
CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(ccc4oncc43)nc2-1	1857644665	ZUFCQQJUMSANNT-NRFANRHFSA-N	389.367	2.221	0	1	GEAF	
O=C(NCc1ccc(CNS(=O)(=O)c2ccccc2)cc1)c1ccncc1	1857744317	DRZUSJGUDTXHHR-UHFFFAOYSA-N	381.457	2.490	0	1	GEAF	
CC[C@@H]1C2=C3[C@@H]4[C@H](OC(=O)[C@H](C)[C@@H]4[C@@H]1O)[C@H]([C@@H]1C[C@@H](C)C(=O)O1)N3CCCC2	2356362914	IMBLSLXWSTZJFX-MINILPCZSA-N	389.492	2.255	0	1	GEAF	
CC(=O)O[C@H]1[C@@H](C(C)C)[C@@]2(C)CC[C@@]3(C)CC[C@H](O)C4=C3[C@@H](OC4=O)[C@H]2[C@H]1O	2356722120	YMAVCQMSHJECFY-ANXIAVMPSA-N	392.492	2.364	0	1	GEAF	
O=c1c(CCc2ccccc2)nc2cnc(N3CCOCC3)nc2n1C1CC1	4239073	XEMAOPQULCODAI-UHFFFAOYSA-N	377.448	2.143	0	1	GEAF	
COc1ccc([C@@H]2[C@H](OC)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1N	26170038	KCXJMMJALCDAAV-MJGOQNOKSA-N	388.420	2.406	0	1	GEAF	
CCCc1c(O)c2[nH]c(CN3N=C(c4ccccc4)CCC3=O)nc2n(C)c1=O	26673461	XDNTUDZGVBUSKA-UHFFFAOYSA-N	393.447	2.446	0	1	GEAF	
COc1c(-c2cc3n(c2)CCNC3)c(F)cc2c1N(C1CC1)C[C@H](C(=O)O)C2=O	45290119	WUYKPJOSVPYZIC-HNNXBMFYSA-N	399.422	2.272	0	1	GEAF	
COc1ccc(CC(=O)/N=c2\nc(SC)nc3[nH]c(-c4ccco4)nn23)cc1	49070762	HAHUTUCPPSBANJ-UHFFFAOYSA-N	396.432	2.113	0	1	GEAF	
O=C1NCc2ccc(OCCCN3CCN(c4cccc5c4CCO5)CC3)cc21	64540111	LQUKOEAHGRXJMZ-UHFFFAOYSA-N	393.487	2.456	0	1	GEAF	
COCCn1c(=O)c(NCc2ccsc2)c2n(c1=O)[C@@H](c1ccccc1)CN2	82208916	GEMHCIOXGGBDPY-MRXNPFEDSA-N	398.488	2.345	0	1	GEAF	
CC(=O)Nc1cccc2c1O[C@@H](CN(C)C(=O)NC(C)C)[C@H](C)CN(C)C2=O	95661985	ZBHAVGXLHJUKDQ-DYVFJYSZSA-N	390.484	2.164	0	1	GEAF	
Nc1ncc(-c2ccc(C3(c4noc(-c5ccc(=O)[nH]c5)n4)CCC3)cn2)cn1	96175513	CTVVBKGCCVTDHX-UHFFFAOYSA-N	387.403	2.329	0	1	GEAF	
CC(C)(C)OC(=O)N[C@H](CCCOCN)C(=O)Oc1ccc([N+](=O)[O-])cc1	97972641	LWVHGLZSKFXEJD-CQSZACIVSA-N	383.401	2.107	0	1	GEAF	
CON(C)C(=O)C(=O)Nc1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1	103236730	CPYXGFFJLOTOSJ-UHFFFAOYSA-N	399.491	2.478	0	1	GEAF	
CCCc1c(O)n(-c2ccccc2)c(SCCN2CCOCC2)nc1=O	103972319	UABCWCDOFHGWMO-UHFFFAOYSA-N	375.494	2.315	0	1	GEAF	
COc1ncc(Nc2ncc(C(C)(C)O)nc2-c2cc(N)nc(C)n2)cc1F	113147759	QHIZLUJPVDLRHH-UHFFFAOYSA-N	385.403	2.338	0	1	GEAF	
CC(C)NCc1cc2cc3c(cc2n1C)OCCc1c-3[nH]c(=O)c(C(=O)O)c1O	145027740	RTWSGPWKVFKPAM-UHFFFAOYSA-N	397.431	2.370	0	1	GEAF	
Cc1nn(-c2ccnc(Nc3ccc4c(ccn4C)c3)n2)cc1CN1CC(O)C1	169709030	JHTUZYLSANCWSB-UHFFFAOYSA-N	389.463	2.383	0	1	GEAF	
CC[C@@H]1OC(=O)[C@@H](C)[C@@H](O)[C@H](C)[C@@H](O)[C@H](C)C[C@@H](C)C(=O)[C@@H](C)[C@@H](O)[C@@H]1C	238739359	HQZOLNNEQAKEHT-IKINDULGSA-N	386.529	2.180	0	1	GEAF	
CCNC(=O)Cc1c(-c2ccc(OCCF)cc2)nn2c(C)cc(CO)nc12	299854391	XVEMLJMKAADARM-UHFFFAOYSA-N	386.427	2.224	0	1	GEAF	
CCOC(=O)c1nnn(-c2c(C)[nH]c3c(C(=O)O)cccc23)c1C(=O)OCC	587639373	TXYHORUPZKXWNZ-UHFFFAOYSA-N	386.364	2.109	0	1	GEAF	
Cc1nc(N2CCOCC2)sc1C(=O)n1ncc2ccc(Cl)cc2c1=O	587654166	PBNWOPZICNOACF-UHFFFAOYSA-N	390.852	2.340	0	1	GEAF	
Cc1cn2cc(NC(=O)c3cc(F)c(N4CCN[C@@H](C)C4)cc3F)ncc2n1	1772657503	PINDEFOBZXFREY-NSHDSACASA-N	386.406	2.366	0	1	GEAF	
Cc1ccc(Cc2cc3c(cc2Cl)CO[C@]32O[C@H](C)[C@@H](O)[C@H](O)[C@H]2O)s1	1857552671	DVSLMYWENSQQCL-WBPUTQLOSA-N	396.892	2.485	0	1	GEAF	
CCCC(=O)Nc1cc(Nc2ccccc2S(C)(=O)=O)c(C(=O)NC)cn1	1857593876	FQHIMHYWSNDPOL-UHFFFAOYSA-N	390.465	2.327	0	1	GEAF	
Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccc(C(=N)N)cc2)cc1	1857752522	XHCSVRMPEXXEDO-KRWDZBQOSA-N	386.477	2.071	0	1	GEAF	
COc1ccc([C@]2([C@@]34C[C@H]5C[C@@](O)(C[C@@](F)(C5)C3)C4)NC(=N)N(C)C2=O)cc1	1911586197	ZTMMGDFSHICYDN-JQSMKGQXSA-N	387.455	2.310	0	1	GEAF	
Cc1ccc(S(=O)(=O)NC(=O)[C@@]2(C)CCN2C(=O)c2cccc(F)c2)cc1	61926394	FLENWAQSGCETAW-LJQANCHMSA-N	390.436	2.244	0	3	GEAF	
COc1ccc(-c2ccc(N3C[C@H](CNC(C)=O)OC3=O)cc2F)ccc1=O	3807482	JBPAWJMDARDLTI-HNNXBMFYSA-N	386.379	2.323	0	1	GEAF	
O[C@H]1[C@H](N2CCSCC2)c2ccccc2C12CCN(c1ncccn1)CC2	19742219	OFNDVXSBWMWUDE-MOPGFXCFSA-N	382.533	2.479	0	1	GEAF	
C[C@@H]1CCC(C(=O)O)=C(NC(=O)[C@H](C)Cc2ccn(-c3ccc(O)cn3)n2)C1	49089754	MAQNNXDIBALTGA-CHWSQXEVSA-N	384.436	2.426	0	1	GEAF	
CCS(=O)(=O)N1CCN([C@@H](c2ccc(Cl)cc2)c2cncnc2)CC1	72101644	LVMOLPJMCFJLGG-KRWDZBQOSA-N	380.901	2.187	0	1	GEAF	
CC(=O)N1CCN(C(=O)c2cnc(NCC3CC3)nc2-c2ccc(F)cc2)CC1	82140381	ZKHFGRSOEOGRJK-UHFFFAOYSA-N	397.454	2.409	0	1	GEAF	
OC[C@@H]1[C@@H](O)[C@@H](O)CCN1CCCCCOCC12CC3CC(CC(C3)C1)C2	84604267	VIZUYNYAIYKSCL-DTLHNFCGSA-N	381.557	2.178	0	1	GEAF	
NC(=O)c1cccc2c1C(=O)N(CCCN1CCC(N3CCCCC3)CC1)C2	143728990	IFYZHTOYLJQIFK-UHFFFAOYSA-N	384.524	2.082	0	1	GEAF	
CNC(=O)[C@H](CC(C)C)NC(=O)c1ccc(C2CC2)c(OC[C@H]2CCCO2)n1	150170002	HFQIXSJGSFSITI-QAPCUYQASA-N	389.496	2.407	0	1	GEAF	
CCNC(=O)Nc1nc2cc(-c3cncnc3)c(N3CCOCC3)nc2s1	169340118	ZERPWIHGOJSFAO-UHFFFAOYSA-N	385.453	2.126	0	1	GEAF	
COc1cc(O)c2c(=O)c(S(=O)(=O)O)c(-c3ccc(O)c(OC)c3)oc2c1	238731887	OYLZHNFMDYXMTA-UHFFFAOYSA-N	394.357	2.135	0	1	GEAF	
COc1cccc(Nc2ccnc(NC3CCN(S(C)(=O)=O)CC3)n2)c1	299834544	YTUHZLLFZWVUQM-UHFFFAOYSA-N	377.470	2.065	0	1	GEAF	
CCc1cc(O)nc(SCc2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)n1	586966587	JYHMSVFJAGUHOG-UHFFFAOYSA-N	393.494	2.164	0	1	GEAF	
Oc1nc(S)nc2[nH]c(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)nc12	587114713	XLTSYXPVKJWPPX-UHFFFAOYSA-N	394.342	2.068	0	1	GEAF	
O=C(O)C[C@@H](NC(=O)OCc1ccccc1)c1nc2c(Cl)ncnc2[nH]1	587203491	QWEYZBQFOMOLDW-SNVBAGLBSA-N	375.772	2.449	0	1	GEAF	
C=CS(=O)(=O)N1CC[C@@H](C(=O)N(C)c2ccc(OC(F)(F)F)cc2)C1	621485634	CHUYOSUSRPMZIS-LLVKDONJSA-N	378.372	2.343	0	1	GEAF	
Cc1nccn1[C@@H]1[C@H]2OC[C@@H](O2)[C@H](NCc2ccc(Cl)c(Cl)c2)[C@H]1O	2356455495	WDTPVGKHFOLDQN-HMDCTGQHSA-N	384.263	2.314	0	1	GEAF	
Nc1cnccc1C(=O)N[C@@H]1N=C(c2ccccc2)c2cccc3c2N(CC3)C1=O	13835642	MFXSNNATOPLLNY-NRFANRHFSA-N	397.438	2.160	0	1	GEAF	
C[C@]1(NCC2CCN(Cc3ccccc3)CC2)c2ccc(=O)[nH]c2CC[C@@H]1O	26979789	HDVGLNSYFCVPTD-GMAHTHKFSA-N	381.520	2.399	0	1	GEAF	
O=C(Nc1ccccc1)O[C@@H]1CO[C@@H]2[C@@H]1OC[C@@H]2n1cc(-c2ccccn2)nn1	36365631	FFFKGYKECKGKKA-ZSYWTGECSA-N	393.403	2.296	0	1	GEAF	biogenic
O=C(Nc1ccccc1F)N[C@@H]1CC[C@H](CCNC(=O)C2CCC2)O[C@@H]1CO	95903908	SNFIVQMNSFUFJY-ZTFGCOKTSA-N	393.459	2.162	0	1	GEAF	
CCCO[C@@H]1C([N+](=O)[O-])=C(N(CC)Cc2ccc(Cl)nc2)N(C)[C@@]1(C)O	103185908	ZSYFDJMHUUBBIL-WBVHZDCISA-N	384.864	2.452	0	1	GEAF	
Cn1nc(-c2ccccc2)cc1C(=O)N[C@H](CCC(=O)c1ccc[nH]1)C(=O)O	473152185	SNWUMHOWSUMZMA-OAHLLOKOSA-N	380.404	2.261	0	1	GEAF	
CS(=O)(=O)N1CCc2c(ccc(-c3nc4cc(F)cc(F)c4[nH]3)c2N)C1	586955349	PMLOESSWOGECFL-UHFFFAOYSA-N	378.404	2.408	0	1	GEAF	
CCn1ncc([C@@]2(CN3CCOCC3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C	587432116	NGNDIEFVFIEBIQ-VGSWGCGISA-N	397.475	2.195	0	1	GEAF	
COc1cc2c3c(c1)O[C@@]1(COCCN(C(=O)OC(C)(C)C)C1)[C@@H](C2)C3=O	587445337	VIDAXYXQMLSLHZ-XOBRGWDASA-N	375.421	2.449	0	1	GEAF	
C=CS(=O)(=O)N1CCN(Cc2ccc(Br)c(OC)c2)CC1	618020191	FPLDIHACVSFMDM-UHFFFAOYSA-N	375.288	2.049	0	1	GEAF	
O=C(O)[C@@H]1Cc2ccc(Oc3ccc(O)cc3)cc2[C@@]2(CC=Cn3ncnc32)N1	962926840	MZHPADKDNLFYCG-GHTZIAJQSA-N	390.399	2.493	0	1	GEAF	
CNC(=O)[C@@H](C)Oc1ccccc1[C@@H]1NCCc2ccc(C(=O)N(C)C)cc21	962932504	QIMHIUHCGKAPCX-VLIAUNLRSA-N	381.476	2.137	0	1	GEAF	
CC1(C)CC(NC(=O)C(=O)Nc2ccnc(Br)c2)CC(C)(C)N1	1857589808	WPEJPMACHHURAL-UHFFFAOYSA-N	383.290	2.208	0	1	GEAF	
CC(=O)Nc1ccc2nc(O)n([C@@H]3CCN(C(=O)OC(C)(C)C)C3)c(=O)c2c1	1857595166	CSKPSRKMVJHQIG-CYBMUJFWSA-N	388.424	2.242	0	1	GEAF	
CN(C)CCN(C)CC[C@@H]1CN(C(=O)c2ccccc2)CC[C@H]1CC(=O)O	2356863988	VJWMPGDTTOSZMW-RBUKOAKNSA-N	375.513	2.123	0	1	GEAF	
CC1CCN(C(=O)[C@H](NS(=O)(=O)c2cccc3nsnc23)C(C)C)CC1	5067960	ZPBSUEQUSCCZMI-OAHLLOKOSA-N	396.538	2.253	0	3	GEAF	
COc1ncc(-c2ccc3c(c2)S(=O)(=O)c2cccc(C(=O)O)c2C3=O)cn1	36382284	BJRLURDIWIUSSP-UHFFFAOYSA-N	396.380	2.228	0	3	GEAF	
Cc1ccc(N(CC(=O)NCCc2ccccc2C)S(=O)(=O)N(C)C)cc1	8604272	BPDZHTUXIARTIC-UHFFFAOYSA-N	389.521	2.275	0	1	GEAF	
CC(=O)N1CCN(C(=O)Cn2c(-c3ccc(Cl)cc3)nc3cccnc32)CC1	13824830	OIBDOAFGAUJRPZ-UHFFFAOYSA-N	397.866	2.442	0	1	GEAF	
CCN(CC)CCNC(=O)c1cn2cc(I)ccc2n1	40424600	ABECJYXTDZBKJM-UHFFFAOYSA-N	386.237	2.011	0	1	GEAF	
CNC[C@@H](O)CCN1c2ccccc2N(c2cc(F)ccc2F)S1(=O)=O	49037376	UJEHPOIYQOLYRD-ZDUSSCGKSA-N	383.420	2.138	0	1	GEAF	
CCc1nc(C(=O)N[C@H](C)C(=O)NCc2cccc(OC)c2OC)cs1	82070526	XBCPISSSASSLLL-LLVKDONJSA-N	377.466	2.157	0	1	GEAF	
O=C(NC1[C@H]2CC3C[C@H]1CC(O)(C3)C2)c1cnc(N[C@H]2CCOC2)nc1C1CC1	101584603	DFVVWZTUNUJGGE-JWSDENJUSA-N	398.507	2.224	0	1	GEAF	
O=S(=O)(NCc1nc2cccc(Cl)c2[nH]1)c1ccc2c(c1)OCCO2	586941250	IAQYHOLEZHUZQA-UHFFFAOYSA-N	379.825	2.466	0	1	GEAF	
CCOC(=O)c1nnn(Cc2cc3c4c(cccc4n2)CC3)c1C(=O)OCC	587210417	AUVPFDYOLPDUDG-UHFFFAOYSA-N	380.404	2.327	0	1	GEAF	
Cc1nonc1CC(=O)N1CCC[C@H](Cc2cc(-c3c(C)noc3C)ncn2)C1	618016864	GPKCJFGWGMKUJQ-OAHLLOKOSA-N	396.451	2.464	0	1	GEAF	
CS(=O)(=O)c1n[nH]c(-c2ccc(=O)n(Cc3ccc(C(F)(F)F)cc3)c2)n1	1857752901	CPHSXLRHZIBOMG-UHFFFAOYSA-N	398.366	2.104	0	1	GEAF	
CCOC(=O)Cn1c(=O)oc2cc(S(=O)(=O)Nc3ccc(F)cc3)ccc21	4958969	LLCRZWCMLURDBX-UHFFFAOYSA-N	394.380	2.098	0	3	GEAF	
CCN(Cc1cnn(C)c1)C(=O)[C@H]1CCC(=O)N(CCc2ccc(OC)cc2)C1	12092174	QVLZYCDCPLNMPR-IBGZPJMESA-N	398.507	2.259	0	3	GEAF	
COc1ccc(NC(=O)CCCN2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)c(OC)c1	3958685	VBIGSIOZBVFIGC-ATNYCFDYSA-N	384.432	2.230	0	1	GEAF	
COc1ccc(NC(=O)O[C@@H]2CC[C@H]([C@H](N)C(=O)N3CCSC3)C2)cc1	27979839	LKYFKLGYIAVFES-MAZHCROVSA-N	379.482	2.273	0	1	GEAF	
COc1cc(C)cc(OC)c1OC(=O)[C@@H](CC(=O)N1CCCC1)N1CCCC1	40632086	SYWZHWHTKKHEEM-MRXNPFEDSA-N	390.480	2.395	0	1	GEAF	
COCCN(CCCF)c1nc(C)nc2c(-c3cnc(OC)nc3)c(C)nn12	71329556	QIKGXDRLYTUWSV-UHFFFAOYSA-N	389.435	2.019	0	1	GEAF	
CC(C)NC(=O)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2Cc1cccnc1	95794439	ZWLPDUFUZNOPDM-VQTJNVASSA-N	380.492	2.214	0	1	GEAF	
O=C(C[C@H]1CC[C@H](NC(=O)C2CCC2)[C@@H](CO)O1)NCc1ccccc1Cl	95905106	DLKBRBFAHGAPTH-BPQIPLTHSA-N	394.899	2.171	0	1	GEAF	
COc1cc(NC(C)=O)c(Cl)cc1C(=O)NCC1[C@@H]2CC3C[C@@H]1CN3C2	100820065	SEKBYKQAGUKZBE-SIUPQYRZSA-N	377.872	2.377	0	1	GEAF	
C=CC(=O)Nc1ccnc(Sc2c(OC)nc(N3CCCC3)nc2OC)n1	103253578	HJHJWPDBDKKZEI-UHFFFAOYSA-N	388.453	2.160	0	1	GEAF	
CNc1nc(Nc2ccc(-c3nnn(C)n3)cc2OC)ncc1C(F)(F)F	169704333	GEZDCLKTBLNLHP-UHFFFAOYSA-N	380.334	2.480	0	1	GEAF	
CN(C)c1cccc2c(S(=O)(=O)NCc3nc4c(N)ccnc4[nH]3)cccc12	586941568	BAXNIAIMIMLMSI-UHFFFAOYSA-N	396.476	2.238	0	1	GEAF	
CN(c1ncnc2[nH]ccc12)[C@H]1C[C@@H](NS(=O)(=O)CCCC(F)(F)F)C1	1772633211	JRCJCLRXEMDJKD-PHIMTYICSA-N	391.419	2.187	0	1	GEAF	
Cc1nc2c(N3CCOCC3)ncnc2n1Cc1ccc(-c2cncnc2)cc1	1772650583	SUPFQOVKONIXED-UHFFFAOYSA-N	387.447	2.477	0	1	GEAF	
Cc1ccccc1NC[C@H](O)CN1CCN(c2cccc3c2CCC(=O)N3)CC1	1857552162	JPXFQWXZHWYNNK-SFHVURJKSA-N	394.519	2.475	0	1	GEAF	
CCCOC[C@H]1C(C)=CS[C@@H]2[C@H](NC(=O)COc3ccccc3)C(=O)N12	1857589329	WNCPEILRWQNDFO-KVSKMBFKSA-N	376.478	2.164	0	1	GEAF	
CC(C)(C)CCN[C@@H]1C[C@H](O)[C@@H](CO)[C@@H]1Cc1ccnc(-c2cccnc2)n1	2356346359	PSWMFJGSRFRQBZ-HAGHYFMRSA-N	384.524	2.465	0	1	GEAF	
COC(=O)C1=CCC[C@H]2[C@@](C)(CCC3=C[C@@H](O)OC3=O)[C@@H](C)CC[C@]12CO	2356564766	BYFSMZRCILPVAM-BKRLDNPDSA-N	378.465	2.493	0	1	GEAF	
C[C@H]1CCC[C@H](NC(=O)C2CCN(S(=O)(=O)N3CCCCC3)CC2)[C@@H]1C	4686743	FUGVBRYQGMKFNW-JZXOWHBKSA-N	385.574	2.370	0	1	GEAF	
COc1cc(C[C@@H]2C(=O)OC[C@@H]2[C@@H](O)c2ccc(OC)c(OC)c2)ccc1O	14646819	YDYHLKYAFOTIKL-AVYPCKFXSA-N	388.416	2.483	0	1	GEAF	biogenic
CN(C)CCN(C)CC[C@H]1CN(C(=O)c2ccccc2)CC[C@H]1CC(=O)O	20462944	VJWMPGDTTOSZMW-OALUTQOASA-N	375.513	2.123	0	1	GEAF	biogenic
COc1cc(N[C@H](C)CCCNC(=O)[C@@H](N)CCCCN)c2ncccc2c1	26744924	GVHGVTLGBAHIPI-QAPCUYQASA-N	387.528	2.397	0	1	GEAF	
COC(=O)[C@@H](C(C)=O)C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1	36384654	DWPFNBVNAILJTJ-OALUTQOASA-N	397.427	2.471	0	1	GEAF	
COc1ccc(S(=O)(=O)Nc2ccc(C(=O)CSC(C)=O)cn2)cc1	45497156	ZBDRJFDCNXTHLS-UHFFFAOYSA-N	380.447	2.353	0	1	GEAF	
O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1ccc2c(c1)OCCO2	95573963	DEEMEUSWISNMSM-GHTZIAJQSA-N	379.460	2.288	0	1	GEAF	
C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(=O)C3CC3)[C@H]2CNC(=O)NC(C)C)cc1	95895929	ZSUGEGVLQGZVEF-UIJPIBLASA-N	385.508	2.493	0	1	GEAF	
COc1ccc(CCNC(=O)c2c(C)[n+]([O-])c3cc(C)c(C)cc3[n+]2[O-])cc1	102021204	OWPAJFQWRDGXLT-UHFFFAOYSA-N	381.432	2.013	0	1	GEAF	
O=C(NCc1ccco1)[C@@H](Cc1ccccc1)N1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O	169301392	VWNCTUPXYXYUEH-LHDHZVESSA-N	390.439	2.314	0	1	GEAF	
Cc1ccc(C(=O)COC(=O)CCN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3[C@H]3C[C@H]32)cc1	195375856	QRDAQKFOOJDULX-GQDVPIKJSA-N	393.439	2.164	0	1	GEAF	
NS(=O)(=O)c1c[nH]c(-c2nc3cnc(C(F)(F)C(F)(F)F)cc3[nH]2)c1	586929997	KPYCHLBSDSQGRW-UHFFFAOYSA-N	381.286	2.255	0	1	GEAF	
O=C(OCc1ccccc1)N1CC[C@@]2(Cc3cc4c(O)nc(O)nc4nc32)C1	587557460	IIFIHJVFGNAEOT-HXUWFJFHSA-N	378.388	2.272	0	1	GEAF	
O=c1n(Cc2nc3ncccc3n2CCCCO)c2cnccc2n1C1CC1	1911583585	QUVNSJRASRRCGV-UHFFFAOYSA-N	378.436	2.098	0	1	GEAF	
O=C1CO[C@@H]2CN(c3nccc(C(F)(F)F)n3)C[C@@H]2N1Cc1ccccc1	2356478353	BBJJBHFTKYYGQY-UONOGXRCSA-N	378.354	2.112	0	1	GEAF	
COc1cc2c(c(OC)c1OC)-c1ccc(CO)c(=O)cc1[C@@H](NC(C)=O)CC2	2356521649	HCIYPJVVONCQSC-KRWDZBQOSA-N	399.443	2.355	0	1	GEAF	
CCOC(=O)C=C(C)C(=O)O[C@@H]1C[C@H]2C[C@@H](OC(=O)C=C(C)C)[C@@H](C1)N2C	2356541589	LTHNNGQCWYQQLA-YLFCFFPRSA-N	379.453	2.152	0	1	GEAF	
C[C@H](C(=O)N1CCOCC1)[C@@H]1CC[C@]2(C)Cc3sc(=N)[nH]c3[C@H](C)[C@@H]2[C@@H]1O	2356849393	PVYVZTFGACOSGT-QDRCKXFKSA-N	393.553	2.104	0	1	GEAF	
C[C@@H]1CCC[C@@H](NC(=O)C2CCN(S(=O)(=O)N3CCCCC3)CC2)[C@@H]1C	4686745	FUGVBRYQGMKFNW-JFIYKMOQSA-N	385.574	2.370	0	3	GEAF	
COc1cc2c(cc1OC)[C@]13CCN4C=C5CCO[C@@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@H]43	254111183	BUQWXEFUPCTDBF-HOFBXOBWSA-N	394.471	2.457	0	3	GEAF	
NC[C@H]1CCCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C1	9133178	PLANNMJDYUWXND-SNVBAGLBSA-N	377.391	2.488	0	1	GEAF	
O=C(O)[C@@H](Cc1ccc2c(c1)OCO2)[C@@H](Cc1ccc2c(c1)OCO2)C(=O)O	18058903	FFYBYVPVYLMLAR-OKILXGFUSA-N	386.356	2.331	0	1	GEAF	
C[C@H]1CN[C@H](C)CN1c1c(F)c(N)c2c(=O)c(C(=O)O)cn(C3CC3)c2c1F	29394655	BFFLPXGMKOHOCH-BDAKNGLRSA-N	392.406	2.082	0	1	GEAF	
COc1cc([C@@H]2O[C@@H](c3ccc(O)c(OC)c3)[C@H](CO)[C@H]2CO)ccc1O	40873153	NYDZRKZVFLLTLO-NSMLZSOPSA-N	376.405	2.145	0	1	GEAF	
O=C(O)C(=O)N(c1ccccc1C(=O)O)c1ccccc1N1CCC(CO)CC1	43012068	LSRZNGXFAYAYAN-UHFFFAOYSA-N	398.415	2.343	0	1	GEAF	
O=C(O)CC[C@@H](NC(=O)c1ccc(/C=C2\SC(=S)N=C2O)cc1)C(=O)O	43059458	WTDHGQVHFUZGJX-PAKSIRSJSA-N	394.430	2.064	0	1	GEAF	
Cn1nc(C(C)(C)C)cc1NC(=O)N1CCCN(C(=O)C2CCOCC2)CC1	71316311	WARXHNZFOLIEBN-UHFFFAOYSA-N	391.516	2.210	0	1	GEAF	
COc1cc(OC)cc(OS(=O)(=O)c2ccc(N3CCNC3=O)cc2)c1	72110013	YRRQRWSARAVDMI-UHFFFAOYSA-N	378.406	2.001	0	1	GEAF	
CCN(CC(=O)Cc1c(F)cccc1F)C(=O)Cc1n[nH]c(=O)c2ccccc12	103230311	IAPLZDKTJOTMQN-UHFFFAOYSA-N	399.397	2.404	0	1	GEAF	
Cc1ccc(N2CCN(CCNC(=O)c3cnc4ccccc4n3)CC2)cc1	140293600	HKRRXXVVKCZIRC-UHFFFAOYSA-N	375.476	2.490	0	1	GEAF	
C[C@H](C[P@](=O)(O)C[C@H](CCC(=O)O)C(=O)O)C(=O)OCc1ccccc1	253641031	NYUFUODXMXEYLV-OCCSQVGLSA-N	386.337	2.202	0	1	GEAF	
CCOC(=O)[C@@H](C(C)C)[C@@]1(C(=O)OCC)N[C@H](C(=O)O)Cc2cc(F)ccc21	962903266	UFGWMXSCQSNZSN-YRNRMSPPSA-N	395.427	2.018	0	1	GEAF	
O=C1CN(C(=O)CCc2nnc(C3(c4ccc(Cl)cc4)CCC3)o2)CCN1	12456564	DMCRUPZMGHMHKG-UHFFFAOYSA-N	388.855	2.084	0	1	GEAF	
COc1cccc([S@](=O)c2nc3c(N)ncnc3n2CCOC(C)C)c1	13642829	VYMNYUOAXXFCKF-AREMUKBSSA-N	375.454	2.009	0	1	GEAF	
OCCOCCN1CCN(C2=Nc3ccc(O)cc3Cc3ccccc32)CC1	13861668	SWTGNUQPOPLXHY-UHFFFAOYSA-N	381.476	2.001	0	1	GEAF	
CC(=O)S[C@H](C(=O)c1cccc(F)c1)[C@H](C)C(=O)N1CCC[C@H]1C(=O)O	27305050	PZYULGLJQCUJFF-FSBGKCOPSA-N	381.425	2.368	0	1	GEAF	
CC1(C)CN(C(=O)c2ccccc2)CCN1S(=O)(=O)c1c[nH]c2ncccc12	28826929	PLCXSHYKLMZQIL-UHFFFAOYSA-N	398.488	2.488	0	1	GEAF	
O=S(=O)(c1ccc(Cl)cc1)c1n[nH]c2cccc(N3CCNCC3)c12	64453866	RWEXLAPXUHWLEY-UHFFFAOYSA-N	376.869	2.459	0	1	GEAF	
O=C(NC1[C@H]2CC3C[C@@H]1CC(O)(C3)C2)c1ccc(N2CCOCC2)nc1C1CC1	95572585	WYTGYKXJNWWDCV-CVVPBCRKSA-N	397.519	2.465	0	1	GEAF	
COC(=O)c1cn(C[C@H](Cc2ccccc2)NC(=O)Nc2ccccc2)nn1	95783902	DBLMFGOWTBVKOD-KRWDZBQOSA-N	379.420	2.498	0	1	GEAF	
CCC(=O)N1[C@H](CO)[C@H](c2ccc(-c3cccnc3)cc2)[C@@H]1CN(C)C(C)=O	95895064	BKBOAOSUDHSALI-TUNNFDKTSA-N	381.476	2.292	0	1	GEAF	
O=C(c1cc(Br)c(Br)o1)N1C[C@@H]2CNC[C@H](C2)C1	169711274	QCALFEPRDXKIOG-YUMQZZPRSA-N	378.064	2.486	0	1	GEAF	
CN1C[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]2[C@]12C(=O)Nc1ccc(Cl)cc12	254119885	LUNLEWAMTYKVKX-ZSOFBXJNSA-N	399.809	2.378	0	1	GEAF	
C[C@@H]1CN(CCn2cnnn2)CC[C@H]1N(C(=O)c1ccco1)c1ccccc1	299805018	FRHGRTAWAXPTEX-SJLPKXTDSA-N	380.452	2.324	0	1	GEAF	
O=C(Nc1ccc(NC2=NCCN2)cc1)c1ccc(NC2=NCCN2)c(Cl)c1	473113326	ITTZOJVVYPHJLD-UHFFFAOYSA-N	397.870	2.335	0	1	GEAF	
CS(=O)(=O)N1CCc2c(ccc(-c3nc4c(Cl)ccnc4[nH]3)c2N)C1	586954370	AWELTNPHHYVGDC-UHFFFAOYSA-N	377.857	2.178	0	1	GEAF	
C=CS(=O)(=O)N[C@H]1CCN(C(=O)CCc2c[nH]c3cccc(Cl)c23)C1	621478513	WUAHQKLLYVRLFC-ZDUSSCGKSA-N	381.885	2.418	0	1	GEAF	
CC[C@@H](C(=O)N1CCN(c2cccc(Cl)c2)CC1)N1C(=O)C[C@H](C)C1=O	653788960	KPLLWJAAXAZXAD-BBRMVZONSA-N	377.872	2.162	0	1	GEAF	
Cc1ccnc2c1CCN[C@@]2(c1c[nH]c(C(=O)NCCCN(C)C)c1)C1CC1	963074688	XSTVLLDJESCFAM-JOCHJYFZSA-N	381.524	2.199	0	1	GEAF	
Cc1cc(C(=O)N[C@@H]2[C@H](c3ccc(C(F)(F)F)nc3)C[C@@H](O)[C@@H]2O)c(C)o1	2356286603	HOCJWKXOQLMRNP-XNISGKROSA-N	384.354	2.318	0	1	GEAF	
C[C@H](c1ccc(C=O)cc1)[C@@H]1[C@H]2C=C[C@H]3[N@]1[C@@]3(O)[C@@H]2[C@@H]1CC[C@@H]2[C@@H](O)CC[C@H]2N1	2356352675	YGJQHYAOWQXDEG-VJLAZWLQSA-N	394.515	2.051	0	1	GEAF	
O=C1C=C[C@H](O)[C@@H]([C@@H](O)[C@H](OC(=O)C=Cc2ccccc2)c2ccccc2)O1	2356573259	HCJURVKKVSCZRL-MVWVFHAYSA-N	380.396	2.188	0	1	GEAF	
CC[C@]1(O)CCc2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)[C@@H]1C(=O)OC	5004088	INYMGFOOIHFPOO-VGSWGCGISA-N	396.395	2.217	0	1	GEAF	biogenic
N=C(N)NCCC[C@@H](NC(=O)C1CCCC1)C(=O)c1nc2ccccc2s1	12503349	NQABUEUFRXDDFI-CQSZACIVSA-N	387.509	2.417	0	1	GEAF	
C[C@H](OC(=O)[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1C=C[C@H]2[C@@H]2C[C@H]12)C(=O)c1ccccc1	13153899	PJEWTIDBYNHYEL-ZJUBJBRTSA-N	393.439	2.243	0	1	GEAF	
C[C@H]1[C@@H](O)Oc2c(O)cc(O)c3c2[C@H]1Cc1c-3oc2cc(O)cc(O)c2c1=O	13373213	JWEDLHAANQXQMP-KXCWDCKNSA-N	384.340	2.269	0	1	GEAF	
N=C1NC(=O)/C(=C/c2ccc(-c3ccc(S(N)(=O)=O)c(Cl)c3)o2)S1	14963249	AWYIDZJUHWGVPJ-WDZFZDKYSA-N	383.838	2.386	0	1	GEAF	
CC(C)CCN1CCS[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C1=O	26377412	QDYLEULWNKJAII-IRXDYDNUSA-N	392.521	2.179	0	1	GEAF	
CC[C@@H]1CN(C(=O)c2ccccc2)CCN1S(=O)(=O)c1c[nH]c2ncccc12	28826931	YTXBGWLKIPICDW-MRXNPFEDSA-N	398.488	2.488	0	1	GEAF	
CC(=O)Nc1cc(-c2ccnc(N3CCOCC3)c2)nc(-n2nc(C)cc2C)n1	40422957	SSWHPIYEHLSRFD-UHFFFAOYSA-N	393.451	2.136	0	1	GEAF	
COc1cc(CNC(=O)c2nnc(-c3ccccc3N)o2)cc(OC)c1OC	43022250	DBDYRVWLILDRJW-UHFFFAOYSA-N	384.392	2.275	0	1	GEAF	
O=C1O[C@@H](Cn2ccnn2)CN1c1ccc(-c2ccn3ncnc3c2)c(F)c1	103255145	YQZRXRDKNNOEBQ-AWEZNQCLSA-N	379.355	2.152	0	1	GEAF	
CN1CCOc2cc(-c3cc4ncccc4c(OC[C@H]4CNC(=O)C4)n3)cnc21	141863335	UOECNKIDCIICKR-CYBMUJFWSA-N	391.431	2.035	0	1	GEAF	
CC[C@@]1(C(=O)OC)N[C@@H](c2ccco2)[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]21	169294978	MFLOOZLIIRLPET-IHSNIMORSA-N	386.379	2.191	0	1	GEAF	
Cc1cc(-c2nc3c4n(c(=O)n(Cc5ccccc5)c-3n2)C[C@@H](C)N4)nn1C	169724908	SVRQCMHHKLHTJS-GFCCVEGCSA-N	375.436	2.116	0	1	GEAF	
CN1CCN(CCc2cn(CC3=CC[C@@H](C(=O)NO)C=C3)c3ccccc23)CC1	221898685	UDLAINZLDJPMES-IBGZPJMESA-N	394.519	2.439	0	1	GEAF	
COc1ccc(-n2c(CCN(C(C)=O)C(C)=O)nc3ccccc3c2=O)cc1	473165419	BUIQHQDGUAPNTG-UHFFFAOYSA-N	379.416	2.332	0	1	GEAF	
COC(=O)c1ccc2nc(-c3sc(NS(C)(=O)=O)nc3C)[nH]c2c1OC	586951748	XTEZGPSOJZKMAS-UHFFFAOYSA-N	396.450	2.162	0	1	GEAF	
CNS(=O)(=O)N1CCC(c2nc3cccc(OC(F)(F)F)c3[nH]2)CC1	586954258	GKZFGJSZRPDNCS-UHFFFAOYSA-N	378.376	2.105	0	1	GEAF	
NC(=O)c1cccc(C[C@H](N)c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c1	587260083	NJWFQKBGRJJMSW-QMMMGPOBSA-N	384.749	2.318	0	1	GEAF	
C[C@@]1(c2ccc(NC(=N)N)cc2)N[C@@H](C(=O)O)Cc2c1cnc1ccccc21	963218134	CBGGUMVTLVYAFH-NQIIRXRSSA-N	375.432	2.403	0	1	GEAF	
COc1cc(C[C@H]2SC(=O)NC2=O)ccc1OS(=O)(=O)c1ccccc1	1911577517	UCNIGBOXDSEOIH-OAHLLOKOSA-N	393.442	2.357	0	1	GEAF	
C[C@@]1(CO)CN(Cc2ccccc2)C[C@H]2CN(C(=O)Cc3ccccc3)CCN21	2356303335	QSRAXLIKHQWSMY-UPVQGACJSA-N	393.531	2.009	0	1	GEAF	
CC(C)=CC[C@H]1C(=O)N2c3ccccc3[C@H]1[C@@]21NC(=O)C(=Cc2c[nH]cn2)N1	2356378355	GZLJILCJSJSFSB-FQELHTAISA-N	375.432	2.240	0	1	GEAF	
CN(C)c1ccc(C2=NOC[C@]2(C)C(=O)N[C@H](CO)Cc2ccccc2)cc1	769663	AMQDYMCMUMKLDY-AVRDEDQJSA-N	381.476	2.213	0	1	GEAF	
N#Cc1ccc(C(=O)N2C[C@@H]3C[C@H](C2)Cn2c3c(-c3cncnc3)ccc2=O)cc1	25435769	ZHKXRZVHHQEPGM-AEFFLSMTSA-N	397.438	2.436	0	1	GEAF	biogenic
O=C(Cc1ncc[nH]1)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1	40394557	IJJIVWLLOMQWOM-IBGZPJMESA-N	394.475	2.163	0	1	GEAF	
CN(C(=O)CN1CCN(c2nc(N)nc3sccc23)CC1)c1ccccc1	45358733	WBMYAUPBDJIBKB-UHFFFAOYSA-N	382.493	2.059	0	1	GEAF	
C/C=C/c1ccc([C@H]2[C@@H](CO)N(S(=O)(=O)CC)[C@H]2CN(C)C(=O)CC)cc1	95871718	CSEYPPCRQPVGFO-HETDBMISSA-N	394.537	2.067	0	1	GEAF	
OC[C@H](O)COc1cccc(CN2CCC[C@@H](Nc3ccc4[nH]ncc4c3)C2)c1	114338836	OXZZTYUKEITHSD-UXHICEINSA-N	396.491	2.371	0	1	GEAF	
O=C(c1cc2ncc(Br)cn2n1)N1CCc2ncsc2CC1	150198301	HFBSTQOCRHPHJB-UHFFFAOYSA-N	378.255	2.189	0	1	GEAF	
COc1ccc(NC(=O)[C@@H]2[C@@H]3C=C[C@H]([C@H]2C(=O)NCCC(=O)O)C32CC2)cc1	168402693	LLTDPLQWBHQMMS-CYGHRXIMSA-N	384.432	2.053	0	1	GEAF	
COc1ccc([C@@H]2C3=C(COC3=O)N(CCO)c3cc4c(cc32)OCO4)cc1	199659979	ZJJKVUMNGOOQLE-IBGZPJMESA-N	381.384	2.179	0	1	GEAF	
C/C=C(\C)C(=O)O[C@H]1C2=C(C)C(=O)O[C@@]2(O)C[C@H]2CCC[C@@H](C(=O)O)[C@]21C	238777790	XZBCMOCFJJECSB-LJRUCFENSA-N	378.421	2.337	0	1	GEAF	
CC[C@H](C)NC(=O)c1cc([C@]2(C)N[C@H](C(=O)O)Cc3ccc(O)c(C)c32)c[nH]1	963524245	KNCSWXLBSVEOAV-VQDICGIKSA-N	385.464	2.419	0	1	GEAF	
O=C(/C=C/c1ccc2ccccc2c1)N[C@@H](CCC(=O)N1CCOCC1)C(=O)O	1857566141	YPETVRDSRIAFAE-AIADIJKESA-N	396.443	2.061	0	1	GEAF	
Cn1nnc2ccc(C(=O)NC3CN(c4cc(Cl)ncc4Cl)C3)cc21	1911571850	BFTIMHUIJDPDLU-UHFFFAOYSA-N	377.235	2.289	0	1	GEAF	
COCC(=O)N[C@@H]1[C@@H](c2ccccc2)N(Cc2c(C)noc2C)CC[C@]1(C)O	2356330235	PWJRHLOMAXLBAS-NJYVYQBISA-N	387.480	2.121	0	1	GEAF	
C[C@@H]1CC(=O)N(CC(=O)Nc2cccc(F)c2)c2ccccc2S1(=O)=O	6806571	CBUZZVARSSQMJS-GFCCVEGCSA-N	376.409	2.363	0	3	GEAF	
NC1CCC(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCc3ccccc3C2)CC1	13555123	RBNXPGSRKWKQRH-LJXQCRFFSA-N	383.536	2.416	0	1	GEAF	
C[C@@H]1Cc2c(c(O)cc3cc4c(c(O)c23)C(=O)[C@](C)(O)C(=O)C4(C)C)C(=O)O1	15252636	HWTCLZDFHWHYSX-ZEDNOMKYSA-N	384.384	2.146	0	1	GEAF	biogenic
CC(C)CCNC(=N)c1ccc(C2=NO[C@H](CC(=O)NCCC(=O)O)C2)cc1	26291245	GIHKBIMOSIUBDF-INIZCTEOSA-N	388.468	2.122	0	1	GEAF	
CN(C)CCN1C(=O)c2cccc3cc(NC(=O)C(F)(F)F)cc(c23)C1=O	28712239	ULZOFPMWKGIUGV-UHFFFAOYSA-N	379.338	2.498	0	1	GEAF	
CN(Cc1nc2cccc(C(=O)NCCN)c2[nH]1)[C@@H]1CCCc2cccnc21	34600781	DWASOSKRUBULNA-QGZVFWFLSA-N	378.480	2.156	0	1	GEAF	
O=P(O)(O)CS(=O)(=O)NCCCc1cccc(Oc2ccccc2)c1	40430052	ZEJYNMGFKAQQCD-UHFFFAOYSA-N	385.378	2.466	0	1	GEAF	
CNc1nc(N2CCN(C(=O)c3ccco3)CC2)nc2cc(OC)c(OC)cc12	40828072	OJLWPPQIGPBFLE-UHFFFAOYSA-N	397.435	2.244	0	1	GEAF	
CS(=O)(=O)c1ccc2ncc(C(N)=O)c(Nc3cccc4c3CCO4)c2c1	40873761	PAHFUSOOJGKHIO-UHFFFAOYSA-N	383.429	2.416	0	1	GEAF	
CCCCC[C@H](CC)SC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O	48998186	WXUYKABDZUOGQM-URQYDQELSA-N	395.529	2.120	0	1	GEAF	
CC(=O)c1ccc(Nc2ccc3c(c2)C(=O)N([C@@H]2CCC(=O)NC2=O)C3=O)cc1	169323716	XHGQLBKXNSAYJY-QGZVFWFLSA-N	391.383	2.034	0	1	GEAF	
CNC(=O)COc1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1OC	587431858	IEVCURSJUSHZRM-SPLOXXLWSA-N	383.400	2.317	0	1	GEAF	
COC(=O)C(=O)C[C@@]1(c2ccnn2C)CC(=O)c2ccc3c(c2O1)CCCC3	587517088	GRCOEXUGUPDQRB-OAQYLSRUSA-N	382.416	2.292	0	1	GEAF	
Cc1c(C(=O)N2CCC(C(F)(F)F)CC2)cnn1-c1nc(O)c2c(n1)CC2	1857597374	FVTQRPXFLXGOIJ-UHFFFAOYSA-N	381.358	2.189	0	1	GEAF	
Cc1ccc(NCc2nnc(SCC(N)=O)n2C[C@@H]2CCCO2)c(C)c1	923543	HRIGAIGCSQNYTO-AWEZNQCLSA-N	375.498	2.263	0	3	GEAF	
O=C1c2ccccc2[C@H](c2nnnn2-c2ccc3c(c2)OCCO3)N1C1CC1	199224944	LPZLKJYJGJLRQQ-GOSISDBHSA-N	375.388	2.141	0	3	GEAF	
C[C@@H]1CCCCN1CCNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1	4971474	WTZNATOHEHUOPF-OAHLLOKOSA-N	391.537	2.138	0	1	GEAF	
CC(C)CC(=O)OCC1=CO[C@H](OC(=O)CC(C)C)[C@H]2C1=C[C@@H](O)[C@@]21CO1	14771154	XIQPIDYOUNZVOS-XLNTUCKNSA-N	380.437	2.091	0	1	GEAF	endogenous,in-man
Cc1cc2ccccc2c(=O)n1CC(=O)NCC(=O)N[C@@H]1CCC[C@H](C)[C@H]1C	20112525	OIKYAYVZXUPPOB-ZSZQSSIHSA-N	383.492	2.367	0	1	GEAF	
N[C@H]1CCN(c2nc3c(cc2F)c(=O)c(C=O)cn3-c2ccc(F)cc2F)C1	31424720	IXOLUVCRGNJKSZ-LBPRGKRZSA-N	388.349	2.153	0	1	GEAF	
COc1nc(Cc2ccc(F)c([C@]3(C)CCSC(N)=N3)c2)nc(OC)n1	96172053	ONMXLKWQGZFZFM-KRWDZBQOSA-N	377.445	2.286	0	1	GEAF	
Cn1c(N2CCN[C@H](c3cccc(Cl)c3)C2)nc(-c2ccncn2)cc1=O	116775907	BFNRSTMWRVWTKZ-KRWDZBQOSA-N	382.855	2.042	0	1	GEAF	
Cc1c2c(N)c(C(=O)NC3CN(c4ncc(Cl)cc4F)C3)ccc2nn1C	1911574103	KTLBBHAYTZNOAH-UHFFFAOYSA-N	388.834	2.270	0	1	GEAF	
COC(=O)c1ccc2c(c1)nc1n2[C@H](CNCc2ccc(OC)nc2)COC1	2356298865	HAWKJVPXMLMZJN-OAHLLOKOSA-N	382.420	2.088	0	1	GEAF	
O=C(Nc1ccccc1)N[C@@H]1CO[C@H]2[C@H]1OC[C@H]2OC(=O)NC1CCCCC1	2356321350	IIGRHNPQMJIXBL-ZJPYXAASSA-N	389.452	2.402	0	1	GEAF	
COC(OC)[C@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1	577156	FWRIGQASSHUNQU-DLBZAZTESA-N	376.453	2.398	0	1	GEAF	
O=C(NCc1ccccc1)[C@H]1[C@H]2C=C[C@]3(CN(Cc4cccs4)C(=O)[C@H]13)O2	2458810	IILVDRCTCCJXCW-OEMYIYORSA-N	380.469	2.347	0	1	GEAF	
COc1cc(N)c(Cl)cc1C(=O)OCCN1CCN(c2ccccn2)CC1	13813975	YBWZIGZWNZLWFF-UHFFFAOYSA-N	390.871	2.305	0	1	GEAF	
CCSC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)Cc3ccccc3)C[C@@H]2S1	26390346	UXESOUSSVIJOOH-AAEUAGOBSA-N	378.475	2.026	0	1	GEAF	
Cc1cc(O)cc(C)c1[C@H](C)[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)O	26819314	FCXFTRJOTXZTEP-DCPHZVHLSA-N	382.460	2.478	0	1	GEAF	
COC(=S)NC[C@H]1CN(c2cc(F)c3c(c2)OC[C@@H]2CCCN32)C(=O)O1	27313658	PTSUFBVHUZRKBM-JQWIXIFHSA-N	381.429	2.033	0	1	GEAF	
NC[C@H]1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(O)cc2)C1	28392750	LYBGQKNZXVGARK-GFCCVEGCSA-N	397.406	2.319	0	1	GEAF	
CC(C)c1n[nH]c2c(=O)[nH]c(Cc3ccccc3OCCN3CCOCC3)nc12	36424810	DQQIKKSUASWOMX-UHFFFAOYSA-N	397.479	2.071	0	1	GEAF	
CC(C)(Oc1ccccc1)C(=O)NC1[C@H]2CC3C[C@H]1CC(S(N)(=O)=O)(C3)C2	101102446	RJFGXRMIXRFUOJ-AXXLOQQUSA-N	392.521	2.196	0	1	GEAF	
COCCCN1C(=O)C(=O)[C@@H](C(=O)c2ccccc2)[C@H]1c1ccc(O)c(OC)c1	169687623	XUWYUDMXESFEHT-RTBURBONSA-N	397.427	2.389	0	1	GEAF	
CC(C)C[C@H](NC(=O)c1ccc([C@H]2CCOC2)c(OCC2CC2)n1)C(N)=O	207731727	IMMUFOLFKYAARW-YOEHRIQHSA-N	375.469	2.004	0	1	GEAF	
CN(C)S(=O)(=O)c1ccc2nc([C@H](N)Cc3ccc(O)c(Cl)c3)[nH]c2c1	587052014	JUGWJWLOFDAXKM-CYBMUJFWSA-N	394.884	2.415	0	1	GEAF	
CNC(=O)[C@@H]1C[C@@H]1c1nc2c(I)cnc(Cl)c2[nH]1	587236762	ZFPCLBJJKCZGPR-CRCLSJGQSA-N	376.585	2.065	0	1	GEAF	
O=C([C@H]1CCCO1)N1CCC2(CC1)N[C@@H](C(=O)C(F)(F)F)Cc1ccccc12	962774907	YLSCZAAIVXIGRB-HZPDHXFCSA-N	396.409	2.329	0	1	GEAF	
CN(C)C(=O)c1ccc2c(c1)[C@]1(CCN3C(=O)c4ccccc4N[C@@H]31)NCC2	962936686	PLEABMQAOACBTF-VXKWHMMOSA-N	376.460	2.027	0	1	GEAF	
O=C1C[C@@](O)(C(F)(F)F)c2c(n[nH]c2C2CCN(c3nccs3)CC2)N1	1857572164	HFJIIUHQMURANG-AWEZNQCLSA-N	387.387	2.342	0	1	GEAF	
COc1ccc([C@@H]2[C@@H](CO)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1O	1857655140	JJGIUCCUMYQUIO-FZKQIMNGSA-N	389.404	2.123	0	1	GEAF	
CO[C@@H]1C[C@@]2(OC)O[C@@]1(C)C[C@H](OC(=O)C(C)C)[C@@H]1CC(=O)O[C@H]1C=C2C	2356288097	WDVVORIJANIPCL-NOVNJIRXSA-N	382.453	2.373	0	1	GEAF	
COc1cc([C@@H]2c3cc(O)c(OC)c(OC)c3C[C@@H](CO)[C@H]2CO)ccc1O	2356504367	OBUSAZWHMNFNLX-IOHHAYIISA-N	390.432	2.029	0	1	GEAF	
COc1cc([C@@H]2Oc3cc4occc(=O)c4cc3O[C@H]2CO)cc(OC)c1O	2356578892	KIALIUIIYHDOKW-ICSRJNTNSA-N	386.356	2.389	0	1	GEAF	
CC[C@H](C)[C@]1(O)NC(=O)[C@H](Cc2ccccc2)n2c1nc1c(c2=O)C=CC=CO1	2356733370	QSTWWSSMFYPLHS-ICSGCJEQSA-N	393.443	2.267	0	1	GEAF	
C1=CC(c2noc([C@H]3CCCN3Cc3ccncc3)n2)=C[C](N2CCOCC2)N1	2356852379	BHHYUHRQEPOITK-GOSISDBHSA-N	393.471	2.124	0	1	GEAF	
O=C(COC(=O)C12C[C@@H]3C[C@@H](CC(Br)(C3)C1)C2)N1CCOCC1	12582974	FECMEJDSPBLHBW-ZPVISIIKSA-N	386.286	2.122	0	1	GEAF	
O=C(O)C[C@H](NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1)C(=O)O	40937041	BGDXBFDCKRFEBS-INIZCTEOSA-N	395.371	2.078	0	1	GEAF	
COc1cc(S(=O)(=O)N2CCCCC2)cc(C(=O)NCc2ccco2)c1O	72106382	LDZTXRQOSQYHCV-UHFFFAOYSA-N	394.449	2.098	0	1	GEAF	
CCCNC(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2CC2CCCCC2)O1	95886486	LQDIADHJFKFRSI-ZGXWSNOMSA-N	382.545	2.092	0	1	GEAF	
O=C(O)[C@H]1CC[C@@H](N2C(=O)CC(=O)N(CCc3cccc(Cl)c3)C2=O)C1	101678131	AIPRKMQHUFVEPR-GXTWGEPZSA-N	378.812	2.317	0	1	GEAF	
Cn1c(=O)c2c(nc3n2CCCN3c2cc(Cl)cc(Cl)c2)n(C)c1=O	103249937	WRPMRWOBRNCHOJ-UHFFFAOYSA-N	380.235	2.282	0	1	GEAF	
O=c1nc(OC[C@H]2CCCO2)cc2n1CCc1cc(-c3cncnc3)ccc1-2	209711178	OAJFAAAIXDPCOZ-QGZVFWFLSA-N	376.416	2.481	0	1	GEAF	
COC(=O)c1ccnc2[nH]c(-c3cncc(I)c3)nc12	587184226	FWQADHRLHONCJT-UHFFFAOYSA-N	380.145	2.411	0	1	GEAF	
Cc1c2c(nn1C)[C@@H](c1ccc3c(c1)c(C=O)c(Cl)n3C)N[C@@H](C(=O)O)C2	962720106	ZATBISVHRFOOJG-GDBMZVCRSA-N	386.839	2.374	0	1	GEAF	
Cc1ccnc2c1CCN[C@@]21C=C(CN2CCc3ccccc3C2)OCC1=O	963075248	RPWPDNWRTIZPKP-HSZRJFAPSA-N	375.472	2.273	0	1	GEAF	
COCCOc1n[nH]c2cc(NC(=O)N[C@@H](c3ccccc3)[C@H](C)O)ncc12	1772644518	GBAJIKZKWATEPA-YVEFUNNKSA-N	385.424	2.227	0	1	GEAF	
NS(=O)(=O)c1ccc(-n2ncc(NCc3ccccc3)c(Cl)c2=O)cc1	1857605890	OUJUAIANBYBSLD-UHFFFAOYSA-N	390.852	2.145	0	1	GEAF	
COc1ccc2nc(CO[C@@H]3CN(C4CCN(C(C)=O)CC4)C[C@@H]3F)[nH]c2c1	2356318130	TUVPYMCJCVCFHQ-QFBILLFUSA-N	390.459	2.121	0	1	GEAF	
O=C(c1ccc(C(F)(F)F)cc1)N1CCN2C(=O)N(C3CCOCC3)C[C@@H]2C1	2356485526	JRYDHOXUIHRLKR-INIZCTEOSA-N	397.397	2.446	0	1	GEAF	
OCCn1cnc2c(NCc3cccc(I)c3)ncnc21	12405854	DNQAXYGECDSJRS-UHFFFAOYSA-N	395.204	2.035	0	1	GEAF	
CCCCCC[P@](=O)(O)O[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)O	26184048	MUJGFUBBTLCBOR-GJZGRUSLSA-N	392.433	2.342	0	1	GEAF	
CC(=O)Oc1ccccc1C(=O)OCOC(=O)CCCCCCO[N+](=O)[O-]	43076776	NQTXQJQLNCNEPB-UHFFFAOYSA-N	383.353	2.428	0	1	GEAF	
Cc1cc(S(N)(=O)=O)ccc1NC(=O)c1cc(NC2CCCCC2)ncn1	49111873	UUZYCNGFSOOOSO-UHFFFAOYSA-N	389.481	2.429	0	1	GEAF	
C[C@@H]1CN(c2ccc(-c3cc4ncn(C)c(=O)c4c(NC4CC4)n3)cn2)CCO1	115624646	BRHYVHRVSPZDHG-CYBMUJFWSA-N	392.463	2.190	0	1	GEAF	
Cc1ccc(-n2nccn2)c(C(=O)NCCn2ccc(-c3ccc(F)cn3)n2)c1	143654751	NAHUIASVYYTMTJ-UHFFFAOYSA-N	391.410	2.403	0	1	GEAF	
COC(=O)[C@@]12C[C@H]3C[C@H]([C@@H](C)O)[C@@H]1N(CCc1c2[nH]c2ccc(OC)cc12)C3	146729183	OYMQKBZMKFJPMH-MDIKWQLESA-N	384.476	2.235	0	1	GEAF	
NC(=O)c1c(NC(=O)Cn2cc(CO)c(C(F)(F)F)n2)sc2ccccc12	473124857	XMADOJROMJZKKC-UHFFFAOYSA-N	398.366	2.347	0	1	GEAF	
COc1cc2c3c(c1)O[C@]1(CCN(C(=O)C(F)(F)F)/C1=C\N(C)C)[C@@H](C2)C3=O	587422168	SBRATXSPICAVPR-NGJKJBEVSA-N	396.365	2.379	0	1	GEAF	
CCC(=O)N1[C@H](C(=O)NCc2ccccc2F)CSC12CCN(C)CC2	6943607	BNYOIZOTXRBOCU-INIZCTEOSA-N	379.501	2.218	0	1	GEAF	
COC(=O)c1ccc2[nH]c([S@](=O)Cc3nccc(OC)c3OC)nc2c1	13559436	ONXDCEYKZWLBBI-SANMLTNESA-N	375.406	2.070	0	1	GEAF	
COc1c(N2CC[C@@H](N)C2)c(F)cc2c(=O)c3c(O)nsc3n(C3CC3)c12	34894701	PAGNERNSMOUOJL-MRVPVSSYSA-N	390.440	2.337	0	1	GEAF	
COC(=O)[C@H]1[C@H]2C[C@@H]3c4[nH]c5ccccc5c4CCN3C[C@H]2C[C@@H](O)[C@@H]1OC	35793230	BIJIGLRLIDSMCO-SCMSHUSSSA-N	384.476	2.272	0	1	GEAF	
Cc1nc(C(=O)N[C@H](C)C(=O)N[C@@H](CO)C(C)C)cc2c1[nH]c1ccccc12	38301059	DKPUFUPKZQKGIQ-ACJLOTCBSA-N	382.464	2.276	0	1	GEAF	biogenic
C[C@@H](CN1CCC(n2c(=O)[nH]c3ccccc32)CC1)NC(=O)c1cccnc1	72140958	QRGHCMNQBQJXAK-HNNXBMFYSA-N	379.464	2.180	0	1	GEAF	
Cc1cc2c(cc1Cl)S[C@H](c1c(O)[nH]c(=S)[nH]c1=O)NS2(=O)=O	80847732	KPFFGTGRXDUZJT-LLVKDONJSA-N	391.883	2.183	0	1	GEAF	
COC(=O)[C@@H](Cc1ccc(Cl)cc1)n1c(O)cc(=O)n(C2CCCC2)c1=O	96270098	KXEFJXWXINHWIE-OAHLLOKOSA-N	392.839	2.441	0	1	GEAF	
CCCC(=O)N1CCC(c2cc(C)nn2-c2ccc(S(N)(=O)=O)cc2)CC1	96934849	QOSRAPJRSVWLME-UHFFFAOYSA-N	390.509	2.334	0	1	GEAF	
Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4ccccc4-n4cccn4)C[C@@H]3C2)n1	116822519	RHNDWDDUZXTNJU-QZTJIDSGSA-N	388.475	2.488	0	1	GEAF	
CNCc1cn(S(=O)(=O)c2ccc(C)nc2)c(-c2cccnc2F)c1F	117246704	WWDSXCAHTONQDM-UHFFFAOYSA-N	378.404	2.488	0	1	GEAF	
CC(C)OC(=O)[C@@H]1C(=O)C[C@@](C)(O)[C@@H](C(=O)OC(C)C)[C@@H]1c1cccc(O)c1	169295373	CAFOTFFMGDOWMH-NEYJZJCJSA-N	392.448	2.335	0	1	GEAF	
O=C(Nc1nc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cs1)C1CC1	169304205	XRNXKLUDKJKPSM-UHFFFAOYSA-N	393.490	2.180	0	1	GEAF	
C[C@@H](NC(=O)Nc1cc2[nH]nc(NC(=O)CN(C)C)c2cn1)c1ccccc1	1772587963	GRLZWHXPLAYSRP-GFCCVEGCSA-N	381.440	2.341	0	1	GEAF	
C[C@H](CC(=O)N1CCC(O)(Cn2cnn3cccc3c2=O)CC1)c1ccccc1	1857754232	BXIGMHDBRKSFSG-QGZVFWFLSA-N	394.475	2.043	0	1	GEAF	
C[C@@H]1O[C@H](Oc2ccc(-c3coc4cc(O)ccc4c3=O)cc2)C[C@H](O)[C@@H]1O	2356871842	YLQMKZXPOROVMQ-HYNACKTCSA-N	384.384	2.401	0	1	GEAF	
O=C(Nc1nccs1)c1ccc2sc([C@H]3C[C@H](O)[C@@H](CO)O3)nc2c1	61902976	YOGORZUNZKPIMU-QJPTWQEYSA-N	377.447	2.188	0	3	GEAF	
CC[C@H](C)Sc1ccc([C@H]2N[C@@](C)(C(=O)OC)[C@H]3C(=O)N(C)C(=O)[C@@H]23)cc1	61959631	NQRCLWRXYMNFGB-YRTBQVTPSA-N	390.505	2.384	0	3	GEAF	
CCOC(=O)c1nc2c(O)nc3cc(C(F)(F)F)c(-n4ccnc4)cc3n2n1	13532607	YWKYNUHGGDTCRD-UHFFFAOYSA-N	392.297	2.364	0	1	GEAF	
CCc1c2c(nc3cnccc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC	13740822	GNUNNZVRLSPMRJ-NRFANRHFSA-N	377.400	2.037	0	1	GEAF	
COC(=O)[C@@]1(C)N[C@H](c2ccc(OC)cc2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21	19460623	OMQWKBLGWQPJBD-FBAVSBLXSA-N	394.427	2.077	0	1	GEAF	
CC[C@@H](C)O[C@H]1C(=O)N2C(C(=O)OC(C)(C)C)=C(COC(C)=O)CS[C@H]12	26568156	GEKKKOGMENHPOP-FUEDEBDSSA-N	385.482	2.244	0	1	GEAF	
O=c1nc(-c2c(-c3ccc(F)cc3)ncn2CCCN2CCOCC2)cc[nH]1	26840332	BENXLDSPHLYRPL-UHFFFAOYSA-N	383.427	2.162	0	1	GEAF	
NCc1ccc(N[C@H](C[P@@](=O)(O)[C@@H](N)CCc2ccccc2)C(=O)O)cc1	28652405	SEVVAYQNZXCWLX-QZTJIDSGSA-N	391.408	2.198	0	1	GEAF	
COC(=O)c1sccc1S(=O)(=O)N1CC(=O)Nc2ccc(Cl)cc21	40423130	ASBBCMXAKWCVBS-UHFFFAOYSA-N	386.838	2.336	0	1	GEAF	
COc1cc([C@@H](O)[C@@H]2COC[C@@H]2[C@H](O)c2ccc(O)c(OC)c2)ccc1O	85861312	YHYNYYXJMLXPRQ-RYMBOPBQSA-N	376.405	2.145	0	1	GEAF	
COCCCn1ccc2ncc([C@@H](C)N(C(=O)[C@H]3CNCCO3)C3CC3)cc21	204353056	KGSCPYCUASLWSQ-FOIQADDNSA-N	386.496	2.113	0	1	GEAF	
COC(=O)Cn1cc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nn1	587581197	KSVNBYIVLLCSAK-YLJYHZDGSA-N	395.371	2.034	0	1	GEAF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H]3CN[C@@H](C(=O)O)[C@H]3C2)N1	587790381	CPXIPMZMLLPLKT-BGDGCEOXSA-N	383.261	2.400	0	1	GEAF	
O=C(c1ccc2c(c1)OCO2)N1CCN2C(=O)N(Cc3ccc(F)cc3)C[C@@H]2C1	2356639347	NCISVCXESRTRRF-KRWDZBQOSA-N	397.406	2.317	0	1	GEAF	
O=C(C(=O)N1CCN(C(=O)c2ccc(O)cc2)CC1)c1c[nH]c2ccccc12	3591500	LWIAVZOZLIFDLD-UHFFFAOYSA-N	377.400	2.041	0	1	GEAF	
COc1c(CO)c2c(c(C)c1C(=O)O)Oc1c(C=O)c(O)cc(C)c1C(=O)O2	14613514	VBOHIKVUZOPVIZ-UHFFFAOYSA-N	388.328	2.346	0	1	GEAF	biogenic
O=C1O[C@H](c2ccc3c(c2)OCO3)[C@@H]2C(=O)O[C@H](c3ccc4c(c3)OCO4)[C@@H]12	18279013	APOQDYUENSVQGT-XMTFNYHQSA-N	382.324	2.272	0	1	GEAF	biogenic
COc1cccc(-c2cnnc(N3CCC([C@H](C)N4CCOCC4)CC3)n2)c1	23366660	QATNWJJEQLVLIB-INIZCTEOSA-N	383.496	2.484	0	1	GEAF	
C[C@H]1COc2c(N3CC[C@@H](CN(C)C)C3)c(F)cc3c(=O)c(C(=O)O)cn1c23	26168252	PNZILQZIFUUTGZ-RYUDHWBXSA-N	389.427	2.180	0	1	GEAF	
COc1cc2nc(N3CCC(OC[C@H](C)OC)CC3)nc(N)c2cc1OC	27562315	TYZQTLVLJVDBCB-LBPRGKRZSA-N	376.457	2.250	0	1	GEAF	
C[C@H](C(=O)NC1[C@H]2CC3C[C@@H]1CC(O)(C3)C2)N1CC(Oc2ccccc2F)C1	35087396	XNSQYEZFDGACIR-LZXVWOMZSA-N	388.483	2.333	0	1	GEAF	
CC(C)Oc1cc(-n2cnc3cnc(N[C@@H](C)c4ncc(F)cn4)nc32)[nH]n1	95574729	ORGZROPLWGSXRB-JTQLQIEISA-N	383.391	2.428	0	1	GEAF	
COc1cc(O)c2c(=O)c(C)c(-c3ccc(OS(=O)(=O)O)c(O)c3)oc2c1	95914689	NAGJYYVZDYLMBA-UHFFFAOYSA-N	394.357	2.370	0	1	GEAF	biogenic,in-vitro
O=C(Nc1ccncn1)N1CCN(Cc2ccc3c(c2)OC(F)(F)O3)CC1	200260599	IKKLWYSRDQOURR-UHFFFAOYSA-N	377.351	2.148	0	1	GEAF	
Cc1nnc2c(NC3CCN(C=O)CC3)cc(N(C)Cc3ccccc3)nn12	213532187	XULQBKBXPFGUOG-UHFFFAOYSA-N	379.468	2.102	0	1	GEAF	
CC1(C)[C@@H]2CC=C(CN3CCCn4nc(CNS(C)(=O)=O)cc4C3)[C@H]1C2	219306709	BYFXOUKOICHDJY-CRAIPNDOSA-N	378.542	2.130	0	1	GEAF	
COCC(=O)Cc1nc2ccc(S(=O)(=O)Nc3ccccc3OC)cc2[nH]1	587563500	RNSJUPXYEKVMLV-UHFFFAOYSA-N	389.433	2.130	0	1	GEAF	
CCOC(=O)[C@@]1(c2ccc(OC)cc2)N[C@H](C(=O)O)Cc2ccc(O)c(C)c21	963492956	ULAVOOVSRRLOAC-KKSFZXQISA-N	385.416	2.115	0	1	GEAF	
O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1cccc([C@H]2CCCN2)c1	1772586296	PKWYZZNVHKRIOP-FCHUYYIVSA-N	379.504	2.260	0	1	GEAF	
CCC[C@H]1O[C@H](CC(=O)O)C=C2[C@@]3(O)CC(=O)C[C@]21C(=O)c1c(O)cccc13	2356712767	NUSPYTZPFANSTB-MTMVYVOKSA-N	386.400	2.094	0	1	GEAF	
COc1ccc2c3c([nH]c2c1)[C@@H]1C[C@@H]2[C@H](C[C@H](O)[C@@H](OC)[C@H]2CO)CN1CC3	253978915	YCLAQLTVHNAEEQ-ZRDRQHIKSA-N	386.492	2.100	0	3	GEAF	
CC[C@@H]1C(=O)NCCN1C(=O)c1cc(COc2ccc(OC)cc2Cl)[nH]n1	12317311	YNPNXFYYPMCICC-OAHLLOKOSA-N	392.843	2.001	0	1	GEAF	
O=C1Nc2cc(Cl)ccc2C(=O)N2CCN(C(=O)COc3ccccc3)C[C@H]12	12604967	AAUOMICSTYACBR-QGZVFWFLSA-N	399.834	2.024	0	1	GEAF	biogenic
CS(=O)(=O)c1ccc(-c2cc3c(cc2CN2CCC(O)CC2)OCO3)cc1	13530481	CJBDEEQOJRLVJV-UHFFFAOYSA-N	389.473	2.443	0	1	GEAF	
O=C(NN1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1C=C[C@H]2[C@@H]2C[C@H]12)c1cccc(Br)c1	13635258	IYWDNVOMIGEONH-KRXYVZHUSA-N	387.233	2.147	0	1	GEAF	
COc1cc([C@@H]2[C@H]3C[C@@H](C[C@@]2(O)CC(=O)c2ccccc2)OC3=O)oc(=O)c1	14884341	BRWQQGQVOVWUIT-VVZMZAKNSA-N	384.384	2.072	0	1	GEAF	biogenic
O=C1c2cc3nnn(CCc4cccc(F)c4)c(=O)c3cc2O[C@@H]2CCCN12	72128496	ONBBOILQQRZSPM-GOSISDBHSA-N	380.379	2.128	0	1	GEAF	
COc1cc2oc3c(O)nc(CN4CC[C@H](O)C4)nc3c2cc1Br	84652964	NHINLCTWUHCISC-QMMMGPOBSA-N	394.225	2.419	0	1	GEAF	
C/C=C/c1ccc([C@@H]2[C@@H](CO)N(C(C)=O)C23CN(C(=O)c2ccncc2)C3)cc1	95794656	NCFKBXJLNZSNQV-ZAOFJCOUSA-N	391.471	2.316	0	1	GEAF	
O=C(N[C@H]1CC[C@@H](CCn2cc(C3CCCC3)nn2)O[C@H]1CO)c1cccnc1	95794894	JAHQNXWPFXREPC-BJLQDIEVSA-N	399.495	2.059	0	1	GEAF	
O=C(C1CCC1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4cccnc4)cc3)[C@@H]2C1	95797357	QVDWJLNEJREBMG-VWPQPMDRSA-N	391.471	2.046	0	1	GEAF	
CC(=O)N1CCC[C@@H](c2cccnc2OC2CN(C(=O)c3cc(C)c[nH]3)C2)C1	96168893	MXSYXRSKPCMSAD-MRXNPFEDSA-N	382.464	2.347	0	1	GEAF	
O=C([C@H]1CCCO1)N1CCN(C[C@H](NCc2ccccn2)c2ccccc2)CC1	116235209	PSFYBZOFVANRRZ-FCHUYYIVSA-N	394.519	2.236	0	1	GEAF	
O=c1n(CCc2ccc3ccccc3n2)nc2cccc(N3CCOCC3)n12	147813211	NXJDBNSPAXFNAC-UHFFFAOYSA-N	375.432	2.124	0	1	GEAF	
O=C(c1ccc(F)cc1)N1CCN(c2nn3cnnc3c3ccccc23)CC1	169312432	HTEPOWJZEFDKJU-UHFFFAOYSA-N	376.395	2.379	0	1	GEAF	
CCCCS(=O)(=O)N[C@@H](c1nc2nc(Br)c[nH]c-2n1)C(C)C	586932129	AYEGBJLDHYCLQJ-SNVBAGLBSA-N	390.307	2.484	0	1	GEAF	
O=C(O)C1=C[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C(=O)CO1	587356104	IFANDZYMUIDFCR-XLIONFOSSA-N	384.315	2.197	0	1	GEAF	
COc1cc2c3c(c1)O[C@](CN1C(=O)CCC1=O)(c1ccccc1)[C@@H](C2)C3=O	587435639	HKLGVLAOELFSII-KSFYIVLOSA-N	377.396	2.487	0	1	GEAF	
COc1cc2c(cc1OC)[C@](Cn1cncn1)(C(C)C)NCC21CCOCC1	963182705	ABFQPHIIALCTGO-NRFANRHFSA-N	386.496	2.498	0	1	GEAF	
Cc1ccn(-c2cccc(N(C)C)c2)c(=O)c1N1CCc2nc(N)ncc2C1	1772578995	OEDFJZJYNPPMGO-UHFFFAOYSA-N	376.464	2.147	0	1	GEAF	
Cc1nc(C)c(C(=O)Nc2nc(CN3C[C@H](C)O[C@H](C)C3)cs2)c(O)n1	1857653154	DELZOVNUDDVGQB-AOOOYVTPSA-N	377.470	2.117	0	1	GEAF	
CC(C)=CCCC(C)=CCn1cc(CC(P(=O)(O)O)P(=O)(O)O)nn1	1857742053	QDXMBMMHDIWQDT-UHFFFAOYSA-N	393.317	2.195	0	1	GEAF	
COc1cccc2c1N1C(=O)C=C3OCC=C4CN(C)CC[C@@]25C(=O)C[C@H]4[C@H]3[C@@H]15	2356413437	BWCDHPDWBTWWLO-JYPBDDMTSA-N	392.455	2.043	0	1	GEAF	
O=C1O[C@H](c2ccc3c(c2)OCO3)[C@H]2[C@H]1[C@@H](c1ccc3c(c1)OCO3)O[C@H]2O	2356447963	KRRNYMLYOLMYMS-RHQZKXFESA-N	384.340	2.064	0	1	GEAF	
OC[C@@H]1[C@H](O)C[C@H](NCc2ccc(F)c(F)c2)[C@@H]1Cc1ccnc(C2CC2)n1	2356478389	CEBZWGVYNHFRPH-GIYDNNGJSA-N	389.446	2.322	0	1	GEAF	
CCCS(=O)(=O)NC(=O)[C@@]1(C)CCCN(C(=O)CCc2cccs2)C1	61926322	VJYHTCTUUWWLNL-KRWDZBQOSA-N	386.539	2.165	0	3	GEAF	
Nc1nc(Cl)c(N)c(NC[C@]2(CO)CC[C@H](OCc3ccccc3)C2)n1	1645760	XOWUNSSKRQVANA-UGSOOPFHSA-N	377.876	2.454	0	1	GEAF	
O=C(NCCN1CCOCC1)c1nc(-c2cccc(F)c2)n2c1CCCCC2	15679090	DYYIWSWGZDOUEB-UHFFFAOYSA-N	386.471	2.478	0	1	GEAF	
CS(=O)(=O)Nc1cc(C(=O)CC[C@H]2C(=O)C3CCN2CC3)ccc1Cl	26377589	SWLGJVSHUXGCTL-HNNXBMFYSA-N	384.885	2.338	0	1	GEAF	
CC(C)n1cc([C@@]2(c3ccc(F)c(-c4cncnc4)c3)N=C(N)N(C)C2=O)cn1	72183223	VGIXLLYAMZATOQ-HXUWFJFHSA-N	393.426	2.090	0	1	GEAF	
COCCN(C[C@@H]1N[C@@H](CO)[C@H]1c1ccc(-c2cccc(F)c2)cc1)C(C)=O	95895147	CTAZZCWMPWUAQF-FKBYEOEOSA-N	386.467	2.404	0	1	GEAF	
CCC(=O)N1[C@H](CNC(=O)COC)[C@H](c2ccc(-c3ccccc3)cc2)[C@@H]1CO	95895664	NZQVWEYIOJOZRO-QTEQDKRBSA-N	396.487	2.182	0	1	GEAF	
Cc1nc(N2C[C@H]3C(=O)N(C)C(=N)N[C@@]3(c3ccccc3)C2)nc(C2CC2)c1F	96173864	QPFLJCORUPCHJG-YCRPNKLZSA-N	394.454	2.130	0	1	GEAF	
CONC(=O)c1ccc(C(=O)N2CCC(c3cccc(CN)c3)CC2)cc1O	142201792	GDBAFZBJPZDNBJ-UHFFFAOYSA-N	383.448	2.162	0	1	GEAF	
O=C1[C@@H]2C=C(I)[C@@H](C[C@@H]2OCCCCO)[C@]12CCCO2	169370869	ZCCAXLPFLIOJJV-UQFNBPPOSA-N	392.233	2.231	0	1	GEAF	
O=C(NC[C@@H]1CCCO1)c1ccc(NC(=O)[C@H]2[C@@H]3C=C[C@H](C3)[C@H]2C(=O)O)cc1	195401025	BHCOCGLYBMEHSY-UDCKQINGSA-N	384.432	2.057	0	1	GEAF	
Cn1c(O[C@H]2CCCN(c3cccc(F)c3)C2)nc(-c2ccncn2)cc1=O	198757612	MEBQODRDOMAEDN-INIZCTEOSA-N	381.411	2.424	0	1	GEAF	
COc1ccc2c(c1)N(CCO)C1=C(C(=O)OC1)[C@@H]2c1ccc(OC)c(OC)c1	299822995	JDOVLOHNVQKABN-HXUWFJFHSA-N	397.427	2.468	0	1	GEAF	
COc1cc(Br)c([C@H](N)c2nc3ccnc(N)c3[nH]2)cc1OC	586975230	KAHKPJUCWKHWCD-LBPRGKRZSA-N	378.230	2.368	0	1	GEAF	
C=C(NC(C)=O)c1nc2ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc2[nH]1	587203374	NAZGHAMIRHUDSF-UHFFFAOYSA-N	386.433	2.479	0	1	GEAF	
CS(=O)(=O)Nc1ccc(-c2nc3cc(NS(C)(=O)=O)ccc3o2)cc1	1772621502	HGDCRMOPVMHNLX-UHFFFAOYSA-N	381.435	2.238	0	1	GEAF	
O[C@@H]1[C@H](NCc2ccccc2)[C@H]2CO[C@@H](O2)[C@H]1n1cc(-c2ccccc2)cn1	2356319881	OTDDEKUWJXSDEK-BDHVOXNPSA-N	377.444	2.366	0	1	GEAF	
COc1ccc([C@H](O)[C@@H]2CO[C@H](c3ccc4c(c3)OCO4)[C@@H]2CO)cc1OC	2356519508	FJXKIGDEXMHOCZ-SORVUCRQSA-N	388.416	2.462	0	1	GEAF	
COc1cc(CCC(=O)C[C@@H](O)CCc2ccc(O)c(OCO)c2)ccc1O	2356620209	JUSRVNCGYITAAO-KRWDZBQOSA-N	390.432	2.321	0	1	GEAF	
CCN(CC)CCCN1CC(=O)N2CCc3c([nH]c4ccccc34)[C@]2(C)C1=O	2099513	NZNAOBRVCLBIHB-JOCHJYFZSA-N	382.508	2.342	0	1	GEAF	biogenic
COc1c(O)ccc(O)c1-c1cc(=O)c2c(O)c(OC)c(O)c(OC)c2o1	15271574	XGJUUNRZFPFMOK-UHFFFAOYSA-N	376.317	2.308	0	1	GEAF	biogenic
COCCNC(=O)C[C@@H]1c2nc(C)sc2C[C@@H]2[C@](C)(CO)[C@@H](O)CC[C@@]12C	33934228	SQDYCVXVAPSBJA-QJJNNQMVSA-N	396.553	2.020	0	1	GEAF	biogenic
NCCC[C@@H](N)C(=O)N[C@@H](C(=O)Nc1ccc2ccccc2c1)c1ccco1	73224383	QVXQAPGOJCQSAG-IEBWSBKVSA-N	380.448	2.295	0	1	GEAF	
CS(=O)(=O)N[C@H]1CC[C@H](Nc2nccc(-c3cnc4ccccn34)n2)CC1	100634097	NXXOMTBHZVIUJY-OKILXGFUSA-N	386.481	2.064	0	1	GEAF	
CCCS(=O)(=O)Nc1cccc(C(=O)c2c[nH]c3ncnc(OC)c23)c1F	113490188	UOAWSIVVNJAGDE-UHFFFAOYSA-N	392.412	2.488	0	1	GEAF	
CNS(=O)(=O)c1ccc(OC(F)(F)F)c(Nc2nc[nH]c3nccc2-3)c1	146127797	LXUQEHALWLNQOH-UHFFFAOYSA-N	387.343	2.460	0	1	GEAF	
NC1=N[C@@]2(CO1)c1cc(-c3cncnc3)ccc1O[C@H](CC1CC1)C21COC1	220721339	MSVXPEWIJQOLDG-NQIIRXRSSA-N	378.432	2.262	0	1	GEAF	
C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc(Br)cnc2[nH]1	586960085	VCFNIMUPHOWVOF-AWEZNQCLSA-N	397.254	2.189	0	1	GEAF	
Nc1cc2nc(-c3ccc4ncc(I)n4c3)[nH]c2cn1	587187875	MFUIABBGLVQERM-UHFFFAOYSA-N	376.161	2.459	0	1	GEAF	
COc1cccc([C@@]2(CC3OCCO3)N[C@H](C(=O)O)Cc3cc(F)ccc32)c1	962905258	DCQQCOJSCAOQSI-GHTZIAJQSA-N	387.407	2.440	0	1	GEAF	
COc1cccc2cc3c(nc12)[C@H](c1ccc(S(N)(=O)=O)cc1F)NCC3	963054546	HYGIVYBVZIPWTR-IBGZPJMESA-N	387.436	2.265	0	1	GEAF	
CNC(=O)C(=O)NCCCC/C=C\CCCCCCCCCc1nn[nH]n1	1857563193	WPXFMWNESIFCEA-VURMDHGXSA-N	378.521	2.452	0	1	GEAF	
CCN(CC)C[C@@H]1CN2CC[C@H]1C[C@H]2CNS(=O)(=O)c1ccc(C)cc1	2356540258	RKCOQACAOFZCOO-OTWHNJEPSA-N	379.570	2.326	0	1	GEAF	
CC[C@@H]1CN2CCC3=c4c(OC)cccc4=NC3=C2C[C@@H]1C(=COC)C(=O)OC	2356838249	LRKSTCBIGUUOED-ZBFHGGJFSA-N	396.487	2.146	0	1	GEAF	
NC(=O)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1cccc(Br)c1	4652694	MLZJBPFHTCNMNT-MLPAPPSSSA-N	389.205	2.434	0	1	GEAF	
CC(=O)NC[C@H]1CN(c2ccc(N3Cc4ccccc4C3=O)c(F)c2)C(=O)O1	27422739	DWHPTVIBRDITHN-HNNXBMFYSA-N	383.379	2.447	0	1	GEAF	
O=C(Nc1ccc(N2CCOCC2)cn1)c1nnc(Nc2ccccc2F)o1	84705893	UUHAXNMQKOBKMS-UHFFFAOYSA-N	384.371	2.436	0	1	GEAF	
Cc1cc(N2CCOC2=O)ncc1-c1ccc2c(c1)OC[C@H]1[C@H](CO)OC(=O)N21	95585841	WTLQOWLNEGXACK-RDJZCZTQSA-N	397.387	2.092	0	1	GEAF	
COc1ccc(Nc2ncnc3c(=N)n(NC(=O)c4ccccc4)cnc23)cc1	102068080	JCJBYAPRKJLTFR-UHFFFAOYSA-N	387.403	2.442	0	1	GEAF	
COCc1ncn(C2=NCC(=O)N3CCc4c(ccc(F)c4C4CC4)C3=C2)n1	149241624	FYMJCZZKTSYDNR-UHFFFAOYSA-N	381.411	2.127	0	1	GEAF	
COc1cncc([C@@H](NC(=O)c2scc3c2OCCO3)C2CC(O)C2)c1	230585574	KOSDWDTYWLFXGN-QHAMSDLMSA-N	376.434	2.165	0	1	GEAF	
CCCC[C@H](N[C@H](CC(C)C)C(=O)N[C@H](Cc1ccccc1)C(=O)O)C(=O)O	253635227	SFSPBYKWGITRFL-RCCFBDPRSA-N	392.496	2.446	0	1	GEAF	
CC(C)=CCOc1ccc(C2=C(CC(C)C)C(=O)N(CC(=O)C(N)=O)C2=O)cc1	473240691	LCFQQPHAVYYWKP-UHFFFAOYSA-N	398.459	2.255	0	1	GEAF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H]3CN[C@@H](C(=O)O)[C@H]3C2)N1	587795300	OFMDKCFZQMYUCZ-BGDGCEOXSA-N	383.261	2.400	0	1	GEAF	
CCOc1cc(-c2cccc(F)c2)nn1-c1ccnc2c1c(=O)n(C)c(=O)n2C	587871670	BANBITOOAWHDMI-UHFFFAOYSA-N	395.394	2.023	0	1	GEAF	
C[C@@]1(F)CCN(c2nc(-c3cnc(N)c(F)c3)cc(N3C[C@@H]4C[C@H]3CO4)n2)C1	653765546	PYFZRCPCUIVIOU-WTOJCKNJSA-N	388.422	2.176	0	1	GEAF	
O=C([C@@H]1CCCO1)N1CCC2(CC1)N[C@@H](C(=O)C(F)(F)F)Cc1ccccc12	962774900	YLSCZAAIVXIGRB-CVEARBPZSA-N	396.409	2.329	0	1	GEAF	
CNc1nc(Br)c[nH]c1=NS(=O)(=O)c1ccc(Cl)s1	1857746698	HOWYNCQAMVQWHS-UHFFFAOYSA-N	383.680	2.218	0	1	GEAF	
O=C(c1cccc(F)c1)N1CCN2C(=O)N(CCc3cccs3)C(=O)[C@H]2C1	5434116	WRYLVRWWIUAYLJ-MRXNPFEDSA-N	387.436	2.219	0	1	GEAF	biogenic
COc1cc(C[C@@H](CO)[C@H](CO)Cc2ccc(OC)c(OC)c2)ccc1O	6484655	QOOLUDONRDSQAX-IRXDYDNUSA-N	376.449	2.420	0	1	GEAF	biogenic,in-vitro
CN(Cc1ccccc1)C(=O)Cc1ccc(N2C(N)=NC(N)=NC2(C)C)cc1	16955421	HQUQJZWFBPGNRL-UHFFFAOYSA-N	378.480	2.073	0	1	GEAF	
CN1C(=O)c2ccccc2[C@@H](C(=O)NCCN2CCOCC2)[C@@H]1c1cccs1	20115973	KFBICLAPAOMJAY-MOPGFXCFSA-N	399.516	2.107	0	1	GEAF	
C[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N1Cc2ccccc2[C@@H]1C(=O)O	29566084	CUKQMSYVQGXHKG-ZOCIIQOWSA-N	396.443	2.219	0	1	GEAF	
C/C=C(\C)CN1C[C@@H](NC(=O)c2ccc(O)c(Cl)c2)C[C@H]1C(=O)NCC	95502318	JOBXNHIIEOZVPS-KSZLDORMSA-N	379.888	2.321	0	1	GEAF	
Cc1nc(N)nc2c1cc(-c1cnc3[nH]ccc3c1)c(=O)n2C[C@H]1CCOC1	117698393	OVFRALSDTFZPRQ-GFCCVEGCSA-N	376.420	2.262	0	1	GEAF	
Cn1cc(-c2cc3c(cn2)cnn3-c2cccc([C@]3(O)CCCNCC3)n2)cn1	211013843	DIMWPKIMCQOTSC-NRFANRHFSA-N	389.463	2.177	0	1	GEAF	
COc1cc2c3c(c1)O[C@](c1cccc(Br)c1)(C(O)O)[C@@H](C2)C3=O	587416892	HMSMARRFQKZWGT-UGSOOPFHSA-N	391.217	2.411	0	1	GEAF	
COC(=O)C[C@]1(C(OC)OC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	587598552	YAVDEJDNQLWCSY-UZLBHIALSA-N	388.372	2.275	0	1	GEAF	
COc1ccc(CCCc2nc3ccc(S(N)(=O)=O)cc3[nH]2)c(OC)c1	587929464	URMMLWIJOCTKRM-UHFFFAOYSA-N	375.450	2.403	0	1	GEAF	
Cc1cn2cc(NC(=O)c3ccc(N4CCN[C@@H](C)C4)c(F)c3F)ncc2n1	1772625385	LYOXXWWGQVUGJN-NSHDSACASA-N	386.406	2.366	0	1	GEAF	
O=C(NCCCN1CCN(c2ccc(F)cc2)CC1)[C@@H]1COc2ccccc2O1	4734344	MQPUBCCGJAQITI-NRFANRHFSA-N	399.466	2.294	0	1	GEAF	
COC(=O)c1c(C)cc(OC(=O)c2c(C)cc(O)c(C(=O)O)c2O)c(C)c1O	14714623	SGTLSSHVSOODSL-UHFFFAOYSA-N	390.344	2.433	0	1	GEAF	biogenic
CC1=NN(c2ccc(OCCCC[C@@H](CO[N+](=O)[O-])O[N+](=O)[O-])cc2)C(=O)C1	40954007	DWRNWTPJMDDAFV-HNNXBMFYSA-N	396.356	2.134	0	1	GEAF	
CCCc1ccc(Cc2ccccc2O[C@@H]2C[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1	72142520	SXEBWNXCGXKJLI-FXILAVBZSA-N	386.488	2.072	0	1	GEAF	
Cc1ccccc1-c1nc(C(=O)N[C@@H](C(=O)N2CCCNCC2)C(C)C)co1	82070165	QLEXJRBIQUQCBM-GOSISDBHSA-N	384.480	2.226	0	1	GEAF	
CC(C)[C@H](NC(=O)c1csc(Nc2ccccc2)n1)C(=O)N1CCNCC1	82082465	IZMRMZOILOOAJS-INIZCTEOSA-N	387.509	2.073	0	1	GEAF	
CCCNC(=O)N1[C@@H](CO)[C@@H](c2ccccc2)[C@@H]1CNC(=O)c1ccccc1	95895329	BDBCNCHRSQLNJW-UFYCRDLUSA-N	381.476	2.365	0	1	GEAF	
O=C(O)C[C@@H]1C[C@@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@@H]2[C@@H](CO)O1	95899391	NDCVSESZJQEXEJ-KOJWFEOWSA-N	390.436	2.220	0	1	GEAF	
CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccccn1	100073729	ZPVPYCVHNDXDMK-CYBMUJFWSA-N	394.431	2.392	0	1	GEAF	
CC(=O)O[C@@H](C)C(=O)Nc1cccc(-c2n[nH]c3ccc(-c4nn[nH]n4)cc23)c1	164800534	KMHOJMLEGFNGPD-JTQLQIEISA-N	391.391	2.300	0	1	GEAF	
CN1C[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2[C@@]12C(=O)Nc1ccc(Cl)cc12	195448776	DILGOMWLIDDFQA-PSGMQZRDSA-N	381.819	2.239	0	1	GEAF	
O=C(NC[C@@H](O)CN1CCc2ccccc2C1)c1cccc(N[C@@H]2CCOC2)c1	217051477	BLUQQDAYDFHJCP-FGZHOGPDSA-N	395.503	2.036	0	1	GEAF	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCN(C(=O)C(F)(F)F)/C1=C\N(C)C)O2	587381391	HWPYSHAMOQZSSH-DZXKJOIRSA-N	383.370	2.479	0	1	GEAF	
CCOC(=O)[C@H]1Cc2cc(C)ncc2[C@@]12N[C@H](C(=O)O)Cc1cc(F)ccc12	962897819	LJVIHFBXFMXZRY-MMOPVJDHSA-N	384.407	2.107	0	1	GEAF	
CCN1C(=O)c2cccc3c(S(=O)(=O)N4CCC[C@@H]4C(=O)OC)ccc1c23	1857747524	PVJZWLWYUXJQED-OAHLLOKOSA-N	388.445	2.146	0	1	GEAF	
COC(=O)[C@H]1[C@H]2CN3Cc4[nH]c5ccc(OC)cc5c4C[C@H]3C[C@H]2CC[C@H]1O	2356742295	IJSBYCUQBXKLMJ-AEKJVBLQSA-N	384.476	2.483	0	1	GEAF	
CCOC(=O)C1=NO[C@](C(=O)NC2CCCC2)(C(=O)c2ccc(OC)cc2)C1	203474090	LWRWKXCKSKUIIW-FQEVSTJZSA-N	388.420	2.015	0	3	GEAF	
O=C(N[C@@H]1CO[C@@H]2[C@@H](Nc3nccc(-c4ccco4)n3)CO[C@@H]12)C1CCCCC1	25432226	AUIKHVJYXPWRBI-KCITZHQASA-N	398.463	2.380	0	1	GEAF	biogenic
C[C@H](N[C@@H](CCc1cccc2ccccc12)C(=O)O)C(=O)N1CCC[C@@H]1C(=O)O	26852096	CTHFSMGTKMPAKM-ZOCIIQOWSA-N	398.459	2.279	0	1	GEAF	
COCCNC(=O)C[C@@H]1c2nc(C)sc2C[C@H]2[C@]1(C)CC[C@H](O)[C@@]2(C)CO	33934226	SQDYCVXVAPSBJA-NPACWLSJSA-N	396.553	2.020	0	1	GEAF	biogenic
COC[C@H](Cc1ccccc1)Nc1nc(N2CC[C@H](NC(C)=O)C2)ncc1C	82204302	VMLSSCSMBCRJLH-OALUTQOASA-N	383.496	2.169	0	1	GEAF	
C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc(Br)ncc2[nH]1	586958355	IVYIZCXFSSJFNU-AWEZNQCLSA-N	397.254	2.189	0	1	GEAF	
COc1ccc2c(c1)N(C(C)=O)[C@@H]1[C@H]3[C@@H]4C[C@H]5N(CC[C@]251)CC4=CO[C@H]3OC	2356680484	KISKJMKSADKAMN-CBXWTGOHSA-N	382.460	2.279	0	1	GEAF	
Cc1ccc(NC(=O)C2CCN(c3c(N4CCCC4)c(=O)c3=O)CC2)cc1C	6816889	RDQIIXFAYYNHKP-UHFFFAOYSA-N	381.476	2.355	0	3	GEAF	
CCc1ccccc1-n1c(SCC(=O)N2CCCC2)nc2n[nH]cc2c1=O	13523829	UAQRPBISPKSLRB-UHFFFAOYSA-N	383.477	2.386	0	3	GEAF	
C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(=O)NCCC)[C@H]2CNC(=O)C2CC2)cc1	95894826	NJQPGASMIDWZCK-MHVMZJDXSA-N	385.508	2.494	0	1	GEAF	
CCOC(=O)C1CCN(C(=O)Cn2ncc3c4ccccc4nc-3c2O)CC1	101785568	DTYRDFYHEGRYIY-UHFFFAOYSA-N	382.420	2.043	0	1	GEAF	
Cc1cc(O)c2c3c1[C@@H](O)C=C1C(C)(C)C(=O)c4c(O)cc(O)c(c4[C@@]13O)C2=O	238774283	OKCBDYXNYLOVEE-KPWVOAKYSA-N	394.379	2.088	0	1	GEAF	
COc1ccc(NS(=O)(=O)c2ccc3nc(CC4OCCO4)[nH]c3c2)cc1	586909233	VJQLJGIIEWHPAB-UHFFFAOYSA-N	389.433	2.288	0	1	GEAF	
CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2ccc(S(=O)(=O)O)cc2[nH]1	587194592	WBWQDLXLEOWRTH-CYBMUJFWSA-N	398.485	2.327	0	1	GEAF	
O=C(OCc1ccccc1)N1CCO[C@@H](c2ccc3c(O)nc(O)nc3n2)C1	587559292	WVAVWZIKDBLOKG-OAHLLOKOSA-N	382.376	2.146	0	1	GEAF	
O=C([C@H]1CCCO1)N1CCC2(CC1)N[C@H](C(=O)C(F)(F)F)Cc1ccccc12	962774911	YLSCZAAIVXIGRB-JKSUJKDBSA-N	396.409	2.329	0	1	GEAF	
CS(=O)(=O)c1cccc([C@H]2N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)c1	963228115	NBJBAXHLWHOZJQ-RTBURBONSA-N	382.441	2.327	0	1	GEAF	
N=C(N)NCCC[C@H](N)C(=O)NC(CCc1ccccc1)CCc1ccccc1	1857551955	BNFIBPGANWKJHV-NRFANRHFSA-N	395.551	2.327	0	1	GEAF	
Cc1nccc(C[C@H]2[C@@H](CO)[C@@H](O)C[C@H]2NCc2ccccc2C(F)(F)F)n1	2356388049	OVBHAZDRFJSHBJ-ISARSNTHSA-N	395.425	2.494	0	1	GEAF	
C[C@H](OC(=O)C=Cc1ccc(O)cc1)[C@@H]1CC[C@H]([C@@H](O)[C@@H]2CC=CC(=O)O2)O1	2356767617	DEEHWRGXKJRSMV-VEPAJOOPSA-N	388.416	2.117	0	1	GEAF	
O=C(NCc1cccs1)[C@H]1[C@H]2C=C[C@]3(CN(Cc4cccs4)C(=O)[C@H]13)O2	2496450	DXCOMXHKAVHGJW-PASDCYSWSA-N	386.498	2.408	0	1	GEAF	
COc1ccc([C@@]2(O)c3cc4c(cc3C(=O)[C@]2(C)C(C)=O)OCO4)cc1OC	13306235	MSTPUIOMVZYEKG-LEWJYISDSA-N	384.384	2.460	0	1	GEAF	biogenic
O=C(CCCOc1ccc2nc3[nH]c(=O)[nH]c3cc2c1)NCCN1CCCCC1	13725946	DBSIFWOJERQDAV-UHFFFAOYSA-N	397.479	2.166	0	1	GEAF	
NC(=O)COc1ccccc1CNC[C@@H](O)c1cc(Br)cs1	14966933	QZUPAPSTAHZYQS-GFCCVEGCSA-N	385.283	2.198	0	1	GEAF	
CC(C)CCNC(=N)c1ccc(C2=NO[C@@H](CC(=O)NCCC(=O)O)C2)cc1	26291239	GIHKBIMOSIUBDF-MRXNPFEDSA-N	388.468	2.122	0	1	GEAF	
CCOC(=O)CN(CC(F)(F)F)C1=C[C@H]2C(C(F)(F)F)=CC(=O)N[C@H]2C=C1	28821702	KAMLTZGDMAYCDB-JQWIXIFHSA-N	398.303	2.471	0	1	GEAF	
CC(=O)O[C@@H]1CC[C@H](C)O[C@@]12OCc1c(cc(O)c(C)c1O)[C@H]2OC(C)=O	31166501	PLVLDRIHJAEAJS-GQYSYLFMSA-N	380.393	2.368	0	1	GEAF	biogenic
C[C@H]1CN(c2c(F)cc3c(=O)c(C(=O)O)cn([C@H]4C[C@H]4F)c3c2F)CCN1	58507428	ZKANFWGDCSTQRW-KDDOJWQBSA-N	381.354	2.059	0	1	GEAF	
CC(=O)N(C)C[C@@H]1Oc2ccc(NC(=O)NC(C)C)cc2C(=O)N(C)C[C@H]1C	95661288	PEIHOODXEGGKNI-ACJLOTCBSA-N	390.484	2.164	0	1	GEAF	
CNC[C@@H]1Oc2ncc(-c3ccc(C)cc3)cc2C(=O)N([C@@H](C)CO)C[C@@H]1C	95709564	JKHLNYMUPUVSIB-FTRWYGJKSA-N	383.492	2.497	0	1	GEAF	
CC1=N[C@@]2(O)c3ccccc3C(=O)[C@@]2(O)/C1=C(\O)OCCOc1ccccc1	103935024	JMRKCJPKRQWYDT-KUIMBALTSA-N	381.384	2.099	0	1	GEAF	
COc1ccc2c(c1)[C@]1(N=C(N)N(C)C1=O)c1cc(-c3cncnc3)ccc1O2	146093176	AWBMWDZEKXHQHX-OAQYLSRUSA-N	387.399	2.288	0	1	GEAF	
NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCN1C(=O)[C@H]1CNc2ccccc21	209414253	SWAURKKDQDEGLU-HKUYNNGSSA-N	398.894	2.225	0	1	GEAF	
Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3c[nH]c(=N)[nH]c-3n2)cc1	586950340	UTTHYVBHIYJNDI-UHFFFAOYSA-N	380.433	2.493	0	1	GEAF	
C[C@H](OC(=O)/C=C/c1ccc(O)cc1)[C@@H]1CC[C@H]([C@H](O)[C@H]2CC=CC(=O)O2)O1	1772490951	DEEHWRGXKJRSMV-WMOYMDCYSA-N	388.416	2.117	0	1	GEAF	
CN1[C@@H]2COC[C@H]1C[C@@H](NC(=O)c1cn(-c3ccccn3)c3ncc(F)cc13)C2	1772604692	SCBSJBTUKGFUSO-PHZGNYQRSA-N	395.438	2.151	0	1	GEAF	
O=S(=O)(CCN1CCCCC1)N1CCc2nc(O)c3ccccc3c2C1	13536365	NRTSRHOHUNUCTH-UHFFFAOYSA-N	375.494	2.114	0	1	GEAF	
Cc1cc(N)nc(C[C@H]2CNC[C@H]2N(C)CCNCc2ccc(Cl)cc2)c1	40919204	PDIFIRUKOSADNL-FXAWDEMLSA-N	387.959	2.478	0	1	GEAF	
CC[C@H](N)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)Nc1cccc2ccccc12)C(C)C	64708220	JZDVCAVSUXJVOM-FNHZYXHNSA-N	398.507	2.161	0	1	GEAF	
CC[C@]12CC(C(=O)OC)=C3Nc4cc(OC)ccc4[C@@]34CCN(C[C@H]3O[C@H]31)[C@H]42	85511410	YKTXUUJZENEUGL-GKADJBRLSA-N	382.460	2.441	0	1	GEAF	biogenic,in-vitro
COCC(=O)N1[C@H](CO)[C@H]2c3ccccc3N(C(=O)Nc3ccccc3F)C[C@H]21	95893590	GNLKHVNMWWCHSH-GGPKGHCWSA-N	399.422	2.180	0	1	GEAF	
CC(C)CCN1C(=O)[C@@H](C2=NS(=O)(=O)c3ccccc3N2)C(=O)[C@@H]1C(C)C	137843261	OBBFXLGYWJLWCI-CVEARBPZSA-N	391.493	2.298	0	1	GEAF	
NS(=O)(=O)c1ccccc1NS(=O)(=O)c1cccc(-c2ccoc2)c1	148114369	NSLHRYXEGZHKLF-UHFFFAOYSA-N	378.431	2.395	0	1	GEAF	
CC(C)NC(=O)c1cnn2ccc(N3C[C@@H](O)C[C@@H]3c3cccc(F)c3)nc12	169704282	VEFAIJAFTRTKSA-DOTOQJQBSA-N	383.427	2.319	0	1	GEAF	
Cc1ccc(C(=O)N2[C@H]3CC[C@H]2[C@@H](COc2ccccn2)C3)c(-n2nccn2)n1	473162864	VVXKPCFDPQZZBZ-RYRKJORJSA-N	390.447	2.438	0	1	GEAF	
Cc1cc(-n2c(O)ccc2OCC[C@H](N)C(=O)O)nn1Cc1ccccc1F	587945320	LVOFNGQTOFHTGL-HNNXBMFYSA-N	388.399	2.056	0	1	GEAF	
CS(=O)(=O)N1CCC(C[C@H](O)c2cncnc2Nc2ccc(F)cc2)CC1	1772578415	NEGPECKYOMCCBM-KRWDZBQOSA-N	394.472	2.454	0	1	GEAF	
C[C@@H]1CN(Cc2ccco2)C[C@H]1c1nc(=O)c2cnc(C3CCOCC3)n2[nH]1	1772623029	STGSJKIOOHTCDY-CZUORRHYSA-N	383.452	2.140	0	1	GEAF	
CCN(CC)C(=O)C[C@@H]1c2[nH]c(=N)sc2C[C@@H]2[C@](C)(CO)[C@@H](O)CC[C@@]12C	2356833995	KKVNWAJFXNUXBP-PFOODKHJSA-N	395.569	2.230	0	1	GEAF	
Cc1ccccc1NC(=O)Cn1nnc(-c2ccc(N3CCOCC3)cc2)n1	878367	PZHLOUOCQPUNQV-UHFFFAOYSA-N	378.436	2.124	0	3	GEAF	
CCOC(=O)c1cn2nc(N3CCOCC3)sc3c(F)c(F)cc(c1=O)c32	5474487	BUXHTYHMOSLAPP-UHFFFAOYSA-N	395.387	2.201	0	3	GEAF	
CC(C)CNC(=O)c1ccc(N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)c(N)c1	4660111	JQBDEGKBIYRKSX-WBVHZDCISA-N	380.492	2.440	0	1	GEAF	
CN1C[C@H]2C[C@@H]1CN2c1c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c2c1F	5851236	ITXLERDKFZOJPO-GHMZBOCLSA-N	375.375	2.206	0	1	GEAF	
C[C@@H]1CN(c2c(F)c(N)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2Cl)CCN1	13649691	RSQVIMLIVULNSI-MRVPVSSYSA-N	394.834	2.207	0	1	GEAF	
CCCCCC[C@H](O)CCCCCCCCC[C@@H](O)[C@H](O)C(N)(CO)CO	27519157	VJJVXJUKURXWQZ-ZCNNSNEGSA-N	391.593	2.233	0	1	GEAF	
CCc1cc(C(C)=O)c(O)cc1OCc1cccc(C(=O)N[C@@H]2COC(=O)C2)n1	28468716	YOYRRBKRPCDENZ-HNNXBMFYSA-N	398.415	2.177	0	1	GEAF	
COc1ccccc1N1CCN(CCCNC(=O)c2ccc3nonc3c2)CC1	40847058	XKKQDWMQMVRHDS-UHFFFAOYSA-N	395.463	2.174	0	1	GEAF	
CN(CCN1CCCCC1)C(=O)N1CCC2(CC1)NC(=O)Cc1ccccc12	40950106	CAFBJJWILSUHGZ-UHFFFAOYSA-N	384.524	2.188	0	1	GEAF	
COc1cc2nc(N(C)CCCNC(=O)[C@@H]3CCCO3)nc(C)c2cc1OC	66078689	TXBBUZOFVGAXEG-INIZCTEOSA-N	388.468	2.077	0	1	GEAF	
OC[C@H]1[C@@H](O)[C@H](O)CCN1CCCCCOCC12CC3CC(CC(C3)C1)C2	84604263	VIZUYNYAIYKSCL-IPJHOPNDSA-N	381.557	2.178	0	1	GEAF	
COC(=O)C1=C[C@@H]2C3=C(NCCCN(C)C)c4ccccc4N(C)C3=N[C@H]2C=C1	103159099	NUJSRCRWUJUDHI-ROUUACIJSA-N	392.503	2.455	0	1	GEAF	
CCN(Cc1ccc(Cl)nc1)C1=C([N+](=O)[O-])[C@@H](OC(C)C)[C@](C)(O)N1C	299848623	MXBKUBZVMVRHIU-WBVHZDCISA-N	384.864	2.450	0	1	GEAF	
O=C(O)c1ccnc(-c2cn(C3CCN(C(=O)Cc4ccccc4)CC3)nn2)c1	473134439	CIUXWFJDEFQEFY-UHFFFAOYSA-N	391.431	2.445	0	1	GEAF	
O=C(O)CNCCNCc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1	587229569	YXWPWONJOMUZMX-UHFFFAOYSA-N	384.280	2.364	0	1	GEAF	
COC(=O)[C@@H]1C[C@@]23C(=O)[C@H]4C[C@H]5N(C[C@H]4C)C[C@@H](CCC4=C2[C@@H]1C[C@H]4O)[C@]53C	653803795	ZSZBYPLAAZHCME-QSAFSYMQSA-N	385.504	2.182	0	1	GEAF	
CCOC(=O)C1=C(N)Oc2n[nH]c(C)c2[C@H]1c1cc(=O)oc2cc(C)ccc12	1772598240	AXSWVJNCZPHRSV-MRXNPFEDSA-N	381.388	2.391	0	1	GEAF	
CNc1cc(=Nc2cc(C)cc(C)c2)[nH]n2c(C(=O)NCC(C)(C)CO)cnc12	1857653213	XXBDRSMEACZWBG-UHFFFAOYSA-N	396.495	2.302	0	1	GEAF	
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3C[C@@H]4CC[C@H](C3)N4C)c(F)c21	13650295	PZLPUVYSLZYCNH-PHIMTYICSA-N	377.391	2.281	0	1	GEAF	
O=C(O)c1ccc(CCN2C(=O)CCN2CC[C@H](O)Cc2ccccc2)cc1	28962046	JVPGVILOMSPMMY-FQEVSTJZSA-N	382.460	2.370	0	1	GEAF	
Nc1cc(O)c(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)cc1Cl	29211066	BDQIKOAVLOGSSK-CQSZACIVSA-N	375.856	2.259	0	1	GEAF	
CCOC(=O)C1=NO[C@@H](c2ccc(N3CCN(C(=O)OCC)CC3)cc2)C1	40407639	JUOQVGOUZUDCGX-QGZVFWFLSA-N	375.425	2.346	0	1	GEAF	
NCC(=O)NC[C@@H]1CCCc2cc(S(=O)(=O)c3cccc(F)c3)ccc21	49111280	YCNMWVYNBBMOHG-AWEZNQCLSA-N	376.453	2.153	0	1	GEAF	
COc1ccccc1C(=O)NCC1(N2CCN(C)CC2)Cc2ccccc2C1	72180360	DHAOKOHKXTXQSE-UHFFFAOYSA-N	379.504	2.210	0	1	GEAF	
O=C1[C@H]2N=NN(Cc3nc(-c4ccc(F)cc4)no3)[C@H]2C(=O)N1c1ccccc1	73197648	QSAVOXWKUOLOAZ-JKSUJKDBSA-N	392.350	2.369	0	1	GEAF	
COc1cc2nc(N3CCC(CCO)CC3)nc(NC[C@H](C)O)c2cc1OC	82129809	KEBAMHXCTHEEAF-ZDUSSCGKSA-N	390.484	2.039	0	1	GEAF	
COc1ccc(NC(=O)[C@H]2CCC(C)=C(C)[C@@H]2C(=O)O)c(N2CCOCC2)n1	95578783	OOPOBXGVKJPEGI-YOEHRIQHSA-N	389.452	2.313	0	1	GEAF	
OC[C@H](O)[C@@H](O)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1	586885651	CTWOGFSOWDLBJX-GOEBONIOSA-N	393.237	2.291	0	1	GEAF	
C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc(Cl)nc(Cl)c2[nH]1	586940266	YLFYWVBNHULRNB-ZCFIWIBFSA-N	375.241	2.038	0	1	GEAF	
N[C@H](N=O)c1ccc2nc(C[C@@H](NC(=O)OCc3ccccc3)C(=O)O)[nH]c2c1	587203010	MKGCBYDUBKPSFZ-NVXWUHKLSA-N	397.391	2.209	0	1	GEAF	
CC(C)(C)OC(=O)N[C@]1(c2nc3c(N)ncnc3[nH]2)[C@H]2CCCO[C@H]2C1(C)C	587238351	CKAZJWDWDMQBMP-DJHSXXLPSA-N	388.472	2.490	0	1	GEAF	
COC(=O)Cn1cccc1[C@H]1c2ccccc2C[C@]2(C3CCC3)C(=O)NC(=O)N12	962672903	UGFSJRLJXFGMCQ-KNQAVFIVSA-N	393.443	2.397	0	1	GEAF	
CCOC(=O)C1=CN(Cc2ccco2)S(=O)(=O)N[C@@H]1c1cccc(OC)c1	61958868	BXKVOSXPVWWYNI-QGZVFWFLSA-N	392.433	2.127	0	3	GEAF	
CN1C(=O)C[C@]2(C1=O)C(=O)N(Cc1ccc(Cl)cc1)C(=O)c1ccccc12	13601179	XNKNUNSZJIMOJP-FQEVSTJZSA-N	382.803	2.149	0	1	GEAF	
Cc1ccc(C(=O)COC(=O)CCN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@@H]3C2=O)[C@@H]2C[C@H]42)cc1	13784953	QRDAQKFOOJDULX-PJOLERSMSA-N	393.439	2.164	0	1	GEAF	
COc1ccc([C@@H](O)CN[C@H](C)CCc2ccc3c(c2)OCO3)cc1C(N)=O	27073434	XYORPFAZUCCVPS-DYVFJYSZSA-N	386.448	2.167	0	1	GEAF	
CC(C)C[C@H](NC(=O)[C@@H](O)c1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O	29555113	SWOZAFWHDLVMNG-WOZUAGRISA-N	396.487	2.025	0	1	GEAF	
COC[C@H](C1CC1)n1cc(Cl)nc(Nc2c(C)nc(OC)nc2OC)c1=O	49070596	XVLGHPRDJHXPCK-LLVKDONJSA-N	395.847	2.353	0	1	GEAF	
CC[C@@H]1Cn2c(c(NCc3ccc(C(=O)OC)cc3)c(=O)n(C(C)C)c2=O)N1	82207926	DSZSQCPXJBSQBA-OAHLLOKOSA-N	386.452	2.194	0	1	GEAF	
C/C=C(\C)C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)NC[C@@H](C)O	82218848	UDWWWQSUAAMSMQ-HYJMGGKXSA-N	388.508	2.069	0	1	GEAF	
CC(C)(C)c1cc(O)nc(SCC(=O)c2cccc(S(N)(=O)=O)c2)n1	96940238	YHQZFYXGMMVVGP-UHFFFAOYSA-N	381.479	2.102	0	1	GEAF	
CC(C)CCOc1cc2nc([C@@H](O)[C@H](O)C(=O)O)[nH]c2cc1Br	586886094	DTPRAZQNCYXQBF-STQMWFEESA-N	387.230	2.229	0	1	GEAF	
C[C@@H]1N[C@H](c2ccccn2)NC(=O)[C@@H]1CC(=O)N(C)[C@H]1CCc2ccccc21	618014048	MCLLQUCQEQWJIN-TVLKCDEOSA-N	378.476	2.340	0	1	GEAF	
N=c1nc2c(ncn2Cc2cn(-c3ccnc4ccccc34)nn2)c(Cl)[nH]1	1857556389	QEHVPVOXMQCUQG-UHFFFAOYSA-N	377.799	2.069	0	1	GEAF	
CC(=O)C[C@@H]1C(=O)[C@@](O)(CO)[C@H]2CC[C@@](C)(C2)[C@H]1C=COC(=O)C=C(C)C	2356449721	VSXXXICJCOSCLJ-YRJWVXGYSA-N	378.465	2.334	0	1	GEAF	
CCCCC[C@H](O)C=C[C@@H]1C(=O)C[C@@H](O)[C@H]1CC=CCCCC(=O)NCCO	2356647977	KEYDJKSQFDUAGF-LWYYNNOASA-N	395.540	2.275	0	1	GEAF	
O=C(c1ccccc1)N1C[C@H]2COCCN2C2(CN(Cc3ccccc3F)C2)C1	2356648328	WQOJVAMZFOTTRU-FQEVSTJZSA-N	395.478	2.237	0	1	GEAF	
Cn1nc(C(=O)N[C@@H]2CCCN(Cc3ccccc3F)C2)c2ccccc2c1=O	11839846	FUHGPYHKIWIXDB-MRXNPFEDSA-N	394.450	2.467	0	3	GEAF	
Cc1ccccc1S(=O)(=O)NC(=O)[C@]1(C)CCN1C(=O)c1cccc(F)c1	61903504	OCVUKPREFCBBFD-IBGZPJMESA-N	390.436	2.244	0	3	GEAF	
COc1ccc2c(c1OC)[C@@H](N1CCc3cc4c(cc3C1=O)OCO4)OC2=O	2028657	XSCQOQQIGQZNLI-IBGZPJMESA-N	383.356	2.300	0	1	GEAF	biogenic
C[C@H](CCCN1C(=O)c2ccccc2C1=O)N1CCN(c2ncc(F)cn2)CC1	29462180	SSUOLEFZGDYCNS-OAHLLOKOSA-N	397.454	2.203	0	1	GEAF	
C(=C\COc1ccc(C2=NCCN2)cc1)\COc1ccc(C2=NCCN2)cc1	34072781	DTXPQWHAEILBLI-UPHRSURJSA-N	376.460	2.400	0	1	GEAF	
CCN(C)c1ncc(C(=O)N2CCN(C(C)=O)CC2)c(-c2ccc(F)cc2)n1	82140999	JJSBLPXXXFXYCR-UHFFFAOYSA-N	385.443	2.043	0	1	GEAF	
FC(F)(F)c1nc(NC[C@@H]2CCCO2)c2nnn(C[C@H]3CCCCO3)c2n1	84709725	DLBMSEXWUVTVDA-WDEREUQCSA-N	386.378	2.400	0	1	GEAF	
CC(=O)NC1=NN(C(C)=O)[C@]2(CC(C)(C)Oc3ccc(OC(C)=O)cc32)S1	98084193	IWIWJVQMDIUNTR-GOSISDBHSA-N	391.449	2.328	0	1	GEAF	
CCc1ccc(Nc2ccc3c(c2)C(=O)N([C@H]2CCC(=O)NC2=O)C3=O)cc1	169322215	JSZLPXYIVCJFMO-KRWDZBQOSA-N	377.400	2.394	0	1	GEAF	
COC[C@H]1CCCN1C1=C(C(=O)OC)[C@]2(C(=O)OC)Sc3ccccc3[C@@H]12	169354490	UNAMQNCWXYHUFL-UFAGZECESA-N	389.473	2.339	0	1	GEAF	
O=c1oc2cc(O)c(Br)cc2cc1-c1nc2c(O)nncc2[nH]1	586999476	CAPDZBDJYOOSRD-UHFFFAOYSA-N	375.138	2.300	0	1	GEAF	
CCC[C@H](C(=O)OCC)[C@@]1(C(=O)OCC)c2ccsc2CCN1C(N)=O	962720878	YHYONENNJMHKCK-FZKQIMNGSA-N	382.482	2.423	0	1	GEAF	
O=C(O)CN1C(=O)[C@H]2C[C@@H](CN2C(=O)Nc2ccc(F)cc2)Oc2ccccc21	2356302148	MTTDLGYPCGPGCO-GOEBONIOSA-N	399.378	2.311	0	1	GEAF	
C[C@]1(O)CCN(C(=O)C2CCOCC2)[C@H](c2ccccc2)[C@H]1NC(=O)C1CC1	2356700473	NVTXKURUROWRAR-KNKQGSTJSA-N	386.492	2.032	0	1	GEAF	
Cc1ccc(S(=O)(=O)NC(=O)[C@]2(C)CCN2C(=O)CC2CCCC2)cc1	61925640	NNEMKADZMHCNQG-IBGZPJMESA-N	378.494	2.371	0	3	GEAF	
CCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(CCc2c[nH]cn2)CC1	27986867	RUQQQLUEIPXCMA-UHFFFAOYSA-N	384.480	2.403	0	1	GEAF	
CCCCn1c(=O)c2[nH]c(-c3cnn(Cc4ccccc4)c3)nc2n(C)c1=O	29055912	JZILCKWTKVDTLU-UHFFFAOYSA-N	378.436	2.135	0	1	GEAF	
CC[C@@]12CC(C(=O)OC)=C3Nc4cc(OC)c(O)cc4[C@@]34CCN(C[C@@H]3O[C@@H]31)[C@@H]24	40828997	BECBFSXLBJGONE-DIMUUIPOSA-N	398.459	2.147	0	1	GEAF	in-vitro
CC(C)NC(=O)c1cccc(Cn2nnc3c(-c4ccco4)nc(N)nc32)c1	40865680	GZOISEYFUNQIGG-UHFFFAOYSA-N	377.408	2.250	0	1	GEAF	
N[C@@H](CC(=O)N1CCC[C@H]1CNC(=O)C1CCC1)Cc1cc(F)c(F)cc1F	43010371	OYVMWBWMXNWNTB-CABCVRRESA-N	397.441	2.271	0	1	GEAF	
O=C(Nc1cccc(Cl)c1)N[C@@H]1CC[C@H](CCNC(=O)C2CC2)O[C@@H]1CO	95904264	JUGQZOVOVDNIIT-BRWVUGGUSA-N	395.887	2.286	0	1	GEAF	
Cc1ccn2nc([C@H](C)n3cnc4c(N)ncnc43)n(-c3ccccc3)c(=O)c12	205594298	DVPZDGIXWQJOGJ-ZDUSSCGKSA-N	386.419	2.125	0	1	GEAF	
COc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2cc(C)c(=O)n(C)n2)nc1	209443551	SKCCSDARUWLTHF-ZBFHGGJFSA-N	393.447	2.440	0	1	GEAF	
O=C(O)CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc3ccccc3[nH]1)CC2	474602569	BRNKNTNFLLNLPK-NSHDSACASA-N	398.444	2.325	0	1	GEAF	
CC(=O)N1CCN(S(=O)(=O)c2ccc(-c3nc4ccccc4[nH]3)cc2)CC1	586957265	UXYIJXFHAZHMFS-UHFFFAOYSA-N	384.461	2.083	0	1	GEAF	
COC(=O)[C@@H]1SCC[C@@]12N[C@@H](C(=O)O)Cc1c(C(F)(F)F)cc(F)cc12	962704127	UIPHOFCDUQQVRK-XUJVJEKNSA-N	393.358	2.317	0	1	GEAF	
CN1CCC(SC(=S)NCCCCS(=O)(=O)c2ccncc2)CC1	1857590890	ZSMIJXVSLURKQF-UHFFFAOYSA-N	387.596	2.337	0	1	GEAF	
CC=C(C)C(=O)O[C@@H]1CC[C@H](C)[C@]2(C)[C@H](O)C3=C(C)C(=O)O[C@]3(OC)C[C@@]12O	2356713238	CDXRTRKAWMYIAC-PNBPLJRPSA-N	394.464	2.012	0	1	GEAF	
COc1ccc(S(=O)(=O)NC[C@H]2CCCN(Cc3cccnc3)C2)cc1	12297145	IVEOEBAFTZSKRA-QGZVFWFLSA-N	375.494	2.281	0	3	GEAF	
CC(=O)N(CCCN1CCCC1=O)[C@@H]1CC(C)(C)Oc2ccc(C(N)=O)cc21	758576	GWCJCQXWFCNWAV-QGZVFWFLSA-N	387.480	2.249	0	1	GEAF	
O=c1ccn(COC(COCc2ccccc2)COCc2ccccc2)c(=O)[nH]1	1619580	LWCIVTIGXVBGHL-UHFFFAOYSA-N	396.443	2.313	0	1	GEAF	
CCOc1cccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCO)c1	4041352	XSNYQQWLIVPHKM-CTNGQTDRSA-N	397.475	2.352	0	1	GEAF	
COCC(=O)N1CC[C@](C)(O)[C@H](NC(=O)c2ccccc2)[C@H]1c1cccs1	2356289366	UTJAPVYMFGRFGU-GGPKGHCWSA-N	388.489	2.218	0	1	GEAF	
OC[C@@H]1[C@H](O)C[C@@H](NC2CCC2)[C@@H]1Cc1ccnc(COc2ccccc2)n1	2356289464	WDOQPBBIVMYLNX-PLACYPQZSA-N	383.492	2.098	0	1	GEAF	
C[C@H]1CNC(=O)c2[nH]c3ccc(C(=O)Nc4nc(C(=O)N(C)C)cs4)cc3c21	28902320	YYUBEGXSKPJDCK-VIFPVBQESA-N	397.460	2.425	0	1	GEAF	
O=C(O)C(=O)Nc1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12	118408994	NMAVVRBCLSUDSN-CQSZACIVSA-N	387.346	2.372	0	1	GEAF	
Cn1cnc2cc(-c3ccc(N4CCOCC4)cc3)nc(NC3CC3)c2c1=O	115625036	RUYGPJUDLZGFNM-UHFFFAOYSA-N	377.448	2.406	0	1	GEAF	
O=C(NCCc1ccccc1)[C@H]1CCCN1S(=O)(=O)CCc1ccccc1	29222768	RIFTYCPPGITQBA-HXUWFJFHSA-N	386.517	2.382	0	1	GEAF	
CN1CCN(c2ccc(NC(=O)c3nnc(Nc4ccccc4F)o3)cn2)CC1	38225235	DLBKGVUOCQAPRH-UHFFFAOYSA-N	397.414	2.351	0	1	GEAF	
CCOC(=O)c1c[nH]c2ccccc2c1=Nc1cccc(S(=O)(=O)NC)c1	1911571532	SFGKKDZMLBMUBW-UHFFFAOYSA-N	385.445	2.485	0	1	GEAF	
CCN(C)C(=O)c1cnc(N2CCC[C@H](C(N)=O)C2)nc1-c1ccccc1F	82159605	XYARJXATKXCPTQ-ZDUSSCGKSA-N	385.443	2.076	0	1	GEAF	
O=C(O)c1ccc2cc(CCCCc3c(C(=O)O)[nH]c(=O)[nH]c3=O)ccc2c1	98209573	DCZIJZIECAAXJK-UHFFFAOYSA-N	382.372	2.178	0	1	GEAF	in-vitro
CCC(=O)N1CC(NC(=O)c2cnc(N)c3nc(-c4cccc(F)c4)ccc23)C1	144767729	XDOJQLHPRVGYGJ-UHFFFAOYSA-N	393.422	2.369	0	1	GEAF	
O=C1C[C@]2(C=C(CN3CCOCC3)OCC2=O)Oc2c1ccc1c2CCCC1	587519143	VEAWKOCVKITLJE-QFIPXVFZSA-N	383.444	2.085	0	1	GEAF	
COC(=O)c1ccnc2[nH]c(CCN(CCC(=O)O)Cc3ccccc3)nc12	587194040	YPSDGDVNVKCQAL-UHFFFAOYSA-N	382.420	2.264	0	1	GEAF	
CN1CC[C@@H](c2cccc(C(=O)NC[C@@H](O)CN3CCc4ccccc4C3)c2)C1	1772611071	BLZWWZUJJXPUOU-DHIUTWEWSA-N	393.531	2.255	0	1	GEAF	
CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H]2CCC[C@H](C)[C@H]2C)cc1	15791527	FHMSVWIMVUGZCW-IYOUNJFTSA-N	395.525	2.206	0	1	GEAF	
CN(C)S(=O)(=O)c1ccc(CCCNC(=O)NCc2ccccc2)cc1	1857650207	KSUSDOKNULDMGS-UHFFFAOYSA-N	375.494	2.369	0	1	GEAF	
C[C@H]1CN(CCCCn2cnc3c(=O)[nH]c(Nc4ccccc4)nc32)C[C@H](C)N1	22933683	SIEXHGADVYZANN-HOTGVXAUSA-N	395.511	2.326	0	1	GEAF	
O=C(O)c1cn(C2CC2)c2c(F)c(N3CCNCC3)c(F)c(Cl)c2c1=O	29400259	XNEHDWQCNXEZGC-UHFFFAOYSA-N	383.782	2.376	0	1	GEAF	
COCCn1c(=O)c(NCc2ccccc2)c2n(c1=O)[C@@H](c1ccccc1)CN2	82208880	KFSPUKRRGXJFNX-GOSISDBHSA-N	392.459	2.283	0	1	GEAF	
O=C(NC[C@@H]1[C@@H](c2ccccc2)[C@@H](CO)N1Cc1cccnc1)c1ccccn1	95895954	SYVBQOCIBBMOLP-YPAWHYETSA-N	388.471	2.236	0	1	GEAF	
O=C(O)[C@H]1C[C@H]2Cc3[nH]ncc3[C@@H](C1)N2S(=O)(=O)c1ccc(Cl)cc1	114842921	VHYBDYCQPHDKSP-CCUNJIBTSA-N	381.841	2.214	0	1	GEAF	
Cc1noc(C)c1Cn1cc(N2C(=O)CN(CCOc3ccccc3)C2=O)cn1	115732738	SYNAMMNNOPUWKU-UHFFFAOYSA-N	395.419	2.384	0	1	GEAF	
Nc1nc(N)c2cc(S(=O)(=O)c3ccc(Br)cc3)ccc2n1	169315077	FOQQLZQXVCWZNW-UHFFFAOYSA-N	379.239	2.390	0	1	GEAF	
CCOc1ccc2cc(-c3nn(CC(C)(C)CO)c(N)c3C(N)=O)ccc2n1	221714983	SVSZSOYWPORIAV-UHFFFAOYSA-N	383.452	2.197	0	1	GEAF	
CN(C)S(=O)(=O)c1ccc(OCc2nc3ccc(C(=O)O)cc3[nH]2)cc1	586931494	FSLQOZCZHMFGLU-UHFFFAOYSA-N	375.406	2.090	0	1	GEAF	
NC(=O)c1cccc2nc(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)[nH]c12	587112641	LAGPQJPXLRJTBC-UHFFFAOYSA-N	387.325	2.382	0	1	GEAF	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1c(C)nn(CCS(C)(=O)=O)c1C)O2	587410329	QSFHCMQCRDBHCE-IBGZPJMESA-N	391.493	2.316	0	1	GEAF	
Cc1ccc(Cc2cc3c(cc2Cl)O[C@@H]2[C@H]3O[C@H](CO)[C@@H](O)[C@@H]2O)cc1	1857751696	CFPVYEFHRQXTSE-SLHNCBLASA-N	376.836	2.154	0	1	GEAF	
CNC(=O)c1cc(C(=O)N[C@@H]2CCOC2)cc2c1O[C@H](CF)[C@H]2c1ccccc1	1911578871	VHGJXOIGDYSSOR-LZQZEXGQSA-N	398.434	2.427	0	1	GEAF	
O=C(COc1ccccc1)N[C@@H]1[C@H](c2ccc(C(F)(F)F)cc2)C[C@@H](O)[C@@H]1O	2356305215	QAZSZHHGACIRAI-ISARSNTHSA-N	395.377	2.478	0	1	GEAF	
CN(C)c1ccc(-c2ccnc(N[C@@H]3CO[C@@H]4[C@H](NCC5CC5)CO[C@H]34)n2)cc1	2356844675	NXWFQZCBTMXHRQ-XRXFAXGQSA-N	395.507	2.156	0	1	GEAF	
COc1ccc2c(c1OC)C(=O)O[C@@]21ON(C)[C@@H]2Cc3cc4c(cc3[C@@H]21)OCO4	14954200	KJCRSVQDFAVZCW-LZHZSBQWSA-N	397.383	2.341	0	1	GEAF	biogenic
Cc1ccc(N2C(=O)N[C@H]3CCN(C(=O)c4ccc(N(C)C)cc4)[C@@H]3C2=O)cc1	25232075	JBSVWMNIEUVCEO-OALUTQOASA-N	392.459	2.401	0	1	GEAF	biogenic
CC(C)[C@H]1Cc2cc(Br)cc3[nH]c(=O)c(=O)n(c23)[C@@H]1CC(=O)O	29311568	YDHNAWLMNDHFJV-ZYHUDNBSSA-N	381.226	2.296	0	1	GEAF	
COc1c(N2CCN(O)[C@@H](C)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12	72142679	RHFLRQZQILXMAJ-JTQLQIEISA-N	391.399	2.082	0	1	GEAF	
NCCCCN1C(=O)N(CC(=O)O)C(=O)C1(c1ccccc1)c1ccccc1	73404068	VSDVYQFXUBWOCH-UHFFFAOYSA-N	381.432	2.018	0	1	GEAF	
CCCn1c(=O)c(NCc2cccc(C(=O)O)c2)c2n(c1=O)C[C@@H](C(C)C)N2	82206405	YCVNVXZRLYTNNO-HNNXBMFYSA-N	386.452	2.180	0	1	GEAF	
CCC(=O)N1[C@H](CO)[C@@H](c2ccc(-c3ccccc3)cc2)[C@H]1CNC(=O)COC	95894987	NZQVWEYIOJOZRO-VIZSFHNOSA-N	396.487	2.182	0	1	GEAF	
O=C([C@@H]1CC12CCN(C1CCOCC1)CC2)N1CCCN(C2CCC2)CC1	103244092	BDOPQVFPHYQRME-FQEVSTJZSA-N	375.557	2.354	0	1	GEAF	
CC(C)CNC(=O)[C@H]1CCS(=O)(=O)[C@H]2CN(Cc3ccc(Cl)cc3)C[C@@H]12	299843065	LSLJTSFFVOWRIB-BZSNNMDCSA-N	398.956	2.347	0	1	GEAF	
O=C(O)CCN(CCc1nc2cc3c(cc2[nH]1)OCC(=O)N3)Cc1ccccc1	587193574	MLCCVBPJPNJWNW-UHFFFAOYSA-N	394.431	2.413	0	1	GEAF	
C[C@@]1(C(=O)NS(=O)(=O)C2CC2)CCN(C(=O)c2cc3ccccc3s2)C1	61905612	DEWDKLZELHIFLL-GOSISDBHSA-N	392.502	2.362	0	3	GEAF	
COc1ccc([C@H](O)CN[C@H](C)CCc2ccc3c(c2)OCO3)cc1C(N)=O	27073443	XYORPFAZUCCVPS-CXAGYDPISA-N	386.448	2.167	0	1	GEAF	
CCCNC[C@@H]1Cn2c(cc3ccc(C(=O)Nc4nccs4)cc32)C(=O)N1	29125908	JZXGEDATYPLTJJ-CQSZACIVSA-N	383.477	2.462	0	1	GEAF	
CC(=O)CC(=O)O[C@@H](C)CCCCC[C@H]1C[C@H]2CC[C@H]3C[C@@H](C)NC(=[N+]32)N1	33505341	PHRQNMKILBKKIK-VINWQNLFSA-O	378.537	2.491	0	1	GEAF	
CC(=O)N1CCN(C(=O)c2cnc(N3CCCCC3)nc2-c2ccccc2)CC1	82133278	OGTQBKCRJIBIAF-UHFFFAOYSA-N	393.491	2.438	0	1	GEAF	
O=C1CS(=O)(=O)c2cccnc2N1Cc1ccc(F)c(OC(F)(F)F)c1	169348910	AARWDDKVRQFBKD-UHFFFAOYSA-N	390.314	2.440	0	1	GEAF	
COc1ccccc1NS(=O)(=O)c1ccc2[nH]c(-c3ncc(N)cn3)nc2c1	587252699	JVHANBWXUDLTHM-UHFFFAOYSA-N	396.432	2.412	0	1	GEAF	
COc1ccc2[nH]c(C)c(Cc3cc4c(O)nc(O)nc4nc3C)c(=O)c2c1	587555099	NGRVIHFTBKDXAP-UHFFFAOYSA-N	378.388	2.494	0	1	GEAF	
CS(=O)(=O)N1CCC([C@@H](O)c2cncnc2Nc2cccc(F)c2)CC1	1772614146	HGJIZBYDINSKQU-MRXNPFEDSA-N	380.445	2.064	0	1	GEAF	
Cc1cc(-c2cnn(C)c2)cc([C@@H]2CCN(C(=O)c3cc(N(C)C)n[nH]3)C2)n1	1772614285	PLNMMISHXAKOKM-CQSZACIVSA-N	379.468	2.209	0	1	GEAF	
CS(=O)(=O)NCc1cccc(-c2ccc3c(=NC(=O)C4CC4)[nH][nH]c3c2)c1	1857618714	BRJBZMFHWMEAKM-UHFFFAOYSA-N	384.461	2.050	0	1	GEAF	
CN(C(=O)CSc1nncn1C)[C@H]1CCCN(Cc2ccccc2F)C1	12205983	XFHTYQHDVCDUPL-HNNXBMFYSA-N	377.489	2.169	0	3	GEAF	
CCCS(=O)(=O)NC(=O)[C@]1(C)CCCN(C(=O)CCc2cccs2)C1	61926321	VJYHTCTUUWWLNL-QGZVFWFLSA-N	386.539	2.165	0	3	GEAF	
O=C(O)c1cn(C2CC2)c2c(F)c(N3CCN4CC[C@@H]3C4)c(F)cc2c1=O	5932760	ZWLNNJUVRYMXIQ-LLVKDONJSA-N	375.375	2.207	0	1	GEAF	
CC1=C(c2ccc(C(C)C)cc2)S(=O)(=O)N=C1N1CCC(C(N)=O)CC1	9286732	OIQGVVZHFZHTNH-UHFFFAOYSA-N	375.494	2.480	0	1	GEAF	
Cc1cn(C/C=C\CNC(=O)C(c2ccccc2)c2ccccc2)c(=O)[nH]c1=O	13538420	NDILRUMMGDBGQL-HJWRWDBZSA-N	389.455	2.350	0	1	GEAF	
CN1CCN(C2=Nc3ccccc3Nc3ccc(OS(C)(=O)=O)cc32)CC1	26377519	OUTHAVMRGGWPSK-UHFFFAOYSA-N	386.477	2.408	0	1	GEAF	
Cc1c(S[C@H]2CCCCN2)n(COCSc2ccncc2)c(=O)[nH]c1=O	28120724	KPVVQAMMWXUEAE-AWEZNQCLSA-N	394.522	2.156	0	1	GEAF	
NCc1ccc(CCNCCNS(=O)(=O)c2ccc3ccccc3c2)cc1	34804669	FAFGLFAFLMEYOX-UHFFFAOYSA-N	383.517	2.409	0	1	GEAF	
O=c1cc(N2CCOCC2)[nH]c(Cc2nc3c(-c4cccnc4)cccc3o2)n1	84758671	REKLOBZOKMODQD-UHFFFAOYSA-N	389.415	2.401	0	1	GEAF	
Cc1cnc(N[C@H](C)CO)nc1-c1c[nH]c(C(=O)N[C@H](CO)c2ccccc2)c1	87612977	GFFVZIWJCAWLJQ-RDTXWAMCSA-N	395.463	2.036	0	1	GEAF	
CNC[C@H]1Oc2ncc(-c3cccc(F)c3)cc2C(=O)N([C@@H](C)CO)C[C@H]1C	95717213	PAPGUZKSUSUECO-BIENJYKASA-N	387.455	2.327	0	1	GEAF	
Cc1cc(-n2c(O)c3c(c2O)[C@H]2C=C[C@@H]3[C@@H](O)[C@H]2O)ccc1Br	169718543	VSFGIDVAKBHPOE-FHYCKABGSA-N	378.222	2.432	0	1	GEAF	
C[C@@H]1CC[C@@]2(O)[C@@]13CC(=O)[C@@]1(C)[C@@](OC(=O)c4ccccc4)(OC[C@@]21C)[C@@H]3O	238747261	BRRTVYWNYBLCAX-AKTXGRJUSA-N	386.444	2.077	0	1	GEAF	
Cc1cc(N)c2c(c1)C(=O)C[C@](CN)(c1ncn(Cc3ccccc3)c1N)O2	587389079	FAYFCZHZQFMFET-NRFANRHFSA-N	377.448	2.224	0	1	GEAF	
COc1ccc2[nH]c(C)c(CCc3ccc4c(O)nc(O)nc4n3)c(=O)c2c1	587556537	WBDWFXLIPAEDGI-UHFFFAOYSA-N	378.388	2.380	0	1	GEAF	
CCn1nc(C(=O)n2ncc3ccc(Cl)cc3c2=O)c2ccccc2c1=O	587655025	RRHQGFJJGBZMAC-UHFFFAOYSA-N	380.791	2.468	0	1	GEAF	
COc1ccc2c(c1)N(C)[C@H]1[C@@]23CCN2CC=C[C@](C)([C@H]23)[C@@H](C)[C@@]1(O)OC(C)=O	2356402209	BRPPDMZITRSQKG-HAZSLVOZSA-N	398.503	2.303	0	1	GEAF	
O=C(C(=O)N1CCN(C(=O)c2ccccc2)CC1)c1c[nH]c2c(F)cccc12	3591459	ZAYJSFVXCOIZBP-UHFFFAOYSA-N	379.391	2.474	0	1	GEAF	
NS(=O)(=O)c1ccc(Nc2cc(-c3cccc(N4CCOCC4)c3)[nH]n2)cc1	12355070	OTYOSKLKYVXQAT-UHFFFAOYSA-N	399.476	2.304	0	1	GEAF	
CC(C)Oc1nc(C(=O)NCc2ccc(S(C)(=O)=O)cc2)cc(N)c1Cl	14960004	UGKKDOKVLSCRFL-UHFFFAOYSA-N	397.884	2.438	0	1	GEAF	
CCCN(C(=O)CCN)C1=C(C)C[C@@H](c2ccccc2)N(CCC(=O)O)C1=O	28869386	JPQWTRDKNHOXQW-KRWDZBQOSA-N	387.480	2.296	0	1	GEAF	
Nc1ncnc2c1ncn2CCOC[P@@]1(=O)OCC[C@@H](c2ccncc2)O1	28974779	CAYVBFCJRWSTJY-JGTBNHKDSA-N	390.340	2.149	0	1	GEAF	
O=C1N=C2[C@H](C(=O)N=C3SC([N+](=O)[O-])=CN32)[C@@H](c2ccc(Cl)cc2)N1	95582437	BNTBDZIIXWTKBX-NXEZZACHSA-N	377.769	2.140	0	1	GEAF	
CN(C)CCCNC1=C2C(=N[C@H]3C=CC(C(=O)O)=C[C@H]23)N(C)c2ccccc21	103165873	HGPMOFFVHNVOOV-IRXDYDNUSA-N	378.476	2.367	0	1	GEAF	
COc1cc2c(cc1OC)[C@]1(C(=O)Nc3cc(C(=O)O)ccc31)N(C)[C@@H](C)C2	962618057	DVNYVAOIYLISOD-WIUDPPPLSA-N	382.416	2.474	0	1	GEAF	
COCC(=O)N[C@@H]1CC[C@]2(C)CC[C@H]([C@H](C)C(=O)NC(C)(C)C)[C@H](O)[C@H]2[C@H]1C	2356317493	VYFULSKOMZIRSA-SDLGVDMZSA-N	396.572	2.492	0	1	GEAF	
COCC(=O)N1CC[C@H]2NC(=O)N(c3ccc(Oc4ccccc4)cc3)C(=O)[C@@H]21	25425545	ALEBGXFKMRAJDO-IEBWSBKVSA-N	395.415	2.151	0	1	GEAF	biogenic
CCN1CC[C@]2(CCN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4CC)C2)C1	26378231	FQXFVKLBRRZUOX-FQEVSTJZSA-N	388.443	2.176	0	1	GEAF	
O=C(CCc1nnn2c1ncc1cc(O)ccc12)Nc1ccccc1C(=O)O	35859200	QULPVSFZSUEJGQ-UHFFFAOYSA-N	377.360	2.253	0	1	GEAF	
CCN1[C@H](C(=O)NCc2cccc(C(F)(F)F)c2Cl)CCS1(=O)=O	95553095	UHDGNJZALADCKA-NSHDSACASA-N	384.807	2.399	0	1	GEAF	
O=C(CC1CC1)N1[C@H](CO)[C@@H](c2ccccc2)C12CN(Cc1ccncc1)C2	95794763	YVEBEDMWTFTNIH-IFMALSPDSA-N	377.488	2.423	0	1	GEAF	
CC(=O)NC[C@H]1[C@H](c2ccc(-c3cccnc3)cc2)[C@H](CO)N1C(=O)C1CCC1	95894909	ABMCTRXCSJHXAW-FKBYEOEOSA-N	393.487	2.340	0	1	GEAF	
O=C(O)c1cn(-c2c(F)cccc2F)c2cc(N3CCNCC3)ccc2c1=O	103282390	RKZVKWNSXCREBO-UHFFFAOYSA-N	385.370	2.377	0	1	GEAF	
O=C(O)c1cn(C2CC2)c2c3c(c(F)cc2c1=O)N1CCC[C@H]1C[S@](=O)C3	113151623	ZAULWXLIJFMPGD-YBOJIHHZSA-N	390.436	2.405	0	1	GEAF	
Cc1ccc(/C=C\S(=O)(=O)NCc2nc3cc4c(cc3[nH]2)OCC(=O)N4)cc1	586941189	QOCUELFYTQAUGX-SREVYHEPSA-N	398.444	2.293	0	1	GEAF	
O=C(NCc1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1)c1cscn1	587027926	JLJCRNZNRCQCMQ-UHFFFAOYSA-N	390.368	2.243	0	1	GEAF	
CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H](C(=O)OC)[C@H](C(=O)OC)C1	587478437	JVTYRDYAJPTGAW-IKDJWVMYSA-N	376.405	2.421	0	1	GEAF	
CNC(=O)Nc1cc(Oc2ccccn2)c(-c2ccc(OCCO)nc2)cn1	1857545970	UCYCJSFXKNSDPY-UHFFFAOYSA-N	381.392	2.453	0	1	GEAF	
CC[C@@H]1OC(=O)[C@H](C)[C@H](O)[C@H](C)C(=O)[C@H](C)C[C@H](C)C(=O)[C@H](C)[C@@H](O)[C@@H]1C	2356655337	BFPPCOBUKUWWOH-YTTCMJLMSA-N	384.513	2.389	0	1	GEAF	
Cc1cc(=O)n2nc(N3CCC[C@H](C(=O)N[C@@H]4CCCC[C@@H]4C)C3)sc2n1	5149110	AZWJXIVYDKJMKF-AEGPPILISA-N	389.525	2.371	0	3	GEAF	
C[C@@H]1CNC(=O)c2c(C(=O)Nc3ccc(CNC(=O)OC(C)(C)C)cc3)ncn21	61921848	CYSYAPNQBBZBGZ-GFCCVEGCSA-N	399.451	2.465	0	3	GEAF	
CC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)N3CCC[C@@H](C)C3)ccc21	4971616	JEOCKMJHBIDSIT-CQSZACIVSA-N	378.494	2.018	0	1	GEAF	
Cc1c(N2C[C@H](C3CC3)[C@@H](N)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12	6520964	AJMZGFPXKPITST-WBVHZDCISA-N	385.439	2.496	0	1	GEAF	
CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4C[C@]3(C=C4CO)[C@@H](O)C[C@@H]2[C@@]1(C)CO	238742977	SDJVWZZBAQETFJ-YYOUGLFJSA-N	378.509	2.433	0	1	GEAF	
CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cc(OC)ncc2[nH]1	586965099	KJQHGSMHXLQSFD-UHFFFAOYSA-N	384.469	2.423	0	1	GEAF	
N=c1[nH]cc2nc(-c3sccc3S(=O)(=O)Nc3ccc(F)cc3)nc-2[nH]1	587167284	LFSZPMBADOHMFZ-UHFFFAOYSA-N	390.425	2.385	0	1	GEAF	
COc1cc2c3c(c1)O[C@@]1(C(=O)Nc4cc(SCC(=O)O)ccc41)[C@@H](C2)C3=O	587450384	FSJLUQCQCYHOHQ-RNODOKPDSA-N	397.408	2.467	0	1	GEAF	
CCOC(=O)c1cc(Br)c2[nH]c([C@@H]3[C@H](C(=O)O)[C@@H]3C(=O)O)nc2c1	587971180	VUDFSJLVTVPSJP-ILWJIGKKSA-N	397.181	2.001	0	1	GEAF	
COc1cccc([C@]2(CC3OCCO3)N[C@H](C(=O)O)Cc3cc(F)ccc32)c1	962905262	DCQQCOJSCAOQSI-RXVVDRJESA-N	387.407	2.440	0	1	GEAF	
Cc1ccc(S(=O)(=O)N2CC[C@]3(C2)NCCc2c(C(=O)O)cccc23)cc1	963130581	KDPUBXRXDVPBIR-HXUWFJFHSA-N	386.473	2.129	0	1	GEAF	
Cc1nn(Cc2nc(-c3cccc(C4=NCCN4)c3)no2)c(=O)c2ccccc12	1857564119	LYAFNDDMSXZZDD-UHFFFAOYSA-N	386.415	2.153	0	1	GEAF	
C[C@@H](O)c1onc(-c2cccnc2)c1C(=O)N1CCN(c2ccccn2)CC1	2356302794	BIZREEBJMXXOHC-CQSZACIVSA-N	379.420	2.147	0	1	GEAF	
CSCC[C@H](CO)NC(=O)c1cn(Cc2ccncc2)c(=O)c2ccccc12	2356648264	USLZPZVZJMQRQM-MRXNPFEDSA-N	397.500	2.289	0	1	GEAF	
Cc1cc(=O)n2nc(N3CCC[C@H](C(=O)N4CCc5ccccc54)C3)sc2n1	4110517	UIZQZJSQGGMPJK-HNNXBMFYSA-N	395.488	2.265	0	3	GEAF	
COc1cc([C@@H]2c3cc4c(cc3C(=O)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O	6483608	OJDRVIHXHQXFSH-RZAIGCCYSA-N	398.367	2.256	0	1	GEAF	biogenic
Cc1c(N2C[C@@H](N)[C@H](C3CC3)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12	6520991	AJMZGFPXKPITST-DOTOQJQBSA-N	385.439	2.496	0	1	GEAF	
COc1ccc([C@@H]2Nn3c(C)nnc3S[C@@H]2C(=O)NCc2ccco2)cc1	20068824	WKKWVMLEMQVVRR-HOTGVXAUSA-N	385.449	2.264	0	1	GEAF	
Cc1nc(C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(C)C)cc2c1[nH]c1ccccc12	38301058	DKPUFUPKZQKGIQ-UGSOOPFHSA-N	382.464	2.276	0	1	GEAF	biogenic
CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)O)O[C@H]1CO2	95888592	AQKQROKSGQSFNM-UNEWFSDZSA-N	390.436	2.281	0	1	GEAF	
CN1CCCN(c2nccnc2OC2CN(c3ccc4ccccc4n3)C2)CC1	96168720	OLLUGTSNTXCRJK-UHFFFAOYSA-N	390.491	2.434	0	1	GEAF	
COC(=O)C1=C[C@H]2C3=C(N4CCOCC4)c4ccccc4N(C)C3=N[C@@H]2C=C1	98085286	DZGFIACXEOQLFQ-IAGOWNOFSA-N	377.444	2.246	0	1	GEAF	
CC(C)n1c(=O)c(C(=O)NC2C[C@H]3CC[C@H](C2)N3CCO)cc2ccccc21	101633485	MIEQAWKQDMBOLO-QZTJIDSGSA-N	383.492	2.300	0	1	GEAF	
CCS(=O)(=O)N(CCN1CCOCC1)c1sc2ccccc2c1[C@H](C)O	115231004	LFKMIVWZEUJCBT-AWEZNQCLSA-N	398.550	2.443	0	1	GEAF	
Cc1ccccc1NC(=O)C(=O)CC(=O)c1c(C)n(O)c2ccccc2[n+]1=O	138394124	NYVGCAUALQMBSG-UHFFFAOYSA-O	380.380	2.191	0	1	GEAF	
CCOC(=O)c1nn(-c2ccc(S(N)(=O)=O)cc2)c2c1CNc1ccccc1-2	167364356	UQCQKUFRUBVGME-UHFFFAOYSA-N	398.444	2.289	0	1	GEAF	
NC(=O)c1ccc2c(c1)C[C@](NC(=O)c1cccc3c1CCCC3)(C(=O)O)C2	168224512	QVQHKJQFIIQHDQ-QFIPXVFZSA-N	378.428	2.016	0	1	GEAF	
Nc1cnc(-c2ccc(-c3cccnc3S(=O)(=O)[C@H]3CCNC3)cc2F)cn1	224800972	KYQLDZSZMJMBND-ZDUSSCGKSA-N	399.451	2.063	0	1	GEAF	
CC(C)S(=O)(=O)c1c(Cl)ccc(NC(=O)N[C@H]2CCN(C)C2)c1O	1772619147	GCCWSIGQZINSGP-JTQLQIEISA-N	375.878	2.053	0	1	GEAF	
CC(=O)OC[C@]1(O)CC[C@@]23C[C@H]1C=C2C=C[C@H]1[C@]3(C)CC[C@@H](O)[C@@]1(C)CO	2356695247	YSZOPKFZKQTCBL-OWLUANBVSA-N	376.493	2.353	0	1	GEAF	
CC(C)(C)C(=O)OC[C@@H]1C(=O)OC[C@@H]1C(=O)N1Cc2cc3ccccc3nc2C1	13214632	CXOSVPBPIYWQCY-HOTGVXAUSA-N	396.443	2.456	0	1	GEAF	
O=P(O)(O)C(Br)(Br)[P@@](=O)(O)c1ccccc1	13651462	NJCIBQXJKZUIOF-UHFFFAOYSA-N	393.892	2.161	0	1	GEAF	
C[C@H]1CN(c2c(F)cc3c(=O)c(C(=O)O)cn4c3c2SCC4)C[C@@H](C)N1	27527061	XPEKUXDTZAPOHF-AOOOYVTPSA-N	377.441	2.131	0	1	GEAF	
O=C(NC12CC3CC(CC(C3)C1)C2)OCCN1CCN(c2ncccn2)CC1	27560503	NKPSOVIFNZASQG-UHFFFAOYSA-N	385.512	2.294	0	1	GEAF	
O=C(Cn1sc2ccccc2c1=O)NCc1cn(CCc2ccccc2)nn1	73239971	QLHMAZZWQMLPLX-UHFFFAOYSA-N	393.472	2.214	0	1	GEAF	
Cc1c(N2C(=O)[C@@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@H]3C2=O)c(=O)n(-c2ccccc2)n1C	169295026	QKMUGOSVGDEHFO-PDCGBLAGSA-N	375.428	2.042	0	1	GEAF	
CN1C[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@@]12C(=O)Nc1ccccc12	299814066	UMKQHLAXKPCSDV-OWZDWXTDSA-N	381.819	2.239	0	1	GEAF	
CCOC(=O)Cc1ccc2nc(-c3sc(NS(C)(=O)=O)nc3C)[nH]c2c1	586951777	ZCAORCKLYRGFFB-UHFFFAOYSA-N	394.478	2.472	0	1	GEAF	
COC(=O)[C@@]1(CC(=O)c2cc(OC)ccc2OC)NCCc2ccc(O)cc21	963329576	OVWDOBBYAHXAPX-NRFANRHFSA-N	385.416	2.196	0	1	GEAF	
C[C@H](O)[C@@H](CCc1cccc(-c2cnccn2)c1)n1cnc2c(N)ncnc21	1857755151	OVBFLRIIVSVWRZ-SUMWQHHRSA-N	375.436	2.420	0	1	GEAF	
Cc1oc(=O)c2c(c1C)O[C@]1(C)[C@H](O)C[C@]3(O)C(C)(C)C(=O)CC[C@@]3(C)[C@H]1C2	2356327499	BYDBIWUWHHXUSH-NLJLNQJYSA-N	390.476	2.458	0	1	GEAF	
CC[C@H](C)[C@@]1(OC)NC(=O)[C@@H](C(C)C)n2c1nc1c(c2=O)C=C(OC)C=CO1	2356850184	QAGOKKIRIONYAD-VHPWJVAPSA-N	389.452	2.309	0	1	GEAF	
CC[C@H]1Nc2ncnc(N3CCOCC3)c2N(Cc2ccc(OC)cc2)C1=O	61959731	YOLQUTFASGKXBO-MRXNPFEDSA-N	383.452	2.059	0	3	GEAF	
CCCCCCN1CCC[C@@H]1CNC(=O)c1cc(S(N)(=O)=O)ccc1OC	13860951	ARSAADUCGPEJRE-OAHLLOKOSA-N	397.541	2.117	0	1	GEAF	
CN1Cc2ccccc2C[C@@H]1CNC(=O)c1cn(Cc2ccccc2F)nn1	20255277	JDVXGNMQPBIIHN-GOSISDBHSA-N	379.439	2.252	0	1	GEAF	
O=c1n(Cc2nc3c(n2CCCCO)CCCC3)c2cnccc2n1C1CC1	95586984	OMGGIXOGIRUHJZ-UHFFFAOYSA-N	381.480	2.429	0	1	GEAF	
COc1ccc(Nc2ncnc3c(=N)n(NC(=O)c4ccco4)cnc23)cc1	102126089	VEFAHEZGDZRRJR-UHFFFAOYSA-N	377.364	2.035	0	1	GEAF	
COc1cccc(S(=O)(=O)n2cc3c4c(cccc42)N2CCNC[C@@H]2C3)c1	118363119	DOBUOBAPPQDHPY-HNNXBMFYSA-N	383.473	2.221	0	1	GEAF	
O=S(=O)(c1ccc2nc([C@H]3C[C@@H]3C(F)(F)F)[nH]c2c1)N1CCOCC1	587092027	AFGHAUZITAAIBH-QWRGUYRKSA-N	375.372	2.250	0	1	GEAF	
Nc1ncnc2[nH]c([C@@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)nc12	587171222	NBEIVHKFOSYFFK-AWEZNQCLSA-N	398.423	2.142	0	1	GEAF	
CC(C)c1nn(C)c2c1[C@](C)(c1cnc3[nH]c4ccccc4n3c1=O)NCC2	962915885	VWQVVNMHNRVWPV-NRFANRHFSA-N	376.464	2.442	0	1	GEAF	
CC(=O)NC[C@@H]1C=C(C)[C@H](CC(=O)N2CCN(C(C)=O)CC2)C[C@@H]1C(C)C	2356484950	NGLMAJKPVWKBCC-SLFFLAALSA-N	377.529	2.058	0	1	GEAF	
Cc1noc(/C=C/N(C)C)c1S(=O)(=O)N1CCN(c2ccc(F)cc2)CC1	49539867	HQIMYJOEFKPMEC-CMDGGOBGSA-N	394.472	2.165	0	3	GEAF	
CCOC(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)NCc1ccccc1	198919375	MNHMXXKGXGTDNL-ROUUACIJSA-N	389.496	2.455	0	3	GEAF	
Cc1cc(C)n(CCNC2CCN(c3cccc(N4CCNC4=O)c3)CC2)n1	20856860	JYOFZEHEPHWXSW-UHFFFAOYSA-N	382.512	2.288	0	1	GEAF	
CCn1cc(C(=O)O)c(=O)c2cc(F)c(-n3cnc(CN(C)C)c3)c(F)c21	26280569	OFKDQWYXVVBWHZ-UHFFFAOYSA-N	376.363	2.245	0	1	GEAF	
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CC[C@H]([C@@H](C)N)C3)c(OC)c21	27997797	KGBAGNYTHSMCRZ-MNOVXSKESA-N	377.416	2.041	0	1	GEAF	
Cc1ccc(Cn2cc(CNC(=O)[C@H]3COC(c4ccccc4)=N3)nn2)cc1	49066962	DAZKYTGPCSHKAY-LJQANCHMSA-N	375.432	2.097	0	1	GEAF	
CCCN1[C@@H]2c3ccc(C4=CCCCC4)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)N(C)C	95866861	AZBYMCABARNOLK-RMVXJAJNSA-N	399.535	2.268	0	1	GEAF	
C[C@@H]1C(=O)c2nc(CCCN3N=C(c4ccccc4)CCC3=O)[nH]c2N(C)C1=O	100034427	YOIZQXAGEQWQCJ-CYBMUJFWSA-N	393.447	2.164	0	1	GEAF	
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CC[C@@H]([C@H](C)N)C3)c(OC)c21	135712418	KGBAGNYTHSMCRZ-WDEREUQCSA-N	377.416	2.041	0	1	GEAF	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC(=O)N(c3ccc(F)cc3)N=C1C(=O)O)O2	587384319	JVHUPNLTQMWOSZ-HXUWFJFHSA-N	397.362	2.298	0	1	GEAF	
Cc1ccc(S(=O)(=O)n2ccc(-c3ccc4c(O)nc(O)nc4n3)c2)cc1	587563714	WECLIIVUOCEFCH-UHFFFAOYSA-N	382.401	2.450	0	1	GEAF	
O=C(O)[C@@H]1NC[C@@H]2[C@@H]1CC[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	587598971	ZFGGRGLGMSUZFK-QADPGPKFSA-N	381.384	2.175	0	1	GEAF	
COc1ncnc(OC)c1[C@@H]1c2ccccc2C[C@]2(C3CCC3)C(=O)NC(=O)N12	962660252	GRALBOVVHXVAPF-KKSFZXQISA-N	394.431	2.230	0	1	GEAF	
O=c1c2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc2nc(O)n1O	1857539080	XSIVNPPIFLZSOE-UHFFFAOYSA-N	383.385	2.293	0	1	GEAF	
Cn1ncc2cc(CNC(=O)c3cnn(Cc4ccc(F)c(F)c4)n3)ccc21	1857646459	FQDAYMWSKCIFFZ-UHFFFAOYSA-N	382.374	2.421	0	1	GEAF	
COc1ccccc1N1CCN(CCCNc2ccncc2C(=O)N(C)C)CC1	13764488	QOMKHUXPIGUJJZ-UHFFFAOYSA-N	397.523	2.416	0	1	GEAF	
Cc1c2oc(CN3CCN(C)CC3)cc2cc2c(=O)cc(N3CCOCC3)oc12	26579459	HRGNPLYELOFKSF-UHFFFAOYSA-N	397.475	2.432	0	1	GEAF	
CCCC(=O)NC(CC(=O)c1cccc(OC)c1)(C(=O)OCC)C(=O)OCC	26657252	AXTPTULOWJCGTO-UHFFFAOYSA-N	393.436	2.049	0	1	GEAF	
O=C(O)Cc1ccc(OC[C@@](O)(Cn2cncn2)c2ccc(F)cc2F)cc1	72114128	CCAAJVLYTJBPIT-IBGZPJMESA-N	389.358	2.150	0	1	GEAF	
CCC(=O)N1[C@@H](CO)[C@@H]2c3ccccc3N(C(=O)c3ccc4c(c3)OCO4)C[C@@H]21	95893995	JMVPXSPCBDXTLG-XGHQBKJUSA-N	394.427	2.141	0	1	GEAF	
O=C(C[C@@H]1C[C@@H]2CC[C@@H]1C2)N1CCN(S(=O)(=O)c2ccccc2F)CC1	102727846	QGCMJWGMDIYFOI-OAGGEKHMSA-N	380.485	2.485	0	1	GEAF	
O=S1(=O)CCCN1C[C@H](O)Cn1c2ccc(F)cc2c2ccc(F)cc21	148447317	VCMUADMLMLKFTG-AWEZNQCLSA-N	380.416	2.469	0	1	GEAF	
CC(=O)O[C@H]1C[C@@]2(C)[C@H](CCc3ccoc3)[C@@H](C)C(=O)C[C@@H]2[C@H](CO)[C@H]1O	238736748	LGOPOYHWHZXSDH-ZBFDXPLDSA-N	378.465	2.365	0	1	GEAF	
C[C@H](Sc1nc(N)cc(O)n1)c1nc2ccc(CN3CCOCC3)cc2[nH]1	586962645	UFFSAZRKLUMANA-NSHDSACASA-N	386.481	2.326	0	1	GEAF	
COC(=O)C(=O)C[C@]1(c2ccccc2OC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	587444176	SOGCZDKUCYKAGZ-IVZQSRNASA-N	396.395	2.479	0	1	GEAF	
NC(=O)c1ccc(C(=O)Nc2cccc(COc3cncc(C(N)=O)c3)c2)cc1	653888059	RDIJGHJHZPQSKV-UHFFFAOYSA-N	390.399	2.111	0	1	GEAF	
CN1C(=O)C2=C(C1=O)N(CC(=O)Nc1ccc(-c3ccccc3)nc1)CCC2	1772596872	QMYRMPQYVOUAQB-UHFFFAOYSA-N	376.416	2.036	0	1	GEAF	
CCOc1n[nH]c2cc(NC(=O)N[C@@H](c3ccccc3)[C@@H](C)O)nc(CO)c12	1772625109	UWPSRZYULGEOKL-PIGZYNQJSA-N	385.424	2.093	0	1	GEAF	
COCC(=O)N[C@@H]1[C@H](c2cccs2)N(C(=O)CC(C)(C)C)CC[C@@]1(C)O	2356288331	ATWUVRKQIVDTGS-YQVWRLOYSA-N	382.526	2.340	0	1	GEAF	
CC1(C)CN(C(=O)c2ccccc2F)C[C@H]2CN(C3CCOCC3)CCN21	2356531361	WLOSUGRJVLTJAG-QGZVFWFLSA-N	375.488	2.225	0	1	GEAF	
O=C1CC[C@@H](CN(Cc2ccccn2)Cc2nc(Cc3ccccc3)no2)N1	59939045	IZFRRFMPPIDTJZ-SFHVURJKSA-N	377.448	2.336	0	3	GEAF	
O=C(Nc1ccc(NC2=NCCN2)cc1)Nc1ccc(NC2=NCCN2)cc1	29133248	LKTCZTBRNBJWBP-UHFFFAOYSA-N	378.440	2.073	0	1	GEAF	
CC[C@@H](NC(=O)c1cc(C(=O)NCC2(O)CC2)n2c1COCC2)c1ccccc1	143825279	FYXIZSDOJGRGBZ-QGZVFWFLSA-N	397.475	2.154	0	1	GEAF	
N#Cc1ccnc(O[C@@H]2CCN(C(=O)OC3[C@H]4CC5C[C@H]3CC(O)(C5)C4)C2)c1	200188953	LEFNSYREMLTZEY-AFSTWNBGSA-N	383.448	2.483	0	1	GEAF	
COCCNC(=O)c1cccc(NC(=O)CCc2nc3c(C)ccnc3[nH]2)c1	587231119	LVAWEJYLEMPVNT-UHFFFAOYSA-N	381.436	2.214	0	1	GEAF	
CCOC(=O)c1c[nH]nc1[C@@H]1N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21	962969326	QGGVBUMKIKFWIT-QMTHXVAHSA-N	385.754	2.206	0	1	GEAF	
CCOC(=O)CC[C@@]1(CC(=O)OCC)NC[C@@H]2CC(=O)N(C)c3cccc1c32	963020391	FWLMKERCLXUDLZ-QKKBWIMNSA-N	388.464	2.232	0	1	GEAF	
c1nc(N2CCC(N3CCCCC3)CC2)c2ccn(CCN3CCOCC3)c2n1	1857552411	UDHBGRHEZWDDIL-UHFFFAOYSA-N	398.555	2.218	0	1	GEAF	
O=S(=O)(NC[C@@H]1COCc2nc3cc(F)ccc3n21)c1ccc(F)cc1	2356299896	QDMTXRPIBIVQDB-CYBMUJFWSA-N	379.388	2.364	0	1	GEAF	
COc1cc(C(=N)N)ccc1OC/C=C/COc1ccc(C(=N)N)cc1OC	6483758	MPPDVTKDCKJYHV-ONEGZZNKSA-N	384.436	2.286	0	1	GEAF	
NCCc1c[nH]c2ccc(C[C@@H]3NC(=O)N(CCc4ccccc4)C3=O)cc12	13603462	XRVJOLNBJVOAFI-FQEVSTJZSA-N	376.460	2.375	0	1	GEAF	
COc1cc2c(cc1OC)[C@]13CCN4C[C@H]5CCO[C@@H]6CC(=O)N2[C@@H]1[C@H]6[C@H]5C[C@H]43	17328073	BETNIDISFVHOSJ-KUZHJKSVSA-N	396.487	2.190	0	1	GEAF	
COc1cc(CC(=O)NC[C@@H](COC(C)=O)OCc2ccccc2)ccc1O	26740577	KIDNLFYWFARMJT-SFHVURJKSA-N	387.432	2.208	0	1	GEAF	
CC(C)[C@H](NC(=O)CCCNC(=O)NC12CC3CC(CC(C3)C1)C2)C(=O)O	40575492	FDWZBZOTSFNHDH-SOZFHFLDSA-N	379.501	2.260	0	1	GEAF	
N[C@H]1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn([C@H]4C[C@H]4F)c3c2Cl)C1	58511443	RHXWDMANWNEVNN-KOLSJAJHSA-N	383.782	2.313	0	1	GEAF	
C[C@]12C[C@@H](O)[C@H](O)CC1=CC[C@H]1C(=O)O[C@@H]3CO[C@]4(C)OC=C(CC[C@@H]12)[C@H]34	59587986	ULXVHDBQEPWLDR-KGRLHAKYSA-N	376.449	2.053	0	1	GEAF	biogenic,in-vitro
O=C1c2ccccc2C(=O)N1[C@@H]1CCCN(Cc2ccc(OCCO)cc2)C1	95784323	SGRFKMBNHUWOIN-QGZVFWFLSA-N	380.444	2.318	0	1	GEAF	
CCOC(=O)N1C[C@@H]2CC[C@@H](C1)C2NCCNC(=O)c1cc(F)cc(F)c1	101505613	OFEVSBUPYRINBN-STQMWFEESA-N	381.423	2.151	0	1	GEAF	
c1cc(-c2n[nH]c3ccc(-c4nn[nH]n4)cc23)ccc1OCCN1CCOCC1	164788413	HSZUDLJGFIRCJI-UHFFFAOYSA-N	391.435	2.121	0	1	GEAF	
Cn1cc(-c2ccc3c(c2)CCn2c-3cc(OC[C@@H]3CCCO3)nc2=O)cn1	209704873	HIUZQEMEHMKQTE-KRWDZBQOSA-N	378.432	2.425	0	1	GEAF	
C[C@H]1CC(=O)N([C@@H](C)C(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)C1=O	653791291	GOBGYUDXUNWESR-RYUDHWBXSA-N	398.290	2.426	0	1	GEAF	
COC(=O)[C@@H]1Cc2ccc(OC)cc2[C@@]12N[C@H](C(=O)O)Cc1cc(F)ccc12	962892627	GLWWSXOGPSUBNE-BBTUJRGHSA-N	385.391	2.022	0	1	GEAF	
CC1(C)Oc2cc(O)ccc2[C@@H]2[C@H]1C=Cn1c(=O)n(-c3ccccc3)c(=O)n12	1772570844	LOIMBROAWGVTSN-SJLPKXTDSA-N	377.400	2.367	0	1	GEAF	
NC[C@@H](NC(=O)c1ccc(-c2ccc(Cl)cn2)[nH]1)c1nc(CO)cs1	1857564965	LFZBUEYPLRGTCL-CQSZACIVSA-N	377.857	2.109	0	1	GEAF	
Cn1nc(C(=O)N2CC[C@@H](F)C2)c2ccc(N=c3[nH][nH]c4cccnc34)cc21	1857651776	HDOUYWYJYQRUQW-LLVKDONJSA-N	379.399	2.194	0	1	GEAF	
CC=C1CN(C=O)[C@H]2C[C@@]3(C(=O)N(OC)c4cc(OC)ccc43)[C@H]3C[C@H]1[C@H]2CO3	2356335780	CVZRLVRONXDZMM-MJNUIWOHSA-N	398.459	2.053	0	1	GEAF	
O=C1O[C@H](CO)[C@@H](Cc2ccc3c(c2)OCO3)[C@@H]1Cc1ccc2c(c1)OCO2	2356587541	ORMBJJWNRAOORJ-AUSJPIAWSA-N	384.384	2.079	0	1	GEAF	
CCOC(=O)[C@H]1CCCN(C(=O)CCn2nc(-c3ccccc3)ccc2=O)C1	4034443	JBYYDGVARHKCKG-KRWDZBQOSA-N	383.448	2.102	0	3	GEAF	
Nc1ccn(CCCN2CCN(Cc3cccc4ccccc34)CC2)c(=O)n1	61922389	MFXXFNMVUFLQLF-UHFFFAOYSA-N	377.492	2.187	0	3	GEAF	
CCCNC(=O)[C@H](C)N1C(=O)N2CCc3c([nH]c4ccc(OC)cc34)[C@]2(C)C1=O	2116567	IFTPVFAFLUPTIJ-LAJNKCICSA-N	398.463	2.127	0	1	GEAF	biogenic
CC1CCN(C(=O)CN2CCSc3ccc(S(=O)(=O)N(C)C)cc32)CC1	8610906	BALMCZNBZUSKBF-UHFFFAOYSA-N	397.566	2.108	0	1	GEAF	
COCCNC(=O)c1cc(S(N)(=O)=O)ccc1SCCc1ccccc1	49784979	MBXJFMPDXDLKOS-UHFFFAOYSA-N	394.518	2.045	0	1	GEAF	
N[C@H](C(=O)N1C[C@H](F)[C@@H](F)C1)[C@H]1CC[C@H](NC(=O)OCc2ccccc2)CC1	100770767	PKKRAIPZCYLNRN-ADHGMGHFSA-N	395.450	2.317	0	1	GEAF	
Cn1cc(S(=O)(=O)NCc2cccc([C@@H](CN)Cc3ccccc3)c2)cn1	114243712	KGBATTRBSMKHMW-LJQANCHMSA-N	384.505	2.184	0	1	GEAF	
CNc1ccc2ncnc(Nc3cc(S(=O)(=O)NC)ccc3N(C)C)c2c1	117165478	HSXXPAFGNVISQH-UHFFFAOYSA-N	386.481	2.389	0	1	GEAF	
CSc1c(CCNC(=O)c2ccc(O)c(Br)c2)n(C)c[n+]1C	207162107	LHAUOESVJOGJLI-UHFFFAOYSA-O	385.307	2.012	0	1	GEAF	
CCNC[C@H]1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn4c3c2OC[C@H]4C)C1	253635380	LLCOQPLUQLDBRS-VXGBXAGGSA-N	389.427	2.228	0	1	GEAF	
Cc1cc2nc(CNS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c2cc1F	586941101	FUBXLMPLSUVMKI-UHFFFAOYSA-N	377.397	2.260	0	1	GEAF	
Cc1cccc2nc(Cn3cc(I)c(C(=O)O)n3)[nH]c12	587186439	WOWKHHUIJHXXCP-UHFFFAOYSA-N	382.161	2.419	0	1	GEAF	
COC(=O)Cn1cc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)nn1	587755885	BHGQMYXFAPFJOU-ABKXIKBNSA-N	397.248	2.150	0	1	GEAF	
Cc1c2c(nn1C)[C@H](c1ccc3c(c1)c(C=O)c(Cl)n3C)N[C@@H](C(=O)O)C2	962720118	ZATBISVHRFOOJG-ZBFHGGJFSA-N	386.839	2.374	0	1	GEAF	
Cc1cc(C(=O)N[C@@H](Cn2ccnc2)C(=O)OC(C)C)nn1-c1ccccc1	1857751890	HNLRJMNONVKTRF-SFHVURJKSA-N	381.436	2.127	0	1	GEAF	
C[C@@H]1OC=C(C(=O)O)[C@@H]2C[C@@H]3c4[nH]c5ccc(O)cc5c4C[C@H](C(=O)O)N3C[C@H]12	2356408193	XCHQOAXKIOZNDD-WLYLJBEOSA-N	398.415	2.249	0	1	GEAF	
CC=C1CN2CC[C@]34c5cc(OC)ccc5N5C(=O)[C@H](OC)OC[C@@H]([C@H]1C[C@@H]23)[C@@H]54	2356439317	NBQDHEDMCIJPPC-MTBQWSTDSA-N	396.487	2.321	0	1	GEAF	
O=S(=O)(NCCCCc1c[nH]cn1)NCc1ccc(C(F)(F)F)cc1	1895076	MBIGGJXFXHKTMH-UHFFFAOYSA-N	376.404	2.375	0	1	GEAF	
COc1ccc2c(c1)[C@H](n1c(Br)nc3c(=O)[nH]c(N)nc31)CCC2	3842940	RRLNEPXLPBWKEF-LLVKDONJSA-N	390.241	2.399	0	1	GEAF	
CCn1c(=O)c2sccc2n2c(CCCC(=O)NCc3ccccn3)nnc12	6868385	YEEFAGKJVPGKQK-UHFFFAOYSA-N	396.476	2.160	0	1	GEAF	
CC(C)NC[C@@H]1CCN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C1	28095448	HNYWCONSJWPVSY-LBPRGKRZSA-N	388.443	2.393	0	1	GEAF	
Fc1ccc([C@@H](c2nnnn2Cc2ccccc2)N2CCn3cnnc3C2)cc1	58581750	UPAVVBVOLKJIJO-IBGZPJMESA-N	390.426	2.057	0	1	GEAF	
CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1[C@H]2COC[C@H]1C[C@@H](C(N)=O)C2	101095672	RHXKGFMFYVEJCA-JXFSHQFZSA-N	380.872	2.140	0	1	GEAF	
CCNC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1	167003336	JXHOIKQCRPCXSU-AWEZNQCLSA-N	380.448	2.489	0	1	GEAF	
Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc(COCCCN(C)C)cc1	199945075	NKNLPZSYZMFUHP-UHFFFAOYSA-N	380.514	2.306	0	1	GEAF	
COc1ccc(S(=O)(=O)N[C@H](c2nc3cc(Cl)cnc3[nH]2)[C@H](C)O)cc1	586938839	RMSMXPUTVFJJOB-XPTSAGLGSA-N	396.856	2.020	0	1	GEAF	
CN1CCN(c2ccc3[nH]c(-c4ccc(NS(C)(=O)=O)cc4)nc3c2)CC1	586950454	HKKORAHOTWCOHF-UHFFFAOYSA-N	385.493	2.353	0	1	GEAF	
Brc1cnc2c(-c3nc4ccc(-n5cnnn5)cc4[nH]3)cnn2c1	587009102	VFJVBGOJCPTVLF-UHFFFAOYSA-N	382.185	2.011	0	1	GEAF	
C[C@]1(c2ccc(O)c(CCO)c2)N[C@H](C(=O)O)Cc2c1cnc1ccccc21	963220756	ILOFWISFHYSNND-SIKLNZKXSA-N	378.428	2.338	0	1	GEAF	
CNCCOc1ccc(NC(=S)NCCCn2cncc2C)cc1OC	1772614645	CIPGGMABORFAOG-UHFFFAOYSA-N	377.514	2.175	0	1	GEAF	
CS(=O)(=O)c1nc(-c2cccn(Cc3ccc(C(F)(F)F)cc3)c2=O)n[nH]1	1857752975	YRMRAVFPEFTNRO-UHFFFAOYSA-N	398.366	2.104	0	1	GEAF	
COc1cc([C@@H]2c3cc(O)c(OC)c(OC)c3C[C@H](CO)[C@@H]2CO)ccc1O	2356504369	OBUSAZWHMNFNLX-XFHNUULXSA-N	390.432	2.029	0	1	GEAF	
COc1cc(O)cc([C@@H]2O[C@H](c3ccc(O)c(OC)c3)[C@H](CO)[C@@H]2CO)c1	2356506322	JUDXJGZHVSKZFH-GJJHYRHESA-N	376.405	2.145	0	1	GEAF	
C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc3c(c2)CCN3C(=O)CCC(=O)O)C1	6736728	KEPJDIUPBMYQFQ-OKILXGFUSA-N	394.493	2.107	0	3	GEAF	
CCOC(=O)C1=C(C)N(CCCC(=O)O)C(=O)N[C@@H]1c1cccc(OC)c1	13125887	KYQXOEBSULDKMP-QGZVFWFLSA-N	376.409	2.463	0	3	GEAF	
COc1ccccc1CNS(=O)(=O)c1cc(NC(C)=O)c(OC)cc1OC	73258987	DDDZVZVYHMJWGH-UHFFFAOYSA-N	394.449	2.149	0	1	GEAF	
Cc1ccccc1-c1nc(C(=O)N2CCC[C@H](C(=O)N3CCCNCC3)C2)co1	82069498	XWBSBRYKVZZFPZ-KRWDZBQOSA-N	396.491	2.324	0	1	GEAF	
O=c1cc(N2CCOCC2)[nH]c(Cc2nc3c(Br)cccc3o2)n1	84758373	IFSSAUGSPHWEQC-UHFFFAOYSA-N	391.225	2.101	0	1	GEAF	
N=C(N)c1cccc(NC(=O)CNS(=O)(=O)c2ccc3ccccc3c2)c1	95566162	MMTWWBUYKWKDSU-UHFFFAOYSA-N	382.445	2.041	0	1	GEAF	
COCc1cccc(NS(=O)(=O)c2ccc(OC)c(N3CCNCC3)c2)c1	95571900	XEWJSSOUGIQHGB-UHFFFAOYSA-N	391.493	2.052	0	1	GEAF	
Cc1cc(Nc2nc(N[C@@H](C)c3ncc(F)cn3)cc(N3CCOCC3)n2)n[nH]1	96269738	FSGWUHMHSBTDLW-LBPRGKRZSA-N	399.434	2.191	0	1	GEAF	
O=c1cccc2n1C[C@H]1C[C@H]2CN(Cc2nnc(-c3ccc4c(c3)OCO4)o2)C1	102219096	FTKVAEAZIKGCJX-ZFWWWQNUSA-N	392.415	2.246	0	1	GEAF	
NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3C(=O)CNC3=O)cc2n1	205665025	SDKAMLLPUNVLLN-UHFFFAOYSA-N	378.363	2.192	0	1	GEAF	
O=C(Nc1ccn[nH]1)c1cccc(OC[C@@H](O)CN2CCc3ccccc3C2)c1	219779285	UUNMSKAYVXILBT-IBGZPJMESA-N	392.459	2.460	0	1	GEAF	
CCn1ncc(-c2nc3c(N[C@@H]4CC(=O)N(CC(C)C)C4)ncnc3n2C)c1C	220311934	CBJZJWGYMFLHTH-CQSZACIVSA-N	396.499	2.224	0	1	GEAF	
OCCCOc1cccc2c1cnn2-c1ccnc(N[C@H]2CC[C@H](O)CC2)n1	299845717	SPBVUOILOVHJPD-SHTZXODSSA-N	383.452	2.292	0	1	GEAF	
COc1ccc(S(=O)(=O)N[C@H](c2nc3cccc(F)c3[nH]2)[C@@H](C)O)cc1	586938830	RMDLKYGCPKQZLX-BMIGLBTASA-N	379.413	2.111	0	1	GEAF	
COC(=O)c1ccc2nc(CN(C)S(=O)(=O)c3ccc(F)cc3)[nH]c2c1	587169684	HPTIMOQUIAYYEH-UHFFFAOYSA-N	377.397	2.309	0	1	GEAF	
C[C@@H]1N[C@H](CCCCCCCCC[C@H](O)CC(=O)O)[C@@H](N2CC=NC2)C[C@H]1O	2356840405	MQJRCFDXPXHVHL-UHZRXMQZSA-N	397.560	2.157	0	1	GEAF	
O=C1Nc2ccc(Cl)cc2C(c2ccccc2Cl)=N[C@@H]1OC[C@@H](O)CO	2002543	RUZTZHORWNXEDM-BBATYDOGSA-N	395.242	2.479	0	1	GEAF	
COc1ccc(S(=O)(=O)NCc2ccc3c(c2)CCN3C(C)=O)cc1OC	8599294	OZFFYBJCTSPLTM-UHFFFAOYSA-N	390.461	2.091	0	1	GEAF	
COC(=O)[C@H]1C[C@@H](C(=O)O)Nc2cc(Cl)cc(I)c21	13455171	FBBUJQUXLXQMFM-RCOVLWMOSA-N	395.580	2.470	0	1	GEAF	
C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)N[C@H](C)[C@@H](O)c1ccccc1	13649024	YHIDQBIFQWZPKR-QHRIQVFBSA-N	376.403	2.250	0	1	GEAF	
O=C(/C=C/c1ccc(CNCCN2CCOCC2)cc1)NCCc1ccccc1	45230048	WDRZSGWXVQAOGA-ZHACJKMWSA-N	393.531	2.481	0	1	GEAF	
O=C1C(SCCO)=C(SCCO)C(=O)N1c1ccc2ccccc2c1	49808381	OLIOIHSQEVQUSK-UHFFFAOYSA-N	375.471	2.376	0	1	GEAF	
C/C=C/c1ccc([C@@H]2[C@H](CO)N(Cc3cncnc3)C23CN(C(C)=O)C3)cc1	95794861	OKGOKMQKHVVHPO-ZCWZMJLSSA-N	378.476	2.071	0	1	GEAF	
O=c1oc2cc(O)c(CC=C(CO)CO)cc2cc1-c1cc2c(cc1O)OCO2	141162012	AFXMCBNNDAWVHC-UHFFFAOYSA-N	398.367	2.053	0	1	GEAF	
O=C(c1ccc2nc(-c3ccc(F)c(F)c3)[nH]c2c1)N1CCN(CCO)CC1	587145939	WGZHKDDKDKOHQE-UHFFFAOYSA-N	386.402	2.258	0	1	GEAF	
Cc1cc([C@@H]2CCN(C(=O)OC3[C@H]4CC5C[C@H]3CC(C(N)=O)(C5)C4)C2)nn1C	1772570086	ODESRWWBUSTUBO-KAJXUDMZSA-N	386.496	2.335	0	1	GEAF	
CC(=O)C1(c2ccccc2)CCN(C(=O)c2ccc(S(N)(=O)=O)cc2)CC1	1857619186	OAGFMYNXEMDIGA-UHFFFAOYSA-N	386.473	2.097	0	1	GEAF	
CS(=O)(=O)c1n[nH]c(-c2ccc(=O)n(Cc3ccc(Cl)c(Cl)c3)c2)n1	1857636855	PSISUWMPRWOLOZ-UHFFFAOYSA-N	399.259	2.392	0	1	GEAF	
COC(=O)C[C@H](O)C[C@H](O)CC[C@@H]1c2ccc(C)cc2[C@H](OC)[C@H](O)[C@H]1C	2356600873	CUCVIRMSOSHTLP-DGOQBTSCSA-N	380.481	2.232	0	1	GEAF	
COc1cc2c(cc1OC)[C@]13CCN4C[C@@H]5C=CO[C@@H]6CC(=O)N2[C@H]1[C@@H]6[C@H]5C[C@H]43	2356766572	OQWSVCXXAYKEFF-WBKBYTDASA-N	394.471	2.313	0	1	GEAF	
CCCCCCN1CCN([C@@H]2CN(Cc3ccccc3)S(=O)(=O)C2)CC1	72136163	NWMRBVLANLJULX-HXUWFJFHSA-N	379.570	2.399	0	3	GEAF	
CCc1ccccc1-n1c(C)cn2c3c(=O)n([C@@H](C)C(C)=O)c(=O)n(C)c3nc12	5144543	JJAQIMQJQZBJFK-ZDUSSCGKSA-N	393.447	2.159	0	1	GEAF	
CCOC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C	28012671	FOQFTNGVLMVBTQ-BXWFABGCSA-N	386.533	2.018	0	1	GEAF	
CCCCOC(=O)COC(=O)CNC(=O)c1csc(-c2ccccc2)n1	82072231	VTNCIOZYLUHVIK-UHFFFAOYSA-N	376.434	2.426	0	1	GEAF	
CO[C@@H]1CCC[C@@H]([C@H](C)Nc2nc(N3CCC(C(N)=O)CC3)ncc2C)C1	82203969	RDIGOLSUIFLSDB-USXIJHARSA-N	375.517	2.492	0	1	GEAF	
CCCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@H]2N1CCC	95880817	AXLRHAPRWRTWRE-RMVXJAJNSA-N	399.535	2.315	0	1	GEAF	
O=C(Nc1ccc([C@H]2CNCCO2)cc1)c1ccn(-c2cncc(Cl)n2)n1	150217603	UMIXDUAQQMQVDI-OAHLLOKOSA-N	384.827	2.229	0	1	GEAF	
C/C=C(/C)C(=O)OC[C@](O)(CO)c1ccc(COC(=O)[C@H](C)CC)cc1O	238734252	MGRZDBBGCVUJJM-AMUOLAGCSA-N	380.437	2.171	0	1	GEAF	
C/C=C(\C)C(=O)N1C[C@H](OCCCc2ccccc2)C[C@H]1C(=O)N[C@H](C)CO	299875980	DVZGHGCCBKFRTA-QRZGAMAGSA-N	388.508	2.069	0	1	GEAF	
COC(=O)c1ccc2nc(CCS(=O)(=O)c3ccc4c(c3)CCC4)[nH]c2n1	586922633	QSCAKVFGWGVMKJ-UHFFFAOYSA-N	385.445	2.250	0	1	GEAF	
CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3cc(-n4cnnn4)ccc3[nH]2)cc1	586940157	WDTJGJPGRZESSB-LBPRGKRZSA-N	397.464	2.282	0	1	GEAF	
O=C1C[C@H](c2nc3c(O)nc(S)nc3[nH]2)CN1Cc1ccc(F)cc1F	587150213	QQYUMDQKIMBMKK-QMMMGPOBSA-N	377.376	2.142	0	1	GEAF	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C)nn([C@H]3CCS(=O)(=O)C3)c1C)O2	587408843	DSSAWOBTLIAYLT-SUMWQHHRSA-N	389.477	2.457	0	1	GEAF	
O=C1C[C@@]2(C=C(CN3CCOCC3)OCC2=O)Oc2c1ccc1c2CCCC1	587519142	VEAWKOCVKITLJE-JOCHJYFZSA-N	383.444	2.085	0	1	GEAF	
O[C@H]1CCCC[C@@H]1N1CCN(c2ncnc3c2cnn3-c2ccccc2)CC1	653745734	PFLHVJRFAPQYCV-OALUTQOASA-N	378.480	2.241	0	1	GEAF	
CCn1ncc2c1CC[C@H](N=c1nc3c(-c4cnccc4OC)cccn3[nH]1)C2	1857637766	ZPVUQEALFZYDMU-HNNXBMFYSA-N	389.463	2.408	0	1	GEAF	
COc1cc([C@H](OC)[C@H](CO)Oc2ccc(CCCO)cc2OC)ccc1O	2356398667	YTOZANXGUBLEJM-SFTDATJTSA-N	392.448	2.462	0	1	GEAF	
C[C@@H]1OC(c2ccccc2O)=N[C@@H]1C1=N[C@H](C2=N[C@@H](C(=O)O)CS2)CS1	2356453843	OFLSZRFPWRAFSU-MGAJZRQESA-N	391.474	2.039	0	1	GEAF	
COc1ccc(-c2onc(C(C)(C)C)c2C(=O)NCCO)c(OC)c1OC	2483809	BXKCPPHKYZASOH-UHFFFAOYSA-N	378.425	2.387	0	1	GEAF	
COC(=O)C1=C(C(=O)OC)c2cc(OC)ccc2[C@H](C(=S)N(C)C)S1	6001725	DEKUESWYQJAQCF-CYBMUJFWSA-N	381.475	2.429	0	1	GEAF	
CC(C)(CO)Nc1nc(-c2cccc(O)c2F)c2c(N)c(C(N)=O)sc2n1	73223466	ZHZSFNJGNIJMDB-UHFFFAOYSA-N	391.428	2.067	0	1	GEAF	
CNC(=O)Nc1ccc(-c2nc(N3C[C@H]4CC[C@H](C3)O4)c3cnn(C)c3n2)cc1	101313160	APYPCVRCUBVUDW-HUUCEWRRSA-N	393.451	2.149	0	1	GEAF	
CCO[C@@H]1C([N+](=O)[O-])=C2N(Cc3ccc(Cl)nc3)CCN2[C@@]1(C)OCC	103184800	SAGYHGVAVOEZDM-WBVHZDCISA-N	382.848	2.470	0	1	GEAF	
O=C1CN=C(n2cnc(C3CC3)c2)C=C2c3cccc(-n4nccn4)c3CCN12	149126320	SVHKPEJITHDSLI-UHFFFAOYSA-N	385.431	2.027	0	1	GEAF	
COCCCOc1cc(OC)cc([C@@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)c1	203695987	DQPGEBYGTNTVFC-FOIQADDNSA-N	392.496	2.151	0	1	GEAF	
Clc1cncc(-c2cc3c(cn2)cnn3-c2cccc(N3CCNCC3)n2)n1	224870783	ZOHXDWMYFQLOMC-UHFFFAOYSA-N	392.854	2.336	0	1	GEAF	
CCCO[C@H]1C([N+](=O)[O-])=C(N(CC)Cc2ccc(Cl)nc2)N(C)[C@]1(C)O	299849062	ZSYFDJMHUUBBIL-DOTOQJQBSA-N	384.864	2.452	0	1	GEAF	
Cn1cnc(C(=O)N2CCN3C(=O)c4ccncc4[C@]23c2ccc(Cl)cc2)c1	299871600	YUNKRXBYWGIRFA-FQEVSTJZSA-N	393.834	2.281	0	1	GEAF	
Oc1nc(O)c(I)c(-c2nc3cc(F)c(F)cc3[nH]2)n1	587183282	XFLRFFLJRKQTCH-UHFFFAOYSA-N	390.087	2.314	0	1	GEAF	
CC(=O)C(C(C)=O)[C@@]1(C)N[C@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21	962708928	LDONCOUPWPOMSF-BBRMVZONSA-N	375.318	2.453	0	1	GEAF	
NC(=O)[C@H]1Nc2ccccc2[C@@]2(NCCc3c(Cl)cc(Cl)cc32)C1=O	963106330	KVJGKLXSZSGVKB-YJBOKZPZSA-N	376.243	2.231	0	1	GEAF	
NCc1cc(O[C@H]2CCCN(C(=O)c3cncnc3)C2)nc(C(F)(F)F)c1	1857535611	WGCOQYDRMPFAMN-ZDUSSCGKSA-N	381.358	2.033	0	1	GEAF	
COc1cc(F)ccc1N=c1nc[nH]c2sc(C(=O)NCCCO)c(C)c12	1857591632	NEGBYLTZWTXGBR-UHFFFAOYSA-N	390.440	2.425	0	1	GEAF	
N[C@H](O)[C@@H]1S[C@H](N2CCOCC2)C[C@H]1OCC(F)(F)C1CCCCC1	1857641218	FRWMPIYMGIKTCB-QKPAOTATSA-N	380.501	2.028	0	1	GEAF	
NC(=O)c1cccc(CNC(=O)[C@H](CC2CCCCC2)NC(=O)c2ccno2)c1	1911575669	YFPZBIUACBDGIM-KRWDZBQOSA-N	398.463	2.159	0	1	GEAF	
O=C(CCc1nc(-c2ccc(O)cn2)no1)Nc1cn(C2CC2)cc1C(=O)O	1911586389	GYRWDLQGHXJFGO-UHFFFAOYSA-N	383.364	2.243	0	1	GEAF	
COc1ccccc1C(=O)N[C@@H]1[C@H](c2ccc(C(F)(F)F)nc2)C[C@@H](O)[C@H]1O	2356286533	CZQCHKLSPFUMAG-NSNWQYSKSA-N	396.365	2.117	0	1	GEAF	
COC(=O)[C@]1(C)CCC[C@@]2(CO)[C@@H]1CC[C@H]1[C@@H](C)C3=CC(=O)O[C@@]3(O)C[C@H]12	2356332078	ANVFGLCWJQWCRP-SHLRSRLZSA-N	378.465	2.182	0	1	GEAF	
NC(=O)NCCn1cc(C(=O)[C@@H]2CS[C@H](c3cccnc3)N2)c2ccccc21	13737501	QPPWBCYFCAXEDY-QFBILLFUSA-N	395.488	2.291	0	1	GEAF	
NC(=O)[C@H]1Cc2c(ncn2Cc2ccccc2)CN1C(=O)Nc1ccccc1	26968632	SZTPYZAXKRQVAC-LJQANCHMSA-N	375.432	2.376	0	1	GEAF	
C[C@H]1CN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C(C)(C)CF)C[C@@H]1N	27194396	BSTXFOJOYQKMMX-HZMBPMFUSA-N	379.407	2.327	0	1	GEAF	
O=C(/C=C/c1ccccc1)O[C@H](c1ccccc1)[C@H]1O[C@@H]2CC(=O)O[C@@H]2[C@H]1O	35078434	GDYNBHXFRSGEGM-IBXQNDSPSA-N	380.396	2.428	0	1	GEAF	
CNC(=O)Cn1c(=O)n(C2CCN([C@H]3C[C@H]4CC[C@@H]3C4)CC2)c2ccccc21	49048649	HPUKHZULLSYZHF-YRNRMSPPSA-N	382.508	2.375	0	1	GEAF	
O=C(CN1COc2cc3c(cc2C1=O)O[C@@H]1CCCN1C3=O)c1ccccc1	72126087	YUVDEHLBXSVMPH-LJQANCHMSA-N	378.384	2.316	0	1	GEAF	
Cc1ncsc1CCn1c(=O)c(NCCC(C)C)c2n(c1=O)[C@H](C)CN2	82211669	UDSVAJSFEPCFFE-GFCCVEGCSA-N	377.514	2.462	0	1	GEAF	
COC[C@H](C)Oc1ccc2[nH]nc(-c3cc(N4CCN(C)CC4)ncn3)c2c1	225552490	QKXFPJCLBWJIGP-AWEZNQCLSA-N	382.468	2.185	0	1	GEAF	
COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2cccc(S(N)(=O)=O)c2[nH]1	586915286	CCSMZEGWYQSAER-ORAYPTAESA-N	385.445	2.427	0	1	GEAF	
COC(=O)c1ccccc1CN1CCN(C(=O)COc2ccccc2OC)CC1	653704602	KHNKQTJWTSZXOJ-UHFFFAOYSA-N	398.459	2.205	0	1	GEAF	
C[C@H](c1nc(O)c2cnn(C3CCCC3)c2n1)N1CC(Oc2ncccn2)C1	1772644160	YFLRWBCQIACXIL-GFCCVEGCSA-N	381.440	2.261	0	1	GEAF	
CCc1nc2ccc(C(=O)NCCCN3CCCC3=O)cn2c1N(CC)C(C)=O	61908387	USUSXVUZYSTOMB-UHFFFAOYSA-N	399.495	2.012	0	3	GEAF	
C[C@H](NC(=O)c1[nH]cnc1C(=O)Nc1ccccc1F)C(=O)OC(C)(C)C	61922189	NCUWZEAWFZIEKP-JTQLQIEISA-N	376.388	2.261	0	3	GEAF	
CC(C)OC(=O)[C@H]1[C@H](c2cccc(O)c2)[C@@H](C(=O)OC(C)C)C(=O)C[C@@]1(C)O	2121510	CAFOTFFMGDOWMH-BMQTXXJKSA-N	392.448	2.335	0	1	GEAF	
COC(=O)[C@@]1(C)N[C@H](c2ccccc2C)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21	12496990	RHVGEUXBJDKUEV-FBAVSBLXSA-N	378.428	2.377	0	1	GEAF	
COc1ccc(CNCc2cc(C)no2)cc1OC[C@@H](O)CN1CCCC1	12756593	YGEHUSSSXHDQTM-KRWDZBQOSA-N	375.469	2.117	0	1	GEAF	
O=C(c1ccc(OCCCN2CCN(C(=O)C[C@H]3CCCN3)CC2)cc1)C1CC1	13444871	ABEZUHIZVKNNOT-HXUWFJFHSA-N	399.535	2.335	0	1	GEAF	
C[C@H](NC(=O)OCc1ccccc1)[P@](=O)(O)C[C@@H](CCC(=O)O)C(=O)O	25109960	PBRHWMMNEISHGS-DGCLKSJQSA-N	387.325	2.095	0	1	GEAF	
CC1=C(C(=O)O)N2C(=O)[C@@H](Nc3cc[n+](Cc4ccccc4)cc3)[C@H]2SC1	27524060	FENGGOHHDWDKFZ-VQIMIIECSA-O	382.465	2.077	0	1	GEAF	
Cn1cc(NC(=O)c2ccc(CN)cc2)cc1C(=O)Nc1ccc(CN)cc1	27643958	IIVDTNZRNBSJES-UHFFFAOYSA-N	377.448	2.447	0	1	GEAF	
COC(=O)C1=CC[C@]23CC[C@H]([C@@]2(OC(C)=O)CC1)[C@@](C)(CCC(=O)O)OC3=O	28966478	IQFROZIBHYYWNH-PSAKCFHXSA-N	394.420	2.148	0	1	GEAF	biogenic
O=c1[nH]c2sccc2c(=O)n1CCN1CCN(c2ccccc2Cl)CC1	29479175	BVYSBGGGFPCSKV-UHFFFAOYSA-N	390.896	2.227	0	1	GEAF	
COC(=O)[C@@H]1C[C@@H](O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C	40567168	BLTMVAIOAAGYAR-GKRPYSMHSA-N	390.432	2.429	0	1	GEAF	
N[C@H](Cc1ccccc1)C(=O)N[C@@H]1N=C(c2ccccc2)c2ccccc2NC1=O	95610245	IZFLEKMFQRVPCL-KNQAVFIVSA-N	398.466	2.488	0	1	GEAF	
OCC1CCN(c2nccnc2C2CN(c3ccc4cccnc4n3)C2)CC1	144483047	XRUBTENLJHTHNN-UHFFFAOYSA-N	376.464	2.232	0	1	GEAF	
Cc1c(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3[C@H]3C[C@@H]32)c(=O)n(-c2ccccc2)n1C	169693287	QKMUGOSVGDEHFO-ARAZSQDJSA-N	375.428	2.042	0	1	GEAF	
Cc1cc(Nc2nc(N[C@@H]3CCCC[C@@H]3N)nnc2C(N)=O)cc2cccnc12	205145605	OYCGQIRHZRXPPO-LSDHHAIUSA-N	392.467	2.253	0	1	GEAF	
C/C=C(/C)C(=O)O[C@H]1C2=C(C)C(=O)O[C@@]2(O)C[C@H]2CCC[C@@H](C(=O)O)[C@]21C	238777802	XZBCMOCFJJECSB-UOYJOGFISA-N	378.421	2.337	0	1	GEAF	
CCCCS(=O)(=O)N[C@@H](c1nc2ccc(S(=O)(=O)O)cc2[nH]1)C(C)C	586933280	OTDTTZDERLKRQH-CQSZACIVSA-N	389.499	2.226	0	1	GEAF	
O[C@H]1C[C@@]2(n3cnc4c(NCc5ccccc5F)nc(Cl)nc43)C[C@H]2[C@H]1O	1772620652	ZWLUSVREMOHISC-XFFUPTALSA-N	389.818	2.072	0	1	GEAF	
OC[C@H]1[C@H](Cc2ccnc(-c3cccnc3)n2)[C@@H](NC2CCCCC2)C[C@H]1O	2356288619	IAFYNFFDTUUFOL-XSDIEEQYSA-N	382.508	2.361	0	1	GEAF	
C[C@@H](O)c1onc(-c2ccc(F)cc2)c1C(=O)N1CCN(c2ncccn2)CC1	2356690380	UZIGPYLGHCEYMM-CYBMUJFWSA-N	397.410	2.286	0	1	GEAF	
O=C(N[C@H]1CCCc2ccccc21)C1CCN(S(=O)(=O)c2c[nH]cn2)CC1	5155465	PBHAFCFWZRJQJY-KRWDZBQOSA-N	388.493	2.004	0	3	GEAF	
Cc1ccc(S(=O)(=O)N2[C@@H](CO)CO[C@H]2CC(=O)c2ccc(F)cc2)cc1	169342025	DEWVRHAQMHABDQ-LPHOPBHVSA-N	393.436	2.115	0	3	GEAF	
N[C@H](CC1CCCCC1)C(=O)N1CCC[C@H]1C(=O)NCCCCc1c[nH]cn1	26663173	KUPXJGCUNYIDFM-MOPGFXCFSA-N	389.544	2.137	0	1	GEAF	
CN1C[C@H](C(=O)N2CCN(c3ccccn3)CC2)C[C@@H]2Cc3ccccc3C[C@H]21	28949857	AGOCNFSXCAGJEC-BHDDXSALSA-N	390.531	2.466	0	1	GEAF	
CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)O)O[C@H]1CO2	95888591	AQKQROKSGQSFNM-LXZKKBNFSA-N	390.436	2.281	0	1	GEAF	
NC(=O)c1cnc(NC(=O)N2CCC(N3CCc4ccc(F)cc43)CC2)s1	103241479	ZAEWBOABWMCJCU-UHFFFAOYSA-N	389.456	2.440	0	1	GEAF	
COC(=O)c1ccc2nc(COc3ccc(S(=O)(=O)N(C)C)cc3)[nH]c2c1	586931873	NSOJZJOKJNAVCW-UHFFFAOYSA-N	389.433	2.179	0	1	GEAF	
Sc1nc(S)c2nc(-c3cnn4cc(Br)cnc34)[nH]c2n1	587008698	NKSFBKNIIWDATO-UHFFFAOYSA-N	380.256	2.403	0	1	GEAF	
O=C(c1ccc(Cl)cc1)N1C[C@H]2COCCN2C2(C1)CN(C1CCC1)C2	2356289470	WFNOKSGVNPYILA-SFHVURJKSA-N	375.900	2.104	0	1	GEAF	
C=c1cc2c(o1)=C[C@@H]1[C@@H]([C@@H]2C)[C@H](O)C[C@]2(O)C(C)(C)CC[C@H](OC(C)=O)[C@@]12C	2356459977	GKDZFZCQXJRZKI-WJERSBFPSA-N	388.504	2.074	0	1	GEAF	
COC(=O)C[C@H](O)C[C@H](O)CC[C@@H]1c2ccc(C)cc2[C@H](OC)[C@@H](O)[C@H]1C	2356600874	CUCVIRMSOSHTLP-NQHKDBRISA-N	380.481	2.232	0	1	GEAF	
C[C@@H]1CN(C=O)[C@@H]2[C@@H]1CC[C@]1(CO)C(=O)CC[C@H]3CCC=C3[C@@]21CCC(=O)O	2356690260	QRJZOBVZBAQMAH-YPPCIFSYSA-N	389.492	2.402	0	1	GEAF	
N[C@H](C(=O)N1CC[C@@H](F)C1)[C@H]1CC[C@H](NC(=O)OCc2ccccc2)CC1	100988865	ZMAHAONSAMATES-BDXSIMOUSA-N	377.460	2.369	0	1	GEAF	
CC[C@H](C)[C@@H]1NC(=O)C(SCC(=O)NCc2ccc3c(c2)OCO3)=C1O	100603462	UKJBYOMODXGBAG-BONVTDFDSA-N	378.450	2.079	0	1	GEAF	
O=C(Nc1cnccn1)Nc1cccc2c1[C@@H]1CC3(CCN1C2=O)OCCO3	116939303	DATQQCAISHVBKS-AWEZNQCLSA-N	381.392	2.154	0	1	GEAF	
COc1cc(O)c([C@H]2Oc3cc(OC)c(OC)c(O)c3C(=O)[C@H]2OC)cc1O	2356589664	NHPWTKFADZKYEO-IEBWSBKVSA-N	392.360	2.161	0	1	GEAF	
NC(=O)[C@@H]1CCCN1C(=O)CCCNC(=O)c1ccc(-c2ccccc2)cc1	84732770	LMSJUNRXHYYFJC-IBGZPJMESA-N	379.460	2.340	0	1	GEAF	
CCC(=O)N1[C@@H]2CN(C(=O)c3cccc(OC)c3)c3ccccc3[C@@H]2[C@@H]1CO	95893726	ZJRRQMKFLFNQOL-DYXWJJEUSA-N	380.444	2.421	0	1	GEAF	
COc1c(O)cc2c(c1O)C(=O)O[C@H](C)[C@@H]2c1c(O)cc(O)cc1CC(C)=O	31165331	WWRKPZJOLNCLEL-PSLIRLAXSA-N	388.372	2.340	0	1	GEAF	biogenic
O=C1c2ccccc2S(=O)(=O)N1CCCN1CCN(Cc2ccccc2)CC1	299822908	QAIWZTHCSZUWAW-UHFFFAOYSA-N	399.516	2.039	0	1	GEAF	
COc1cccc(OC)c1C(=O)Nc1c[nH]nc1C(=O)NCc1ncccc1C	299819733	FGSXBNALMJRFIO-UHFFFAOYSA-N	395.419	2.313	0	1	GEAF	
Nc1nc(O)c2nc([C@@H](N)CCC(=O)Nc3ccc4ccccc4c3)[nH]c2n1	587258767	SFQJUAWXSXXTKN-ZDUSSCGKSA-N	377.408	2.213	0	1	GEAF	
CCOC(=O)CCOCCCOCCc1nc2cc3c(cc2[nH]1)NC(=O)CC3	587570036	UEBOOOYAEHPDSH-UHFFFAOYSA-N	389.452	2.367	0	1	GEAF	
CC(=O)C(C(C)=O)[C@]1(C)N[C@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21	962708931	LDONCOUPWPOMSF-XJKSGUPXSA-N	375.318	2.453	0	1	GEAF	
N=C(NCCCN1CCCC1)NCc1ccc(I)cc1	13809064	HNNMWVRDGFJHAW-UHFFFAOYSA-N	386.281	2.391	0	1	GEAF	
CCc1cc(C(C)=O)c(O)cc1OCc1cccc(C(=O)N[C@H](C)C(=O)O)n1	28469216	PWGHBWNHVJNBNN-LLVKDONJSA-N	386.404	2.334	0	1	GEAF	
CCOCCn1nc(C)c2nc(N3CCNCC3)nc(Nc3cccc(C)n3)c21	35847748	XCUNWJSUUNZLPM-UHFFFAOYSA-N	396.499	2.028	0	1	GEAF	
COc1cc2c(cc1OC)[C@@H](O)[C@H]1c3ccc(OC)c(OC)c3CC(=O)N1CC2	39062402	NGQVCVNGCPSBRV-NHCUHLMSSA-N	399.443	2.437	0	1	GEAF	biogenic
CCN(CC)CCNC(=O)c1ccc(/C=C2\C(=O)Nc3ccc(F)cc32)[nH]c1=O	73160925	FOPZLOQPIGVVCD-ATVHPVEESA-N	398.438	2.078	0	1	GEAF	
CCN(C)c1ncc(C(=O)N2CCN(C(C)=O)CC2)c(-c2ccccc2F)n1	82152594	YCQZQRMHLGHGQR-UHFFFAOYSA-N	385.443	2.043	0	1	GEAF	
COC1CCC2(CC1)Oc1ccc(Br)cc1[C@@]21N=C(N)N(C)C1=O	201212495	XFTXOVBUZBRHQH-XCKKERBNSA-N	394.269	2.151	0	1	GEAF	
Nc1cc(F)ccc1NC(=O)c1cnc2c(ccn2CCN2CCOCC2)c1	212346227	YCCFSYIBQFCOEV-UHFFFAOYSA-N	383.427	2.342	0	1	GEAF	
CN(C)C(=O)c1ccc2nc(CN(C)S(=O)(=O)c3ccc(F)cc3)[nH]c2c1	587171019	WEVXVOMLODBBJG-UHFFFAOYSA-N	390.440	2.225	0	1	GEAF	
COC(=O)CC[C@@]1(C(=O)OC)N[C@@H](C)Cc2cc(Br)c(F)cc21	587805165	GZQBJIGFXNNRGP-XXFAHNHDSA-N	388.233	2.444	0	1	GEAF	
Cc1ncc(Cn2cc(CSc3nnc(-c4ccccc4F)o3)nn2)c(N)n1	653742682	QWEYGVYTWXGPGO-UHFFFAOYSA-N	398.427	2.488	0	1	GEAF	
Cc1cc(C)n2nc(CC(=O)N3c4nc5ccccc5n4CC3(C)C)nc2n1	1857564421	NNWOLFILZSRDHO-UHFFFAOYSA-N	375.436	2.459	0	1	GEAF	
CCC(C)=CC(=O)O[C@H]1[C@H](O)C=C(C(=O)OC)C[C@H]1OC(=O)C=C(C)CC	2356374893	JBACGGCHMOGCEM-MDZRGWNJSA-N	380.437	2.387	0	1	GEAF	
O=C(NC[C@@H]1COc2ccccc2O1)c1ccc(NC(=O)[C@H]2CCCO2)cc1	4079420	YGDUZEWCOWEVDK-VQIMIIECSA-N	382.416	2.374	0	3	GEAF	
CCCCCCN1CCN([C@@H]2CN(CCc3ccccc3)S(=O)(=O)C2)CC1	95571558	LHTJATDAZULNRX-OAQYLSRUSA-N	393.597	2.441	0	3	GEAF	
O=C(NCc1cccs1)[C@@H]1[C@H]2C=C[C@]3(CN(Cc4cccs4)C(=O)[C@H]13)O2	4129012	DXCOMXHKAVHGJW-OAFZBRQQSA-N	386.498	2.408	0	1	GEAF	
COC(=O)[C@@]12C[C@@H]3C[C@H]([C@H](C)O)[C@H]1N(CCc1c2[nH]c2ccc(OC)cc12)C3	6437343	OYMQKBZMKFJPMH-CBFNZEKHSA-N	384.476	2.235	0	1	GEAF	
COC(=O)c1nc(Cl)c(NC2CCN(C(=O)OC(C)(C)C)CC2)nc1N	27526012	LWCBKDNDBJPMDB-UHFFFAOYSA-N	385.852	2.310	0	1	GEAF	
CCCOP(=O)(OCCC)OC[C@H]1C=C[C@H](n2cc(C)c(=O)[nH]c2=O)O1	28226728	GAOCQDXSOXDCAW-ZIAGYGMSSA-N	388.357	2.277	0	1	GEAF	
CC[C@H]1C[C@@H]2C[C@@]3(C(=O)OC)c4[nH]c5ccc(OC)cc5c4[C@H]4O[C@@H]2N([C@@H]13)[C@@H]4O	71316979	VQGAYUYOVHVHFB-BCLNENTPSA-N	398.459	2.437	0	1	GEAF	
FC(F)(F)c1nc(NCCc2ccncc2)c2nnn(C[C@H]3CCCO3)c2n1	84690498	FMYDIXFGHGXAPR-GFCCVEGCSA-N	393.373	2.469	0	1	GEAF	
CCN(c1ccc(S(=O)(=O)c2ccc3c(c2)OCCO3)cc1)S(C)(=O)=O	95573495	ARQNZORFKOTGDI-UHFFFAOYSA-N	397.474	2.077	0	1	GEAF	
CC(C)c1cn(CC[C@@H]2CC[C@H](NC(=O)c3cccc(F)c3)[C@H](CO)O2)nn1	95675294	QKYXERGZTDIPLJ-LNLFQRSKSA-N	390.459	2.269	0	1	GEAF	
O=C(NCC[C@H]1CC[C@@H](NC(=O)C2CCCC2)[C@H](CO)O1)c1ccc(F)cc1	95903426	PCXDMLTYWGHPKQ-QRVBRYPASA-N	392.471	2.161	0	1	GEAF	
CN1CCN(CCCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@@H]2c2ccoc2)CC1	104187683	GDCOFKMRUHCEHA-TZIWHRDSSA-N	396.491	2.125	0	1	GEAF	
COc1ccc2c3c1O[C@H]1[C@H](O)C=C[C@@H]4[C@@H](C2)N([C@@H]2CCCC[C@@H]2O)CC[C@]341	169301628	ROOIUTBGPBWDFU-SYWNVSNQSA-N	383.488	2.175	0	1	GEAF	
CC1(C)Oc2c(O)cc([C@H]3CC(=O)c4c(O)cc(O)cc4O3)cc2[C@H](O)[C@H]1O	238748553	UHWLHTOOVRRTDW-DKSSEZFCSA-N	388.372	2.075	0	1	GEAF	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C)nn([C@@H]3CCS(=O)(=O)C3)c1C)O2	587408840	DSSAWOBTLIAYLT-DYVFJYSZSA-N	389.477	2.457	0	1	GEAF	
O[C@@H]1CCCC[C@H]1N1CCN(c2ncnc3c2cnn3-c2ccccc2)CC1	653745738	PFLHVJRFAPQYCV-RTBURBONSA-N	378.480	2.241	0	1	GEAF	
C[C@H](OCc1ccccc1)[C@@H]1NC(=O)[C@H]([C@@H](C)OCc2ccccc2)NC1=O	1857599143	TXQSDLJZBRRPJC-JSJNYSNDSA-N	382.460	2.180	0	1	GEAF	
COCCC(=O)N[C@@H]1CC[C@]2(C)CC[C@H]([C@H](C)C(=O)NC(C)C)[C@H](O)[C@H]2[C@@H]1C	2356321629	GNYWSBGVOXZDEV-XJAZXDLFSA-N	396.572	2.492	0	1	GEAF	
C[C@H](c1ccc(C=O)cc1)[C@@H]1[C@H]2C=C[C@H]3[N@]1[C@@]3(O)[C@@H]2[C@@H]1CC[C@@H]2[C@@H](O)CC[C@@H]2N1	2356352673	YGJQHYAOWQXDEG-AVAPKAKHSA-N	394.515	2.051	0	1	GEAF	
COC(=O)[C@H]1[C@@H](c2ccc(O)c(OC)c2)c2cc(O)c(OC)cc2C[C@H]1CO	2356566627	NREMFWIZQSDSDC-QTJFZDIUSA-N	388.416	2.201	0	1	GEAF	
CCO[C@@H]1CC[C@]2(CC(=O)c3cc(O)ccc3O)C(=O)OC[C@@]12C(OC)OC	2356586559	FKTBPUPWFHCNQN-UXPWSPDFSA-N	394.420	2.018	0	1	GEAF	
COc1ccc([C@H](O)[C@@H](CO)Oc2ccc(CCCO)cc2OC)cc1OC	14438058	HXOSLWKKWGVPFQ-RTWAWAEBSA-N	392.448	2.111	0	1	GEAF	biogenic
CCc1sc(NC(=O)NS(=O)(=O)c2cc(C)c(CCO)s2)nc1C	45368227	CKPJEUJAVPSMCJ-UHFFFAOYSA-N	389.524	2.429	0	1	GEAF	
CN(C)S(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]ccc3c2)c1F	72181321	JFDHRJUTXZULSI-UHFFFAOYSA-N	395.391	2.312	0	1	GEAF	
COCCCOc1cc(C)cc([C@@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)c1	203694291	ZYOFITUPGLXYMZ-OXQOHEQNSA-N	376.497	2.451	0	1	GEAF	
C[C@@H]1COC[C@@H](C)N1Cc1ccc2c(-c3cnn(C)c3)cc(C(N)=O)nc2c1	221616298	YGOWCGDKOMAQEC-ZIAGYGMSSA-N	379.464	2.343	0	1	GEAF	
CCn1cc(NC(=O)c2ccc(Cn3nc(C)cc3C)o2)c(C(=O)N(C)C)n1	299856814	CFBNOHGPNQJJGK-UHFFFAOYSA-N	384.440	2.312	0	1	GEAF	
CCOC(=O)CNc1ccc(-c2nc3cc(S(=O)(=O)O)ccc3[nH]2)cc1	587225434	RCBSQXMTDPBPDI-UHFFFAOYSA-N	375.406	2.452	0	1	GEAF	
Cc1nc(Nc2ncc(-c3ccncc3)s2)cc(N2CCN(CCO)CC2)n1	1857599893	YUFNNCBNQOTZPZ-UHFFFAOYSA-N	397.508	2.161	0	1	GEAF	
O=C(Cc1ccc(F)cc1)Nc1n[nH]c2ccc(N3CCCS3(=O)=O)cc12	29041378	JXSGQHRSUUOSAF-UHFFFAOYSA-N	388.424	2.423	0	1	GEAF	
CCc1c2c(nc3cc(O)ccc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC	80816825	BHLPPDHMSXQHQJ-QFIPXVFZSA-N	392.411	2.348	0	1	GEAF	
COc1cc2nc(NC[C@H](O)CO)nc(NC3CCCCC3)c2cc1OC	82124962	NQYRQYYEYMWTEN-ZDUSSCGKSA-N	376.457	2.157	0	1	GEAF	
CNC[C@H]1Oc2ncc(-c3ccccc3C)cc2C(=O)N([C@H](C)CO)C[C@H]1C	95715247	KRNBFKLEYNUIPW-JXXFODFXSA-N	383.492	2.497	0	1	GEAF	
O=C(C1CCC1)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2Cc1cccnc1	95794257	RIIURIOLGIGWDJ-NHCUHLMSSA-N	377.488	2.423	0	1	GEAF	
CC[C@@]1(C)NC(=O)c2cc(S(=O)(=O)N(C)c3ccccc3)ccc2NC1=O	96258739	NQSMOCNVMGUHFS-LJQANCHMSA-N	387.461	2.362	0	1	GEAF	
NS(=O)(=O)c1ccc(N(CC(F)(F)F)S(=O)(=O)c2ccccc2)cc1	103248840	MHENAGZWIDWQRK-UHFFFAOYSA-N	394.396	2.092	0	1	GEAF	
C[C@H]([C@H](O)CO)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4C[C@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@@]21C	118921474	TZBNXSSXVCJTTJ-UBSOWTSQSA-N	394.552	2.145	0	1	GEAF	
Cc1ncc(C)n2nc(CCc3nc(N4CCCC4)nn3CC(F)(F)F)nc12	210633333	MQAKCDIOOGJBLQ-UHFFFAOYSA-N	394.405	2.280	0	1	GEAF	
NC1=N[C@@]2(CO1)c1cc(-c3cncnc3)ccc1O[C@@H](CC1CC1)C21COC1	220721216	MSVXPEWIJQOLDG-RXVVDRJESA-N	378.432	2.262	0	1	GEAF	
C/C=C1/CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@H](N)C[C@@H]1[C@]2(CO)C(=O)OC	238763873	QMJONXXIALRJAC-CIIVQEOSSA-N	383.492	2.142	0	1	GEAF	
CNS(=O)(=O)N1CCC(c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)CC1	586954649	METRIZIZJOFQQF-UHFFFAOYSA-N	380.367	2.364	0	1	GEAF	
Nc1nccc2nc([C@@H](N)Cc3ccc(I)cc3)[nH]c12	587185882	OTNBACBZESYXDX-JTQLQIEISA-N	379.205	2.387	0	1	GEAF	
COc1ccc([C@@]2(CS(C)(=O)=O)CC(=O)c3cc(C)cc(N)c3O2)cc1	587406409	CDBJZJVUZHJJCS-IBGZPJMESA-N	375.446	2.491	0	1	GEAF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@@H]3[C@@H](C(=O)O)NC[C@H]32)N1	587798642	UXGDSONUDOCKIX-CUEWGXGFSA-N	383.261	2.400	0	1	GEAF	
CCOC(=O)CCC[C@@]1(C(=O)OCC)NCCc2ccc(C(=O)N(C)C)cc21	962931539	NXCIEHMAZQIXPJ-OAQYLSRUSA-N	390.480	2.026	0	1	GEAF	
CCCN1[C@H](C)Cc2ccccc2[C@]1(CC(C)=O)C1C(=O)N(C)C(=O)N(C)C1=O	963243034	RBNYDQVEVTXRGK-JLCFBVMHSA-N	399.491	2.184	0	1	GEAF	
NCCNC(=O)C(CN)(Cc1cc(F)cc(F)c1)Cc1cc(F)cc(F)c1	1857560895	XEIFJPZFEDLGHQ-UHFFFAOYSA-N	383.389	2.048	0	1	GEAF	
CC=C1CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@@H](N)C[C@H]1[C@]2(CO)C(=O)OC	2356434415	QMJONXXIALRJAC-PPULILFRSA-N	383.492	2.142	0	1	GEAF	
O=C([C@@H]1CCCN1S(=O)(=O)c1cccc2nsnc12)N1CCCCCC1	5068155	LZPOWFLROPUPQU-AWEZNQCLSA-N	394.522	2.247	0	3	GEAF	
O=C(Nc1nccs1)c1[nH]cnc1C(=O)N1CCN(c2ccccc2)CC1	61949436	ZLNGWMIKEGUEIX-UHFFFAOYSA-N	382.449	2.081	0	3	GEAF	
COCCN(Cc1ccco1)C(=O)Cn1ncc2c([nH]c3ccccc32)c1=O	6937845	ARWSYIZIUXBZPG-UHFFFAOYSA-N	380.404	2.146	0	1	GEAF	
N=C(N)c1ccc(CN2CCN(Cc3nc4cc(Cl)ccc4[nH]3)CC2=O)cc1	12354966	VFYPUDNGFNHFJW-UHFFFAOYSA-N	396.882	2.345	0	1	GEAF	
NC1CCC(CNC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCc3ccccc3C2)CC1	13555124	RBNXPGSRKWKQRH-IOXCNKERSA-N	383.536	2.416	0	1	GEAF	
CO[C@]12COC(=O)[C@H]1[C@@H](c1ccc3c(c1)OCO3)c1cc3c(cc1O2)OCO3	17249961	LKMOYPCVIIXXNG-NSHGMRRFSA-N	384.340	2.184	0	1	GEAF	
Nc1ncnc2c1ncn2[C@@H]1C=C[C@H](CO[P@](=O)(O)Oc2ccccc2)O1	26659436	NJHIDMZOPYPVEJ-OLZOCXBDSA-N	389.308	2.058	0	1	GEAF	
CC(=O)S[C@@H](C(=O)c1cccc(F)c1)[C@H](C)C(=O)N1CCC[C@H]1C(=O)O	27307199	PZYULGLJQCUJFF-JMPLFQLZSA-N	381.425	2.368	0	1	GEAF	
COc1cc(C2=NN(C(N)=S)[C@@H](Cc3ccccc3)C2)ccc1OCC(=O)O	28713525	QSSZUQNZSAPZRX-HNNXBMFYSA-N	399.472	2.423	0	1	GEAF	
CO[C@H]1[C@@H](OC)[C@@H](CC(C)C)O[C@@H](OCC(=O)O)[C@H]1OCc1ccccc1	53313189	FKKRIXVGUJIXBK-QDGKJQRMSA-N	382.453	2.474	0	1	GEAF	
O=C(CC1CC1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4cccnc4)cc3)[C@@H]2C1	95869565	DGHPVEHYJCHVCF-MZKRTTBSSA-N	391.471	2.046	0	1	GEAF	
O=C(NC[C@@H]1[C@@H](c2ccccc2)[C@H](CO)N1Cc1cccnc1)c1ccccn1	95895957	SYVBQOCIBBMOLP-BHIFYINESA-N	388.471	2.236	0	1	GEAF	
Cc1ccn2nc3c(c2n1)CN([C@H]1CO[C@H](c2cc(F)ccc2F)[C@@H](N)C1)C3	143046612	PWUZFAOLNAPJQJ-XVGQJIODSA-N	385.418	2.489	0	1	GEAF	
CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)N(CC)C[C@@H]1C(=O)OCC	587478177	RSYFYXAKYIUBQZ-VLIAUNLRSA-N	375.421	2.090	0	1	GEAF	
COc1cc2c(cc1OC)[C]1C(=c3c(OC)cc(OC)c(OC)c3=CN1C)C=C2	2356842496	KULQTXASRJBXPI-UHFFFAOYSA-N	394.447	2.171	0	1	GEAF	
CN1C(=O)[C@@H]2[C@H](N=C(/C=C/c3cccc(Br)c3)N2C)N(C)C1=O	40943749	QOHOUMPHJONRCD-JYASZMECSA-N	377.242	2.025	0	1	GEAF	
CC(=O)NCCNC(=O)c1cnc(N2C[C@@H](C)C[C@H](C)C2)nc1-c1ccccc1	82133894	BGZMKUGKNQMCIG-HOTGVXAUSA-N	395.507	2.492	0	1	GEAF	
CCCn1c(=O)c(NC(=O)c2ccco2)c2n(c1=O)[C@@H](c1ccccc1)CN2	82210447	WIIUYCAVBWEHOK-CQSZACIVSA-N	380.404	2.280	0	1	GEAF	
CC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](C)[C@@H](CN(C)C(=O)NC(C)C)O2	95662589	WVMKJRWCXHVTMG-FZKQIMNGSA-N	390.484	2.164	0	1	GEAF	
CC(C)c1cn(CC[C@H]2CC[C@H](NC(=O)c3cccc(F)c3)[C@@H](CO)O2)nn1	95675293	QKYXERGZTDIPLJ-ZIFCJYIRSA-N	390.459	2.269	0	1	GEAF	
CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN[C@@H](C)CO2	95688783	NSJHBAKZFARZIY-SUNYJGFJSA-N	377.485	2.129	0	1	GEAF	
C/C=C(/C)C(=O)O[C@@H]1CC[C@H](C)[C@@]2(C)[C@H](O)C3=C(C)C(=O)O[C@@]3(OC)C[C@@]12O	238772036	CDXRTRKAWMYIAC-NJJMGCRASA-N	394.464	2.012	0	1	GEAF	
O=C(CCc1ccccc1)N[C@H]1CC[C@](O)(c2cnc3[nH]c(=O)oc3c2)CC1	253660843	SKJPTQRULJBLIZ-NBEIKUQISA-N	381.432	2.395	0	1	GEAF	
CCOC(=O)[C@H](NC(C)=O)[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	587568758	DKRHUYPHHHSPQP-PBEJRMEISA-N	399.399	2.180	0	1	GEAF	
CC(C)(C)CCN[C@@H]1C[C@H](O)[C@@H](CO)[C@H]1Cc1ccnc(-c2cccnc2)n1	2356346361	PSWMFJGSRFRQBZ-WCIQWLHISA-N	384.524	2.465	0	1	GEAF	
NCCc1c[nH]c2ccc(OCC(=O)N3CCN(c4ccccc4)CC3)cc12	3811819	IPCSHRNCCTZQAU-UHFFFAOYSA-N	378.476	2.397	0	1	GEAF	
O=S(=O)(NCCNCCOCc1ccccc1)c1cccc2cnccc12	6745118	WICKFQQEEHRTMG-UHFFFAOYSA-N	385.489	2.320	0	1	GEAF	
CC(=O)NC[C@H]1CN(c2ccc(/C=C(\F)c3cnc(N)nc3)c(F)c2)C(=O)O1	26189827	HRYIXDJLBIYCLH-SMDZSXGUSA-N	389.362	2.127	0	1	GEAF	
CNC(=O)c1nn2c(c1O)C(=O)N(Cc1ccc(F)cc1)C[C@H]2c1ccccc1	29129128	VWLSMIZBQYLVLE-INIZCTEOSA-N	394.406	2.333	0	1	GEAF	
CCc1c(-c2ccc(N3C[C@H]4[C@H](N(C)C)[C@H]4C3)cc2)[nH]c(=O)c(C(=O)O)c1O	145399549	HLMXEYLPKAUUCG-HWWDLCQESA-N	383.448	2.004	0	1	GEAF	
CC(C)S(=O)(=O)N1CC[C@@H](Nc2ncccc2-c2cnc3[nH]ccc3n2)C1	169032839	NXHURUHKYZXIRH-CYBMUJFWSA-N	386.481	2.244	0	1	GEAF	
Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3c(O)nc(N)nc3[nH]2)cc1	586950583	ZLWJPUKKOZFJRM-UHFFFAOYSA-N	396.432	2.417	0	1	GEAF	
CC(C)(C)OC(=O)N(Cc1nc2c(O)nc(S)nc2[nH]1)C[C@H]1CCCO1	587197448	OZBLTQBSGGQILK-SECBINFHSA-N	381.458	2.263	0	1	GEAF	
COc1cc2c3c(c1)O[C@](C)(Cn1c(=O)oc(=O)c4ccccc41)[C@@H](C2)C3=O	587436957	WJWUABACVODNQY-LHSJRXKWSA-N	379.368	2.170	0	1	GEAF	
COc1cc(N2CC(Nc3ncnc4c3ccc3nnn(C)c34)C2)c(Cl)cn1	1911576111	MPKRVNWGGQKMHJ-UHFFFAOYSA-N	396.842	2.269	0	1	GEAF	
CC=C(C)C(=O)OC[C@@](O)(CO)c1ccc(COC(=O)[C@@H](C)CC)cc1O	2356483507	MGRZDBBGCVUJJM-RBZFPXEDSA-N	380.437	2.171	0	1	GEAF	
OCC(=CCc1cc2c(cc1O)OC[C@@H]1c3cc4c(cc3O[C@H]21)OCO4)CO	2356760625	ACXGNNSXQDOXDD-QVKFZJNVSA-N	384.384	2.184	0	1	GEAF	
Cc1ccc(CN2[C@@H](C(=O)NC3CCCC3)CSCCS2(=O)=O)cc1	96020329	MOVFTLJYNPQIPO-QGZVFWFLSA-N	382.551	2.301	0	3	GEAF	
Cc1ccc(C(=O)COC(=O)[C@@H](C)N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1C	990859	KLTXDFMSUAOPBW-XYYYAOKXSA-N	381.428	2.225	0	1	GEAF	
Nc1cc(NC[C@H]2CCCN2Cc2ccncc2)nc2nc(-c3ccco3)nn12	11689403	HYCVSVYCRRKBDU-OAHLLOKOSA-N	390.451	2.438	0	1	GEAF	
COc1ccccc1N1CCN(CCCNC(=O)c2cc3ccccn3n2)CC1	13491621	UMEFKDHFJIKPGP-UHFFFAOYSA-N	393.491	2.285	0	1	GEAF	
COC(=O)CN1CC[C@H](n2cc(-c3cccc(OC)c3)c3c(N)ncnc32)C1	27981490	IUHCHNLQYCBXNR-AWEZNQCLSA-N	381.436	2.109	0	1	GEAF	
CCOC(=O)CN1CCN(c2ncc(C)c(NC3CCC(C)CC3)n2)CC1	82212915	SDBWITRUPLPTPL-UHFFFAOYSA-N	375.517	2.461	0	1	GEAF	
O=C(O)C[C@H]1C[C@@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@@H]2[C@H](CO)O1	95899386	NDCVSESZJQEXEJ-OVLVRJBISA-N	390.436	2.220	0	1	GEAF	
NC(=O)c1c(-c2ccccc2)c(Cl)n2c1CN(C(=O)N[C@@H]1CCOC1)CC2	223400898	PYTHVMSMQAMHLV-CYBMUJFWSA-N	388.855	2.222	0	1	GEAF	
COC(=O)[C@@H]1c2ccc(OC)nc2CC[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3	587436182	MWDKOWNFJPSVRY-LNHNDHHWSA-N	395.411	2.488	0	1	GEAF	
CC[C@]1(C)CC(=O)N(CC(=O)N2CCN(c3cccc(Cl)c3)CC2)C1=O	653728682	KRMVSDMLOSIGRO-LJQANCHMSA-N	377.872	2.164	0	1	GEAF	
C[C@@H]1CC(=O)N([C@H](C)C(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)C1=O	653791293	GOBGYUDXUNWESR-VXGBXAGGSA-N	398.290	2.426	0	1	GEAF	
Cn1ncc(-c2nn(C)c3ncnc(N4CCC4)c23)c1-c1ncc(C2CC2)cn1	1772650774	FFXHCJKHCKSBRF-UHFFFAOYSA-N	387.451	2.308	0	1	GEAF	
O=C(O)CNC(=O)C1=C(O)CCN(Cc2ccc(-c3ccccc3)cc2)C1=O	1857751413	APFMSCJLGMGLDQ-UHFFFAOYSA-N	380.400	2.099	0	1	GEAF	
COc1cc(N2CC(NC(=O)c3cn4c(C)c(C)nc4cn3)C2)c(Cl)cn1	1911576492	KJXQSWPECRUGIT-UHFFFAOYSA-N	386.843	2.022	0	1	GEAF	
COc1ccc(-c2cn(C[C@@H]3C[C@H]4CCN3C[C@@H]4C(=O)NC(C)C)nn2)cc1	2356300675	OKMZHGKOEZWZPF-AOIWGVFYSA-N	383.496	2.189	0	1	GEAF	
Cc1ccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)NCc3ccco3)[C@@H]4C2=O)cc1	13147332	RWKZFNODIXGMSY-JYLXEMOASA-N	378.428	2.186	0	1	GEAF	
CCOC(=O)N1CCC(Nc2ncc(C(=O)c3ccccc3F)c(N)n2)CC1	14950254	GZGRBXHWGKYVRJ-UHFFFAOYSA-N	387.415	2.462	0	1	GEAF	
CN(C)C[C@@H]1CNC(=O)c2cc3ccc(C(=O)Nc4nccs4)cc3n2C1	29125749	KCLRWGHGJYQLSM-LBPRGKRZSA-N	383.477	2.271	0	1	GEAF	
CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@@H](C)NC[C@H]1C	95679687	MLEIFZNHXKEZCN-LPMFXHHGSA-N	389.496	2.129	0	1	GEAF	
C[C@@H](NC(=O)[C@@H](N)CC(N)=O)P(=O)(Oc1ccccc1)Oc1ccccc1	96167861	APGOHCBEJDAUOM-BBRMVZONSA-N	391.364	2.002	0	1	GEAF	
COC(=O)C1=C[C@H]2C3=C(NCCN(C)C)c4ccccc4N(C)C3=N[C@H]2C=C1	103159095	GJYQWSSTCFYAOL-SJORKVTESA-N	378.476	2.065	0	1	GEAF	
COc1cc2c(cc1OC)[C@@]13CCN4CC5=CCO[C@@H]6CC(=O)N2[C@@H]1[C@@H]6[C@@H]5C[C@@H]43	103175792	RRKTZKIUPZVBMF-DSXUFDRVSA-N	394.471	2.110	0	1	GEAF	
COc1cccc([C@H]2C3=C(COC3=O)N(CCO)c3cc4c(cc32)OCO4)c1	198345029	LJSYPLKJTXXEEK-LJQANCHMSA-N	381.384	2.179	0	1	GEAF	
CN(Cc1nc2ccc([C@@H](N)N=O)cc2[nH]1)S(=O)(=O)c1ccc(F)cc1	587169728	IVNFMRAKHGMPCE-INIZCTEOSA-N	377.401	2.246	0	1	GEAF	
CCOC(=O)[C@H]1CN(C(=O)OCC)CC[C@@]12CC(=O)c1cc(C)cc(N)c1O2	587395175	LBTICYPNKJUMOW-JLTOFOAXSA-N	390.436	2.323	0	1	GEAF	
CN(C)S(=O)(=O)n1ccnc1[C@@H]1NCCc2cccc(-c3ccccc3)c21	962671179	SQZLCPGCSGIHLM-LJQANCHMSA-N	382.489	2.440	0	1	GEAF	
CCC[C@@H](C(=O)OCC)[C@@]1(C(=O)OCC)c2ccsc2CCN1C(N)=O	962720882	YHYONENNJMHKCK-SCLBCKFNSA-N	382.482	2.423	0	1	GEAF	
CCCC[C@@H]1[C@H]2CCCN3CCC[C@@H](CN1S(=O)(=O)c1cn(C)cn1)[C@@H]23	1772615539	JOGWIRZHRXEWAO-FAJBIJEISA-N	380.558	2.474	0	1	GEAF	
Cc1ccc(C2=Nc3c(n[nH]c3C)N=C3NC(N4CCN(C)CC4)=NC=C32)cc1	1857770357	CGQAJNWPJQOPOT-UHFFFAOYSA-N	388.479	2.281	0	1	GEAF	
COC(=O)[C@@H]1C[C@@]23C4=C(CC[C@@H]41)CC[C@H]1CN4C[C@H](C)[C@@H](C=C[C@@]12CO)[C@]43O	2356581092	KJJSHRRLRCGALL-COAQOJKWSA-N	385.504	2.101	0	1	GEAF	
COC(=O)C1=C[C@H](O)C[C@@H]2[C@]1(C)C=C[C@]1(O)C(=O)O[C@@H](c3ccoc3)C[C@]21C	2356868991	XGVUXZKWEOGMNA-ATHNCXIOSA-N	388.416	2.061	0	1	GEAF	
CC1CCN(C(=O)CSc2nc3n(-c4ccccc4)[nH]cc-3c(=O)n2)CC1	103693949	OUEWKFWXTZVKDU-UHFFFAOYSA-N	383.477	2.411	0	3	GEAF	
COc1ccc2c(c1OC)CC(=O)N1CCc3cc4c(cc3C(=O)[C@H]21)OCO4	1591194	RIGDPEKYCIWKDD-IBGZPJMESA-N	381.384	2.297	0	1	GEAF	biogenic
COCCNC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@H]2c3ccccc3C(=O)N12	8486773	CNIPZQWVOYKHQS-UYAOXDASSA-N	375.428	2.400	0	1	GEAF	biogenic
CN(C(=O)n1c(=O)n(CCN2CCOCC2)c2ccccc21)C1CCCCC1	40425192	LSWFCEKTXFHEFW-UHFFFAOYSA-N	386.496	2.368	0	1	GEAF	
C[C@@H]1CN(c2cc(N(CCO)Cc3cccc4ccccc34)nc(=O)[nH]2)CCO1	95557526	KXFCSDGILURUCG-MRXNPFEDSA-N	394.475	2.147	0	1	GEAF	
Nc1cccc(N2C(=O)c3ccccc3[C@@]2(O)c2ccc3c(c2)NC(=O)CO3)c1	116256016	RWJGXHSKKVZYLI-QFIPXVFZSA-N	387.395	2.454	0	1	GEAF	
COc1ccc2c3c1O[C@@H]1[C@@H](O)C=C[C@@H]4[C@@H](C2)N([C@@H]2CCCC[C@@H]2O)CC[C@@]314	169301625	ROOIUTBGPBWDFU-RSIRMTINSA-N	383.488	2.175	0	1	GEAF	
CO[C@H]1COC(=O)CC=C[C@@H](C)COC(=O)[C@H]2CCCN2C(=O)CC=C[C@H]1C	254010908	XWWBVVBSGQSUTO-TVFCKZIOSA-N	393.480	2.257	0	1	GEAF	
COC[C@H](C)NC(=O)c1cnn2ccc(N3CCC[C@H]3c3cncc(F)c3)nc12	261152238	PDPJLIBDEWXTAI-GUYCJALGSA-N	398.442	2.370	0	1	GEAF	
CCOc1ccc(-c2nn(C(=S)NN)c(=O)c3ccccc23)cc1OCC	587669799	FULBISKHCFHTEV-UHFFFAOYSA-N	384.461	2.457	0	1	GEAF	
Cn1ccnc1[C@]1(C)c2scnc2C[C@H](C(=O)O)N1C(=O)OC(C)(C)C	963134181	DBLOASRAHJVJLD-DIFFPNOSSA-N	378.454	2.387	0	1	GEAF	
COc1ccc2c(c1)CN(C(=O)c1cnn(-c3nc(C)cc(O)n3)c1C)CC2	1857575360	FPGGVMOAXMSSDT-UHFFFAOYSA-N	379.420	2.192	0	1	GEAF	
OC[C@H]1O[C@H]2c3cc(Cc4cc5ccccc5s4)ccc3O[C@H]2[C@@H](O)[C@@H]1O	1857751220	LAXKDNIPZFQJQB-TZMRYXNNSA-N	384.453	2.407	0	1	GEAF	
CC(=O)OC[C@]1(C)[C@H](O)C(=O)C[C@]2(C)[C@@H]3CCc4cocc4[C@]3(CO)CC[C@H]12	2356844627	NXHOYVCBNYYEDE-KINXCBNHSA-N	390.476	2.392	0	1	GEAF	
COc1cc2c(cc1OC)[C@H](C(=O)NC[C@H]1CCCO1)[C@@H]1CCCCN1C2=O	20105097	XTGIYWNPRRNBIB-AZOIQLNYSA-N	388.464	2.091	0	1	GEAF	
CCN1CCN(C(=O)C[S@@](=O)Cc2nc(-c3ccccc3)oc2C)CC1	20241765	NKKIRUUPAMCNSI-AREMUKBSSA-N	375.494	2.063	0	1	GEAF	
COC(=O)[C@@H]1C[C@@H](N)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C	36221560	VCZKRKGJSSFJER-GKRPYSMHSA-N	389.448	2.396	0	1	GEAF	
COc1cc(C(=O)c2c(N)sc3c2CCN(C(C)=O)C3)cc(OC)c1OC	40834315	IBLCXXAIJQPCSL-UHFFFAOYSA-N	390.461	2.492	0	1	GEAF	
CCN(CC)CCNC(=O)c1nc2cc(I)ccc2[nH]1	40980385	FQZYDNWIAZYBMB-UHFFFAOYSA-N	386.237	2.239	0	1	GEAF	
O=C(CO)NC[C@@H]1CCCc2cc(S(=O)(=O)c3cccc(F)c3)cc(F)c21	49037162	XEXJJOXMIXVJEI-ZDUSSCGKSA-N	395.427	2.326	0	1	GEAF	
CN1C(=O)/C(=C/c2ccc3c(c2)OCO3)N=C1NCc1ccc2c(c1)OCO2	72110829	YCUFFCKRBVGCAI-NSIKDUERSA-N	379.372	2.103	0	1	GEAF	
CCOC(=O)CN1CCN(c2ncc(C)c(NCc3cccs3)n2)CC1	82213007	SNVFSRFXCKPZIC-UHFFFAOYSA-N	375.498	2.144	0	1	GEAF	
C/C=C/c1ccc([C@@H]2[C@@H](CNC(=O)C3CC3)N(C(=O)NCCC)[C@H]2CO)cc1	95895610	NJQPGASMIDWZCK-HQMFECSSSA-N	385.508	2.494	0	1	GEAF	
O=S1(=O)CCCN1C[C@H](O)Cn1c2cc(F)ccc2c2c(F)cccc21	148551814	HLSASWBSLUMYQF-ZDUSSCGKSA-N	380.416	2.469	0	1	GEAF	
O=C1[C@H]2[C@H]3CC[C@H](C3)[C@H]2C(=O)N1[C@H]1CC[C@H](C(=O)Nc2cncc(O)c2)CC1	254130816	GXAJZSQTQQZVTD-UVRXJMRQSA-N	383.448	2.316	0	1	GEAF	
COCC(=O)N[C@@H]1[C@@H](c2ccccc2)N(Cc2c(C)noc2C)CC[C@@]1(C)O	2356330234	PWJRHLOMAXLBAS-NJDAHSKKSA-N	387.480	2.121	0	1	GEAF	
CC[C@H](C)[C@]1(OC)NC(=O)[C@H](C(C)C)n2c1nc1c(c2=O)C=C(OC)C=CO1	2356850182	QAGOKKIRIONYAD-NRKGENKXSA-N	389.452	2.309	0	1	GEAF	
C[C@]1(C(=O)NS(=O)(=O)c2ccc(Cl)cc2)CCN1C(=O)c1ccccc1	61896680	JFKASVFBXGWHNU-GOSISDBHSA-N	392.864	2.450	0	3	GEAF	
CCOC(=O)c1nc2c(=O)[nH]c3cc(Cl)c(-n4ccc(C=O)c4)cc3n2n1	13864084	WOAYPTAVBXESLH-UHFFFAOYSA-N	385.767	2.004	0	1	GEAF	
CCCCCC[C@@H](NC(=O)c1ccc(/C=C/C(=O)O)cc1)C(=O)NCC(=O)O	26747926	HSRYIADSGUXYNL-ONOODXEBSA-N	390.436	2.054	0	1	GEAF	
CC1=CC(C(=O)NN2CCCCC2)=NS(=O)(=O)N1c1ccc(Cl)cc1	28876179	DKJYGUHLOMETGY-UHFFFAOYSA-N	382.873	2.267	0	1	GEAF	
CN1CCN(CCCn2c(N)nc3ccc(C(=O)c4ccccc4)cc32)CC1	84705144	FESOKHGNMLLZIJ-UHFFFAOYSA-N	377.492	2.487	0	1	GEAF	
CC(=O)N(C)C[C@H]1Oc2ccc(NC(=O)NC(C)C)cc2C(=O)N(C)C[C@@H]1C	95661280	PEIHOODXEGGKNI-SCLBCKFNSA-N	390.484	2.164	0	1	GEAF	
COCO[C@H]1C=C2CCN3Cc4cc5c(cc4[C@H]([C@@H]1OCOC)[C@@H]23)OCO5	103268997	GOEDNIGUSCPUPC-VNTMZGSJSA-N	375.421	2.005	0	1	GEAF	
COc1ccc2c3c([nH]c2c1)[C@@H]1C[C@@H]2[C@@H](C[C@@H](O)[C@@H](OC)[C@H]2CO)CN1CC3	169293153	YCLAQLTVHNAEEQ-QVDZVIIVSA-N	386.492	2.100	0	1	GEAF	
Cc1cc(S(N)(=O)=O)ccc1OCc1nc2ccnc(Br)c2[nH]1	586930293	PASBMSOAGFFOOO-UHFFFAOYSA-N	397.254	2.255	0	1	GEAF	
Nc1cc2nc(CCC(=O)Nc3nnc(-c4ccncc4)s3)[nH]c2cc1N	587024241	QPZMEKVCPXECFV-UHFFFAOYSA-N	380.437	2.212	0	1	GEAF	
O=C(O)Cc1cc2c(O)nc(O)nc2nc1-c1ccc(Br)cc1	587366156	KQZBTUAXPZEFKY-UHFFFAOYSA-N	376.166	2.493	0	1	GEAF	
COc1cc2c3c(c1)O[C@@]1(c4ccccc4SCC1(CO)CO)[C@@H](C2)C3=O	587451160	IPPVMZNZWJUQLP-BTYIYWSLSA-N	384.453	2.415	0	1	GEAF	
Nc1ncc(-c2cc(N3CC[C@H](F)C3)nc(N3CCC3)n2)cc1OC(F)F	653667726	GKQUYHAAHGDOPU-NSHDSACASA-N	380.374	2.481	0	1	GEAF	
COCCOC[C@@H](NC(=O)Nc1cc2[nH]nc(OC)c2cn1)c1ccccc1	1772628533	DNJHGLYTGWNWSZ-MRXNPFEDSA-N	385.424	2.492	0	1	GEAF	
O=S1(=O)NC(Nc2cccc3[nH]ncc23)=Nc2c1cc(Cl)c(F)c2O	1857752432	UAHVXIUTSRUJDU-UHFFFAOYSA-N	381.776	2.453	0	1	GEAF	
COC[C@H](O)[C@]1(O)CC[C@@]2(O)[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C	2356593994	DRWYRTBGYGOFNY-HMWSDPSDSA-N	380.525	2.163	0	1	GEAF	
COC(=O)C1=CO[C@H](C)[C@@H]2CN3CC[C@]4(C(=O)Nc5ccc(OC)cc54)[C@@H]3C[C@@H]12	2356598182	HSEWZVYXOFZIMV-DSSJXRIHSA-N	398.459	2.071	0	1	GEAF	
CCC(=O)N1[C@@H](C(=O)NCc2ccc(F)cc2)CSC12CCN(C)CC2	6943555	HMSPQHLBEBDZKW-MRXNPFEDSA-N	379.501	2.218	0	1	GEAF	
CN(C)CCc1cc2c(cc1C(=O)[C@@H]1OC(=O)c3c1ccc1c3OCO1)OCO2	14612499	IGJQMOASTPRCEK-LJQANCHMSA-N	397.383	2.343	0	1	GEAF	biogenic
O=C(C1CCCCC1)N1CCN2C(=O)N(CCc3cccs3)C(=O)[C@@H]2C1	25433802	RUEHYEDKJPDLBJ-INIZCTEOSA-N	375.494	2.346	0	1	GEAF	biogenic
Nc1nc(-c2cccc(C(=O)N3CCOCC3)c2)cn2nc(-c3ccco3)nc12	28526395	BEPHPGXXHVMSCM-UHFFFAOYSA-N	390.403	2.106	0	1	GEAF	
COc1cc(Cc2cnc(N)nc2N)cc2c1N(CCOC(C)=O)CC[C@@H]2C	29560184	MMPFYSRMKOTYDR-LBPRGKRZSA-N	385.468	2.117	0	1	GEAF	
CCS(=O)(=O)NC1CCN(C(=O)CNc2ccc(Cl)cc2Cl)CC1	95921266	QFWUINADTOYHEQ-UHFFFAOYSA-N	394.324	2.336	0	1	GEAF	in-vitro
CNC(=O)/C=C1/COc2c1ccc(OS(=O)(=O)CCC(F)(F)F)c2C	101662716	ITJKTMHWRRUOAU-YFHOEESVSA-N	379.356	2.178	0	1	GEAF	
COC(=O)[C@]1(C)N[C@@H](c2ccc(F)cc2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21	169294131	MMTCGVFQEZEANG-PZTGFMGMSA-N	382.391	2.208	0	1	GEAF	
CC[C@@H]1C2=C3N(CCCC2)[C@H]([C@@H]2C[C@H](C)C(=O)O2)C[C@@]32OC(=O)[C@H](C)[C@@H]2[C@H]1O	257379555	AQNPGXKKPJKNFG-CSHQOPGESA-N	389.492	2.399	0	1	GEAF	
COc1nc2[nH]c(=O)[nH]c2cc1NS(=O)(=O)c1cccc(Cl)c1Cl	299839203	QSVQNPOYGWSGNM-UHFFFAOYSA-N	389.220	2.367	0	1	GEAF	
CN(C)S(=O)(=O)c1cccc2nc([C@@H]3CSCN3C(=O)C(C)(C)C)[nH]c12	587043032	OWNCNHMNRUHNLB-LBPRGKRZSA-N	396.538	2.433	0	1	GEAF	
N=C(N)c1ccc2nc([C@@H](CC(=O)O)NC(=O)OCc3ccccc3)[nH]c2c1	587204520	ZJEVWRBNIIDCNI-OAHLLOKOSA-N	381.392	2.289	0	1	GEAF	
CCn1ncc2c1CC[C@@H](N=c1nc3c(-c4cccnc4OC)cccn3[nH]1)C2	1857637322	BUFSNNSUCQXNSC-OAHLLOKOSA-N	389.463	2.408	0	1	GEAF	
COCC(=O)N[C@@H]1CC[C@]2(C)CC[C@H]([C@H](C)C(=O)N3CCCC3)[C@H](O)[C@@H]2[C@@H]1C	2356320302	TZIGWNROWUQXOF-ZRHQJTOQSA-N	394.556	2.199	0	1	GEAF	
CCOC(=O)C1=C(C)N(CCCC(=O)O)C(=O)N[C@@H]1c1ccc(OC)cc1	8829524	RRUFRPJCEPDUMS-QGZVFWFLSA-N	376.409	2.463	0	3	GEAF	
Cc1ccc(C(=O)NCCN2CCC3(CC2)C(=O)NCN3c2ccccc2)cc1	146571670	JXLIWVCOKWDGEL-UHFFFAOYSA-N	392.503	2.153	0	3	GEAF	
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CC[C@]4(CCCN4)C3)c(F)c21	26379096	KILPKWZYXYDPII-LJQANCHMSA-N	377.391	2.330	0	1	GEAF	
Nc1nc(O)c2c(CNCc3ccc(I)cc3)c[nH]c2n1	29471216	HYJIFUJMAMFWSB-UHFFFAOYSA-N	395.204	2.140	0	1	GEAF	
Cc1nc(-c2nc(N3CCN(C)CC3)[nH]c2-c2ccc3ncnn3c2)ccc1F	40934514	GFFUTKZTEQGNEL-UHFFFAOYSA-N	392.442	2.381	0	1	GEAF	
Brc1cc(CCN2CCN(c3ncccn3)CC2)cc2[nH]cnc12	45498030	RVUFQKDCHBQVDR-UHFFFAOYSA-N	387.285	2.480	0	1	GEAF	
NC[C@@H](C(=O)N1CCN(c2ncnc3[nH]ccc23)CC1)c1ccc(Cl)cc1	64539221	SBRSSMHWCHVBFI-MRXNPFEDSA-N	384.871	2.002	0	1	GEAF	
Cc1cc2c(N3CCN(C(=O)[C@H](N)Cc4ccc(Cl)cc4)CC3)ncnc2[nH]1	64541129	QLOBBNQMEBWXKX-QGZVFWFLSA-N	398.898	2.138	0	1	GEAF	
CSc1nn2c3c(cnc2c1S(=O)(=O)c1ccc(F)cc1)CN(C)CC3	95555145	PBXPMWAJYADUNN-UHFFFAOYSA-N	392.481	2.411	0	1	GEAF	
CN(Cc1nc2ccccc2[nH]1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F	96927694	QBJJWKAKQOZRKD-HXUWFJFHSA-N	398.417	2.452	0	1	GEAF	
COC1CCC2(CC1)Oc1ccc(OCC3CC3)cc1[C@]21N=C(N)N(C)C1=O	140896792	OIMHOXZSLOPGKN-GSGOXKDTSA-N	385.464	2.178	0	1	GEAF	
CCn1ccc2c(Nc3nc(N[C@@H]4CCCC[C@@H]4N)nnc3C(N)=O)cccc21	224428190	RPHUUBHXCXCDPM-DZGCQCFKSA-N	394.483	2.371	0	1	GEAF	
O=C(O)CN(C(=O)CNC(=O)c1cc2cc(Cl)ccc2[nH]1)C1CCCC1	28133528	DZXVFIZPMIETBX-UHFFFAOYSA-N	377.828	2.407	0	1	GEAF	
O=C(O)[C@@H]1Cc2ccccc2N1C(=O)CC[C@@H](NCc1ccccc1)C(=O)O	29333672	OWXIYHKSRFSEKZ-AEFFLSMTSA-N	382.416	2.052	0	1	GEAF	
COC[C@H](C)Nc1nccc(N(CCCCN)C(=O)c2ccc3c(c2)CCO3)n1	49070815	TVPCUURVTHKRSS-HNNXBMFYSA-N	399.495	2.244	0	1	GEAF	
COCCOc1cnc(C(=O)Nc2cccc(CNc3cccnc3N)c2)cn1	150223406	GXWIPFVJHSXRGD-UHFFFAOYSA-N	394.435	2.343	0	1	GEAF	
COC(=O)C(=O)C[C@@]1(c2cccc(OC)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	587444950	XNRDMSOFUXKWJM-ZHRRBRCNSA-N	396.395	2.479	0	1	GEAF	
CC[C@@H](NC(=O)c1cc(C(=O)N2CCOCC2)n2c1COCC2)c1ccccc1	1772605226	PPXSRSRQTIEUJD-GOSISDBHSA-N	397.475	2.372	0	1	GEAF	
COCCN1CC[C@H](n2cc(-c3ccc4c(c3)OCO4)c3c(N)ncnc32)C1	1857563389	DOWKQEJUJKLALT-AWEZNQCLSA-N	381.436	2.302	0	1	GEAF	
C[C@@H](O)c1onc(-c2ccc(Cl)cc2)c1C(=O)NCCN1CCOCC1	2356306688	PWPDMRKTRKRLFG-GFCCVEGCSA-N	379.844	2.110	0	1	GEAF	
C[C@@H]1OC=C(C(=O)O)[C@@H]2C[C@@H]3c4[nH]c5ccc(O)cc5c4C[C@H](C(=O)O)N3C[C@@H]12	2356408191	XCHQOAXKIOZNDD-FDFUGKMFSA-N	398.415	2.249	0	1	GEAF	
CO[C@@H]1C[C@@]23CCN(C)C(=O)[C@@H]4[C@H](C)OC[C@H]([C@H]41)[C@H]2N(C(C)=O)c1ccccc13	2356420368	XLGWGETYTXOOFP-PJBJJWMFSA-N	398.503	2.208	0	1	GEAF	
CN1[C@H]2CC[C@@H]1CN(c1cc3c(cc1F)c(=O)c(C(=O)O)cn3CCF)C2	13650300	IVSHGBHPPSHNCA-TXEJJXNPSA-N	377.391	2.091	0	1	GEAF	
COc1cc(-c2oc3cc(O)c(OC)c(O)c3c(=O)c2OC)c(O)cc1O	15271482	SKOZSTOGCOHGBE-UHFFFAOYSA-N	376.317	2.308	0	1	GEAF	biogenic
CN1C(=O)c2ccccc2[C@H](C(=O)NCCN2CCOCC2)[C@H]1c1cccs1	20115971	KFBICLAPAOMJAY-RBUKOAKNSA-N	399.516	2.107	0	1	GEAF	
C[C@H]1CN(CCCCn2cnc3c(=O)[nH]c(Nc4ccccc4)nc32)C[C@@H](C)N1	22933680	SIEXHGADVYZANN-IYBDPMFKSA-N	395.511	2.326	0	1	GEAF	
C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(COC(=O)c3ccc4ccccc4c3)S[C@H]12	26274981	UFIUCRBXZKYMHH-XODWSEBVSA-N	399.424	2.205	0	1	GEAF	
O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCC(O)CC1)c1cc2ccccc2[nH]1	29057090	SRZJSPRRPFSGPT-NRFANRHFSA-N	391.471	2.492	0	1	GEAF	
N[C@H]1NC=Nc2c(CN3C[C@H](CSc4cccc(Cl)c4)[C@@H](O)C3)c[nH]c21	34803657	AJIYTACJJDEROQ-MRAWALMUSA-N	391.928	2.473	0	1	GEAF	
O=C(C1CC2(CCN(C3CCOCC3)CC2)C1)N1CCN2CCCC[C@H]2C1	103243038	YEOCIYXDPIDOQT-FQEVSTJZSA-N	375.557	2.354	0	1	GEAF	
CC[C@@H]1C2=C3[C@@H]4[C@H](OC(=O)[C@H](C)[C@@H]4[C@@H]1O)[C@H]([C@H]1C[C@@H](C)C(=O)O1)N3CCCC2	2356362912	IMBLSLXWSTZJFX-BKXYYXLUSA-N	389.492	2.255	0	1	GEAF	
COC(=O)C1=C2Nc3cc(OC)c(O)cc3[C@]23CCN2CC[C@@H]4OCC[C@@]4(C1)[C@@H]23	2356577670	LZVMXRSCSWSPDH-KVJIRVJXSA-N	398.459	2.148	0	1	GEAF	
CC(C)(O)[C@@H]1Oc2c(O)cc([C@@H]3CC(=O)c4c(O)cc(O)cc4O3)cc2[C@H]1O	2356622038	ZKWKPRFUKLOWLB-POZUXBRTSA-N	388.372	2.075	0	1	GEAF	
CCOC(=O)C1=C(C)N(CCCC(=O)O)C(=O)N[C@H]1c1ccc(OC)cc1	8829525	RRUFRPJCEPDUMS-KRWDZBQOSA-N	376.409	2.463	0	3	GEAF	
O=C(C(=O)N1CCN(C(=O)c2ccccc2F)CC1)c1c[nH]c2ccccc12	3591515	ZISYSBJOXCEQPM-UHFFFAOYSA-N	379.391	2.474	0	1	GEAF	
COc1ccccc1N1CCN(CCCNc2ccc(C(=O)N(C)C)cn2)CC1	13764493	XXNSNZACAFYZLQ-UHFFFAOYSA-N	397.523	2.416	0	1	GEAF	
COC(=O)[C@]1(O)C[C@@]2(C(C)=O)CCCN3CCc4c(n1c1cc(OC)ccc41)[C@@H]32	14829339	JSPRBHQBWMFUOZ-CEMLEFRQSA-N	398.459	2.140	0	1	GEAF	biogenic
CCc1ccc(NS(=O)(=O)c2ccc(F)cc2)c(C(=O)O)c1OCCN	14965095	YLNWNNUWISTBAA-UHFFFAOYSA-N	382.413	2.225	0	1	GEAF	in-vitro
O=C(c1ccc(N[C@H]2CCSC2)nc1)N1CCCN(c2ncccn2)CC1	19837007	IIYDQTYBGKPPOI-INIZCTEOSA-N	384.509	2.142	0	1	GEAF	
CC(=O)N1CCC2(CC1)OC(=O)C(C)=C2C(=O)N[C@H](C)CCc1ccccc1	20531814	CHCJLVXODDGOTF-OAHLLOKOSA-N	384.476	2.378	0	1	GEAF	
O=C(NCc1ccccc1)N[C@@H]1CO[C@@H]2[C@@H](OC(=O)Nc3ccccc3)CO[C@H]21	25212442	VQBVRAQRFNRYIG-YDZRNGNQSA-N	397.431	2.269	0	1	GEAF	biogenic
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCC[C@@]4(CCCNC4)C3)nc21	26378058	FXVROOJGHSETMV-HXUWFJFHSA-N	388.443	2.224	0	1	GEAF	
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccc(F)cc2C[C@@H]1C(=O)O	26653456	BSCMXZDABPTCNN-RBUKOAKNSA-N	386.423	2.056	0	1	GEAF	
O=C(C[C@H]1C/C=C/CCC(=O)OCCNC1=O)NCc1ccc(Cl)cc1	49034324	PIGMXBSUAPIWMM-BGTMTDRBSA-N	378.856	2.362	0	1	GEAF	
CCOC(=O)N1CCC(Nc2nc(N3C[C@H](C)O[C@@H](C)C3)ncc2C)CC1	82204215	KLNUAXYNMVRPFX-GJZGRUSLSA-N	377.489	2.431	0	1	GEAF	
C/C=C/c1ccc([C@@H]2[C@@H](CO)N[C@@H]2CN(C)S(=O)(=O)c2ccccc2)cc1	95895052	NETWDHXXCLOVFS-YKZJEMINSA-N	386.517	2.457	0	1	GEAF	
CC[C@@]12COCCN1c1nc(-n3ccnc3-c3ccccc3)ncc1N(C)C2=O	117883194	UZBZLIAKCDCTBS-NRFANRHFSA-N	390.447	2.291	0	1	GEAF	
Cn1c(O[C@H]2CCCN(c3ccc(F)cc3)C2)nc(-c2ccncn2)cc1=O	146509414	WNLMUJLIHHMPON-INIZCTEOSA-N	381.411	2.424	0	1	GEAF	
Cn1c(OC[C@@H]2CCCN2c2ccc(F)cc2)nc(-c2ccncn2)cc1=O	146511464	AJWWKHQHTQWXKT-INIZCTEOSA-N	381.411	2.424	0	1	GEAF	
CCc1ccc([C@H]2C[C@H](NC(=O)OC)CN(C(=O)N3CCOCC3)C2)cc1	150015210	UQEUDLUCJBFCMU-ROUUACIJSA-N	375.469	2.215	0	1	GEAF	
CC1(Oc2ccc3[nH]nc(-c4cc(N5CCO[C@@H](CO)C5)ncn4)c3c2)CC1	221361833	NSBBQELLKVUGIG-CQSZACIVSA-N	381.436	2.149	0	1	GEAF	
O=C(O)c1cn(C2CC2)c2c(F)c(N3C[C@H]4CC[C@H]3CN4)c(F)cc2c1=O	253714048	YEGBYBZWOAXYLK-KOLCDFICSA-N	375.375	2.253	0	1	GEAF	
CNS(=O)(=O)NCc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1	586942730	POMGQFFVLUVRLV-UHFFFAOYSA-N	376.282	2.154	0	1	GEAF	
O=C1[C@H](N2CC[C@@H](c3ccc(O)cc3)[C@H](O)C2)CCN1Cc1ccc(F)cc1	1772603492	NIPVYFDEJFFCLH-PWRODBHTSA-N	384.451	2.483	0	1	GEAF	
CCCn1nc(C(=O)N(C)C)c2c1CC[C@H](NCCc1ccc3c(c1)OCO3)C2	1857605510	BZHDWIAQIBJLOJ-INIZCTEOSA-N	398.507	2.413	0	1	GEAF	
CC(=O)O[C@]1(C)C(=O)O[C@@H]2[C@@H]3C(C)=CC[C@@H]3[C@](C)(O)C[C@@H](OC(=O)C(C)C)[C@@H]21	2356442456	CPFDFMRUEQZXHU-PNXAGLBASA-N	394.464	2.155	0	1	GEAF	
COc1ccc([C@H](O)[C@@H]2CO[C@@H](c3ccc(OC)c(O)c3)[C@@H]2CO)cc1O	2356555283	PGWSIRRJBWWKAV-NSMLZSOPSA-N	376.405	2.145	0	1	GEAF	
CC[C@@H]1OC(=O)[C@H](C)[C@H](O)[C@H](C)C(=O)[C@H](C)C[C@H](C)C(=O)[C@H](C)[C@H](O)[C@@H]1C	2356655335	BFPPCOBUKUWWOH-RGIPPMLGSA-N	384.513	2.389	0	1	GEAF	
C[C@]1(C(=O)NS(=O)(=O)c2cccc(F)c2)CCN1C(=O)c1cccc(F)c1	61896771	VDILMGZBTQGYRW-GOSISDBHSA-N	394.399	2.075	0	3	GEAF	
COc1ccc(NC(=O)[C@H]2Cc3c(-c4cccc(C(N)=O)c4)ccnc3O2)cn1	61926811	XBZHTXLGFBBUHJ-QGZVFWFLSA-N	390.399	2.193	0	3	GEAF	
COC(=O)[C@@]1(C)N[C@H](c2cccc(C)c2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21	12497002	HURDXSBWLXXHCS-FBAVSBLXSA-N	378.428	2.377	0	1	GEAF	
CC(C)(/C=C/[C@H](O)c1ccc(C(=N)N)cc1)C(=O)N1CCC(CC(=O)O)CC1	26183828	VPMTVMNQKVLDRC-JEJOPICUSA-N	387.480	2.300	0	1	GEAF	
CO[C@H]1[C@H](CC(C)C)O[C@@H](OCC(=O)O)[C@H](OCc2ccccc2)[C@H]1OC	27649882	FKKRIXVGUJIXBK-AEEMCCEDSA-N	382.453	2.474	0	1	GEAF	
CC(=O)N1CCN(c2ncc(C(=O)NCC3CC3)c(-c3cccc(C)c3)n2)CC1	82145931	FBOHPKYLBQFYNX-UHFFFAOYSA-N	393.491	2.260	0	1	GEAF	
Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccc3c(c1)OCO3)C1=C(O)CCCC1=N2	104091692	MOGNUJWGZJTJKA-HNNXBMFYSA-N	381.388	2.027	0	1	GEAF	
N[S@](=O)c1ccc(-c2cnc3ccc(-c4ccc([S@@](N)=O)cc4)nn23)cc1	169306694	GPSFPNVATVOSQW-RRPNLBNLSA-N	397.485	2.026	0	1	GEAF	
CC(=O)Oc1ccccc1C(=O)O[C@]12[C@H]3[C@@H]4[C@@H]5[C@@H]6C[C@@H]([C@H]53)[C@@H]1[C@@H]6[C@]41OCCCN12	253652158	WHDRGMZULYIHPP-IPDNZNSRSA-N	393.439	2.285	0	1	GEAF	
CCn1c(O)nc(-n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)cc1=O	587869883	QIBZFKDKZHCMOD-UHFFFAOYSA-N	381.314	2.244	0	1	GEAF	
O=C(Nc1cccc(Cl)c1)N[C@@H]1[C@H]2CO[C@@H](O2)[C@H](n2cc(Cl)cn2)[C@H]1O	2356297596	WOPAHUVXCRACID-ZSAUSMIDSA-N	399.234	2.037	0	1	GEAF	
COc1ccc(C(=O)c2cc(OC)c(OC)c(OC)c2)cc1OP(=O)(O)O	13779472	CSHRDCHVKHPXQK-UHFFFAOYSA-N	398.304	2.424	0	1	GEAF	
COc1ccc(CN2CCN(C(=O)c3ccc(-n4cccn4)nc3)CC2)cc1	42658943	KSIWOJUCLFXVER-UHFFFAOYSA-N	377.448	2.234	0	1	GEAF	
CCOC(=O)c1cnc(N2CCN(C(=O)N[C@@H]3CCCCO3)CC2)c(Cl)c1	71280829	PGYCLJFMRWMKRB-HNNXBMFYSA-N	396.875	2.270	0	1	GEAF	
COc1cc2c(c3c1OCO3)-c1c(cc(OC)c3c1OCO3)CN(CCO)C2	84603422	UKSNDFUWNYEGQJ-UHFFFAOYSA-N	387.388	2.136	0	1	GEAF	
COCC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)Nc1ccccc1F	95893941	ZQADTZAUZMFMKK-CMKODMSKSA-N	399.422	2.180	0	1	GEAF	
OC[C@@H]1CCN(c2nccnc2OC2CN(c3ccc4ccccc4n3)C2)C1	96168719	MQVYXVOQZCEQOK-OAHLLOKOSA-N	377.448	2.111	0	1	GEAF	
Cc1c(N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@@H]45)[C@H]3C2=O)c(=O)n(-c2ccccc2)n1C	169295025	QKMUGOSVGDEHFO-OBRKIGFESA-N	375.428	2.042	0	1	GEAF	
C[C@@H](Nc1nccc(N2C(=O)OC[C@@H]2[C@@H](C)O)n1)c1ncc(C(C)(C)C)cn1	221662594	MQJZMGFPYLQLOL-YRGRVCCFSA-N	386.456	2.443	0	1	GEAF	
Cc1c(F)ccc2nc(CNS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c12	586941813	OMOKRJCXABFVRS-UHFFFAOYSA-N	377.397	2.260	0	1	GEAF	
Nc1nc([C@]2(C(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cs1	587613794	QEPMJYXNCAMYDS-ACJLOTCBSA-N	384.369	2.373	0	1	GEAF	
C[C@@]1(c2cnc3sccn3c2=O)N[C@@H](C(=O)O)Cc2c1cnc1ccccc21	963228219	NZHQCWCNLZKNRU-OXQOHEQNSA-N	392.440	2.167	0	1	GEAF	
Cc1cc2c(cc1O)[C@](C)(/C=C1\Nc3ccccc3NC1=O)N[C@H](C(=O)O)C2	963505642	CGHBZHJNJPCFLA-FENBNEHRSA-N	379.416	2.463	0	1	GEAF	
NS(=O)(=O)NCC1CCN(c2cc(-c3cccc4ccccc34)ncn2)CC1	1772590022	FSHWNHARQVBCOX-UHFFFAOYSA-N	397.504	2.306	0	1	GEAF	
Cc1nc(N)c(-c2cnn(C3CCN(C)CC3)n2)nc1-c1cnc2ccccn12	1772615916	DHMXJOFUHJHWEI-UHFFFAOYSA-N	389.467	2.207	0	1	GEAF	
COc1ccc2c(c1O)CCC[C@H](O)[C@]2(O)c1cc(OC)c(OC)c(OC)c1	1857562251	CPDVEOMAYWZUSX-RXVVDRJESA-N	390.432	2.360	0	1	GEAF	
COc1ccc2c3c1O[C@@H]1[C@@H](O)C=C[C@H]4[C@H](C2)N([C@@H]2CCCC[C@@H]2O)CC[C@@]314	40506444	ROOIUTBGPBWDFU-AZCWASKISA-N	383.488	2.175	0	1	GEAF	
COc1ccc(CC(C)(C)NC[C@H](O)COc2cccc3[nH]c(=O)[nH]c23)cc1	45484610	PBDMWGSHTOZGOM-HNNXBMFYSA-N	385.464	2.215	0	1	GEAF	
COP(=O)(C/C=C\Cn1cc(C)c(=O)n(C(=O)c2ccccc2)c1=O)OC	66103319	NOKRJMPYAAYSMC-FPLPWBNLSA-N	392.348	2.049	0	1	GEAF	
CC(=O)NCCNC(=O)c1cnc(NCc2ccc(C)o2)nc1-c1ccco1	82142803	FFSYAUVHZGWTJL-UHFFFAOYSA-N	383.408	2.116	0	1	GEAF	
COc1cccc(NC(=O)N2CC3(C2)[C@@H](c2ccccc2)[C@@H](CO)N3C(C)=O)c1	95796312	BMFQPRSVJKABNP-UXHICEINSA-N	395.459	2.288	0	1	GEAF	
O=C(Nc1ccccc1F)N[C@@H]1C=C[C@@H](CC(=O)N2CCCCC2)O[C@H]1CO	95906436	DLOREXMLRXXTRO-QGTPRVQTSA-N	391.443	2.034	0	1	GEAF	
CCNC(=O)Nc1ccc(-c2nc(N3C[C@@H]4C[C@H]3CO4)c3c(cnn3C)n2)cc1	96283250	MKLJKVWGDOVVKJ-GJZGRUSLSA-N	393.451	2.149	0	1	GEAF	
COC(=O)CN1CCC(n2cc(-c3cccc(OC)c3)c3c(N)ncnc32)CC1	96942033	IQMVMHITWPJRIL-UHFFFAOYSA-N	395.463	2.499	0	1	GEAF	
N[C@H](C(=O)N1CC[C@H](F)C1)[C@H]1CC[C@H](NC(=O)c2ccc(F)c(F)c2)CC1	100771700	UUCMWQOGZNNWGQ-DPYKFYPSSA-N	383.414	2.151	0	1	GEAF	
CC(=O)c1ccccc1OC(=O)CCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2[C@H]2C[C@H]21	195418634	BTBBTBLGIFDWMW-RDOJUESESA-N	379.412	2.238	0	1	GEAF	
NC(=O)[C@@H](O)[C@H](O)c1cccc(-c2ccc(Oc3ccc(Cl)cn3)cc2)n1	205477592	ABLPGMWCKMKLON-MSOLQXFVSA-N	385.807	2.469	0	1	GEAF	
COc1n[nH]c2cc(NC(=O)N[C@H]3CN(C)C[C@@H]3c3ccccc3C)ncc12	209322789	KUWSDTVDJZRIKY-WBVHZDCISA-N	380.452	2.494	0	1	GEAF	
COC(=O)[C@@H]1C[C@@]23C4=C(CC[C@@H]41)CC[C@H]1CN4C[C@@H](C)[C@@H](C=C[C@]12CO)[C@]43O	299806140	KJJSHRRLRCGALL-HFWPAMRQSA-N	385.504	2.101	0	1	GEAF	
COc1ccc(S(=O)(=O)N[C@H](c2nc3ccc(C)cc3[nH]2)[C@@H](C)O)cc1	586937249	SDFYNEHZDJRXMX-PXAZEXFGSA-N	375.450	2.280	0	1	GEAF	
O=C(O)C[C@@H](C(=O)O)c1cc(O)n(NCc2ccccc2Br)c1O	587939409	CEILTNJKDKARRE-SNVBAGLBSA-N	399.197	2.048	0	1	GEAF	
O=C(O)c1cccc2c1CCN[C@@]2(CN1CCNCC1)c1ccccc1Cl	963128427	ABBNTGUKDKYURV-OAQYLSRUSA-N	385.895	2.333	0	1	GEAF	
C=CC(=O)N1CCC([C@@H]2CCNc3c(C(N)=O)c(-c4ccccc4)nn32)CC1	1772602346	ZLHGLPXPAVHEQY-INIZCTEOSA-N	379.464	2.430	0	1	GEAF	
CN1[C@H]2COC[C@H]1CC(NC(=O)c1cn(CC(F)(F)F)c3ncccc13)C2	1772603614	BKVJYZXJBKSXRH-CHWSQXEVSA-N	382.386	2.190	0	1	GEAF	
Cc1ccnc(C2CN([C@H](C)c3nc(O)c4cnn(C5CCOCC5)c4n3)C2)n1	1772627405	MSKLKBGHUUNXFW-CYBMUJFWSA-N	395.467	2.142	0	1	GEAF	
C[C@@H]1CN(C(=O)c2nc(Nc3cc(C4CC4)[nH]n3)c3ccccc3n2)CCN1	1772654938	LRFFYPXYJCTYEQ-GFCCVEGCSA-N	377.452	2.408	0	1	GEAF	
O=C(NCCOc1ccc(F)cc1)[C@@H]1CCC(=O)N(CCc2ccccn2)C1	12320300	JUZCDHCVXGSDKU-MRXNPFEDSA-N	385.439	2.197	0	3	GEAF	
CC(C)(C)c1ccc(S(=O)(=O)NC(=O)[C@@]2(C)CCN2C(=O)C2CC2)cc1	61898500	FURAIJKNKNOEMX-LJQANCHMSA-N	378.494	2.190	0	3	GEAF	
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CC[C@@H]([C@@H](C)NC)C3)c(OC)c21	28002079	ZVNHDSDGQFFAIC-VXGBXAGGSA-N	391.443	2.302	0	1	GEAF	
CS(=O)(=O)c1ccc2ncc(C(N)=O)c(Nc3cccc(C(=O)O)c3)c2c1	40867193	KFXUACCFQUFZLW-UHFFFAOYSA-N	385.401	2.179	0	1	GEAF	
COCCN(C[C@H]1N[C@H](CO)[C@@H]1c1ccc(-c2ccc(F)cc2)cc1)C(C)=O	95895638	IALDNOXXIDQRDH-YPAWHYETSA-N	386.467	2.404	0	1	GEAF	
COc1ccc(CC(=O)Nc2ccc(S(N)(=O)=O)cc2Br)cc1	96928843	QJKVEKPUZJABLQ-UHFFFAOYSA-N	399.266	2.286	0	1	GEAF	
COc1ccc(-c2cc3c(C)nc(N)nc3n(CC3CCOCC3)c2=O)cn1	117708533	YJIXSCDOMBFTQX-UHFFFAOYSA-N	381.436	2.179	0	1	GEAF	
COc1ccc2c3c1O[C@H]1C(=O)[C@@H](C)C[C@]4(O)[C@@H](C2)N(CC2CCC2)CC[C@@]314	169304803	HQDQOBZHPVEXBG-KGXVTJQFSA-N	383.488	2.465	0	1	GEAF	
CC[C@@H]1[C@H](O)[C@@H]2[C@@H](C)C(=O)O[C@@]23C[C@H]([C@H]2C[C@@H](C)C(=O)O2)N2CCCC[C@@H]1[C@H]23	255209743	FQNFTSJPXXRUHI-WBFAXINISA-N	391.508	2.130	0	1	GEAF	
CC(C)CCOc1cc2nc([C@H](O)[C@@H](O)C(=O)O)[nH]c2cc1Br	586886084	DTPRAZQNCYXQBF-CHWSQXEVSA-N	387.230	2.229	0	1	GEAF	
CCOC(=O)C(=O)C[C@@]1(c2ccccc2)NCCc2ccc(C(=O)N(C)C)cc21	962931527	NUVAPHOQVYTLIW-QHCPKHFHSA-N	394.471	2.300	0	1	GEAF	
O=C(NCc1ccc(CN2CCOCC2)cc1)c1csc2ncnc(O)c12	1857613429	KIPHUBKEJMESQU-UHFFFAOYSA-N	384.461	2.159	0	1	GEAF	
CC(C)(CCc1ccc(O)cc1)NC[C@H](O)c1cc(O)cc2c1OCC(=O)N2	1911577514	IIRBASQAPZODAU-SFHVURJKSA-N	386.448	2.463	0	1	GEAF	
Cc1ccccc1-c1cc2nc(NCCN3CCNC3=O)n(C)c(=O)c2s1	61929579	PHECQMJBFMCWEQ-UHFFFAOYSA-N	383.477	2.408	0	3	GEAF	
CC[C@H]1C(=O)NCCN1C(=O)c1cc(COc2ccc(OC)cc2Cl)[nH]n1	12317310	YNPNXFYYPMCICC-HNNXBMFYSA-N	392.843	2.001	0	1	GEAF	
N[C@@]1(C(=O)O)[C@H](OCc2cc(Cl)ccc2Cl)C[C@@H]2[C@H]1[C@@]2(F)C(=O)O	13582203	OTFAVLWPASEDDS-YUVXLREMSA-N	378.183	2.103	0	1	GEAF	
COc1ccc(COc2cc(OC)c(OC)c(OC)c2)cc1OC[C@@H](O)CO	13607905	MGYHEJDITQIJLQ-AWEZNQCLSA-N	394.420	2.032	0	1	GEAF	
O=C(O)[C@H]1Cc2c([nH]c3ccccc23)[C@@](O)(c2c[nH]c3ccccc23)C(=O)N1	14585623	GRSYCGMRONDEOH-UTKZUKDTSA-N	375.384	2.011	0	1	GEAF	biogenic
COc1ccccc1[C@H]1c2[nH]c3ccccc3c2C[C@@H]2C(=O)N(C)CC(=O)N12	15955465	WVAQDJIZCJOJTB-UTKZUKDTSA-N	375.428	2.491	0	1	GEAF	biogenic
COc1ccc([C@@H](O)CN[C@@H](C)CCc2ccc3c(c2)OCO3)cc1C(N)=O	27073419	XYORPFAZUCCVPS-GUYCJALGSA-N	386.448	2.167	0	1	GEAF	
COc1ccc2c3c1O[C@@H]1C(=O)[C@@H](C)C[C@]4(O)[C@@H](C2)N(CC2CCC2)CC[C@]314	40670054	HQDQOBZHPVEXBG-DKVSKIDGSA-N	383.488	2.465	0	1	GEAF	
CC(C)CCn1nc(-c2nc3ccccc3s2)nc2c(=O)n(C)c(=O)nc1-2	43079314	MYDWOGMGSXXIBZ-UHFFFAOYSA-N	382.449	2.160	0	1	GEAF	
COc1cc2nc(NC[C@H](O)CO)nc(NCCc3ccccc3)c2cc1OC	82128304	GJTIDSACSABBBZ-HNNXBMFYSA-N	398.463	2.067	0	1	GEAF	
O=C(c1nc2ccccc2[nH]1)N1CC[C@H](Oc2nccnc2C2=CCOCC2)C1	96168916	OLCZFKAXJUDOBK-HNNXBMFYSA-N	391.431	2.450	0	1	GEAF	
O=C(Nc1ccccc1N1CCNCC1)c1csc(N2Cc3cn[nH]c3C2)n1	96269622	WYXLJUGPOFKWSP-UHFFFAOYSA-N	395.492	2.048	0	1	GEAF	
CCN1CCN(Cc2nc3ccc(C(=O)O)cc3c(=O)n2-c2ccccc2)CC1	200874833	RYJQXGVJDUDUCU-UHFFFAOYSA-N	392.459	2.221	0	1	GEAF	
COc1ccc([C@]2(O)c3cc4c(cc3C(=O)[C@](C)(O)[C@H]2C)OCO4)cc1OC	238754852	KCRPLGSCZIUOOU-JSSOGRNISA-N	386.400	2.252	0	1	GEAF	
CNC(=O)Cn1c(=O)n(C2CCN([C@@H]3C[C@H]4CC[C@H]3C4)CC2)c2ccccc21	253863582	HPUKHZULLSYZHF-TWOQFEAHSA-N	382.508	2.375	0	1	GEAF	
Cc1ccc2[nH]c(-c3nn(CC(=O)O)cc3I)nc2c1	587185366	LFRMPQPXHFVLNB-UHFFFAOYSA-N	382.161	2.424	0	1	GEAF	
O=C(O)C[C@H](NC(=O)OCc1ccccc1)c1nc2cnc(Cl)[nH]c-2n1	587202700	KTQBHGOYQFCVKZ-JTQLQIEISA-N	375.772	2.400	0	1	GEAF	
N=c1[nH]c2nc([C@@H](N)CCCNC(=O)OCc3ccccc3)nc-2c(Cl)[nH]1	587259927	PGCZAIVRVHYEDW-NSHDSACASA-N	389.847	2.077	0	1	GEAF	
COc1cc2c3c(c1)O[C@@](CNC(=O)CCC(=O)O)(c1ccccc1)[C@@H](C2)C3=O	587430088	RBMNPKZVRHSONP-AOMKIAJQSA-N	395.411	2.319	0	1	GEAF	
COC(=O)CC[C@]1(C(=O)OC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	587593209	KOPLNRZOUBFSBG-JXFKEZNVSA-N	386.356	2.219	0	1	GEAF	
O=C(O)CCNc1nc(N2CCC(c3ccccc3)CC2)cc(-n2nccn2)n1	653694246	WDAMBMWWYMMLSX-UHFFFAOYSA-N	393.451	2.328	0	1	GEAF	
Cc1cc(Nc2nc(C(=O)N3CCNC[C@H]3C)nc3ccc(Cl)cc23)n[nH]1	1772654046	REYHGZRMWPEZMQ-LLVKDONJSA-N	385.859	2.492	0	1	GEAF	
Cc1ccc(CN2C[C@H](C)[C@@H](c3nc(=O)c4cnc(C5CCOCC5)n4[nH]3)C2)o1	1772655691	XICIHBUBEUWHBA-GUYCJALGSA-N	397.479	2.449	0	1	GEAF	
COc1cc(NC(=O)c2cccc(S(=O)(=O)N[C@H]3CCOC3)c2)ccc1F	1857744802	DYYPBWVPVWKSGC-AWEZNQCLSA-N	394.424	2.154	0	1	GEAF	
O=C(NCCOCCO)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccoc1	4055184	YAPVXSCWGNAJCZ-DOTOQJQBSA-N	378.812	2.150	0	1	GEAF	
O=C1Nc2ccc(S(=O)(=O)N3CCC[C@H]3COc3ccccc3)cc2C1=O	13676453	QKVWMYQCBWNCQH-ZDUSSCGKSA-N	386.429	2.054	0	1	GEAF	
COc1cc([C@@H]2c3cc4c(cc3C(=O)[C@@H]3COC(=O)[C@H]32)OCO4)cc(OC)c1O	14822178	OJDRVIHXHQXFSH-NXOUGTEYSA-N	398.367	2.256	0	1	GEAF	biogenic
CCc1cc(=O)n(C)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1	26180126	XEZRIERFVAMMEC-UHFFFAOYSA-N	388.431	2.005	0	1	GEAF	
C[C@@H](CC(=O)O)N1Cc2ccc(NC(=O)c3ccc4c(c3)CNCC4)cc2C1=O	72105257	UWKPPOAXIFLKJM-ZDUSSCGKSA-N	393.443	2.404	0	1	GEAF	
CCOc1ccccc1-c1nc(C(=O)N[C@H](C(=O)OCCN)C(C)C)cs1	82070213	QTGNYAVSDGOYHQ-INIZCTEOSA-N	391.493	2.465	0	1	GEAF	
CCCC(=O)N1CCC2(CC1)CN[C@@H](CO)c1c2c2ccc(OC)cc2n1C	95662381	UFJVLZSNHFFKDT-KRWDZBQOSA-N	385.508	2.484	0	1	GEAF	
O=C(Cc1cccnc1)N1[C@@H](CO)[C@H](c2ccccc2)[C@@H]1CNCC1CCC1	95895773	SGKWCGWZPXXLRV-QNWVGRARSA-N	379.504	2.369	0	1	GEAF	
CC(C)C[C@@H](NC(=O)c1ccc(NC(=O)N2Cc3cccnc3C2)cc1)C(N)=O	167875977	TVISTHMTJVFEAI-QGZVFWFLSA-N	395.463	2.259	0	1	GEAF	
CCc1ccc(Nc2ccc3c(c2)C(=O)N([C@@H]2CCC(=O)NC2=O)C3=O)cc1	169322213	JSZLPXYIVCJFMO-QGZVFWFLSA-N	377.400	2.394	0	1	GEAF	
Cc1nc2cccc(-c3cc4c([nH]3)CCNC4=O)c2nc1N[C@H]1CCCNC1	222225542	FAUDAQJUMHDILO-ZDUSSCGKSA-N	376.464	2.383	0	1	GEAF	
C/C=C(/C)C(=O)O[C@H](C1=C(C)[C@H](O)OC1=O)[C@]1(C)[C@H](C)[C@H]2CC[C@H]1[C@H](OC)O2	257657038	YEMKZDPASIYASW-HHJRRELUSA-N	394.464	2.480	0	1	GEAF	endogenous,in-man
CC(C)CCOc1cc2nc([C@@H](O)[C@@H](O)C(=O)O)[nH]c2cc1Br	586886092	DTPRAZQNCYXQBF-QWHCGFSZSA-N	387.230	2.229	0	1	GEAF	
CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2c(O)nc(O)nc2[nH]1	587111351	ATELWXXVGUHHKK-OAHLLOKOSA-N	381.314	2.183	0	1	GEAF	
COc1cc2c3c(c1)O[C@@H]([C@@H]1COCCN1C(=O)OC(C)(C)C)[C@@H](C2)C3=O	587436903	UZCIIKIIAOTOIO-SUNYJGFJSA-N	375.421	2.447	0	1	GEAF	
CS(=O)(=O)NCCC[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	587606530	HXDNLIGYTZFLEZ-HOCLYGCPSA-N	377.418	2.052	0	1	GEAF	
C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCN(S(C)(=O)=O)CC2)N1	587842614	UYXOSZCSSQDEFU-SNVBAGLBSA-N	391.306	2.373	0	1	GEAF	
C[C@]1(c2ccc(NC(=N)N)cc2)N[C@H](C(=O)O)Cc2c1cnc1ccccc21	963218130	CBGGUMVTLVYAFH-GHTZIAJQSA-N	375.432	2.403	0	1	GEAF	
COc1ccc(-c2cnc3c(N4CC[C@@H](NC(C)=O)C4)ccnn23)cc1OC	1911577977	QFRKTPVAMVWTLP-OAHLLOKOSA-N	381.436	2.128	0	1	GEAF	
CC1CCN(C[C@@H]2CN3CC[C@H]2C[C@@H]3CNS(=O)(=O)c2cccs2)CC1	2356645640	YDURHWHKIOPUKK-RCCFBDPRSA-N	397.610	2.469	0	1	GEAF	
CC=C[C@@H]1O[C@]2(O)C(=O)NC(=Cc3ccccc3)C(=O)N2[C@@H]2[C@@H](C)CCC[C@@H]12	2356700673	DQBLPIKDHLUJNM-JFJVLCAJSA-N	382.460	2.412	0	1	GEAF	
CC(=O)c1ccc(N2C(=O)[C@@H]3CN(C(=O)NC4CCCCC4)CCN3C2=O)cc1	8295858	IKAFSJXCNGDQOY-SFHVURJKSA-N	398.463	2.384	0	1	GEAF	biogenic
CCNC[C@@H]1CCN(c2c(F)c(O)c3c(=O)c(C(=O)O)cn(CC)c3c2F)C1	13649716	PNHCXCTWESNAEJ-JTQLQIEISA-N	395.406	2.139	0	1	GEAF	
COc1cc([C@@H](O)[C@H]2CO[C@@H](c3ccc(O)c(OC)c3)[C@@H]2CO)ccc1O	14435808	MWQRAOGWLXTMIC-ITHTXLDVSA-N	376.405	2.145	0	1	GEAF	
CC(C)CN[C@@H]1CO[C@@H]2[C@@H](Nc3nccc(-c4ccc(N(C)C)cc4)n3)CO[C@@H]12	25435400	RZHJEQPLMZYSSN-IVAOSVALSA-N	397.523	2.402	0	1	GEAF	biogenic
CC(C)(C)c1cc(NC(=O)N2CCCN(C(=O)C3CCNCC3)CC2)no1	71329932	ZWVYVOGHOIVRBT-UHFFFAOYSA-N	377.489	2.038	0	1	GEAF	
Cc1ccccc1-c1nc(C(=O)N2CCC[C@@H](C(=O)N3CCCNCC3)C2)co1	82069499	XWBSBRYKVZZFPZ-QGZVFWFLSA-N	396.491	2.324	0	1	GEAF	
CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@H](C)NC[C@@H]1C	95679882	CWLHXXSWRNJMCP-CKFHNAJUSA-N	389.496	2.129	0	1	GEAF	
O=C(C1CCC1)N1CC2(C1)[C@@H](c1ccccc1)[C@H](CO)N2C(=O)c1ccccn1	95796400	BMHXABSJKWWWIL-PMACEKPBSA-N	391.471	2.063	0	1	GEAF	
OC1CCN(c2nccnc2OC2CN(c3ccc4ccccc4n3)C2)CC1	96168704	VLSWVWPJONPXEJ-UHFFFAOYSA-N	377.448	2.254	0	1	GEAF	
Cc1c(NC(=O)COC(=O)[C@H]2C[C@H]3C=C[C@@H]2C3)c(=O)n(-c2ccccc2)n1C	169303342	QXORCEWNUQJSFW-UXLLHSPISA-N	381.432	2.178	0	1	GEAF	
Nc1ncc(-c2ccc(-c3cccnc3C(=O)N3CCOCC3)cc2F)cn1	224761414	FJGDZBYDXBZXPL-UHFFFAOYSA-N	379.395	2.399	0	1	GEAF	
O=C(O)C[C@@H](NC(=O)OCc1ccccc1)c1nc2cnc(Cl)[nH]c-2n1	587202704	KTQBHGOYQFCVKZ-SNVBAGLBSA-N	375.772	2.400	0	1	GEAF	
NC(=O)c1ccc2nc([C@H](CC(=O)O)NC(=O)OCc3ccccc3)[nH]c2c1	587203003	MIZASLFWNKIMFH-HNNXBMFYSA-N	382.376	2.104	0	1	GEAF	
COC(=O)[C@H]1c2ccc(OC)nc2CC[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3	587436183	MWDKOWNFJPSVRY-WTGRHJARSA-N	395.411	2.488	0	1	GEAF	
C=CN1CC[C@H]([C@@]2(c3cnccn3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C1=O	587438176	NGLUKRQBPRWAAM-PDSXEYIOSA-N	377.400	2.120	0	1	GEAF	
COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@H](C)NS(C)(=O)=O	587863405	INBYPYSQZMNYMD-VIFPVBQESA-N	391.371	2.155	0	1	GEAF	
CC1=C[C@H](CN2CCN(CCO)CC2)[C@@H](C(C)C)C[C@@H]1Cc1nnc(C)o1	2356300154	AORZHWVQPWCCCB-VAMGGRTRSA-N	376.545	2.385	0	1	GEAF	
O=c1ccc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1	12355131	IEQUHIKSZOVGIM-UHFFFAOYSA-N	391.479	2.455	0	1	GEAF	
CC(C)[C@H](NC(=O)CN1CCc2c([nH]c3ccccc23)C1=O)C(=O)C(F)(F)F	13740119	SINJCQUHUJYHFY-HNNXBMFYSA-N	395.381	2.438	0	1	GEAF	
COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OCCCCCCN	28017113	KJROBYOAHLBHAC-UHFFFAOYSA-N	375.473	2.147	0	1	GEAF	
Cc1ccn(CC(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)n1	49068766	XDHYFBIGEHVUPM-FQEVSTJZSA-N	379.464	2.091	0	1	GEAF	
CCCN1[C@@H]2Cn3c(cccc3=O)[C@H]1[C@@H](C(=O)N[C@@H](C)c1ccccc1)[C@@H]2CO	95797066	ZESUQDBSRMXGBY-UUGVWGGVSA-N	395.503	2.099	0	1	GEAF	
CCCCn1c(=O)c(C(=O)NC2C[C@@H]3CC[C@H](C2)N3C)c(O)c2cccnc21	100743175	XLVVGMWYXBVUJZ-GOOCMWNKSA-N	384.480	2.257	0	1	GEAF	
COc1ccc2c(c1)[C@]13CCN(CC4CC4)[C@H](C2)[C@]1(O)C[C@H](CCO)C(=O)C3	217090229	WCTMMHOXMUBVQK-XCYUPCBOSA-N	385.504	2.066	0	1	GEAF	
COc1ccc2c3c1O[C@H]1C(=O)[C@@H](C)C[C@]4(O)[C@@H](C2)N(CC2CCC2)CC[C@]314	253669735	HQDQOBZHPVEXBG-FMCSQJBOSA-N	383.488	2.465	0	1	GEAF	
C=CS(=O)(=O)N[C@H]1CCCN(C(=O)c2ccc(-c3ccnc(Cl)n3)o2)C1	621485619	BMQMUCNNYJQKPA-NSHDSACASA-N	396.856	2.058	0	1	GEAF	
CNC[C@]1(c2ccc(O)cc2)N[C@H](C(=O)O)Cc2cc(OC(F)(F)F)ccc21	962624184	BGMNFSSFMSSVAX-FUHWJXTLSA-N	396.365	2.353	0	1	GEAF	
COc1cc2nc(N3CCCC3)nc(NS(=O)(=O)C3CC3)c2cc1OC	1772594122	JVKHNHSHHPTNFV-UHFFFAOYSA-N	378.454	2.151	0	1	GEAF	
CN(C)Cc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](CO)C3)cc1	1772603672	HUBSGXCDUQSQLS-CYBMUJFWSA-N	387.505	2.258	0	1	GEAF	
CC(C)(C)CN1CCC(NC(=O)c2nc3c(C(N)=O)cc(F)cc3[nH]2)CC1	1772604996	RBANKGXIRGNBSA-UHFFFAOYSA-N	375.448	2.041	0	1	GEAF	
COCCN(CCOC)C[C@H]1CC[C@H](c2nnn3cnc4[nH]ccc4c23)CC1	1772636465	TXFAESZFRFAIQE-WKILWMFISA-N	386.500	2.474	0	1	GEAF	
CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc3c(=O)n(O)c(O)nc3c2)cc1	1857598756	DBXDJBNZIHUPGX-UHFFFAOYSA-N	389.433	2.438	0	1	GEAF	
C[C@]12[C@@H](O)C[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)C(C3=CC(=O)OC3)=CC[C@]12O	2356399481	WRKFAUIZIHPQGB-SPIPRHLRSA-N	388.504	2.495	0	1	GEAF	
CC(C)Cn1c(=O)n(C)c(=O)c2[nH]c(Cc3ccc(Br)cc3)nc21	13587135	CHLCOBNVQPQFIG-UHFFFAOYSA-N	391.269	2.433	0	1	GEAF	
COc1cc(O)c(-c2oc3cc(O)c(OC)c(O)c3c(=O)c2OC)cc1O	15271479	GYDHMMZXCZJRCI-UHFFFAOYSA-N	376.317	2.308	0	1	GEAF	biogenic
C[C@@H]1C[C@](C)(O)[C@@H]2[C@@]3(C)CCC[C@@]2(COC3=O)[C@@]12CC[C@@]1(CCOC1=O)O2	17039973	SXRSWIKTOZHQDT-DXFWBCRISA-N	378.465	2.362	0	1	GEAF	
O=C1O[C@@H](c2ccc3c(c2)OCO3)[C@@H]2C(=O)O[C@H](c3ccc4c(c3)OCO4)[C@H]12	17917286	APOQDYUENSVQGT-TVFCKZIOSA-N	382.324	2.272	0	1	GEAF	biogenic
CN1C(=O)c2ccccc2[C@@H](C(=O)NCCN2CCOCC2)[C@H]1c1cccs1	20115975	KFBICLAPAOMJAY-RTBURBONSA-N	399.516	2.107	0	1	GEAF	
COC[C@H](Cc1ccccc1)Nc1nc(N2CC[C@@H](NC(C)=O)C2)ncc1C	82204304	VMLSSCSMBCRJLH-MOPGFXCFSA-N	383.496	2.169	0	1	GEAF	
C[C@@H](CO)NC(=O)c1c[nH]c2ncc(-c3nn(C)c4cc(Cl)ccc34)nc12	95603498	INNBDJOVFDAQNL-VIFPVBQESA-N	384.827	2.276	0	1	GEAF	
CNc1nc(C)c2cc(-c3ccc(OC)nc3)c(=O)n(C[C@H]3CCOC3)c2n1	117778623	TVRCVLINZTZXLC-CYBMUJFWSA-N	381.436	2.249	0	1	GEAF	
O=C(CNC(=O)c1ccccc1)NN1C(=O)CS[C@@H]1c1cccc(Cl)c1	299837267	OGXWBDVNSZSINE-GOSISDBHSA-N	389.864	2.375	0	1	GEAF	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(NCC(=O)O)nc2)N1	587757480	VBPMMSJKENGRBH-AYVTZFPOSA-N	395.232	2.498	0	1	GEAF	
CCN1C(=O)N[C@@H]2C[C@H](C(=O)N[C@@H](c3nc(C)cs3)C3CC3)CC[C@@H]2C1=O	618015467	WDWNMQJJWJUBIS-LXTVHRRPSA-N	390.509	2.375	0	1	GEAF	
CS(=O)(=O)N1CCC([C@@H](O)c2cncnc2Nc2ccc(F)cc2)CC1	1772570427	IAYSRSZRQAAKQV-MRXNPFEDSA-N	380.445	2.064	0	1	GEAF	
O[C@H](CNC[C@H]1CC[C@H](c2nnn3cnc4[nH]ccc4c23)CC1)C(F)(F)F	1772631161	HRCVWKBCORXYFS-NQBHXWOUSA-N	382.390	2.392	0	1	GEAF	
COC(=O)Nc1n[nH]c2cc(NC(=O)N[C@H]3COc4ccccc4C3)ncc12	1772648490	ZEDAYVIUOIMNDM-LLVKDONJSA-N	382.380	2.261	0	1	GEAF	
C[C@@H](N=c1nc(-c2cccc(C(F)(F)F)n2)[nH]c(=N[C@H]2CCOC2)[nH]1)C1CC1	1857655336	RWSYXAQFFAQAEC-PWSUYJOCSA-N	394.401	2.207	0	1	GEAF	
COc1ccc(C[C@@H]2COC(=O)[C@H]2[C@H](O)c2ccc3c(c2)OCO3)cc1OC	2356724837	ARVNAKBKMLHRDP-JSNMRZPZSA-N	386.400	2.498	0	1	GEAF	
C1=CC(c2noc([C@H]3CCCN3Cc3cccnc3)n2)=C[C](N2CCOCC2)N1	2356873969	GLJAWYATTLABCP-GOSISDBHSA-N	393.471	2.124	0	1	GEAF	
C[C@@H]1C[C@@]2(S(=O)(=O)c3ccccc3)ON1C[C@H]2S(=O)(=O)c1ccccc1	1617495	FKVMUDUSITZBLP-OLMNPRSZSA-N	393.486	2.039	0	1	GEAF	
COc1nc(N2CCN(CCC[C@H](O)c3ccc(F)cc3)CC2)ncc1F	13730891	LTCULVKPMWAHBA-KRWDZBQOSA-N	378.423	2.399	0	1	GEAF	
COc1cc2c(cc1OS(=O)(=O)O)C[C@@H]1NCCc3cc(OC)c(O)c-2c31	95099667	QXNNNQLHPKSGNF-LBPRGKRZSA-N	393.417	2.001	0	1	GEAF	biogenic,in-vitro
CC(=O)NC[C@H]1[C@@H](c2ccc(-c3cccnc3)cc2)[C@@H](CO)N1C(=O)CC1CC1	95794030	RFUYSUKLMALKFK-QZNHQXDQSA-N	393.487	2.340	0	1	GEAF	
CC(C)N1CCN(C(=O)N2CC[C@@]3(CCCN(C4CCOCC4)C3)C2)CC1	103243061	ZWHGFDXNUSGJQN-OAQYLSRUSA-N	378.561	2.099	0	1	GEAF	
Nc1nnc(-c2ccc3[nH]cc(-c4nccc(N5CCC[C@@H](O)C5)n4)c3c2)o1	145437162	MAHUZUBWHKQCIH-GFCCVEGCSA-N	377.408	2.218	0	1	GEAF	
CN(C)S(=O)(=O)n1ccnc1[C@H]1NCCc2cccc(-c3ccccc3)c21	962671177	SQZLCPGCSGIHLM-IBGZPJMESA-N	382.489	2.440	0	1	GEAF	
O=C(NCCN1CCNCC1)Nc1ncccc1OCc1cccc(Cl)c1	1772586046	LSEANNPCHOWRBC-UHFFFAOYSA-N	389.887	2.341	0	1	GEAF	
Cc1c(C(=O)N2CC[C@]3(CCCCN3)C2)cnn1-c1nc(O)c2sccc2n1	1857590376	FTBDJUMBLJIPDN-LJQANCHMSA-N	398.492	2.249	0	1	GEAF	
CCN(CC)C[C@@H]1CN2CC[C@H]1C[C@H]2CNS(=O)(=O)c1ccc(OC)cc1	2356298412	BNOHPXUQPWJENJ-KSZLIROESA-N	395.569	2.026	0	1	GEAF	
S=C(NCc1ccco1)NC[C@@H]1C[C@H]2CCN1C[C@H]2CN1CCCCC1	2356298462	DTHRTXROSODHPY-KURKYZTESA-N	376.570	2.440	0	1	GEAF	
COCC(=O)N[C@@H]1CC[C@]2(C)CC[C@H]([C@H](C)C(=O)NC(C)(C)C)[C@H](O)[C@H]2[C@@H]1C	2356317492	VYFULSKOMZIRSA-LXNXXNOPSA-N	396.572	2.492	0	1	GEAF	
COc1ccc2nc(-c3ccc(OC[C@H](O)CNC(C)C)cc3)n(C)c(=O)c2c1	34592943	RNFBBRXRAZCIBZ-MRXNPFEDSA-N	397.475	2.347	0	1	GEAF	
CCCNC(=O)N1[C@H](CO)[C@@H](c2ccccc2)[C@@H]1CNC(=O)c1ccccc1	95895328	BDBCNCHRSQLNJW-ZCNNSNEGSA-N	381.476	2.365	0	1	GEAF	
Nc1ccc(-c2cccnc2)nc1C(=O)Nc1cnccc1N1CCC[C@H](N)C1	103236839	VNHNIGCSETXKQL-HNNXBMFYSA-N	389.463	2.301	0	1	GEAF	
O=C([C@@H]1CCCO1)N1CCN(C[C@@H](NCc2ccccn2)c2ccccc2)CC1	116235202	PSFYBZOFVANRRZ-YADHBBJMSA-N	394.519	2.236	0	1	GEAF	
COc1ccc2cc([C@@H](C)C(=O)OC[C@@H](CO[N+](=O)[O-])O[N+](=O)[O-])ccc2c1	137101051	DHMLCNFGWGUOSW-BZNIZROVSA-N	394.336	2.280	0	1	GEAF	investigational
CSc1ccc(/C=C/S(=O)(=O)Nc2ccccc2S(N)(=O)=O)cc1	144027062	BKBFCBFQMAJTHR-ZHACJKMWSA-N	384.504	2.469	0	1	GEAF	
N[C@@H]1NC(=S)NN=C1n1c(-c2ccccc2)c(C(=O)O)c2cc(F)ccc21	169346668	FRUROWRCIZSQPB-OAHLLOKOSA-N	383.408	2.070	0	1	GEAF	
COc1ccc(S(=O)(=O)N[C@H](c2nc3ccnc(Cl)c3[nH]2)[C@H](C)O)cc1	586939500	UZVMOHRCMRESLZ-ZANVPECISA-N	396.856	2.020	0	1	GEAF	
Nc1nccnc1C(=O)NN1C(=O)CS[C@H]1c1ccc(Cl)cc1Cl	653918424	BGXXVJSJIVSDRC-AWEZNQCLSA-N	384.248	2.285	0	1	GEAF	
CC(=O)N1C[C@H](C)S[C@@H]2C[C@H](S(=O)(=O)NCc3ccccc3)CC[C@H]21	914431252	XWNJYOGTDUJRND-OKDNKWQNSA-N	382.551	2.380	0	1	GEAF	
NCC[C@]1(c2ccccc2N)N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21	962973142	VBPUKGVWOBKUFX-RDTXWAMCSA-N	381.810	2.392	0	1	GEAF	
CCn1cc([C@@]2(CC(=O)C(=O)OC)NCCc3c2sc(C)c3C)c(C)n1	963004170	BEYHCQFYPXLFSH-LJQANCHMSA-N	375.494	2.411	0	1	GEAF	
C[C@H]1C[C@H]2CSC(=N)N[C@@]2(c2nc(NC(=O)c3ccncn3)cs2)CO1	1772585498	PXWFEBPIVDFJNU-PUTJDCORSA-N	390.494	2.077	0	1	GEAF	
CC(C)=CC[C@@H]1C(=O)N2c3ccccc3[C@H]1[C@@]21NC(=O)C(=Cc2c[nH]cn2)N1	2356378357	GZLJILCJSJSFSB-RRMPHLOHSA-N	375.432	2.240	0	1	GEAF	
O=C(Nc1ccc(-n2cnnn2)cc1)[C@@H]1CCCN1C(=O)NC1CCCCC1	1379362	FLTKEMQAHQWTOK-KRWDZBQOSA-N	383.456	2.108	0	3	GEAF	
CCC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)N3CCC[C@H](C)C3)ccc21	6730527	IRBWBPDGFBFXCI-HNNXBMFYSA-N	392.521	2.408	0	3	GEAF	
CN(C)c1ncc2nc(-c3cc(F)cc(F)c3)c(=O)n(C[C@H]3CCCO3)c2n1	4238736	XXAJCIFLZJMYEO-CQSZACIVSA-N	387.390	2.377	0	1	GEAF	
CN1[C@H]2CC[C@@H]1CCN(c1nc3c(cc1F)c(=O)c(C(=O)O)cn3C1CC1)C2	13650310	FJWKRSUVHKMSSF-YPMHNXCESA-N	386.427	2.242	0	1	GEAF	
CN1C(=O)c2ccccc2[C@H](C(=O)NCCN2CCOCC2)[C@@H]1c1cccs1	20115969	KFBICLAPAOMJAY-OALUTQOASA-N	399.516	2.107	0	1	GEAF	
CN1CCN([C@@H]2c3ccccc3C3(CCN(Cc4ccoc4)CC3)[C@H]2O)CC1	20868227	UXCBLCGPQMGZRB-YADHBBJMSA-N	381.520	2.476	0	1	GEAF	
O=C(N[C@@H]1C(=O)N(Cc2ccccc2)C[C@@H]1C(=O)O)c1cc2ccccc2[nH]1	28248908	HWKULYMHVBKFRC-YJBOKZPZSA-N	377.400	2.010	0	1	GEAF	
CC(C)=C[C@H](O)[C@H]([C@@H](O)CCC1(C)OCCO1)S(=O)(=O)c1ccccc1	31900681	RDJDOTSCUNITOZ-BZSNNMDCSA-N	384.494	2.060	0	1	GEAF	
N[C@@H](CC(=O)N1CCC[C@H]1CNc1ncccn1)Cc1cc(F)c(F)cc1F	43119855	DWDQEEKCGYZRIY-KGLIPLIRSA-N	393.413	2.257	0	1	GEAF	
C[C@@H]1COCCN1c1cc(CS(C)(=O)=O)nc(-c2ccc3[nH]ccc3c2)n1	84757913	XMHSFTLIAYTIQQ-CYBMUJFWSA-N	386.477	2.395	0	1	GEAF	
C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(=O)C3CC3)[C@@H]2CNC(=O)NC(C)C)cc1	95668107	ZSUGEGVLQGZVEF-KNPSKYOESA-N	385.508	2.493	0	1	GEAF	
COC(=O)C1=C(C(=O)OC)[C@H]2O[C@H]1C(c1ccc(O)cc1)=C2c1ccc(O)cc1	101075988	CRLQCBACIMUGDZ-PMACEKPBSA-N	394.379	2.432	0	1	GEAF	
COc1ccc(Nc2ncc(-c3ccnnc3)cc2-c2nc(C)nc(N)n2)cn1	113154557	KRJJXPUSYAUMIN-UHFFFAOYSA-N	387.407	2.428	0	1	GEAF	
COc1ccc(S(=O)(=O)N(Cc2cccnc2)[C@@H](CCF)C(=O)O)cc1	204783325	ZZNYWQSQHHAWBQ-INIZCTEOSA-N	382.413	2.094	0	1	GEAF	
CO[C@@H]1CCS(=O)(=O)N(C[C@H](O)Cn2c3ccccc3c3ccccc32)C1	223910334	BKNAJIHNTCWIDD-JKSUJKDBSA-N	388.489	2.206	0	1	GEAF	
COc1ccc(S(=O)(=O)N[C@@H](c2nc3cc(C)c(F)cc3[nH]2)[C@@H](C)O)cc1	586937852	OARATWZKNWPNNC-PIGZYNQJSA-N	393.440	2.419	0	1	GEAF	
NC(=O)c1cccc2nc(CCC(=O)Nc3nnc(-c4ccncc4)s3)[nH]c12	587024114	OFFCWDOTSODVJT-UHFFFAOYSA-N	393.432	2.147	0	1	GEAF	
Cc1sc2c(c1C)CCN[C@@]2(Cn1nnc(N2CCOCC2)n1)C(C)(C)C	963035166	ZSUCDLNOLYTFDT-LJQANCHMSA-N	390.557	2.275	0	1	GEAF	
C[C@@]1(c2ccc(C(=O)O)cc2)NC(=O)N(CC(=O)c2ccc(F)cc2F)C1=O	1857585556	MTFBNZRVTLRWBX-IBGZPJMESA-N	388.326	2.313	0	1	GEAF	
COc1ccc2[nH]c(C(=O)N3CC(=O)N(Cc4ccccc4)[C@@H](CO)C3)cc2c1	1857609772	BAMUKXMOFXIHCF-QGZVFWFLSA-N	393.443	2.022	0	1	GEAF	
COc1ccc2c(c1)[C@@H]1[C@H](CO2)[C@H](c2ccccc2)[C@]2(C)C(=O)NCC(=O)N12	36388997	HXNHUGCFXQFIEZ-CJXUKZFBSA-N	378.428	2.259	0	3	GEAF	
O=C(NCc1cccnc1)c1cc([C@@H]2CCCN(C(=O)c3ccccn3)C2)on1	61896557	XSQMACCHHKXHCI-MRXNPFEDSA-N	391.431	2.414	0	3	GEAF	
CN1CCn2cnc(C(=O)Nc3ccc(CNC(=O)OC(C)(C)C)cc3)c2C1=O	61921825	WZBCUWVNDXDSEQ-UHFFFAOYSA-N	399.451	2.246	0	3	GEAF	
CCSc1nc(=O)c([C@H]2OC(=O)c3c2ccc(OC)c3OC)c(O)n1CC	103932800	MMQGGKBKLUQFFQ-ZDUSSCGKSA-N	392.433	2.358	0	3	GEAF	
COc1ccc([C@]2(O)c3cc4c(cc3C(=O)[C@]2(C)C(C)=O)OCO4)cc1OC	13306242	MSTPUIOMVZYEKG-SFTDATJTSA-N	384.384	2.460	0	1	GEAF	biogenic
O=c1[nH]c(=O)n(COCCO)cc1Cc1cccc(Oc2cccc(F)c2)c1	13605703	JVWHIVKURNNASC-UHFFFAOYSA-N	386.379	2.025	0	1	GEAF	
Cn1ncc(N2CC[C@H](CNC(=O)c3cccc(-c4ccco4)c3)C2)cc1=O	23620163	VKWIVZADMLFSNR-OAHLLOKOSA-N	378.432	2.297	0	1	GEAF	
Cc1cc(Nc2nc(CN3CCOCC3)cn3c(-c4cn[nH]c4)cnc23)sn1	72108802	KRUCYZFEUFVOHN-UHFFFAOYSA-N	396.480	2.460	0	1	GEAF	
COc1c2c(cc3c1[C@H]1[C@@H](c4ccc5c(c4CN1C)OCO5)[C@H](O)C3)OCO2	85529964	FYMTWGUKLAVFLL-BVGQSLNGSA-N	383.400	2.340	0	1	GEAF	biogenic,in-vitro
CCN(C[C@@H]1N[C@@H](CO)[C@H]1c1ccc(-c2cccc(F)c2)cc1)C(=O)CN(C)C	95565616	JFPSSIPVMNONBM-FUDKSRODSA-N	399.510	2.319	0	1	GEAF	
CCC(=O)N1CCC2(CC1)CN(C(C)=O)[C@H](CO)c1[nH]c3cc(OC)ccc3c12	95865525	WOVJOTWVLNCYMU-GOSISDBHSA-N	399.491	2.342	0	1	GEAF	
CCN(C[C@@H]1N[C@@H](CO)[C@@H]1c1ccc(-c2ccc(F)cc2)cc1)C(=O)COC	95895735	JTUOZIKDJHIQCB-JAXLGGSGSA-N	386.467	2.404	0	1	GEAF	
NC(=O)CNc1cc(C(N)=O)nc(-c2ccc(Oc3ccc(F)cc3)cc2)n1	142446793	WIRIYNCENYMPBP-UHFFFAOYSA-N	381.367	2.071	0	1	GEAF	
C=C(C)[C@H]1CC2=C(C(=O)OC)[C@@H]3O[C@@](C)(CC3=O)C[C@@H]3C=C(C(=O)O3)[C@H](C1)O2	299806495	UNTGQDGFBQQJKZ-SXQINEJHSA-N	388.416	2.157	0	1	GEAF	
COc1cc([C@H]2Oc3cc4ccc(=O)oc4cc3O[C@@H]2CO)cc(OC)c1O	535384660	GIQLHVXLWDFBDW-YLJYHZDGSA-N	386.356	2.389	0	1	GEAF	biogenic,in-vitro
C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc(C(F)(F)F)ncc2[nH]1	586958705	LBRVOFYKXLIIFW-CQSZACIVSA-N	386.355	2.446	0	1	GEAF	
COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CN(C)S(C)(=O)=O	587863392	IDPFMWNLYKFVEQ-UHFFFAOYSA-N	391.371	2.109	0	1	GEAF	
COC(=O)[C@@H]1CC[C@@]2(C[C@H]1C(=O)OC)NCCc1cc3cccc(OC)c3nc12	963050559	CORKXYRIGFYCRT-MCFFVMPBSA-N	398.459	2.347	0	1	GEAF	
COC(=O)C1=C2CCC3=C2[C@@]2(C1)[C@@]1(C)CC[C@@H]4[C@H](C)CN(C[C@H]1C[C@H]3O)[C@]42O	2356868983	XGTHDNFQKJWUPJ-UKOGDBJFSA-N	385.504	2.388	0	1	GEAF	
CCCS(=O)(=O)NC(=O)[C@@]1(C)CCCN(C(=O)c2c(F)cccc2F)C1	61928548	KJDIPMOTKRNTML-KRWDZBQOSA-N	388.436	2.063	0	3	GEAF	
COc1ccc(-c2oc3c(c2C(=O)OCCO)[C@H](OCCO)CCC3)cc1	95601680	WOBXDVIWBGZJIT-OAHLLOKOSA-N	376.405	2.491	0	3	GEAF	
CCC(=O)N1[C@@H](C(=O)NCc2ccc(OC)cc2)CSC12CCN(C)CC2	6943483	MCHAMDVVCOUGPD-QGZVFWFLSA-N	391.537	2.087	0	1	GEAF	
CN(CCc1ccccc1)C[C@H]1NC(=O)O[C@@H]1COC(=O)Cc1ccccc1	29047553	HKIHRCWOVYXQSK-WOJBJXKFSA-N	382.460	2.424	0	1	GEAF	
CNc1nc2[nH]c(-c3cccc(CNC(=O)CCOC)n3)cc2c2c1ncn2C	73195625	GDQLIPSXRCBZSX-UHFFFAOYSA-N	393.451	2.206	0	1	GEAF	
C[C@H](NC(=O)c1coc(-c2ccc3ccccc3c2)n1)C(=O)N1CCCNCC1	82083541	WQVOQRXMGBLMJR-HNNXBMFYSA-N	392.459	2.435	0	1	GEAF	
O=S(=O)(c1ccccc1)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2CC1CC1	95664217	GHWIDDQEEQSIPI-RTWAWAEBSA-N	398.528	2.300	0	1	GEAF	
CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)O)O[C@@H]1CO2	95888590	AQKQROKSGQSFNM-JLJPHGGASA-N	390.436	2.281	0	1	GEAF	
C/C=C/c1ccc([C@@H]2[C@@H](CO)N(C(=O)NCCC)[C@H]2CNC(=O)C2CC2)cc1	95894830	NJQPGASMIDWZCK-ULIIIPJZSA-N	385.508	2.494	0	1	GEAF	
CCC(=O)N1[C@H](CN(C)C(C)=O)[C@H](c2ccc(-c3cccnc3)cc2)[C@@H]1CO	95895356	BKBOAOSUDHSALI-URVUXULASA-N	381.476	2.292	0	1	GEAF	
CC1=N[C@]2(O)c3ccccc3C(=O)[C@]2(O)/C1=C(\O)OCCOc1ccccc1	103935015	JMRKCJPKRQWYDT-LRXLKNFVSA-N	381.384	2.099	0	1	GEAF	
CN(CCOc1ccc2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2)C(=O)CO	144813046	HQGRHCZKQMWIOU-SFHVURJKSA-N	381.350	2.295	0	1	GEAF	
CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2ccc(S(N)(=O)=O)cc2[nH]1	587233937	XGVDLXFTXIWJHS-RYUDHWBXSA-N	380.470	2.371	0	1	GEAF	
CCOC(=O)[C@@H]1CCNC(=O)[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12	587799811	YVMQCPFGBIQERJ-MIHTYCSTSA-N	399.260	2.017	0	1	GEAF	
N[C@@H](Cc1cc(Cl)c(Cl)c(-c2cccc(S(N)(=O)=O)c2)c1)C(=O)O	653687054	CDKACIGVXOHPFH-ZDUSSCGKSA-N	389.260	2.262	0	1	GEAF	
O=C(Nc1ccc(Br)nc1)C(=O)N[C@@H]1CCNC2(CCCCC2)C1	1857572378	YYHQLEBWEXXFGZ-GFCCVEGCSA-N	395.301	2.354	0	1	GEAF	
CC(C)(O)[C@H]1Cc2cc(CC3=C(c4ccc(O)cc4)C(=O)NC3=O)ccc2O1	2356817473	DLGMRSRFZWKWCV-GOSISDBHSA-N	379.412	2.119	0	1	GEAF	
O=C(Nc1ccccc1)O[C@@H]1CO[C@@H]2[C@@H]1OC[C@@H]2n1nnnc1-c1ccccc1	2356862277	UYQGLCKCMQQNQH-XWTMOSNGSA-N	393.403	2.296	0	1	GEAF	
CCOC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OCC)[C@@H]1c1c[nH]c2ccccc12	4729144	HQBFXHCSFCYATJ-IKVWTGGYSA-N	387.432	2.334	0	1	GEAF	
C[C@@]1(O)OC(=O)C(Oc2ccc(F)c(F)c2)=C1c1ccc(S(C)(=O)=O)cc1	13488624	FQAOARDGZGUJND-GOSISDBHSA-N	396.367	2.424	0	1	GEAF	
CCOC(=S)NC[C@H]1CN(c2cc(F)c3c(c2)OC[C@@H]2CCCN32)C(=O)O1	27311583	JPOYNNUGQHCDRI-AAEUAGOBSA-N	395.456	2.423	0	1	GEAF	
N[C@H]1CN(c2cc(N3CCCC3)ncn2)C(=O)C[C@@H]1c1cc(F)c(F)cc1F	36310922	SWTNFQIJECBFOV-WBMJQRKESA-N	391.397	2.342	0	1	GEAF	
O=C(NCc1ccco1)[C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O	36383903	VWNCTUPXYXYUEH-HHUCQEJWSA-N	390.439	2.314	0	1	GEAF	
O=C(O)C[C@@H](NC(=O)CCC(=O)Nc1ccc2c(c1)CNCC2)c1ccccc1	62224141	TWQKVYIVXPBLEV-LJQANCHMSA-N	395.459	2.383	0	1	GEAF	
Cn1cc(-c2cc(C(=O)NCCCCC(=O)Nc3ccccc3N)on2)cn1	117588819	BQWHMNBAQNFMPB-UHFFFAOYSA-N	382.424	2.196	0	1	GEAF	
Cc1ccnc(OC[C@H]2CN(CC(=O)N3c4ccccc4C[C@H]3C)CCO2)c1	222447227	ZGWKETCDELPQRC-IEBWSBKVSA-N	381.476	2.447	0	1	GEAF	
COC(=O)[C@]1(C)CCC[C@]2(CO)[C@H]3C[C@@]4(O)OC(=O)C=C4[C@H](C)[C@@H]3CC[C@H]21	473144305	ANVFGLCWJQWCRP-IHGKSPJCSA-N	378.465	2.182	0	1	GEAF	
Nc1cc2nc(CCN3C(=O)COc4cc(Br)ccc43)[nH]c2cn1	587002190	IZOKEUAJBNUIMN-UHFFFAOYSA-N	388.225	2.271	0	1	GEAF	
COc1ccc2c(c1OC)C1(CC(C(N)=O)C1)N(C(=O)c1ccccc1N)CC2	963150602	GDFXDLNOXXGHJN-UHFFFAOYSA-N	395.459	2.075	0	1	GEAF	
NC[C@@]1(c2nc[nH]c2N)NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21	963819533	XOGQSWLEESKFSP-JOCHJYFZSA-N	388.475	2.400	0	1	GEAF	
Cc1ccnc(Oc2ccc3nc(C(=O)N[C@H]4CCS(=O)(=O)C4)ccc3c2)n1	1772622011	HQWCQCCGZWTWOZ-AWEZNQCLSA-N	398.444	2.042	0	1	GEAF	
O=C(c1cccc(-c2ccccc2)c1)N1CC[C@@H](N2CCC(O)CC2)[C@H](O)C1	12192027	CLXLCRPNPFIIHX-FGZHOGPDSA-N	380.488	2.386	0	3	GEAF	
C[C@@H]1CCN(C2CC2)S(=O)(=O)c2ccc(N3CC[C@@H](N(C)C)C3)cc2O1	96019140	OHELCWVHBJXNSG-RHSMWYFYSA-N	379.526	2.151	0	3	GEAF	
O=C(C[C@@H]1C[C@H]2CC[C@@H]1C2)N1CCN(S(=O)(=O)c2ccccc2F)CC1	6237337	QGCMJWGMDIYFOI-XHSDSOJGSA-N	380.485	2.485	0	1	GEAF	
O=C(O)C(=O)Nc1sc2c(c1C(=O)O)CCN(CCCc1ccccc1)C2	13491492	VKIFVVUQAKQNLJ-UHFFFAOYSA-N	388.445	2.460	0	1	GEAF	
COc1cc2c(cc1OC)[C@]13CCN4CC5=CCO[C@@H]6CC(=O)N2[C@H]1[C@H]6[C@@H]5C[C@H]43	100297163	RRKTZKIUPZVBMF-PZBQXHBBSA-N	394.471	2.110	0	1	GEAF	
NC(=O)c1cc(C(=O)COc2ccc(/C=C3\SC(=O)NC3=O)cc2)ccc1O	103202418	SDVOVHJJCGDIDV-APSNUPSMSA-N	398.396	2.077	0	1	GEAF	
CC[C@@H]1C2=C3N(CCCC2)[C@H]([C@@H]2C[C@H](C)C(=O)O2)C[C@]32OC(=O)[C@@H](C)[C@H]2[C@@H]1O	103584784	AQNPGXKKPJKNFG-INLMDTRGSA-N	389.492	2.399	0	1	GEAF	biogenic,in-vitro
C[C@H](NC(=O)OCc1ccccc1)[P@](=O)(O)C[C@H](CCC(=O)O)C(=O)O	253638736	PBRHWMMNEISHGS-YPMHNXCESA-N	387.325	2.095	0	1	GEAF	
COc1ccn2c(c1)nc1c2c(=O)n(CC2CC2)c(=O)n1Cc1ccccc1	1772604133	HUGDDUOPPOOBJX-UHFFFAOYSA-N	376.416	2.278	0	1	GEAF	
COCCN(CCc1ccc(Cl)cc1)C1CCN(c2nc(=N)[nH][nH]2)CC1	1857581120	VHCGNVXMBLVYOK-UHFFFAOYSA-N	378.908	2.031	0	1	GEAF	
CC(=O)OC[C@]1(O)CC[C@@]23C[C@H]1C=C2C=C[C@@H]1[C@](C)(CO)[C@H](O)CC[C@]13C	2356695245	YSZOPKFZKQTCBL-CHRBLHIJSA-N	376.493	2.353	0	1	GEAF	
COc1ccc2c(c1)[C@@]13C[C@H]4[C@H]([C@H]5C[C@@H](C1=N2)N4[C@H](C)[C@H]5CO)[C@H]3OC(C)=O	2356852644	QRTSGQHCBPBPBT-CPBCSHOVSA-N	382.460	2.054	0	1	GEAF	
O=C(NC1CCCC1)[C@H]1CSCCS(=O)(=O)N1Cc1ccc(F)cc1	96020315	DQNIZLJAUMHLDU-MRXNPFEDSA-N	386.514	2.132	0	3	GEAF	
CCCCn1nnnc1[C@@]1(C)CCC(=O)N1c1ccc(N2CCOCC2)cc1	199214452	QASLLLIXIYNZQY-HXUWFJFHSA-N	384.484	2.352	0	3	GEAF	
COc1ccc([C@H]2[C@@H](C(=O)c3ccccc3)C(=O)C(=O)N2CCCO)cc1OC	2290626	PUDZPVISVAXWTJ-OALUTQOASA-N	397.427	2.038	0	1	GEAF	
C/C=C/C=C/C(=O)N1CCN(c2nc(N)c3cc(OC)c(OC)cc3n2)CC1	25963925	IGAQSPGTMPOCMT-YTXTXJHMSA-N	383.452	2.010	0	1	GEAF	
CCOCCn1c(=O)c2[nH]c(Cc3ccccc3)nc2n(Cc2ccco2)c1=O	45353665	SZCPSIADTLMMKV-UHFFFAOYSA-N	394.431	2.155	0	1	GEAF	
COc1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](NS(N)(=O)=O)CC[C@@H]12	49072782	RJPXXWHVSJRWHX-SSTWWWIQSA-N	380.510	2.419	0	1	GEAF	
CC(C)NC(=O)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2C(=O)C1CCCC1	95794635	OTKFBCIOELUYNZ-RTBURBONSA-N	385.508	2.336	0	1	GEAF	
O=C(N[C@H]1[C@H]2CC3C[C@@H]1C[C@](O)(C3)C2)c1ccc(N2CCOCC2)nc1C1CC1	101549975	WYTGYKXJNWWDCV-HBQUPIGOSA-N	397.519	2.465	0	1	GEAF	
Cc1ccc2nc(Nc3ncccc3C(=O)N3CCN(CCO)CC3)sc2c1	103284525	GLZYZXOLRUBKPB-UHFFFAOYSA-N	397.504	2.493	0	1	GEAF	
O=C(O[C@@]12[C@H]3[C@H]4[C@@H]5C[C@@H]6[C@H]4[C@@H]3[C@@]3(OCCCN13)[C@H]6[C@H]52)c1n[nH]c2ccccc12	169293145	NKBYXRWOKPTCIZ-PHRKZKBTSA-N	375.428	2.236	0	1	GEAF	
COc1ccccc1NC(=O)[C@@H]1[C@@H]2C=C[C@]3(CN(Cc4cccnc4)C(=O)[C@@H]13)O2	195400465	OFLPRFFLCKYSPO-JZJXAQOMSA-N	391.427	2.011	0	1	GEAF	
COc1n[nH]c2cc(NC(=O)N[C@@H]3CCCN(Cc4cccc(C)n4)C3)ncc12	209345516	WMHJGGGZTQSJQH-OAHLLOKOSA-N	395.467	2.456	0	1	GEAF	
Cc1cc(S(N)(=O)=O)ccc1OCc1nc2c(Br)ccnc2[nH]1	586929935	JOFPLJFJDAYKTP-UHFFFAOYSA-N	397.254	2.255	0	1	GEAF	
C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2c(Cl)c(Cl)cnc2[nH]1	586938582	KOFQFUFWMNPKGL-LURJTMIESA-N	375.241	2.038	0	1	GEAF	
Cc1cc(N)c2c(c1)C(=O)CC1(CCN(c3ncnc4c3cnn4C)CC1)O2	587396281	RKCYZDBXEPUZPD-UHFFFAOYSA-N	378.436	2.258	0	1	GEAF	
Cc1cn2cc(N(C)C(=O)c3ccc(N4CCN(C)CC4)cc3)nc2c(C)n1	1772582296	ALKLMIAVNJBQGW-UHFFFAOYSA-N	378.480	2.375	0	1	GEAF	
COc1c(O)cc(-c2oc3c(OC)c(O)cc(O)c3c(=O)c2OC)cc1O	15271701	MTRLRZGBNHFCIW-UHFFFAOYSA-N	376.317	2.308	0	1	GEAF	biogenic
CC(C)COC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCC(=O)O	29571822	XCQGMOCHWXBTKE-INIZCTEOSA-N	375.425	2.052	0	1	GEAF	
CCO[C@@H](C1=C[C@H]2C(C)=NN(c3ccccc3)[C@@H]2N=C1)[C@H](OC)[C@@H](O)COC	40879521	GQSWTDIVZVIBID-FCMAGTKHSA-N	387.480	2.263	0	1	GEAF	
COc1cc([C@H](NC(=O)N[C@@H](CC(C)C)C(=O)OC(C)C)C(=O)O)ccc1O	45355013	YQJSQMAWGJFPNF-BBRMVZONSA-N	396.440	2.192	0	1	GEAF	
CCCC[C@H](CN(O)C=O)C(=O)N1CC=C[C@H]1C(=O)Nc1ccc(OC)cc1	49112767	WSTKLTYTPGJRKC-QAPCUYQASA-N	389.452	2.055	0	1	GEAF	
COc1cc2nc(NCCCn3ccnc3)nc(NC[C@@H](C)O)c2cc1OC	82129353	PQWOIAFHVDEEBA-CYBMUJFWSA-N	386.456	2.138	0	1	GEAF	
COc1cc(C[C@H]2C(=O)OC[C@@H]2[C@H](O)c2ccc(OC)c(OC)c2)ccc1O	86048124	YDYHLKYAFOTIKL-QEEYODRMSA-N	388.416	2.483	0	1	GEAF	
CS(=O)(=O)c1c(F)c(N)c2c(=O)cc(-c3ccc(N)c(F)c3)oc2c1F	101233860	MWBCPOIKJMLTDF-UHFFFAOYSA-N	384.335	2.445	0	1	GEAF	
Cn1nc(-c2cnc3[nH]cc(C(=O)N[C@]4(C)C[C@H](N)C4)c3n2)c2ccc(F)cc21	101671215	BUMHWUDGGPIPAG-YLCJPNJKSA-N	393.426	2.260	0	1	GEAF	
CN1CCCN(C(=O)c2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)CC1	169175754	AFVFKFRWYYPJPK-UHFFFAOYSA-N	380.492	2.017	0	1	GEAF	
COC(=O)[C@@]1(C)N[C@@H](c2cccs2)[C@@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]21	169299124	SFPGMLMXUYNMNH-CUYVQJCZSA-N	388.420	2.269	0	1	GEAF	
Cc1ccc(C(=O)COC(=O)CCN2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@H]5C[C@@H]54)[C@H]3C2=O)cc1	169693332	QRDAQKFOOJDULX-CIJYDTQTSA-N	393.439	2.164	0	1	GEAF	
CC(=O)c1ccc2nc(CNS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c2c1	586941899	PDTLHCNLPVHSRL-UHFFFAOYSA-N	387.417	2.015	0	1	GEAF	
NC(=O)c1ccc2nc(-c3cc(S(=O)(=O)N4CCC4)ccc3Cl)[nH]c2c1	586955713	TYQKBUHMOPQABL-UHFFFAOYSA-N	390.852	2.377	0	1	GEAF	
NS(=O)(=O)c1cccc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c12	587120304	XDWQWIYQKILQRW-UHFFFAOYSA-N	399.398	2.353	0	1	GEAF	
Cn1ncc(NC(=O)c2cccc(-c3ccnc(NCC4CC4)c3)n2)c1C(N)=O	1857547289	PSTKTFNIVMQLRT-UHFFFAOYSA-N	391.435	2.050	0	1	GEAF	
COc1ccc2c(c1)C(=O)N1CCC[C@H]1c1nc3c(O)cc(OC)cc3c(=O)n1-2	13397534	SKCHUVDMAXVDEA-INIZCTEOSA-N	393.399	2.399	0	1	GEAF	biogenic
CNC(=N)N[C@H](C)CCCC(=O)CC(=O)CCc1ccc(O)c2c1CCCO2	85627185	GYPJZJOTACPYQA-CQSZACIVSA-N	389.496	2.481	0	1	GEAF	biogenic,in-vitro
O=C(C1CC1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4ccccc4F)cc3)[C@H]2C1	95797495	QETWDIOFYADYNM-SJBKTWHCSA-N	394.446	2.400	0	1	GEAF	
C/C=C(/C)C(=O)O[C@@H](C1=C(C)[C@@H](O)OC1=O)[C@@]1(C)[C@H](C)[C@H]2CC[C@H]1[C@@H](OC)O2	100784075	YEMKZDPASIYASW-JPQIQSGYSA-N	394.464	2.480	0	1	GEAF	endogenous,in-man
COC1CCC2(CC1)Cc1ccc(C3=C[C@@H](O)CC3)cc1[C@]21N=C(N)N(C)C1=O	140835162	RTVDLYZFLHMNIS-JUDZIISOSA-N	395.503	2.338	0	1	GEAF	
O=c1n(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c(O)c2n1CCCC2	169714867	YEJGEBAXGTVVHO-UHFFFAOYSA-N	396.413	2.490	0	1	GEAF	
COCCNC(=O)c1sc2ncnc(Nc3cc(C)cn(C)c3=O)c2c1C	299868074	ZIGVXGJXOFYHOU-UHFFFAOYSA-N	387.465	2.127	0	1	GEAF	
CC(=O)OC[C@@]12CC[C@H]3[C@@](C)(CO)[C@H](O)C(=O)C[C@]3(C)[C@H]1CCc1cocc12	1857595558	HBPUBFLTLMMQEH-WHVWYTALSA-N	390.476	2.392	0	1	GEAF	
Cc1c(C(=O)N2CCN(C)c3ccccc32)cnn1-c1nc(O)c2c(n1)CCC2	1857620028	YOGZKRSFMIQLQJ-UHFFFAOYSA-N	390.447	2.262	0	1	GEAF	
COc1cc(C[C@@H]2SC(=O)NC2=O)ccc1OS(=O)(=O)c1ccccc1	1911577516	UCNIGBOXDSEOIH-HNNXBMFYSA-N	393.442	2.357	0	1	GEAF	
Cc1ccc2c(c1)N(C(=O)CCC(=O)N1CCC3(CC1)OCCO3)C[C@@H](C)O2	6797873	NXUWZSSLUUWFDO-MRXNPFEDSA-N	388.464	2.255	0	3	GEAF	
CC(C)(C)n1nnnc1[C@H](c1ccccc1)N1CCN(c2ncccn2)CC1	199216457	NMKQCHQBNPOPTA-KRWDZBQOSA-N	378.484	2.130	0	3	GEAF	
Cc1cc(NC(=O)Cn2c(=O)n(-c3ccc(F)cc3)c(=O)c3sccc32)[nH]n1	4597543	IOXFEDWBRXHDLL-UHFFFAOYSA-N	399.407	2.023	0	1	GEAF	
CC(C)CCNC(=O)Cc1ccc(NC2=N[C@@H]3CS(=O)(=O)C[C@H]3S2)cc1	6739141	ZXTBSVZVHUKMEJ-HZPDHXFCSA-N	395.550	2.072	0	1	GEAF	
O=C1Nc2cc(Cl)ccc2C(=O)N2CCN(C(=O)c3cccs3)C[C@H]12	12604959	CFEOBSABYNQVFZ-CYBMUJFWSA-N	375.837	2.320	0	1	GEAF	biogenic
COCCNC(=O)[C@H](C)[C@@H]1CCc2c(C)cc(OCCOC)c(C)c2[C@@H]1O	33773730	OIHCBIQZWLMFOZ-CFLQYTFWSA-N	379.497	2.323	0	1	GEAF	biogenic
CC[C@H](C)NC(=O)c1cnc(N2CCN(C(C)=O)CC2)nc1-c1ccc(F)cc1	82140885	KJGYAJHOROTYHN-AWEZNQCLSA-N	399.470	2.480	0	1	GEAF	
CC(C)[C@](C)(O)[C@@H]1CN(c2ccc(F)c(-c3n[nH]c4ncccc34)n2)CCN1	95581600	PDSONWYECZHBAE-YWZLYKJASA-N	384.459	2.344	0	1	GEAF	
CC(C)(C)OC(=O)NC[C@]12C=C[C@@H](O1)[C@@H]1C(=O)N(Cc3ccccc3)C(=O)[C@@H]12	169294972	JAHLICDNLQVRJG-KQDGPHEJSA-N	384.432	2.020	0	1	GEAF	
C[C@H]1CCC[C@@H](C)[C@@H]1OC(=O)[C@H](NC(=O)[C@@H](N)CC(=O)O)c1ccccc1	253632523	GKBCQEIQIMXSPJ-ORAAPJFESA-N	376.453	2.014	0	1	GEAF	
COC(=O)[C@@H](Cn1ccnc1)NC(=O)c1c(C)nn(-c2ccccc2)c1Cl	473084023	PYZSBQQHZCMXFK-CQSZACIVSA-N	387.827	2.002	0	1	GEAF	
Cc1c2c(nn1C)[C@@](c1ccc(C3OCCO3)s1)(C(C)C)N[C@H](C(=O)O)C2	962706081	GZUVVTLMMIBWSV-DJJJIMSYSA-N	391.493	2.334	0	1	GEAF	
C[C@@]1(CS(C)(=O)=O)N[C@@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21	963175984	HGFNTQRVIJDJLN-YPMHNXCESA-N	385.791	2.218	0	1	GEAF	
COCC(=O)N[C@@H]1[C@H](c2ccccc2)N(Cc2ccncc2F)CC[C@@]1(C)O	2356549367	ZQAFXBOBRXAYSZ-PWRODBHTSA-N	387.455	2.050	0	1	GEAF	
CCOC(=O)c1c(C)c(C(=O)N2CCN(C(=O)c3ccco3)CC2)c(C)n1C	3958473	ORSFTSIVVHWHMF-UHFFFAOYSA-N	387.436	2.010	0	3	GEAF	
COCCNC(=O)C[C@@H]1c2nc(C)sc2C[C@H]2[C@@]1(C)CC[C@@H](O)[C@@]2(C)CO	4222529	SQDYCVXVAPSBJA-OPLZCHAUSA-N	396.553	2.020	0	1	GEAF	biogenic
CC(C)=C[C@H](O)[C@@H]([C@H](O)CCC1(C)OCCO1)S(=O)(=O)c1ccccc1	5854734	RDJDOTSCUNITOZ-FGTMMUONSA-N	384.494	2.060	0	1	GEAF	
S=C(NCCN1CCOCC1)N1CCC(c2cccc(Br)c2)=N1	13474241	QVAOEMADHHLRIV-UHFFFAOYSA-N	397.342	2.066	0	1	GEAF	
C[C@H](c1ccccc1)N1C(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)CCN2C1=O	25430433	ICDSRCNREDJUNL-CRAIPNDOSA-N	399.472	2.085	0	1	GEAF	biogenic
O=C(O)C/C=C/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)COc1ccccc1	28476150	WKVAGWPPNDAGQC-DJGCKMRXSA-N	388.460	2.318	0	1	GEAF	
N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1)Cc1cccc(Cl)c1	28820801	IVHPZSYBTWSSMG-GFCCVEGCSA-N	387.793	2.253	0	1	GEAF	
O=C(NC[C@H]1CN(c2ccc(-c3nnc4ncccn34)cc2)C(=O)O1)C1CCC1	71410481	VCRNGPCTAFLQRN-INIZCTEOSA-N	392.419	2.033	0	1	GEAF	
CCCNC(=O)N[C@@H]1CC[C@@H](CCn2cc(C3CCCCC3)nn2)O[C@H]1CO	95903197	DEXIUYVPHBRLOT-SCTDSRPQSA-N	393.532	2.334	0	1	GEAF	
COC(=O)[C@H](C)[C@H]1CC[C@@](C)(O)[C@H](O)CC/C(C)=C/CC[C@@](C)(O)[C@H](O)C1	238782840	MSLVWANTCSFXCQ-QAPANVIPSA-N	386.529	2.326	0	1	GEAF	
O=C(NCc1ccc(F)cc1)[C@@H]1[C@H]2C=C[C@@]3(CN(Cc4ccccc4)C(=O)[C@H]13)O2	250644864	JHYKCQQQKZVQMB-UGTOYMOASA-N	392.430	2.424	0	1	GEAF	
COC(=O)[C@]12C[C@H]3C[C@H]4[C@H](C)OCN(CCc5c1n(c1ccccc51)[C@H]3O)[C@@H]42	299805967	KPVGQFUAGCUQTN-SZFOXYEGSA-N	382.460	2.186	0	1	GEAF	
N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cccc(S(N)(=O)=O)c2[nH]1	587112831	NYFRMYBBVXCCBI-NSHDSACASA-N	384.383	2.472	0	1	GEAF	
CC(C)[C@@H]1c2cc(O)ccc2C[C@@H](C(=O)O)N1C(=O)[C@@H](N)Cc1ccccc1	963666115	JNFQJWRMHBBBPP-SLFFLAALSA-N	382.460	2.497	0	1	GEAF	
CNC(=O)c1cccc(Nc2ncnc(N3CC(Oc4cccc(F)c4)C3)n2)c1	1772570084	NXWBEBBZTANKKE-UHFFFAOYSA-N	394.410	2.382	0	1	GEAF	
CN1C(=O)[C@@H](NC(=O)c2cn(Cc3ccccc3)cn2)COc2ccccc21	1772573829	NMALKWDSCYKLFE-KRWDZBQOSA-N	376.416	2.085	0	1	GEAF	
CCC(C)=CC(=O)O[C@@H]1CC(C(=O)OC)=C[C@@H](O)[C@H]1OC(=O)C=C(C)CC	2356374892	JBACGGCHMOGCEM-GPMSIDNRSA-N	380.437	2.387	0	1	GEAF	
CC(C)c1nccc(C[C@@H]2[C@H](NC3Cc4ccccc4C3)C[C@@H](O)[C@H]2CO)n1	2356380027	OQLGOQFQJVLDCD-FNAHDJPLSA-N	381.520	2.257	0	1	GEAF	
CC(=O)O[C@@H]1C[C@]2(C)[C@@H]3CCc4cocc4[C@]3(CO)CC[C@@H]2[C@@](C)(CO)[C@H]1O	2356794853	IDJRJSOIZLZZJY-UNTSUZMJSA-N	392.492	2.183	0	1	GEAF	
C1=CC(c2noc([C@H]3CCCN3Cc3ccccn3)n2)=C[C](N2CCOCC2)N1	2356822769	FFWYRYSZIUAYCL-GOSISDBHSA-N	393.471	2.124	0	1	GEAF	
Cn1c(C(=O)O)c(CC(=O)NC[C@H]2COc3ccccc3O2)c2ccccc21	2456256	LBXWIPVVVJFNIP-ZDUSSCGKSA-N	380.400	2.375	0	3	GEAF	
Nc1cc(OCC2CCCCC2)nc(Nc2ccc(S(N)(=O)=O)cc2)n1	12354961	ALNJIRVGTQKZMG-UHFFFAOYSA-N	377.470	2.409	0	1	GEAF	
COc1cc2c(cc1O)[C@H](c1cc(OC)c(O)c(OC)c1)[C@@H](CO)[C@H](CO)C2	15270978	JUJIQKRWLCSYQD-KPHUOKFYSA-N	390.432	2.029	0	1	GEAF	biogenic
CCCCN1CC2(CCN(C[C@@H](O)[C@H]3COc4ccccc4O3)CC2)OC1=O	28762294	IWAQDHIFFZYRIZ-VQIMIIECSA-N	390.480	2.274	0	1	GEAF	
CC[C@@H](CC(=O)NCCN1CCOCC1)n1c(N)nc2cc(Cl)ccc21	58649919	MVZZFHRIHUFSMI-AWEZNQCLSA-N	379.892	2.062	0	1	GEAF	
Cc1cc(O)c(=O)c(O)c2c1C[C@@H]([C@](C)(O)C[S@](=O)c1ccccc1)CC2	72108049	JRNBDAVSAUMCRT-LXCWDIJASA-N	388.485	2.430	0	1	GEAF	
Cc1ccc(-c2cnc3[nH]ccc3n2)c(N[C@@H]2CCCN(S(C)(=O)=O)C2)n1	168603142	UXPYEJLTPMRCCL-CYBMUJFWSA-N	386.481	2.164	0	1	GEAF	
COCCNC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)cnc3C)nc12	169704258	DGAFCFQIMXJUDW-QGZVFWFLSA-N	398.442	2.290	0	1	GEAF	
Nc1ncc(-c2ccc(-c3cccnc3S(=O)(=O)[C@H]3CCNC3)cc2F)cn1	224765999	LUWGIRSEDCROGK-AWEZNQCLSA-N	399.451	2.063	0	1	GEAF	
CN(C)CCn1c(=O)sc2cc(NS(=O)(=O)c3ccccc3)ccc21	299868825	SKPIFCDEJRHYGJ-UHFFFAOYSA-N	377.491	2.425	0	1	GEAF	
CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2c(Cl)ncnc2[nH]1	586965176	SVOLMKHBTYLWDA-UHFFFAOYSA-N	389.876	2.463	0	1	GEAF	
C[C@@]1(CN2C(=O)COCC2=O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	587340370	HKIILSXXGRUXQG-FPOVZHCZSA-N	399.374	2.034	0	1	GEAF	
COc1cc2c3c(c1)O[C@@](c1ccccc1)([C@@H](O)SCC(=O)O)[C@@H](C2)C3=O	587448919	NDHXCABFWMKEPJ-PNHOKKKMSA-N	386.425	2.474	0	1	GEAF	
COc1cc([C@@H]2N[C@@H](C(=O)O)Cc3cc(OC(F)(F)F)ccc32)oc(=O)c1	962635597	NTOLBFKQMSWPLN-IUODEOHRSA-N	385.294	2.235	0	1	GEAF	
CCN1[C@@H]2COC[C@H]1C[C@@H](NC(=O)c1cn(-c3cnn(C)c3)c3ccccc13)C2	1772645731	GHDXJBSYXLPSDD-OSYLJGHBSA-N	393.491	2.346	0	1	GEAF	
CC=C1CN2[C@H]3C[C@@]45c6cc(OC)cc(OC)c6N[C@@]4(O3)[C@H]2C[C@H]1[C@@H]5C(=O)O	2356637771	DQVHXLYSIWOSII-VVFDFFBKSA-N	384.432	2.175	0	1	GEAF	
COc1ccc2c3c([nH]c2c1)[C@H](C=C(C)C)N1C(=O)[C@H]2CCCN2C(=O)[C@@]1(O)C3	2356717057	GAQLGONAVPUXSP-FGSXEWAUSA-N	395.459	2.262	0	1	GEAF	
COC(=O)CN(C)C(=O)c1ccc(OC)c(OC2CCN(C(C)C)CC2)c1	12459610	UUJQGSGQKAKBGY-UHFFFAOYSA-N	378.469	2.192	0	3	GEAF	
CCOc1ccccc1C(=O)c1cnc(NC2CCN(C(C)=O)CC2)nc1N	14950260	OBDPIVSOXGXWQB-UHFFFAOYSA-N	383.452	2.111	0	1	GEAF	
Cc1c(N2CC[C@H](N)C2)c(F)cn2c(=O)c(/C(O)=C/[N+](=O)[O-])cc(C3CC3)c12	26837154	WHBIDTDGFAXOHI-PFSWGADMSA-N	388.399	2.295	0	1	GEAF	
CCCc1cc(N2CCC(C(=O)OC)CC2)nc2sc(C(N)=O)c(N)c12	45254554	JQCZXEBWLPHDIM-UHFFFAOYSA-N	376.482	2.319	0	1	GEAF	
CC(=O)N(C)C[C@@H]1Oc2ccc(NC(=O)NC(C)C)cc2C(=O)N(C)C[C@@H]1C	95661996	PEIHOODXEGGKNI-UGSOOPFHSA-N	390.484	2.164	0	1	GEAF	
CCC(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4ccccc4F)cc3)[C@@H]2C1	95866770	HSZXWGUUBZPEQX-JQVVWYNYSA-N	382.435	2.400	0	1	GEAF	
CN[C@@H](C)C(=O)N[C@H]1COc2ccccc2N(Cc2ccc(Cl)cc2)C1=O	144234672	NZGXRNHLIKDWHR-BBRMVZONSA-N	387.867	2.358	0	1	GEAF	
Cn1cc(-c2cc(S(C)(=O)=O)ccc2O[C@@H]2CCOC2)c2cc[nH]c2c1=O	146481586	HOIDUDVLUDMEOH-GFCCVEGCSA-N	388.445	2.105	0	1	GEAF	
COc1cc2c3c(c1)O[C@@](c1ccc(OCCO)cc1)(C(C)(C)O)[C@@H](C2)C3=O	587443711	XFDUFUZVXIWBFL-HTAPYJJXSA-N	384.428	2.480	0	1	GEAF	
CCCc1c(O)ccc2c1O[C@@]1(CC=Cn3c1ncc(C(=O)O)c3=O)CC2=O	587487913	YTMOJWOJDHMEQL-FQEVSTJZSA-N	382.372	2.335	0	1	GEAF	
COCc1cc(C[C@@H]2CC[C@H](O)[C@H](CNC(=O)Nc3ccccc3)O2)no1	2356287167	DDTOIUXWFJLRJF-SZMVWBNQSA-N	375.425	2.094	0	1	GEAF	
COCCN1C(=O)[C@H]2C[C@@H](CN2Cc2ccc(C(=O)O)cc2)Oc2ccccc21	2356299056	UNVADQQRVNCPHM-PKOBYXMFSA-N	396.443	2.400	0	1	GEAF	
COc1cccc(-n2cc(CN(C)C(=O)[C@H]3CCC(=O)N(C4CC4)C3)cn2)c1	12577757	XXMSUCVHQSWRJC-INIZCTEOSA-N	382.464	2.240	0	3	GEAF	
COc1ccc(/C=c2\s/c(=C\C(=O)c3ccc(C)cc3)[nH]c2=O)cc1OC	3642954	VFAHSGFGAFUYPA-YZLQMOBTSA-N	381.453	2.254	0	1	GEAF	
CCOc1ccccc1C1=NO[C@H](c2ccccc2OC)[C@@H]1C(=O)NCCO	4152613	RITMDUZHGVEGCL-UYAOXDASSA-N	384.432	2.294	0	1	GEAF	
Cn1c(=O)n(C)c2cc(NS(=O)(=O)C3=CC=C(Br)C3)ccc21	6784572	PUAIVCASISTYNT-UHFFFAOYSA-N	384.255	2.185	0	1	GEAF	
C[C@H](OC(=O)[C@@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1C=C[C@H]2[C@@H]2C[C@H]12)C(=O)c1ccccc1	13153897	PJEWTIDBYNHYEL-OBWIZRHUSA-N	393.439	2.243	0	1	GEAF	
CC(C)Cn1c(=O)[nH]c(=O)c2[nH]c(Cc3ccc(Br)cc3)nc21	13587134	IJOYPVKOWDJYCE-UHFFFAOYSA-N	377.242	2.422	0	1	GEAF	
CC1(C)C[C@@H]1C(=O)N/C(=C\CCCCCNC(C)(C)P(=O)(O)O)C(=O)O	26024279	QXBNNRXWIGCNPK-FNWMBBJUSA-N	390.417	2.181	0	1	GEAF	
CN(C)CCNC(=O)c1cccc2cc3c(nc12)-c1ccccc1S3(=O)=O	26173178	FICWOBCRSWQRKJ-UHFFFAOYSA-N	381.457	2.339	0	1	GEAF	
Nc1ncnc2nc(-c3ccc(N4CCOCC4)nc3)cc(C3CCOCC3)c12	27986037	XSGLZJBVXCOQRF-UHFFFAOYSA-N	392.463	2.400	0	1	GEAF	
O=C([C@H]1CCCN1C(=O)c1csc(-c2ccccc2)n1)N1CCCNCC1	82072985	CUFSJVKPVWJZKD-QGZVFWFLSA-N	384.505	2.237	0	1	GEAF	
COC(=O)[C@H]1C[C@@H](O)C[C@H]2[C@H]1C(=O)C[C@H]1C(=O)O[C@H](c3ccoc3)C[C@@]21C	85695072	LPHWMSVPEOJPHG-ANEZYJLLSA-N	376.405	2.039	0	1	GEAF	in-man
COC(=O)C[C@H]1C=C[C@@H](NC(=O)Nc2ccc(C(F)(F)F)cc2)[C@@H](CO)O1	95677648	PYGNPVIZRZQEAZ-MGPQQGTHSA-N	388.342	2.075	0	1	GEAF	
O=C(NC[C@H]1[C@H](c2ccccc2)[C@H](CO)N1C(=O)C1CCC1)NC1CCCC1	95894894	PSPYKSKJQZXCHI-UFYCRDLUSA-N	385.508	2.384	0	1	GEAF	
O=C(NCC[C@@H]1CC[C@H](NC(=O)C2CCCC2)[C@H](CO)O1)c1ccc(F)cc1	95903425	PCXDMLTYWGHPKQ-FHWLQOOXSA-N	392.471	2.161	0	1	GEAF	
CS(=O)(=O)Nc1ccc(-c2ccc(/C=C3/NC(=S)NC3=O)s2)cc1	103224352	SLYQFCKASSQNQF-XYOKQWHBSA-N	379.488	2.132	0	1	GEAF	
CS(=O)(=O)NC1CCN(c2cc(-c3ccc(F)cn3)c(Cl)cn2)CC1	142519339	ZHCLGZXQNVAAAO-UHFFFAOYSA-N	384.864	2.454	0	1	GEAF	
Cc1c(C(=O)NCCN2CCN(C)CC2)sc2c1[nH]c(=O)c1ccccc12	169352960	YJWMLUVDPMSGOQ-UHFFFAOYSA-N	384.505	2.028	0	1	GEAF	
CCn1ncc([C@@]2(CN3CCOCC3)CC(=O)c3cc(C)cc(N)c3O2)c1C	587391279	MEKBRRVKIKNTBB-NRFANRHFSA-N	384.480	2.295	0	1	GEAF	
CC(=O)OCC1(COC(C)=O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	587591236	BODFKGQMOCFLAK-QGZVFWFLSA-N	386.356	2.219	0	1	GEAF	
C[C@H]1Cc2ccc(F)c(Br)c2C2(C=C(C(=O)O)OC(C(=O)O)=C2)N1	587832771	KWIBKPJOSGZCLE-ZETCQYMHSA-N	398.184	2.285	0	1	GEAF	
O=CNC[C@H]1CN(c2ccc(-n3cc(-c4ccccn4)cn3)c(F)c2)C(=O)O1	653804999	MTJGQYUFSIJYBA-HNNXBMFYSA-N	381.367	2.145	0	1	GEAF	
COc1cccc2c3c(cnc12)CCN[C@H]3c1ccc(F)c(S(N)(=O)=O)c1	963046836	LFORLGZPDXHJTK-SFHVURJKSA-N	387.436	2.265	0	1	GEAF	
CC[C@@H](C)NC(=O)c1cc([C@@]2(C)N[C@H](C(=O)O)Cc3ccc(O)c(C)c32)c[nH]1	963524242	KNCSWXLBSVEOAV-BSPLBBPOSA-N	385.464	2.419	0	1	GEAF	
C[C@H]1CN(c2nc(N3CCOCC3)c3sc([C@@H](C)O)cc3n2)C[C@@H](C)O1	1772593830	KPYIICUHFXSFAD-FRRDWIJNSA-N	378.498	2.195	0	1	GEAF	
CC(=O)N1CCC(OCc2cncc(-c3cnc4c(c3)CCN4C(N)=O)c2)CC1	1772636353	DMUXBRWDMJGHKQ-UHFFFAOYSA-N	395.463	2.112	0	1	GEAF	
Cc1c(Nc2ncc3c(n2)n([C@H]2CC[C@H](O)CC2)c(=O)n3C)ccc2nccn12	1857585027	AUEPFFWQHMGXEB-HDJSIYSDSA-N	393.451	2.306	0	1	GEAF	
Nc1ncnc2c1c(-c1ccc3c(c1)OCO3)cn2C1CCN(C2COC2)CC1	1857621124	QKAJXYNDSYTMGR-UHFFFAOYSA-N	393.447	2.445	0	1	GEAF	
CC(=O)O[C@]1(C)C(=O)O[C@@H]2[C@@H]3C(C)=CC[C@@H]3[C@](C)(O)C[C@@H](OC(=O)C(C)C)[C@H]21	2356442454	CPFDFMRUEQZXHU-AHGPHEPYSA-N	394.464	2.155	0	1	GEAF	
Cc1cc(O)cc2oc3c(c(=O)c12)[C@](C)(Cc1cc(O)cc(=O)o1)C[C@H](O)C3	2356729085	FYYKXVHQNPFCQK-ASSNKEHSSA-N	384.384	2.273	0	1	GEAF	
Cc1ccccc1C1=NO[C@H]2CN(S(=O)(=O)c3c(C)nn(C)c3Cl)C[C@@H]12	205230605	WCSSHBZAYPZSRR-KGLIPLIRSA-N	394.884	2.114	0	3	GEAF	
COC(=O)c1ccccc1OCC(=O)NCc1cc(OC)c(OC)c(OC)c1	7096961	MWIAATABHCGWSD-UHFFFAOYSA-N	389.404	2.194	0	1	GEAF	biogenic
O=C(NCc1ccccc1)O[C@H]1CO[C@@H]2[C@H](OC(=O)c3cccc(O)c3)CO[C@H]12	45283595	LDDIYJNLPBJCKS-FCGDIQPGSA-N	399.399	2.010	0	1	GEAF	
Nc1nc(-c2ccccc2)c2c(n1)-c1cc(CNN3CCOCC3)ccc1C2=O	49793266	IRZRRGHYHQDDFL-UHFFFAOYSA-N	387.443	2.274	0	1	GEAF	
COc1cc(OC)cc(-c2nc(C(=O)N[C@@H]3CCCCNC3=O)cs2)c1	82086262	KXIMEBDHGOGGCT-CQSZACIVSA-N	375.450	2.226	0	1	GEAF	
CC(=O)Nc1cccc2c1O[C@H](CN(C)C(=O)NC(C)C)[C@H](C)CN(C)C2=O	95663569	ZBHAVGXLHJUKDQ-CXAGYDPISA-N	390.484	2.164	0	1	GEAF	
COCCOc1ccc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(N)=O)c2n1	115096989	OPRRDZXAVINFQM-MRXNPFEDSA-N	399.426	2.334	0	1	GEAF	
COc1cc(OC)nc(N2C(=O)CS[C@H]2c2c(OC)cccc2OC)n1	169351048	ORIUXVBZWDMSIA-INIZCTEOSA-N	377.422	2.290	0	1	GEAF	
CC(C)[C@H](C(=O)OCC(=O)c1ccccc1)N1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O	169363188	SUAQGZZDRBYGMI-XWCCPHMRSA-N	381.428	2.244	0	1	GEAF	
COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2ccc(S(N)(=O)=O)cc2[nH]1	586916451	MMRHSJODGQJYDZ-KUHUBIRLSA-N	385.445	2.427	0	1	GEAF	
O=C(c1ccc2nc(-c3cnc(Cl)s3)[nH]c2c1)N1CCN(CCO)CC1	587023922	XAOHVUJJLIXTPI-UHFFFAOYSA-N	391.884	2.090	0	1	GEAF	
COc1ccc(-c2cc(C(=O)N[C@H](Cc3cnc[nH]3)C(=O)O)co2)cc1OC	621431138	PTJNGLSTISJBBI-CQSZACIVSA-N	385.376	2.113	0	1	GEAF	
CCOC(=O)c1ccc2c(c1)N(Cc1cn(Cc3ccccc3)nn1)C(=O)CO2	1772601068	GQWCPYDUQFZRFI-UHFFFAOYSA-N	392.415	2.429	0	1	GEAF	
Cc1c(C(=O)NC[C@H]2CCCO2)oc2ccc(S(=O)(=O)N3CCCC3)cc12	2459988	DWPVQALXASBPSW-CQSZACIVSA-N	392.477	2.435	0	3	GEAF	
C[C@H]1C(=O)N(c2cccc(Cl)c2)CCN1CCCn1nc2ccccn2c1=O	27091081	UBRZXJVSJKXZNI-HNNXBMFYSA-N	399.882	2.277	0	1	GEAF	
Cc1nnc(CNC(=O)CN)n1-c1ccc(Cl)cc1C(=O)c1ccccc1	28766137	UJSWZYUMXWMPKT-UHFFFAOYSA-N	383.839	2.035	0	1	GEAF	
O=C(C[C@@H]1C/C=C\CCC(=O)OCCNC1=O)NCc1ccc(Cl)cc1	169328999	PIGMXBSUAPIWMM-OYADATRGSA-N	378.856	2.362	0	1	GEAF	
CC(C)n1c(=O)c(C(=O)N[C@H]2C[C@@H]3CC[C@H](C2)N3CCO)cc2ccccc21	169729082	MIEQAWKQDMBOLO-NNZMDNLPSA-N	383.492	2.300	0	1	GEAF	
Cc1ccc(-n2nccn2)c(C(=O)N2[C@H]3CC[C@H]2[C@H](Nc2ccc(F)cn2)C3)n1	226084414	BUAUJEIAVYPDGR-XHSDSOJGSA-N	393.426	2.362	0	1	GEAF	
O=C(CNCC(=O)N1CCOCC1)c1c(-c2ccccc2)[nH]c2ccccc12	473153897	CTJPRWOQQKDQRC-UHFFFAOYSA-N	377.444	2.466	0	1	GEAF	
C[C@H]1Oc2ccccc2C=C1[C@@H]1c2[nH]cnc2C[C@H]2C(=O)N3CCC[C@H]3C(=O)N21	963224649	SKSMYNQOEQYHHV-MXDFIXEMSA-N	390.443	2.073	0	1	GEAF	
O=C(NCc1ccccn1)c1coc(CCNCc2nc3ccccc3[nH]2)n1	1857563299	JDDJEPIZDNCRPY-UHFFFAOYSA-N	376.420	2.208	0	1	GEAF	
CC(=O)N1C(=S)NC(C)=C(C(=O)OC(C)C)[C@@H]1c1ccc2c(c1)OCO2	1857592991	YUCPGBQORCPINA-INIZCTEOSA-N	376.434	2.419	0	1	GEAF	
CN(C)CCN(C)C[C@H]1CN2CC[C@H]1C[C@H]2CNC(=O)Nc1ccsc1	2356320967	CSTRZSVUFCZMNE-BQFCYCMXSA-N	379.574	2.073	0	1	GEAF	
COCCC(=O)N[C@@H]1CC[C@]2(C)CC[C@H]([C@H](C)C(=O)NC3CC3)[C@H](O)[C@@H]2[C@@H]1C	2356511644	LRHGNUOEJXAQAC-NQRFRPADSA-N	394.556	2.246	0	1	GEAF	
CC(=O)O[C@@H]1[C@H](O)[C@](C)(O)[C@](C)(C=CC2=CC(=O)OC2)[C@H]2CCC=C(C)[C@@]12C	2356620218	KEQCMXAVBMZXAI-ORLNPVNMSA-N	390.476	2.452	0	1	GEAF	
Cc1cc(=O)n2nc(N3CCC[C@H](C(=O)N[C@@H]4CCCC[C@H]4C)C3)sc2n1	253988992	AZWJXIVYDKJMKF-VHDGCEQUSA-N	389.525	2.371	0	3	GEAF	
CN(CCCO)C(=O)c1ccc(NC(=O)[C@@](C)(O)C(F)(F)F)c(Cl)c1	13808725	FKRPRKAKBURXTN-CQSZACIVSA-N	382.766	2.046	0	1	GEAF	
Cn1nc(C(=O)N2CCN(c3ncccn3)CC2)c2c1-c1ccccc1SC2	20485039	KWJXIBJMHXHYJL-UHFFFAOYSA-N	392.488	2.445	0	1	GEAF	
CCOC(=O)C[C@H](O)[C@@H](CC(C)C)NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C	28012662	FOQFTNGVLMVBTQ-GJYPPUQNSA-N	386.533	2.018	0	1	GEAF	
O=C(O)CCC/C=C\C[C@@H]1[C@H](O)CC[C@H]1NS(=O)(=O)c1ccc(F)cc1	28225216	YJYLLUDMJAMBPX-LGSHURMZSA-N	385.457	2.445	0	1	GEAF	
Cc1cccc(N2CCN(c3nc(-c4ncncc4F)cc(=O)n3C)CC2)c1C	169711973	FDLAIOLJTJUIHP-UHFFFAOYSA-N	394.454	2.320	0	1	GEAF	
O=C1C[C@H](Cc2ccccc2)NC(=O)[C@H]1C(=O)Nc1ccc(C(F)(F)F)nc1	169727286	XUTYPXZWDYOJBC-XJKSGUPXSA-N	391.349	2.355	0	1	GEAF	
C/C=C1/CN2CC[C@@H]1[C@@](COC(C)=O)(C(=O)CO)c1[nH]c3ccccc3c1C2	238758260	IMJLLIQUNOUJSH-LNJICTTPSA-N	382.460	2.312	0	1	GEAF	
COC(=O)[C@H]1c2ccc(OC)nc2CC[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3	587436181	MWDKOWNFJPSVRY-JSVDNDDVSA-N	395.411	2.488	0	1	GEAF	
O=C(O)[C@@H]1Cc2cccc(F)c2[C@H](c2cnn3cc(Br)cnc23)N1	962922093	OUJAHOZPJRTUDU-JSGCOSHPSA-N	391.200	2.319	0	1	GEAF	
CNC(=O)c1c(O)c2c(c3c1O[C@@H]1OCCC[C@@H]1C3)O[C@H]1OCCC[C@H]1C2	1857746263	GSOHGZIAVKHCRE-ZWPOXEQUSA-N	375.421	2.127	0	1	GEAF	
O=C(C1CCN(C2CCN(C[C@H]3CC=CCC3)CC2)CC1)N1CCOCC1	13593968	GXWUSJPGQQWXEK-IBGZPJMESA-N	375.557	2.378	0	3	GEAF	
CC(=O)Nc1cccc(-c2ccnc3c2C[C@](C)(C(=O)NCCN(C)C)O3)c1	61927344	BVDZZWVCAZDXTC-OAQYLSRUSA-N	382.464	2.078	0	3	GEAF	
CC[C@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccc(N(C)C)cc3nc2-1	13220357	MWTOKTASAMZAGI-JOCHJYFZSA-N	391.427	2.146	0	1	GEAF	
COc1c(C(=O)O)cc2c(c1CCn1cnc3c1NC=NC[C@H]3O)CCCC2	13861937	MMCPYGUEHSGHMU-MRXNPFEDSA-N	384.436	2.199	0	1	GEAF	
Cc1nc(CC(=O)N2CCC[C@@H](CNS(=O)(=O)c3cccs3)C2)cs1	15066629	DHJCTGXWJSGTCP-ZDUSSCGKSA-N	399.563	2.273	0	1	GEAF	
CC=C1CN(C)C[C@]2(C(=O)OC)Cc3c(n(OC)c4ccccc34)C(=O)C[C@@H]12	17215287	FFGSUUFWXITFBY-HTAPYJJXSA-N	382.460	2.496	0	1	GEAF	biogenic
CC(C)CCN(C)C(=O)c1cnc2nc(N3CC[C@@H](N)C3)c(F)cc2c1O	26998349	XEHZOMVJFXJHQY-GFCCVEGCSA-N	375.448	2.130	0	1	GEAF	
NC(=O)c1cnc(N2CCC[C@H](N)C2)nc1Nc1cccc(C(F)(F)F)c1	72125176	ASMLDRAEBPYENO-NSHDSACASA-N	380.374	2.265	0	1	GEAF	
O=C(NC[C@@H](O)CN1CCc2ccccc2C1)c1cccc([C@@H]2CCCN2)c1	217051386	PKWYZZNVHKRIOP-YADHBBJMSA-N	379.504	2.260	0	1	GEAF	
CC[C@@H]1OC(=O)[C@H](C)[C@H](O)[C@H](C)C(=O)[C@H](C)C[C@@H](C)C(=O)[C@@H](C)[C@@H](O)[C@H]1C	238780760	BFPPCOBUKUWWOH-CQSXAWRNSA-N	384.513	2.389	0	1	GEAF	
Cn1nc(-c2ccccc2)cc1C(=O)N[C@H](CCC(=O)NC1CCCC1)C(=O)O	473148700	HDFXGRBTUXFJFU-MRXNPFEDSA-N	398.463	2.109	0	1	GEAF	
CCS(=O)(=O)c1ccccc1-c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1	586921552	CESVDQHNTQLGLD-UHFFFAOYSA-N	393.490	2.274	0	1	GEAF	
COc1ccc(S(=O)(=O)N[C@@H](c2nc3ccc(F)c(C)c3[nH]2)[C@@H](C)O)cc1	586935225	COIKBSBNNPSMLF-PIGZYNQJSA-N	393.440	2.419	0	1	GEAF	
CCS(=O)(=O)NCCCc1nc2c(Cl)c(Br)cnc2[nH]1	586942146	HJLASFYTAGNZFD-UHFFFAOYSA-N	381.683	2.246	0	1	GEAF	
CC(=O)N[C@@H](CSCc1ccccc1)c1nc2c(O)nc(S)nc2[nH]1	586973477	OSHGPHKCYRMAHU-NSHDSACASA-N	375.479	2.458	0	1	GEAF	
O=C(O)CCNc1nc(N2CCC(c3ccccc3)CC2)cc(-n2ccnn2)n1	653709739	XLGXBYWRQYQPAW-UHFFFAOYSA-N	393.451	2.328	0	1	GEAF	
CCCc1[nH]nc(C(N)=O)c1NC(=O)/C=C/c1cc(OC)c(OC)c(OC)c1	1857552678	GOWNRCRREKGLOJ-BQYQJAHWSA-N	388.424	2.139	0	1	GEAF	
Cc1cc2nccn2cc1Nc1ncc2c(n1)n([C@H]1CC[C@H](O)CC1)c(=O)n2C	1857600614	WBQASYSJQIQHQU-HDJSIYSDSA-N	393.451	2.306	0	1	GEAF	
CCC(CC)O[C@@H]1C=C(C(=O)NCc2ccc(F)cc2)C[C@H](N)[C@H]1NC(C)=O	1857749423	XADJCPHDFUADPQ-XUVXKRRUSA-N	391.487	2.178	0	1	GEAF	
CN=c1[nH]cc(C(=O)OCc2ccccc2OC)c2nc(-c3ccco3)nn12	1857775005	DBJYLWNPILKULG-UHFFFAOYSA-N	379.376	2.214	0	1	GEAF	
Cc1cnn([C@@H]2[C@H]3OC[C@@H](O3)[C@@H](NCc3ccc(Cl)c(Cl)c3)[C@@H]2O)c1	2356297586	WLFCRFPUULHAJH-NRKLIOEPSA-N	384.263	2.314	0	1	GEAF	
C[C@@H](O)c1c(-c2ccc(Cl)cc2)noc1C(=O)N1CCC(C(N)=O)CC1	2356302801	BYIYHXNHTKZURX-SNVBAGLBSA-N	377.828	2.386	0	1	GEAF	
CC1=C[C@H](CNS(C)(=O)=O)[C@H](C(C)C)C[C@H]1CC(=O)NCc1ccccn1	2356312120	AESHSBPFWZFIFT-SCTDSRPQSA-N	393.553	2.492	0	1	GEAF	
C[C@]1(CCc2cccc(O)c2)Oc2cc3oc(CO)cc(=O)c3c(O)c2C[C@H]1O	2356644437	GGHAEUOIFSGRPC-DENIHFKCSA-N	398.411	2.384	0	1	GEAF	
S=C(NCc1ccco1)NC[C@H]1C[C@H]2CCN1C[C@H]2CN1CCSCC1	2356764939	AIYATVHGDYKGOK-BRWVUGGUSA-N	394.610	2.003	0	1	GEAF	
Cn1c(C(=O)N2CCC3(CC2)OCCO3)cc2c(=O)n(C)c3ccccc3c21	4076026	MKMCYIOAFSOYRZ-UHFFFAOYSA-N	381.432	2.009	0	3	GEAF	
Cc1ccc(-c2nc(C(=O)N3CCC[C@@H](C(=O)N4CCCNCC4)C3)co2)cc1	82069477	BDJQAUZMZHRFMU-GOSISDBHSA-N	396.491	2.324	0	1	GEAF	
Cn1nc(-c2ccnc(Nc3ccc(S(N)(=O)=O)cc3)n2)c2ccccc21	84690007	ZFEYLWUPVGFOSD-UHFFFAOYSA-N	380.433	2.421	0	1	GEAF	
O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1cccc(-c2ccn[nH]2)c1	217119296	BKPPPSJTGGVTON-FQEVSTJZSA-N	376.460	2.226	0	1	GEAF	
O=C(CO)N[C@H]1CC[C@H](CCN2CCN(c3nccc4occc34)CC2)CC1	261154141	PNHVOOVVCPJXPA-QAQDUYKDSA-N	386.496	2.007	0	1	GEAF	
O=c1cc(OC[C@H](O)CN2CCN(Cc3ccccc3)CC2)c2ccccc2o1	299839794	ZHCXDLOCSOVNSX-LJQANCHMSA-N	394.471	2.351	0	1	GEAF	
O=C(CNC(=O)c1ccccc1)NN1C(=O)CS[C@@H]1c1ccccc1Cl	299841471	ZYXCZVOBYHZGJK-GOSISDBHSA-N	389.864	2.375	0	1	GEAF	
Cc1c(O)c(C(C)(C)C)cc(CSC[C@H](N)C(=O)O)c1CC1=NCCN1	299854100	UGJKRZCZFCWZDE-HNNXBMFYSA-N	379.526	2.187	0	1	GEAF	
NS(=O)(=O)c1cccc2nc(C(F)(Br)Br)[nH]c12	587087115	LZINUCNFKVVLDJ-UHFFFAOYSA-N	387.028	2.080	0	1	GEAF	
O=S(=O)(c1ncccc1-c1nc2c(S)nc(S)nc2[nH]1)C(F)(F)F	587126466	BNMFUQBQZCONTJ-UHFFFAOYSA-N	393.397	2.286	0	1	GEAF	
CN1C=C(C(=O)O)[C@]2(NCCc3c(C(=O)O)cccc32)c2cc(F)cc(F)c21	963123374	ODUDIXUBYZDIDT-HXUWFJFHSA-N	386.354	2.471	0	1	GEAF	
CCOC(=O)C[C@]1(c2ccc3c(c2)OCO3)NCCc2c(C(=O)O)cccc21	963125751	SXYDOYWEEHGKKB-OAQYLSRUSA-N	383.400	2.456	0	1	GEAF	
COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)c2ccc(F)c(N)c2)c1	1772587187	YCXCGHRJLIOJRZ-UHFFFAOYSA-N	386.427	2.199	0	1	GEAF	
Nc1c(O)nc(O)nc1C(=O)N[C@@H]1CCc2cc(OCc3ccccc3)ccc21	1857575965	LZSVSZJDLSTBAJ-MRXNPFEDSA-N	392.415	2.466	0	1	GEAF	
COCc1cc(C[C@@H]2CC[C@@H](O)[C@@H](CNC(=O)Nc3ccccc3)O2)no1	2356287165	DDTOIUXWFJLRJF-CGTJXYLNSA-N	375.425	2.094	0	1	GEAF	
CCOC(=O)[C@H]1CCCN(C(=O)CN2C(=O)[C@H](CC)Oc3ccc(C)cc32)C1	2943329	XABCHADCXUZYQW-RDJZCZTQSA-N	388.464	2.301	0	3	GEAF	
CCOC(=O)/C=C/c1cc(CN2CCN(c3ccccn3)CC2)cc(C(N)=O)c1	29404634	GKPVTQTVQVPDLH-VOTSOKGWSA-N	394.475	2.079	0	1	GEAF	
CC(=O)c1c(Cl)n([C@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2cc(Cl)c(Cl)cc12	49792740	DLTDTXGOENZZDK-OPQSFPLASA-N	394.638	2.416	0	1	GEAF	
Cc1cc([C@H](C)NCCN(C)Cc2ccc3c(c2)OCO3)nc(-n2ccnc2)n1	73195854	KTUFQAOQDMNSOU-INIZCTEOSA-N	394.479	2.482	0	1	GEAF	
COC(=O)C[C@@H]1C=C[C@H](NC(=O)Nc2ccc(C(F)(F)F)cc2)[C@H](CO)O1	95677647	PYGNPVIZRZQEAZ-IHRRRGAJSA-N	388.342	2.075	0	1	GEAF	
O=C(O)CC1CCN(c2nc(-c3ccccc3)nc3c2CS(=O)(=O)C3)CC1	96923876	KENBVRJGZPLQEH-UHFFFAOYSA-N	387.461	2.263	0	1	GEAF	
CC[C@@]1(C(=O)OC)N[C@H](c2ccco2)[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]21	169294980	MFLOOZLIIRLPET-AXHMDWHKSA-N	386.379	2.191	0	1	GEAF	
CCC[C@@H](CCO)Nc1nc(N)nc2c1CN(C(=O)c1cccs1)CC2	219152236	SBHWZMSEJDYFNS-LBPRGKRZSA-N	375.498	2.282	0	1	GEAF	
CN(C)S(=O)(=O)c1ccc2nc(CSc3nnc(S)s3)[nH]c2c1	587025906	SMKBRUSERDZWIK-UHFFFAOYSA-N	387.537	2.246	0	1	GEAF	
O=C1CSC[C@@H](c2nc3c(Br)cnc(Br)c3[nH]2)N1	587043813	NIFVCUVWXANDSJ-YFKPBYRVSA-N	392.076	2.387	0	1	GEAF	
Cc1nc([C@H](CN)NC(=O)c2nc(-c3ccc(Cl)cc3)c[nH]2)sc1CO	1772582308	BRSDMTYVDITUKQ-LBPRGKRZSA-N	391.884	2.417	0	1	GEAF	
Cc1c(N2C[C@@H]3C[C@]3(N)C2)c(F)cc2c(CN)c(Cl)c(=O)n(C3CC3)c12	1911586337	UALCDBWEERFPLS-OVWNDWIMSA-N	376.863	2.433	0	1	GEAF	
COc1ccc(C(=O)N[C@@H]2[C@H](c3ccc(C(F)(F)F)nc3)C[C@H](O)[C@H]2O)cc1	2356287046	XKDVBHFVUCZXLU-XJNFMUPTSA-N	396.365	2.117	0	1	GEAF	
CC1=C[C@H](CN2CCN(CCO)CC2)[C@H](C(C)C)C[C@H]1Cc1nnc(C)o1	2356300159	AORZHWVQPWCCCB-ZCNNSNEGSA-N	376.545	2.385	0	1	GEAF	
Cc1nccn1[C@@H]1[C@H]2OC[C@@H](O2)[C@@H](NCc2ccc(Cl)c(Cl)c2)[C@H]1O	2356455497	WDTPVGKHFOLDQN-UUAJXVIYSA-N	384.263	2.314	0	1	GEAF	
CC(C=CC(=O)N[C@@](C)(CO)C(=O)O)=C[C@@H](C)C(=O)c1ccc(N(C)C)cc1	2356596917	VTYVYDJWZOWXEE-VFNWGFHPSA-N	388.464	2.026	0	1	GEAF	
O=C1CC2(CCCCC2)C(=O)N1CCCCN1CCN(c2ncccn2)CC1	26171971	LEICRNXJPOAILJ-UHFFFAOYSA-N	385.512	2.088	0	1	GEAF	
N[C@H](Cc1cc(F)cc(F)c1)C(=O)N1CCN(c2ncnc3ccccc23)CC1	64528159	NVNIQKOLISHGOO-GOSISDBHSA-N	397.429	2.127	0	1	GEAF	
O=c1ccn(CCCc2cnnn2C(c2ccccc2)c2ccccc2)c(=O)[nH]1	95554295	CLIPGCPBBAVCJP-UHFFFAOYSA-N	387.443	2.399	0	1	GEAF	
CCn1c(-c2ccc(C)cc2)cs/c1=N\C(P(=O)(O)O)P(=O)(O)O	102966515	QZJZHHHGCXRDLZ-OWBHPGMISA-N	392.310	2.085	0	1	GEAF	
CC(=O)Nc1ccc(NC(=O)Cn2ncc3c4ccccc4nc-3c2O)cn1	103536089	FOCSTAFIFXBYRJ-UHFFFAOYSA-N	376.376	2.234	0	1	GEAF	
CCOc1ccccc1/C=C/S(=O)(=O)Nc1ccccc1S(N)(=O)=O	146550927	CMBFXOIUIXAOQN-VAWYXSNFSA-N	382.463	2.145	0	1	GEAF	
Cc1ncc(C)c(N2CC[C@@H](C)N(C(=O)c3ccccc3-n3nccn3)CC2)n1	473111421	BAZNCIHVTQDHPY-MRXNPFEDSA-N	391.479	2.415	0	1	GEAF	
Nc1ncnc2[nH]c(CCC[S@](=O)c3ccc(Br)cc3)nc12	586960996	RLFMGTWXKFIPDB-QFIPXVFZSA-N	380.271	2.438	0	1	GEAF	
COc1ccc(-c2noc([C@@H](C)O)c2C(=O)NC2CCOCC2)cc1OC	2356303516	XILAIKODTULBKE-LLVKDONJSA-N	376.409	2.321	0	1	GEAF	
COc1ccc([C@@]2(C(C)=O)c3cc4c(cc3C(=O)[C@]2(C)O)OCO4)cc1OC	2356694899	MEAISABYZJYHCH-SFTDATJTSA-N	384.384	2.255	0	1	GEAF	
Cc1nc(-c2ccco2)cc([C@H]2CN3CC[C@H]2C[C@H]3CNC(=O)CCC(=O)O)n1	2356809436	AQSSFCKXYOXDJC-JYJNAYRXSA-N	398.463	2.204	0	1	GEAF	
NC(=O)NCC(=O)NC[C@@H]1Cc2cccc(-c3ccccc3C(F)(F)F)c2O1	12281474	XYRWUDYROZOTPH-LBPRGKRZSA-N	393.365	2.460	0	1	GEAF	
COc1cc2ncnc(N3CCN(C(=O)Nc4ccncc4)CC3)c2cc1OC	13491527	WAXBUINOWIVVFH-UHFFFAOYSA-N	394.435	2.396	0	1	GEAF	
CC[C@H](O)CO[C@@H]1CN2Cc3cc4c(cc3[C@@]13CC[C@@H](OC)C[C@@H]23)OCO4	15266225	CAWUOMCIUGNLPP-OLMFILLTSA-N	375.465	2.206	0	1	GEAF	biogenic
NCc1ccc(CCCNCCNS(=O)(=O)c2ccc3c(c2)CCC3)cc1	34804679	FVIQCYPEJUJZQG-UHFFFAOYSA-N	387.549	2.135	0	1	GEAF	
CC(C)NC(=O)N(C)C[C@H]1Oc2c(cccc2N(C)C)C(=O)N(C)C[C@H]1C	95662602	DLRFYPBLXGENKV-RHSMWYFYSA-N	376.501	2.272	0	1	GEAF	
O=C(CC1CC1)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2C(=O)c1cccnc1	95794240	UDCLHFLVEFRBAT-TZIWHRDSSA-N	391.471	2.063	0	1	GEAF	
CC(C)(C)[C@@H](O)C(=O)N1CCCC[C@H]1C(=O)NCc1cc(Cl)ccc1CN	103269074	ADLHOYNNHIATDP-IRXDYDNUSA-N	395.931	2.203	0	1	GEAF	
O=C(Nc1ccc(C(=O)N2C[C@@H]3CCO[C@@H]3C2)cc1)N1Cc2ccncc2C1	166062962	TWENDCAVWTYMIJ-QFBILLFUSA-N	378.432	2.490	0	1	GEAF	
O=c1c(Cl)c(Cl)cnn1C[C@H](CO)NCc1cnc2ccccc2c1	169328814	ZNHLYRLAUGNJIS-CYBMUJFWSA-N	379.247	2.249	0	1	GEAF	
O=C(Nc1ccc(C2CCCCC2)cc1)[C@H]1C(=O)N[C@H](Cc2ncc[nH]2)C1=O	169727321	PROCPCGEIGHULW-AEFFLSMTSA-N	380.448	2.322	0	1	GEAF	
COc1cncc(-c2ccc3c(c2)[C@@]2(COC(N)=N2)C2(COC2)C(C)(C)O3)c1	220715598	IAWZSEUFAASPLV-NRFANRHFSA-N	381.432	2.485	0	1	GEAF	
CCc1nn(CCCN2CCN(c3ccc(C)cc3)CC2)c(=O)c(N)c1C(C)=O	473113348	FYMQAQYBJBNFNS-UHFFFAOYSA-N	397.523	2.111	0	1	GEAF	
CCS(=O)(=O)c1ccc2[nH]c(-c3ccc(NS(C)(=O)=O)cc3)nc2c1	586951352	XLPZISSTISVMTI-UHFFFAOYSA-N	379.463	2.395	0	1	GEAF	
NS(=O)(=O)c1cccc2nc(C3CCN(c4nccnc4Cl)CC3)[nH]c12	587084421	AHRXVTIFYZWHLG-UHFFFAOYSA-N	392.872	2.038	0	1	GEAF	
COc1cccc(CN2C(=O)c3c(C)nc(-c4nc(C)no4)c(N)c3C2=O)c1	653754034	YTMRLGBKKRLFJV-UHFFFAOYSA-N	379.376	2.135	0	1	GEAF	
COCCCN1CCC(O)(CNC(=O)c2nc(C(C)C)n3ccccc23)CC1	653803553	AGXATRYRGJTZAT-UHFFFAOYSA-N	388.512	2.051	0	1	GEAF	
COc1ncnc(OC)c1[C@@H]1c2ccccc2C[C@@]2(C3CCC3)C(=O)NC(=O)N12	962660239	GRALBOVVHXVAPF-HRAATJIYSA-N	394.431	2.230	0	1	GEAF	
COc1ccc(CCNC(=O)CN2C[C@H](c3ccccc3)CC2=O)cc1OC	4928054	AWRCIJJDCGBYTK-GOSISDBHSA-N	382.460	2.379	0	1	GEAF	
CS(=O)(=O)CCc1cccc(C(=O)c2cnn(-c3ccc(F)cc3)c2N)c1	13683077	FAOCNBXKNCERRY-UHFFFAOYSA-N	387.436	2.412	0	1	GEAF	
CNC(=O)Cn1cc(C(=O)[C@@H]2CS[C@@H](c3cccnc3)N2)c2ccccc21	13737496	FWMQYIRROZJAEN-JXFKEZNVSA-N	380.473	2.369	0	1	GEAF	
COc1ccc(CC2=NO[C@@H](CNC(=O)[C@@H]3COc4ccccc4O3)C2)cc1	14882109	UNMRSSZPCCCUPE-XLIONFOSSA-N	382.416	2.339	0	1	GEAF	
O=C(O)c1cn(Cc2ccccc2)c2cc(N3CCNCC3)c(F)cc2c1=O	28767196	INBKMNOFVDZWGH-UHFFFAOYSA-N	381.407	2.297	0	1	GEAF	
COc1ccc2nccc([C@@H](c3nnnn3C(C)(C)C)N3CCOCC3)c2c1	84733105	GCOLZQGPSIYWDG-SFHVURJKSA-N	382.468	2.407	0	1	GEAF	
COc1cc(C2=C(c3c[nH]c4ncccc34)C(=O)NC2=O)cc(OC)c1OC	95572100	ZCUUBSJCFFWOOY-UHFFFAOYSA-N	379.372	2.156	0	1	GEAF	
COc1ccc2cc(C(=O)CN3CCN(c4ccccn4)CC3)c(=O)oc2c1	96905754	KRDQKVSPVDAXRX-UHFFFAOYSA-N	379.416	2.202	0	1	GEAF	
O=C(NCc1ccccc1)[C@@H]1[C@@H]2C=C[C@]3(CN(Cc4cccs4)C(=O)[C@H]13)O2	101242290	IILVDRCTCCJXCW-TWFHAPMSSA-N	380.469	2.347	0	1	GEAF	
CN1C(=O)[C@@H](NC(=O)c2ncc(Cc3ccccc3)o2)COc2ccccc21	1772573816	MXFYWJGZIMCVJB-INIZCTEOSA-N	377.400	2.419	0	1	GEAF	
CS(=O)(=O)N1CCC([C@H](O)c2cncnc2Sc2ccc(F)cc2)CC1	1772583548	VPHKETSVGHNSAC-INIZCTEOSA-N	397.497	2.472	0	1	GEAF	
Cc1cccc(C)c1-n1nnnc1[C@@]1(C)CCC(=O)N1CCCn1ccnc1	199214859	YIAVOUYWRYEHQY-HXUWFJFHSA-N	379.468	2.404	0	3	GEAF	
COc1ccc(S(=O)(=O)n2nc(-c3ccccc3OC)cc2N)cc1OC	5034638	ZGGKAIWFHNESEF-UHFFFAOYSA-N	389.433	2.395	0	1	GEAF	
O=C1NC(=O)[C@H](Cc2ccc(OC[C@H]3CN(c4ccccn4)CCO3)cc2)S1	26576296	BFPDABDSWKDGOH-SJORKVTESA-N	399.472	2.260	0	1	GEAF	
CCOC(=O)c1ccc(NC(=O)N2CCCN2C(=O)[C@@H](N)[C@H](C)CC)cc1	28135244	IBOYYXJFLGIIGZ-CJNGLKHVSA-N	376.457	2.218	0	1	GEAF	
COc1cc2[nH]c(=S)n(CCN3CCOCC3)c(=O)c2cc1-c1cnco1	28341600	GZTMWGCKRLBDBG-UHFFFAOYSA-N	388.449	2.055	0	1	GEAF	
CCN(CC)CCNC(=O)c1ccc2cncc(I)c2n1	40977570	BJKQGBVMTWWCOA-UHFFFAOYSA-N	398.248	2.306	0	1	GEAF	
O=C(NC1CC1)[C@@H]1O[C@@H]2O[C@H]1C(=O)N(Cc1ccccc1)[C@H]2Cc1ccccc1	45337335	GVVRSFFSFKTVEK-DZCCDHAISA-N	392.455	2.029	0	1	GEAF	
Cn1cc(-c2cnn3c(N)c(Br)c(C[C@H]4CCCNC4)nc23)cn1	66111832	KGHAUCVQULTIQE-SNVBAGLBSA-N	390.289	2.017	0	1	GEAF	
Cc1noc(C)c1Cn1cc(N2C(=O)N[C@H](COCc3ccccc3)C2=O)cn1	115732049	ZSOJFHYZFZLLAJ-GOSISDBHSA-N	395.419	2.178	0	1	GEAF	
COC(=O)c1ccc2nc(CS(=O)(=O)c3ccc(OC)cc3)[nH]c2c1OC	586920028	DIBGPKHKGBYXQF-UHFFFAOYSA-N	390.417	2.341	0	1	GEAF	
NS(=O)(=O)c1ccc(CCc2nc3cncc(Br)c3[nH]2)cc1	586929712	HOQDUEBNDFIQAR-UHFFFAOYSA-N	381.255	2.153	0	1	GEAF	
CN(C)S(=O)(=O)c1ccc(OCc2nc3ccc([C@H](N)N=O)cc3[nH]2)cc1	586931642	HNXICCABABPLDL-QGZVFWFLSA-N	389.437	2.116	0	1	GEAF	
CCOC(=O)c1cc(Br)c2[nH]c([C@@H]3CSCC(=O)N3)nc2c1	587044391	VJSJYGWSNPHROU-JTQLQIEISA-N	384.255	2.406	0	1	GEAF	
COc1cc(-c2nc3cccc(C(N)=O)c3[nH]2)ccc1OCC(=O)NC(C)C	587225134	QTTQFLPEOQZSNL-UHFFFAOYSA-N	382.420	2.241	0	1	GEAF	
CCOC(=O)CC[C@]1(CC(=O)OCC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	587441510	KXIHKFLKYXYJSH-JLTOFOAXSA-N	376.405	2.478	0	1	GEAF	
COc1cc2c3c(c1)O[C@@H](C1CCN(S(=O)(=O)C4CC4)CC1)[C@@H](C2)C3=O	587447741	FEIZBQCUBZKSAH-KXBFYZLASA-N	377.462	2.015	0	1	GEAF	
CCOC(=O)C(C[C@@]1(C)NC[C@H]2CC(=O)N(C)c3cccc1c32)C(=O)OCC	963018939	DAKXOUGLRHKXIU-LRTDBIEQSA-N	388.464	2.088	0	1	GEAF	
C[C@@H]1C[C@@H]2OC(=O)[C@@H]3CCC[C@]([C@@H]4C(=O)O[C@H](c5ccoc5)[C@H]4O)(O1)[C@@]23C	2356573506	PSFXEAJPVCTVJM-GAUHSUIFSA-N	376.405	2.134	0	1	GEAF	
CC=C(C)C(=O)O[C@@H]1C[C@H]2C[C@@H](OC(=O)C=C(C)C(=O)OCC)C[C@H]1N2C	2356668787	BMCYUBMWFPFWQQ-QBPKDAKJSA-N	379.453	2.152	0	1	GEAF	
O=C(NC[C@H]1COc2ccccc2O1)c1ccc(NC(=O)[C@H]2CCCO2)cc1	4079410	YGDUZEWCOWEVDK-QFBILLFUSA-N	382.416	2.374	0	3	GEAF	
C[C@@H]1CC(=O)N(CC(=O)Nc2ccc(F)cc2)c2ccccc2S1(=O)=O	6806573	MYHCYDOJNSQUKG-GFCCVEGCSA-N	376.409	2.363	0	3	GEAF	
COc1ccc(-c2noc(-c3ccccc3OC)c2C(=O)NC[C@@H](O)CO)cc1	774487	SDEGMBXVAHTKRY-CQSZACIVSA-N	398.415	2.109	0	1	GEAF	
COc1cc2c(cc1OC)[C@@]13CCN4CC5=CCO[C@H]6CC(=O)N2[C@H]1[C@H]6[C@@H]5C[C@@H]43	8579947	RRKTZKIUPZVBMF-GOFLTVHPSA-N	394.471	2.110	0	1	GEAF	
CC(C)c1ccc(C[C@H](C[P@](=O)(O)[C@H](C)N)C(=O)N[C@@H](C)C(=O)O)cc1	13807178	CUZVLZFRSCFAGJ-WOSRLPQWSA-N	384.413	2.133	0	1	GEAF	
CCOc1ccccc1[C@H]1CN(c2nc(-c3ccncc3)cc(=O)n2C)CCN1	34525340	SPBOCAARPDADTI-LJQANCHMSA-N	391.475	2.392	0	1	GEAF	
CO[C@@H]1CCC[C@H]([C@H](C)Nc2nc(N3CCC[C@H](C(N)=O)C3)ncc2C)C1	82204040	OOFOHMVGJVOGTA-LUKYLMHMSA-N	375.517	2.492	0	1	GEAF	
C/C=C/c1ccc([C@H]2[C@H](CO)N(S(C)(=O)=O)[C@H]2CNCC2CCC2)cc1	95664293	VVWAWFNNXRTOEN-DIEYLWATSA-N	378.538	2.198	0	1	GEAF	
O=C1[C@H]2C=C(I)[C@@H](C[C@H]2OCCCCCCO)[C@]12CO2	101614788	QFMSBBZGQQICDX-FMVNMVDZSA-N	392.233	2.231	0	1	GEAF	
CC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(-c2nsc(=O)o2)cc1	169334474	UTMWNVYSIIRNHA-INIZCTEOSA-N	383.429	2.449	0	1	GEAF	
Cc1onc([C@H]2CCCCN2)c1COc1ccc(C(=O)NC(C)(C)CO)cn1	169685415	PQPUUIAXYMGCEL-MRXNPFEDSA-N	388.468	2.272	0	1	GEAF	
CCNC(=O)CCc1nc2c(I)cnc(Cl)c2[nH]1	587229807	DGFGFOIWFYCPHF-UHFFFAOYSA-N	378.601	2.285	0	1	GEAF	
COc1ccc(Cc2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)cc1OC	587927830	XZVPEHIFTXHDLZ-UHFFFAOYSA-N	375.450	2.421	0	1	GEAF	
F[C@@H]1CN(Cc2ccc3c(c2)OCCO3)C[C@H]1OCc1nc2cccnc2[nH]1	2356302041	KMABUUNEMHFZJJ-RDTXWAMCSA-N	384.411	2.468	0	1	GEAF	
COCC[C@@](O)(C(=O)O[C@H]1CN2CCC1CC2)c1ccc(Br)cc1	13650144	ZOZWUVWBBRZFQH-WMZOPIPTSA-N	398.297	2.311	0	1	GEAF	
N=C(N)NCc1ccc([C@H]2CC/C(=C/I)OC2=O)cc1	27427730	HNGQAWXKSWVXIP-SEVUFMINSA-N	385.205	2.367	0	1	GEAF	
COc1ccc(-c2cnc3nc(N)nc(N4CCSCC4)c3n2)cc1OC	66258673	IJUHEDRABMCMJM-UHFFFAOYSA-N	384.465	2.239	0	1	GEAF	
CCS(=O)(=O)N1CCN([C@H](c2ccc(Cl)cc2)c2cncnc2)CC1	72101645	LVMOLPJMCFJLGG-QGZVFWFLSA-N	380.901	2.187	0	1	GEAF	
CC(C)c1cn(CC[C@@H]2CC[C@@H](NC(=O)c3cccc(F)c3)[C@H](CO)O2)nn1	95675292	QKYXERGZTDIPLJ-SCTDSRPQSA-N	390.459	2.269	0	1	GEAF	
O=C(CC1CC1)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2C(=O)c1cccnc1	95794213	UDCLHFLVEFRBAT-PZJWPPBQSA-N	391.471	2.063	0	1	GEAF	
O=C(O)c1cn(C2CC2)c2c3c(c(F)cc2c1=O)N1CCC[C@@H]1C[S@@](=O)C3	113151627	ZAULWXLIJFMPGD-LUGWNYHVSA-N	390.436	2.405	0	1	GEAF	
CCOC(=O)[C@@H]1C(COC(=O)c2ccc3ccccc3c2O)=NC(=O)N[C@@H]1C	169691902	AERNAALFHASSPO-BZNIZROVSA-N	384.388	2.434	0	1	GEAF	
CCOC(=O)c1sc2nc(Cc3nnc(S)n3CC)nc(O)c2c1C	299829196	ZJYMZLQYNBROMK-UHFFFAOYSA-N	379.467	2.373	0	1	GEAF	
O=C(O)CNCCNCc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1	587229256	SXNNCTKIYGTASM-UHFFFAOYSA-N	395.179	2.108	0	1	GEAF	
COc1ccc(C=O)c(-c2nc3cc(S(=O)(=O)N(C)C)ccc3[nH]2)c1OC	587789887	AUPWVISKVSALJS-UHFFFAOYSA-N	389.433	2.310	0	1	GEAF	
CC(=O)OCC1(COC(C)=O)N[C@H](C)Cc2ccc(F)c(Br)c21	587797325	WHXKIGNWSTWJRP-SECBINFHSA-N	388.233	2.444	0	1	GEAF	
C=CS(=O)(=O)N1C[C@H]2CN(Cc3ccc(OC(F)(F)F)cc3)C[C@@H]2C1	618020205	KEIASWXZWRWHKW-ZIAGYGMSSA-N	376.400	2.422	0	1	GEAF	
COc1ccc(-c2cnc3cnc(-c4cccc(C(=O)NCCO)c4)cn23)cn1	1857620022	XXGIVKUNYCJSSH-UHFFFAOYSA-N	389.415	2.189	0	1	GEAF	
COC(=O)c1ccc2nc(CO[C@@H]3CN(C4CCOCC4)C[C@@H]3F)[nH]c2c1	2356299984	RLGFPTXYVLLMPB-WMLDXEAASA-N	377.416	2.067	0	1	GEAF	
COC[C@]1(O)CC[C@@H]2C1=C[C@@]1(O)O[C@@H](CC3=C(C(C)C)C(=O)O[C@]31C)[C@H]2C	2356326247	VORAYVCCQFEERK-YLCNEKDBSA-N	378.465	2.096	0	1	GEAF	
COC(=O)CCCC=CC[C@@H]1C(=O)C[C@H](O)[C@@H]1C=C[C@@H](O)CCC[C@@H](C)O	2356330825	BDWABOZEWSSNDO-QTVCLEQKSA-N	382.497	2.310	0	1	GEAF	
CC(=O)O[C@@H]1C[C@H](CO)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@H](O)CC(=O)O3)[C@H]21	2356431342	MMJWMAXYKPRTQH-PAFATFKMSA-N	378.465	2.142	0	1	GEAF	
CCN1CCC[C@@H]1CNC(=O)c1ccc(-n2c(=O)c(O)nc3ccccc32)cc1	8586473	BVBURHKKLMNICB-QGZVFWFLSA-N	392.459	2.305	0	1	GEAF	
O=C(NC1[C@@H]2CC3C[C@@H]1CC(O)(C3)C2)c1cnc(N[C@H]2CCOC2)nc1C1CC1	101584624	DFVVWZTUNUJGGE-YYDONVJRSA-N	398.507	2.224	0	1	GEAF	
COc1cc2c(cc1OC)[C@]13CCN4C[C@@H]5C=CO[C@@H]6CC(=O)N2[C@@H]1[C@H]6[C@H]5C[C@H]43	2356766571	OQWSVCXXAYKEFF-HYRGKHGHSA-N	394.471	2.313	0	1	GEAF	
CN1C(=O)[C@@H]2[C@@H](N=C(/C=C/c3cccc(Br)c3)N2C)N(C)C1=O	40943745	QOHOUMPHJONRCD-SWICKSTGSA-N	377.242	2.025	0	1	GEAF	
COc1cc(Cc2cnc(N)nc2N)cc(OCCCCCCN)c1OC	45228422	PMLBFFDUYQSOCN-UHFFFAOYSA-N	375.473	2.147	0	1	GEAF	
COc1ccc(Nc2nc(N[C@H]3CCCC[C@H]3N)n3ccnc3c2C(N)=O)cc1	40848303	DVIGASXUWCPKAT-CABCVRRESA-N	395.467	2.262	0	1	GEAF	
CCCCc1ccc(Nc2nc(N)c3ncn([C@@H]4C[C@@H](O)[C@H](CO)O4)c3n2)cc1	95560502	HCEJDJJGQULFHV-PMPSAXMXSA-N	398.467	2.135	0	1	GEAF	
O=C(c1c(-c2ccc3[nH]ncc3c2)nnn1Cc1ccccc1)N1CCOCC1	146155379	BUHYHEJHTNVIOL-UHFFFAOYSA-N	388.431	2.342	0	1	GEAF	
CN1C(=O)C[C@@H](c2ncncc2F)N=C1N1CCO[C@@H](c2ccc(F)cc2)C1	146170403	DFWLNCCVLIFYDO-JKSUJKDBSA-N	387.390	2.088	0	1	GEAF	
CC(=O)Nc1cccc(Cn2c(=O)oc3cc(OC(=O)N(C)C)ccc3c2=O)c1	653873338	FGDMAJAPDHFDJE-UHFFFAOYSA-N	397.387	2.022	0	1	GEAF	
COc1cc2c3c(c1)OC1(CN(S(=O)(=O)c4ccc(C)cc4)C1)[C@@H](C2)C3=O	587448631	KTLCXBZGJFPLLG-INIZCTEOSA-N	385.441	2.194	0	1	GEAF	
CCOC(=O)C1=C(N)Oc2n[nH]c(C)c2[C@@H]1c1cc(=O)oc2cc(C)ccc12	1772598236	AXSWVJNCZPHRSV-INIZCTEOSA-N	381.388	2.391	0	1	GEAF	
CS(=O)(=O)c1ccc2nc(NC(=O)[C@H]3[C@@H](C(=O)O)[C@@H]4C=C[C@H]3C4)sc2c1	12469830	VCXQHHJYPXWYIK-DZLLMUEISA-N	392.458	2.161	0	1	GEAF	
COc1ccc(NC(=O)N2CCN(C3=NC(=O)[C@@H](c4ccccc4)O3)CC2)cc1	169346496	MZXOOMGJXLMFBG-GOSISDBHSA-N	394.431	2.499	0	1	GEAF	
C[C@H](N[C@@H](CCc1cccc2ccccc12)C(=O)O)C(=O)N1CCC[C@H]1C(=O)O	3814185	CTHFSMGTKMPAKM-JVPBZIDWSA-N	398.459	2.279	0	1	GEAF	
CCCCNS(=O)(=O)c1ccc(S(=O)(=O)n2cnc3ccccc32)cc1	4935606	IGUCTXQMGPTADQ-UHFFFAOYSA-N	393.490	2.352	0	3	GEAF	
C[C@@H](C(=O)N[C@@H]1[C@H]2CC3C[C@@H]1C[C@@](O)(C3)C2)N1CC(Oc2ccccc2F)C1	101064689	XNSQYEZFDGACIR-XUDSRQEGSA-N	388.483	2.333	0	1	GEAF	
O=C1c2ccccc2C(=O)N1c1ccc(S(=O)(=O)Nc2ccncn2)cc1	1911572531	BQMCIQGVFAYDGA-UHFFFAOYSA-N	380.385	2.078	0	1	GEAF	
CCCc1c(O)c2[nH]c(CCCN3N=C(Cl)CCC3=O)nc2n(C)c1=O	26673464	QOBCNNSFNXJODS-UHFFFAOYSA-N	379.848	2.027	0	1	GEAF	
CN[C@@H](C)[C@@H]1CCN(c2cc3c(c(N)c2F)c(=O)c(C(=O)O)cn3C2CC2)C1	34097326	IREVOVMSSRKOJM-WDEREUQCSA-N	388.443	2.190	0	1	GEAF	
COc1cccc(OC)c1OC(=O)[C@H](CC(=O)N1CCCC1)N1CCCC1	40632439	WYFQVLGJZOTYBV-HNNXBMFYSA-N	376.453	2.086	0	1	GEAF	
Cc1cc(S(=O)(=O)n2cc(NC(=O)c3ccccn3)cn2)cnc1Cl	198778477	GWNDACNKYKNSQF-UHFFFAOYSA-N	377.813	2.124	0	1	GEAF	
COC(=O)C[C@H]1CC[C@@H](NC(=O)Nc2ccc(C(F)(F)F)cc2)[C@@H](CO)O1	95675889	HFDKIVHAHGCNSH-MGPQQGTHSA-N	390.358	2.299	0	3	GEAF	
CCOC(=O)Nc1ccc(C(=O)NCc2nc3cc(C(=O)OC)ncc3[nH]2)cc1	587229021	YIKGTYRQCQRPAY-UHFFFAOYSA-N	397.391	2.243	0	1	GEAF	
CC(=O)C(C(C)=O)[C@@]1(C)N[C@@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21	962708929	LDONCOUPWPOMSF-CJNGLKHVSA-N	375.318	2.453	0	1	GEAF	
CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(ccc4ocnc43)nc2-1	3827624	PHMHRMMKIWHPNY-NRFANRHFSA-N	389.367	2.221	0	1	GEAF	
COc1cccc2nc(C[C@H]3CN(Cc4cnc[nH]4)CC[C@@H]3CC(=O)O)[nH]c12	2356720462	AVFCMUDTPUXTHM-KGLIPLIRSA-N	383.452	2.450	0	1	GEAF	
CS(=O)(=O)N1CCCC[C@@H]1c1cc(C(=O)NCc2ccc(F)cc2)no1	61904409	PNQLGQSJAKYJDE-OAHLLOKOSA-N	381.429	2.230	0	3	GEAF	
Cc1cc(Oc2ccc(S(N)(=O)=O)cc2CN(C)C)ccc1[S@@](C)=O	40424097	GUEUKMXCMIUBEX-DEOSSOPVSA-N	382.507	2.234	0	1	GEAF	
CCCNC(=O)Nc1cccc(-c2nc(NCCCO)c3ncn(C)c3n2)c1	49785054	ZGESJVCNFZUPKN-UHFFFAOYSA-N	383.456	2.356	0	1	GEAF	
CN(C)CCCN(C)S(=O)(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1	142888379	HETPZWLRRXRTRS-UHFFFAOYSA-N	392.403	2.328	0	1	GEAF	
CC(=O)N1CC2(C1)[C@H](c1ccc(-c3ccc(F)cc3)cc1)[C@@H](CO)N2C(C)=O	95794085	ZKEDJFSNOIYPIT-NHCUHLMSSA-N	382.435	2.400	0	1	GEAF	
CCNC[C@@H]1[C@@H](c2ccc(-c3ccc(F)cc3)cc2)[C@H](CO)N1S(C)(=O)=O	95662527	IVSMRWMRBRIPIG-HSALFYBXSA-N	392.496	2.191	0	1	GEAF	
O=C(N[C@@H]1CC[C@@H](CCn2cc(C3CCCC3)nn2)O[C@@H]1CO)c1cccnc1	95794871	JAHQNXWPFXREPC-NLWGTHIKSA-N	399.495	2.059	0	1	GEAF	
O=c1nc(N(CCCO)Cc2cccc3ccccc23)cc(N2CCOCC2)[nH]1	95557492	AWIRBEHTBKVPOT-UHFFFAOYSA-N	394.475	2.149	0	1	GEAF	
COc1cc(C)ccc1-c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1	587925017	IRGAGZIMFBIYIZ-UHFFFAOYSA-N	394.475	2.297	0	1	GEAF	
O=C(CCc1nc2c(Cl)ncnc2[nH]1)Nc1nnc(-c2ccncc2)s1	587023470	BYFQKVAOMRSJEP-UHFFFAOYSA-N	386.828	2.491	0	1	GEAF	
C[C@@]1(c2cnc3sccn3c2=O)N[C@H](C(=O)O)Cc2c1cnc1ccccc21	963228218	NZHQCWCNLZKNRU-OXJNMPFZSA-N	392.440	2.167	0	1	GEAF	
CC1CCN(NC(=S)SCC(=O)NCc2ccc3c(c2)OCO3)CC1	1772650316	YRATZSJGRWJROO-UHFFFAOYSA-N	381.523	2.286	0	1	GEAF	
C[C@H]1Cn2cc(C(=O)O)c(=O)c3cc(F)c(N4CCN(C)CC4)c(c32)S1	13888320	QLALJUSDTOSHEW-JTQLQIEISA-N	377.441	2.085	0	1	GEAF	
C[C@H]1Cn2cc(C(=O)O)c(=O)c3cc(F)c(N4CCCNCC4)c(c32)S1	1913698	HNPFYBVGMDGOKS-JTQLQIEISA-N	377.441	2.133	0	1	GEAF	
CC1=C[C@H](CN2CCN(CCO)CC2)[C@@H](C(C)C)C[C@H]1Cc1nnc(C)o1	2356300156	AORZHWVQPWCCCB-XUVXKRRUSA-N	376.545	2.385	0	1	GEAF	
CCCNC[C@H]1Cn2c(cc3ccc(C(=O)Nc4nccs4)cc32)C(=O)N1	29125909	JZXGEDATYPLTJJ-AWEZNQCLSA-N	383.477	2.462	0	1	GEAF	
CCCCCC[C@@H](O)CCCCCCCCC[C@@H](O)[C@H](O)C(N)(CO)CO	27519156	VJJVXJUKURXWQZ-AQNXPRMDSA-N	391.593	2.233	0	1	GEAF	
CCO[C@@H]1CC[C@@]2(CC(=O)c3cc(O)ccc3O)C(=O)OC[C@@]12C(OC)OC	2356586556	FKTBPUPWFHCNQN-AHRSYUTCSA-N	394.420	2.018	0	1	GEAF	
CC=C(C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(O)C[C@@H]2CCC[C@@H](C(=O)OC)[C@]21C	2356691739	VOOSWNHYYIUCGL-QAIXINNLSA-N	392.448	2.426	0	1	GEAF	
CC=C(C)C(=O)O[C@@H]1CC[C@H](C)[C@]2(C)[C@H](O)C3=C(C)C(=O)O[C@@]3(OC)C[C@@]12O	2356713237	CDXRTRKAWMYIAC-NLDDJUBTSA-N	394.464	2.012	0	1	GEAF	
CN(C)C(=O)[C@@H](CN1CCC2(CC1)OCCc1ccsc12)Cn1cccn1	84672544	JEMCPFWOAWEARU-KRWDZBQOSA-N	388.537	2.213	0	1	GEAF	
O=C(Nc1ccccc1F)N[C@H]1CC[C@H](CC(=O)N2CCCCC2)O[C@@H]1CO	95675429	QWOFJLPZBFRYTI-FHLIZLRMSA-N	393.459	2.258	0	1	GEAF	
COC(=O)[C@@H]1C[C@@]23C(=O)[C@@H]4[C@H](C)CN5C[C@@H](CCC6=C2[C@@H]1CC6)[C@]3(C)[C@H]5[C@H]4O	653794089	KRCLVPGGLIAZDT-KXIVNCKRSA-N	385.504	2.182	0	1	GEAF	
Nc1nc(O)c2nc(SCC(=O)c3ccc(Br)cc3)[nH]c2n1	584905284	NIDWVLLSHNTXJV-UHFFFAOYSA-N	380.227	2.378	0	1	GEAF	in-vitro
CCOC(=O)[C@@H]1Cc2cc(C)ncc2[C@]12N[C@H](C(=O)O)Cc1cc(F)ccc12	962897815	LJVIHFBXFMXZRY-DJPFJPOOSA-N	384.407	2.107	0	1	GEAF	
COC(CNCc1cc(Cl)c(CNCC(OC)OC)cc1Cl)OC	39391896	HQDXNSCODZDEKX-UHFFFAOYSA-N	381.300	2.410	0	1	GEAF	
COC(=O)[C@H](CCSC)NS(=O)(=O)c1ccccc1Br	13830045	CNEZKTCJYWMJJB-JTQLQIEISA-N	382.301	2.022	0	3	GEAF	
CCc1c(C(=O)C(N)=O)c2c(OCC(=O)O)cccn2c1CCc1ccccc1	13758473	GQHQYVUTXFSFSF-UHFFFAOYSA-N	394.427	2.418	0	1	GEAF	
CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)Cc3csc4ccccc34)[C@H]2SC1	26159434	IUUOAZOJSSWQCX-RHSMWYFYSA-N	388.470	2.202	0	1	GEAF	
N[C@@H](CC(=O)N1CCSC1)Cc1ccc(I)cc1	28388632	DWBPWJQJYGMUNE-GFCCVEGCSA-N	376.263	2.084	0	1	GEAF	
CC(C)(C)OC(=O)[C@@H]1N2C(=O)/C(=C\c3ccccc3)[C@H]2S(=O)(=O)C1(C)C	29252179	PFMRONLXRTUXRK-BALAJYPESA-N	377.462	2.156	0	1	GEAF	
Cc1cc(-c2ccccc2)nn1-c1ccc(=O)n(CC(=O)Nc2cccnc2)n1	36408879	DKOBEEYQFGERKP-UHFFFAOYSA-N	386.415	2.438	0	1	GEAF	
O=C(C1CC1)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(-c4ccccc4F)cc3)[C@@H]2C1	95797461	QETWDIOFYADYNM-ONTIZHBOSA-N	394.446	2.400	0	1	GEAF	
CN1CCN(c2nc3cc(C(=O)O)ccc3nc2-c2ccc(F)cc2)CC1=O	116232260	YRKNWRNDKUKMSR-UHFFFAOYSA-N	380.379	2.413	0	1	GEAF	
CNS(=O)(=O)c1ccc(CCc2nc3cc4c(cc3[nH]2)OCCCO4)cc1	586946277	ISASQJHQJCWGOH-UHFFFAOYSA-N	387.461	2.418	0	1	GEAF	
CCOC(=O)[C@@H]1CNCC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12	587789231	ANGXUXRDCCCBEB-PGQWDYDZSA-N	385.277	2.490	0	1	GEAF	
C[C@@H]1Cc2ccc(F)c(Br)c2C2(C=C(C(=O)O)OC(C(=O)O)=C2)N1	587832769	KWIBKPJOSGZCLE-SSDOTTSWSA-N	398.184	2.285	0	1	GEAF	
O=C1[C@@H]2Cc3nc[nH]c3[C@@](C3CCCC3)(C(F)(F)F)N2C(=O)[C@@H]2CCCN12	963225932	WCWCCJGBXGLZRZ-DCGLDWPTSA-N	382.386	2.115	0	1	GEAF	
COC(=O)CCCC=CC[C@@H]1C(=O)C[C@H](O)[C@@H]1C=C[C@H](O)CCC[C@H](C)O	2356330828	BDWABOZEWSSNDO-VBRUWADQSA-N	382.497	2.310	0	1	GEAF	
CC(=O)[C@@H]1[C@H](O)C[C@]2(C)[C@@H]1CC(=O)[C@]1(C)[C@@H]3C[C@H](O)[C@@H](O)C(C)(C)C3=CC[C@@H]12	2356353049	HBVLDGXDFFSABR-NVKSXWEISA-N	390.520	2.272	0	1	GEAF	
CC=C(C)C(=O)O[C@@H]1CC[C@]2(O)C[C@]3(O)OC(=O)C(C)=C3[C@H](OC)[C@]2(C)[C@@H]1C	2356643695	BRTZMHHJAMJVLW-CEFYSMENSA-N	394.464	2.012	0	1	GEAF	
CC=C1CN(O)[C@H]2C[C@H]1[C@H](C(=O)OC)[C@]13C[C@H](OC)O[C@@]21Nc1ccccc13	2356868500	XCLDTOXQHMMFCM-VCKSYPDNSA-N	386.448	2.268	0	1	GEAF	
CN1CCN(c2ncc3nc(CCc4ccccc4)c(=O)n(C4CC4)c3n2)CC1	4239019	RGVDHDHELCGXJK-UHFFFAOYSA-N	390.491	2.058	0	1	GEAF	
C[C@H]1CCC/C=C/[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@H](SCCN(C)C)CC(=O)O1	26997424	ZJXSOJSUKVKAPM-VUKXQRMFSA-N	385.570	2.460	0	1	GEAF	
Cc1cc(N)nc(C[C@H]2CNC[C@@H]2NCCNCCc2ccc(Cl)cc2)c1	40940229	HWRHGOUNQXGWCL-PXNSSMCTSA-N	387.959	2.178	0	1	GEAF	
COc1ccc(-n2c(SCC(=O)N3CCCC3)nc3nnc(C)c-3c2N)cc1	103623211	OKYCXJODJLSASQ-UHFFFAOYSA-N	398.492	2.381	0	1	GEAF	
NC(=O)[C@@H](CO)NC(=O)c1cccc(-c2ccc(Oc3ccc(F)cc3)cc2)n1	113663345	DSEREGVTTKXCDA-LJQANCHMSA-N	395.390	2.256	0	1	GEAF	
COC(=O)c1ccc2nc([C@@H](C)NC(=O)c3cc4c(C)nn(C)c4s3)[nH]c2n1	587039380	XGBHSMLRVFCKHK-SECBINFHSA-N	398.448	2.492	0	1	GEAF	
CC(C)(C)OC(=O)NC(C)(C)C(=O)Nc1cccc([C@H]2CCC(=O)NN2)c1	618015639	ZKQXCNXMSNJJBV-CQSZACIVSA-N	376.457	2.384	0	1	GEAF	
C[C@@H]1O[C@H](Oc2ccc3c(=O)c(-c4ccc(O)cc4)coc3c2)C[C@H](O)[C@@H]1O	2356828621	IJFAWAIJDFHSKQ-HYNACKTCSA-N	384.384	2.401	0	1	GEAF	
COCCCN1C(=O)[C@H](CC(=O)N2CCCC2)[C@]2(C(=O)OC)CCCCC=C12	203464330	BPBYEPPDKNHFDI-HRAATJIYSA-N	392.496	2.111	0	3	GEAF	
CCc1ccc(CNC(=O)c2cnc3sc(N(CC)CC)nn3c2=O)cc1	8604350	CQHMJELNNOUJBY-UHFFFAOYSA-N	385.493	2.490	0	1	GEAF	
CC(=O)c1ccccc1OC(=O)CCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1C=C[C@H]2[C@@H]2C[C@H]12	13153461	BTBBTBLGIFDWMW-KZVWXAQQSA-N	379.412	2.238	0	1	GEAF	
O=P(O)(O)C(O)(Cc1ccc(-c2ccc(F)cc2)cc1)P(=O)(O)O	13673802	DBRHFSLEKAVLDW-UHFFFAOYSA-N	376.213	2.037	0	1	GEAF	
COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(NC(=O)C(C)C)CC1	40952078	ORBZIQPDSZGEMG-UHFFFAOYSA-N	397.903	2.324	0	1	GEAF	
N[C@@H]1CCN2c3c(F)cc4c(=O)c(C(=O)O)cn(C5CC5)c4c3SC[C@H]12	68250929	DHTPOLDOOWIYJX-CHWSQXEVSA-N	375.425	2.185	0	1	GEAF	
COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(Cc1nccs1)CC31CN(C)C1	95793703	MWXQIBOPSYJSEJ-QGZVFWFLSA-N	398.532	2.376	0	1	GEAF	
O=C(/C=C\c1ccc(O)cc1)OCC(O)COC(=O)/C=C/c1ccc(O)cc1	95909530	KBVRKOFXCCIDFX-JTAXDKCCSA-N	384.384	2.272	0	1	GEAF	biogenic,in-vitro
COc1cc(OC)c(OC)c2c1N=C1OC[C@@H]3[C@@H]4C[C@@]12[C@@H]1C[C@H]3/C(=C/CO)CN41	96085801	SGRASRCZUGHSHN-HTEZAAIQSA-N	398.459	2.035	0	1	GEAF	
O=C1[C@@]2(CO2)[C@@H]2C[C@@H](c3ccccc3)[C@]1(CO)C=C2I	101672744	SFZSRBJFXQJCMU-UAXWRAGISA-N	382.197	2.439	0	1	GEAF	
CCOP(=O)(OCC)[C@@H]1N=C[C@H]2C(=O)N(c3ccc(OC)cc3)C(=O)[C@@H]21	221086106	RCUIZXHMVBJQPJ-ILXRZTDVSA-N	380.337	2.477	0	1	GEAF	
CN(C)c1cccc2c(S(=O)(=O)NCc3nc4ncc[nH]c-4n3)cccc12	586943245	XCGJJPMGJVWDNA-UHFFFAOYSA-N	382.449	2.002	0	1	GEAF	
CN1CCN(c2ccc3nc(CCNC(=O)Cc4ccccc4)[nH]c3c2)CC1	587228537	NPGTZRNTMWDCII-UHFFFAOYSA-N	377.492	2.216	0	1	GEAF	
C[C@H]1CN(Cc2ccccc2)C[C@H]1c1nc(=O)c2cnc(C3=CCOCC3)n2[nH]1	1772651412	KZOJNVNGLJDSCN-MAUKXSAKSA-N	391.475	2.457	0	1	GEAF	
NC(=O)c1ccccc1CNC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccno1	1911578903	ZMYOXGVUSDSOIG-KRWDZBQOSA-N	398.463	2.159	0	1	GEAF	
Cn1ccnc1CN1C[C@H]2C[C@H]1C(=O)N(Cc1cccnc1)c1ccccc1O2	2356299115	XQDSDKKCTFDGAP-MJGOQNOKSA-N	389.459	2.384	0	1	GEAF	
O=C(OC1[C@H]2C=C[C@H]1O2)c1cccc2c1C[C@@H]1Oc3cccc(O)c3[C@H](O)[C@@H]1O2	2356527827	OHAIRVQDXRWIFM-GOBLKYCHSA-N	394.379	2.053	0	1	GEAF	
C[C@H]1C[C@@]2(S(=O)(=O)c3ccccc3)ON1C[C@H]2S(=O)(=O)c1ccccc1	5812493	FKVMUDUSITZBLP-QGTPRVQTSA-N	393.486	2.039	0	1	GEAF	
O=S(=O)(NCCCCc1c[nH]cn1)NCc1ccc(Br)cc1	26838008	KPRWXVYOWPGIAP-UHFFFAOYSA-N	387.303	2.119	0	1	GEAF	
COc1ccc(CC[C@H](C)NC[C@H](O)c2ccc(O)c(C(N)=O)c2)cc1OC	27738385	POJFCGHAPYYJFT-UGSOOPFHSA-N	388.464	2.153	0	1	GEAF	
CN1C(=O)N(c2ccnn2C)C[C@H]1C(=O)NCc1ccc(Cl)cc1Cl	95565674	STABHHSHLIRQKJ-ZDUSSCGKSA-N	382.251	2.284	0	1	GEAF	
O=C(NCC[C@H]1CC[C@@H](NC(=O)C2CC2)[C@H](CO)O1)Nc1ccc(Cl)cc1	95904453	GLBDSUNETLJFTE-ZACQAIPSSA-N	395.887	2.286	0	1	GEAF	
COC(=O)c1ccnc2[nH]c(CNS(=O)(=O)/C=C\c3ccc(C)cc3)nc12	586941403	SQOMBZGTZQJESF-NTMALXAHSA-N	386.433	2.143	0	1	GEAF	
COc1cc2c3c(c1)O[C@H](c1ccc(N4CCS(=O)(=O)CC4)cc1)[C@@H](C2)C3=O	587449701	CFYSPFYLFRLFDA-LAUBAEHRSA-N	399.468	2.419	0	1	GEAF	
COc1cc2c3c(c1)O[C@]1([C@@H](C2)C3=O)[C@@H]2[C@H]3C[C@@H]4[C@@H]2C2(OCCO2)[C@H]2[C@H]4[C@@H]3[C@H]21	587452978	MSKMBHIRHOQZKV-ZOEYTBMBSA-N	378.424	2.312	0	1	GEAF	
O=C1[C@H](N2CC[C@@H](c3ccc(O)cc3)[C@@H](O)C2)CCN1Cc1ccc(F)cc1	1772603489	NIPVYFDEJFFCLH-HBMCJLEFSA-N	384.451	2.483	0	1	GEAF	
CN(Cc1ccccc1)[C@@H]1[C@H](CNCc2cccc(Cl)c2)O[C@@H](CO)[C@H]1O	2356300361	UODNZUGCUYOBIQ-UWHLTILDSA-N	390.911	2.051	0	1	GEAF	
CC(C)CN[C@@H]1C[C@H](O)[C@H](CO)[C@H]1Cc1ccnc(COc2ccccc2)n1	2356456565	JFNJURZZYRJCMV-NCYKPQTJSA-N	385.508	2.202	0	1	GEAF	
COC(=O)[C@]1(O)C[C@@]23CCCN4CC[C@]5(c6cccc(OC)c6N[C@@]15CC2)[C@H]43	2356520117	ADIZHYKMXNXYPA-MIUGBVLSSA-N	384.476	2.053	0	1	GEAF	
COc1cc([C@@H]2Oc3cc4occc(=O)c4cc3O[C@@H]2CO)cc(OC)c1O	2356578893	KIALIUIIYHDOKW-QUCCMNQESA-N	386.356	2.389	0	1	GEAF	
CCOc1ccc(NC(=O)CCS(=O)(=O)c2cccc3nonc23)cc1	3665117	OJKBDJCTCFOFEN-UHFFFAOYSA-N	375.406	2.424	0	1	GEAF	
O=C(CCc1ccccc1)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCSC1=O	13739949	FGRHKSQXRPXQEP-OALUTQOASA-N	396.512	2.495	0	1	GEAF	
CS(=O)(=O)Nc1cc2c(cc1Oc1ccc(S(C)(=O)=O)cc1)C(=O)CC2	13744810	HGISIIZYLGEQSK-UHFFFAOYSA-N	395.458	2.383	0	1	GEAF	
NCC(F)=C1CCN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1	38319109	CLRHJSKYHPZAMO-UHFFFAOYSA-N	390.390	2.351	0	1	GEAF	
COc1ccc(C(=O)N2CCN(C(=O)C(=O)c3c[nH]c4ccccc34)CC2)cc1	45317083	PTBPCXRSCJABEY-UHFFFAOYSA-N	391.427	2.344	0	1	GEAF	
COc1cc(NC(=O)N2CCN(c3nc(-c4ccccc4)ns3)CC2)ncn1	45498282	FSSQSECHPJLBSB-UHFFFAOYSA-N	397.464	2.358	0	1	GEAF	
OC[C@H]1[C@H](O)[C@H](O)CCN1CCCCCOCC12CC3CC(CC(C3)C1)C2	84604262	VIZUYNYAIYKSCL-YXFDONGBSA-N	381.557	2.178	0	1	GEAF	
CNS(=O)(=O)c1ccc(N(C)C)c(Nc2ncnc3ccc(OC)cc23)c1	117175075	FFRWTFPJRTXJRL-UHFFFAOYSA-N	387.465	2.356	0	1	GEAF	
O=c1n(CCN2CCN(c3cccc(Cl)c3)CC2)c(O)c2n1CCCC2	169714879	OGLSWAFRNKRHIN-UHFFFAOYSA-N	376.888	2.167	0	1	GEAF	
N=C(N)NCC(=O)NCC1(Cc2ccccc2)CCN(Cc2ccccc2)CC1	299821526	JTMFELXZUJXDDO-UHFFFAOYSA-N	393.535	2.111	0	1	GEAF	
C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1	586936866	AVCUFLVXDKRCLA-ZETCQYMHSA-N	391.350	2.494	0	1	GEAF	
O=C1COc2cc3[nH]c(-c4cnn5cc(Br)cnc45)nc3cc2N1	587009100	VEUPIXWVOMOKCH-UHFFFAOYSA-N	385.181	2.366	0	1	GEAF	
CCN(CC)c1ccc(-c2nn(C(=S)NN)c(=O)c3ccccc23)c(O)c1	587671430	WMHHQDOWBRJRJT-UHFFFAOYSA-N	383.477	2.212	0	1	GEAF	
CC=C(C)C(=O)O[C@H](C1=C(C)[C@H](O)OC1=O)[C@]1(C)[C@H](C)[C@H]2CC[C@H]1[C@H](OC)O2	2356528522	YEMKZDPASIYASW-VWVAAOORSA-N	394.464	2.480	0	1	GEAF	
CC1CCN(C(=O)c2ccc(CNc3c(N4CCCC4)c(=O)c3=O)cc2)CC1	4955980	MJKKNNHYPSSXKF-UHFFFAOYSA-N	381.476	2.367	0	3	GEAF	
COC(=O)C1=NN[C@@]2(c3ccc(C)cc3)C(=O)N(c3cccc(C)c3C)C(=O)[C@H]12	7044086	SQVCRPCYVJYJJI-HTAPYJJXSA-N	391.427	2.129	0	3	GEAF	
CNC(=O)[C@@H]1C[C@H]1[C@@H](NC(=O)CNC(=O)OCc1ccccc1)c1ccccc1	7992663	ZCZHFABNHGRZPP-GGPKGHCWSA-N	395.459	2.152	0	3	GEAF	
CCN(CC)C(=O)[C@@H]1CCC[C@H](NC(=O)Nc2cccnc2)CN(C)C(=O)C1	2356298856	GLJLDGZEXDEBPO-WBVHZDCISA-N	389.500	2.089	0	1	GEAF	
CCCCN1CCN(CCNC(=O)n2c(=O)n(C(C)C)c3ccccc32)CC1	22939333	BVQMWXUNVFYVPB-UHFFFAOYSA-N	387.528	2.359	0	1	GEAF	
O=C(O)CNC(=O)[C@H](Cc1ccccc1)C[C@H](COc1ccccc1)C(=O)O	27759612	CPYPLUDLRCSHAZ-IAGOWNOFSA-N	385.416	2.216	0	1	GEAF	
CN1CCN(c2ccc(S(=O)(=O)Oc3cccc([N+](=O)[O-])c3)cc2)C1=O	118395306	FPLRTPLCHSRCEC-UHFFFAOYSA-N	377.378	2.234	0	1	GEAF	
COC(=O)[C@@]12C[C@@H]3C[C@H]([C@H](C)O)[C@@H]1N(CCc1c2[nH]c2cc(OC)ccc12)C3	101354151	XGWIRMWTCWJZPG-ZHBRIVESSA-N	384.476	2.235	0	1	GEAF	
C[C@]1(C(=O)NCc2ccco2)Cc2c(-c3cccc(C(N)=O)c3)ccnc2O1	61906713	QHZHTQBTJKYJKJ-OAQYLSRUSA-N	377.400	2.451	0	3	GEAF	
COC(=O)c1ccc(NC(=O)c2ccc3[nH]c4c(c3c2)[C@H](C)CNC4=O)cn1	28902224	BOMJDFMGBLZPOK-SNVBAGLBSA-N	378.388	2.449	0	1	GEAF	
Cc1nc(-c2ccc(CN3CCN(C[C@H]4CCCO4)CC3)cc2)[nH]c(=O)c1C	23429447	XJUMLRUBGZNSJV-HXUWFJFHSA-N	382.508	2.350	0	1	GEAF	
Cc1nnsc1C(=O)N1CCC[C@@H](N2CCN(c3ccc(F)cc3)CC2)C1	61970950	DVINLIHXGUSZAB-QGZVFWFLSA-N	389.500	2.412	0	3	GEAF	
COc1ccc(CNC(=O)[C@@H]2O[C@H](CCN3CCCCC3)CC[C@H]2O)cc1	2356859328	STKRNJMBNWUIKT-XUVXKRRUSA-N	376.497	2.096	0	1	GEAF	
CN(C[C@@H]1[C@@H](c2ccccc2)[C@H](CO)N1C(=O)C1CCC1)C(=O)c1ccccn1	95895861	JVSLUPVXAKPAAQ-QHAWAJNXSA-N	393.487	2.309	0	1	GEAF	
Cc1nn(Cc2nc3ccc(S(=O)(=O)O)cc3[nH]2)c(C)c1Br	586978778	HFZROPPKFWXFNJ-UHFFFAOYSA-N	385.243	2.434	0	1	GEAF	
COc1cc(OC)c2c(c1)C(=O)N(C)C(=O)[C@]21CC(=O)c2cc(C)cc(N)c2O1	587393091	YXHNWDOEUGYUIK-NRFANRHFSA-N	396.399	2.067	0	1	GEAF	
N[C@@H](Cc1nc2c(O)nc(S)nc2[nH]1)c1ccc(Br)cc1F	587145464	ZAQOXVCJBOJQCK-QMMMGPOBSA-N	384.234	2.491	0	1	GEAF	
C[C@@H](C(=O)O[C@H](C)C(=O)c1ccccc1)N1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@@H]2C1=O)[C@@H]1C[C@H]31	169295210	PJEWTIDBYNHYEL-DGSGRNKHSA-N	393.439	2.243	0	1	GEAF	
Cc1ccc(N2CCN(C[C@@H](O)CN3CCc4ccccc4C3)C(=O)C2)cc1	209700499	YFCBHXHGYRQPBM-QFIPXVFZSA-N	379.504	2.063	0	1	GEAF	
CCNCCCNCCCNCCCN1C(=O)c2cccc3cccc(c23)C1=O	1857537877	YZOAXOOMPLHUIL-UHFFFAOYSA-N	396.535	2.395	0	1	GEAF	
O=C(NCc1ccc(CNS(=O)(=O)c2ccccc2)cc1)c1cccnc1	1857629842	SQEGYMRHGKQLJS-UHFFFAOYSA-N	381.457	2.490	0	1	GEAF	
CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc2ccccc2c1)NC(C)=O	26733221	LZQJMJZABSNDSW-PMACEKPBSA-N	381.476	2.014	0	1	GEAF	
CS(=O)(=O)N1CCC(Oc2ccc3c(c2)CCN(C2CCC2)CC3)CC1	38424577	DMLHXMGQTILWCG-UHFFFAOYSA-N	378.538	2.443	0	1	GEAF	
C/C=C/[C@@H](OC(=O)[C@H](C)N(C)C)[C@H](C)[C@H](OC(C)=O)[C@H](C)/C=C/N(C)C=O	40949711	CIEAINYOQFSIHA-RRYXYYMZSA-N	382.501	2.230	0	1	GEAF	
Cc1ccccc1-c1nc(C(=O)N(C)CC(=O)NCCCN2CCCC2)co1	82073900	BHNSTCWTSSZQNW-UHFFFAOYSA-N	384.480	2.324	0	1	GEAF	
CC(=O)N1CCN(C(=O)c2cnc(NCC3CC3)nc2-c2ccccc2F)CC1	82152141	WTKLXHIFLXYFEK-UHFFFAOYSA-N	397.454	2.409	0	1	GEAF	
Cn1cc(-c2ccc3c(c2)N(C2=N[C@@H]4CC(C)(C)NC(=O)[C@H]4S2)CCO3)cn1	95564456	JYDJBPGMWFAOJP-PBHICJAKSA-N	397.504	2.424	0	1	GEAF	
CNc1ccc(-c2cc3ncn(C)c(=O)c3c(NC3CC3)n2)cc1S(C)(=O)=O	115623965	CZNFHDXJTTWTIP-UHFFFAOYSA-N	399.476	2.015	0	1	GEAF	
CCCC[C@@H](NC(=O)c1ccc(NC(=O)N2Cc3cccnc3C2)cc1)C(N)=O	167007226	AMKJDUXXKOZAAU-QGZVFWFLSA-N	395.463	2.403	0	1	GEAF	
Cn1cc(-c2ccc3ncc4c(c3n2)n([C@H]2CC[C@H](O)CC2)c(=O)n4C)cn1	261191040	ZDEXVDRHVRCKFR-HDJSIYSDSA-N	378.436	2.160	0	1	GEAF	
COc1ccc(S(=O)(=O)N[C@@H](c2nc3cncc(Cl)c3[nH]2)[C@H](C)O)cc1	586938299	QAKROWGEIOKDNR-LKFCYVNXSA-N	396.856	2.020	0	1	GEAF	
COc1cc2c(cc1OC)C(=O)[C@@H](C(=O)OC[C@H]1CN1Cc1ccccc1)C2	1772637876	CJCRSGVCWCGTRH-LEMITICQSA-N	381.428	2.486	0	1	GEAF	
CN1CCN(c2ncc(-c3ccc4c(N=c5cncc[nH]5)ccnc4c3)cn2)CC1	1857547778	HNQZZUWCYONRSR-UHFFFAOYSA-N	398.474	2.399	0	1	GEAF	
CCO[C@@H]1C=C2[C@H](O)CN3CCCc4cc(OC)c(OC)cc4[C@]23C[C@@H]1OC	14922225	ORFUDMRKUQKEOM-HLRQEUIKSA-N	389.492	2.272	0	1	GEAF	biogenic
Cc1cc(O)c(=O)c(O)c2c1C[C@@H]([C@@](C)(O)C[S@@](=O)c1ccccc1)CC2	72108048	JRNBDAVSAUMCRT-ZDLDCBDASA-N	388.485	2.430	0	1	GEAF	
CCN(C)C(=O)c1cnc(N2CCC[C@@H](C(N)=O)C2)nc1-c1cccc(C)c1	82147569	ILMAHJCZGOBJDI-MRXNPFEDSA-N	381.480	2.246	0	1	GEAF	
COc1c(Br)ccc2oc3c(O)nc(CN4CC[C@H](O)C4)nc3c12	84653235	VHUSRVHZHNFBPK-QMMMGPOBSA-N	394.225	2.419	0	1	GEAF	
O=C1c2ccccc2C(=O)N1[C@@H]1CCCN(Cc2cccc(OCCO)c2)C1	95784685	MDJABOQDRLKTAT-QGZVFWFLSA-N	380.444	2.318	0	1	GEAF	
CNCc1cn(S(=O)(=O)c2cc(OC)ccn2)c(-c2cccnc2F)c1F	117256845	DPRWORPFTHSTIE-UHFFFAOYSA-N	394.403	2.188	0	1	GEAF	
COC1CCC2(CC1)Cc1ccc(N3CCCC3)cc1[C@@]21N=C(N)N(C)C1=O	201212161	MFAOCQYEZUHUHV-IVXJCAOYSA-N	382.508	2.400	0	1	GEAF	
COc1c(O)cc2c(c1OC)[C@]13CCN(C)[C@H](CC2)C1=C[C@@H](O)[C@@H](OC)C3	238775978	VXVBTTAGDJBDTB-WYSJICDVSA-N	375.465	2.004	0	1	GEAF	
CCN(CC)S(=O)(=O)c1ccc2nc([C@@H](O)c3cccc(O)c3)[nH]c2c1	586893203	UTGCYUXHYMCQNU-KRWDZBQOSA-N	375.450	2.381	0	1	GEAF	
CS(=O)(=O)NCCC[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	587606527	HXDNLIGYTZFLEZ-GDBMZVCRSA-N	377.418	2.052	0	1	GEAF	
COc1cccc(Cc2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)c1	587931313	NRJZXEVZDJPLCS-UHFFFAOYSA-N	387.461	2.183	0	1	GEAF	
Cc1cc2ncc3c(n2n1)CN([C@H]1CO[C@H](c2cc(F)ccc2F)[C@@H](N)C1)C3	653916415	VGTMIIDZNKQIKR-CFLQYTFWSA-N	385.418	2.489	0	1	GEAF	
O=C(Nc1ccc(F)cc1)N[C@@H]1[C@H]2CO[C@@H](O2)[C@H](n2cnc3ccccc32)[C@@H]1O	2356297194	PTLBYZBTQGUEIF-NNIGNNQHSA-N	398.394	2.023	0	1	GEAF	
CC(C)CC(=O)O[C@@H]1C[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@H]1N2C	2356331885	UOEYCNAEZZOSJM-USYVTKNRSA-N	389.492	2.499	0	1	GEAF	
NC(=O)CC[C@@H]1C(=O)C[C@H](Nc2ccccc2)c2nc3ccccc3c(=O)n21	2356788177	WLUVMRPCQHOBCZ-DLBZAZTESA-N	376.416	2.329	0	1	GEAF	
O=P(O)(O)[C@@H](N[C@H]1CCc2ccccc21)c1cccc2nc(O)c(O)nc12	13440522	IEOATOPXFRBXIK-SCLBCKFNSA-N	387.332	2.494	0	1	GEAF	
COc1ccc([C@@H]2Cc3cc(OC)ccc3N(C[C@@H]3CCCN3)C(=O)[C@@H]2O)cc1	13650821	NQVVUSDESZLVTB-RBDMOPTHSA-N	396.487	2.490	0	1	GEAF	
COC(=O)C[C@@H](c1ccc(OC)c(OC)c1)N1C(=O)c2cccc(N)c2C1=O	13757419	UHHZKWNCNDFRNB-AWEZNQCLSA-N	384.388	2.186	0	1	GEAF	
COc1cc(C2=NN(C(N)=S)[C@H](Cc3ccccc3)C2)ccc1OCC(=O)O	28713526	QSSZUQNZSAPZRX-OAHLLOKOSA-N	399.472	2.423	0	1	GEAF	
COc1ccc(S(=O)(=O)c2n[nH]c3ccc(N4CCN(C)CC4)cc23)cc1	64447745	PLSDPOYYGFTCMM-UHFFFAOYSA-N	386.477	2.156	0	1	GEAF	
COCC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2Cc1cc(F)ccc1F	95893810	PUCIFADZBZMUDH-SBHAEUEKSA-N	388.414	2.287	0	1	GEAF	
Cc1ncc([C@@H](CNC(=O)c2c(F)cccc2Cl)N2CCOCC2)cn1	207640105	KPIIXHCZPWHMGP-MRXNPFEDSA-N	378.835	2.381	0	1	GEAF	
COC[C@@H](NC(=O)Nc1cc2[nH]nc(OCCO)c2c(C)n1)c1ccccc1	209322886	CCMNRIJIKJMXML-OAHLLOKOSA-N	385.424	2.147	0	1	GEAF	
CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4cccc(S(N)(=O)=O)c4[nH]1)(C3)C2	587949772	BHUGXVAFAOETBY-NFAYLAGKSA-N	389.477	2.364	0	1	GEAF	
COC(=O)[C@]1(CO)C[C@@]23CCCN4CC[C@@]5(c6ccccc6N(C)[C@@]15CC2)[C@@H]43	2356721421	DLVUJHTUTZGNKC-VFMKGFAKSA-N	382.504	2.317	0	1	GEAF	
COCCN[C]1C=C(c2noc([C@H]3CCCN3Cc3ccccn3)n2)C=CN1	2356813654	WORFGPFHVZOKOS-QGZVFWFLSA-N	381.460	2.027	0	1	GEAF	
Cc1nc(-c2ccccc2)cc([C@@H]2CN3CC[C@H]2C[C@@H]3CNS(C)(=O)=O)n1	2356844573	NWRRGNMCMANNRJ-RCCFBDPRSA-N	386.521	2.179	0	1	GEAF	
O=C(NCCn1cccn1)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1	11760046	SOQDEYQSRSCNHJ-UHFFFAOYSA-N	382.464	2.093	0	3	GEAF	
COC(=O)C[C@]1(C(=O)OC)Oc2ccccc2C(=O)N1c1ccc(F)cc1F	12725886	RAWDCJGFCBMWPB-LJQANCHMSA-N	391.326	2.436	0	3	GEAF	
Cc1cc(OCC(=O)O)c(C)c2c1CC[C@@H]([C@H](C)C(=O)N1CCOCC1)C2	4222668	VFMGMPWZEVOXRA-GOEBONIOSA-N	375.465	2.367	0	1	GEAF	biogenic
COc1cc(C[C@@H]2O[C@@H](CC(=O)c3ccc(O)c(OC)c3)C[C@@H]2O)ccc1O	14685400	LAISPMSUAQZCQJ-XQAUZQBESA-N	388.416	2.449	0	1	GEAF	biogenic
COc1nc(CO)c(C)nc1NS(=O)(=O)c1cccc(Cl)c1Cl	38459535	FWEXASLSCXAPON-UHFFFAOYSA-N	378.237	2.394	0	1	GEAF	
COCCN(C)c1cccc(-c2cc(NC(C)=O)nc(-n3nc(C)cc3C)n2)n1	40423391	DYRFUYFXUGUOIA-UHFFFAOYSA-N	395.467	2.382	0	1	GEAF	
CC(=O)Nc1c2n(c(=O)n(Cc3ccsc3)c1=O)[C@@H](c1ccccc1)CN2	82224500	WEEQSUWQOQHHMB-OAHLLOKOSA-N	382.445	2.093	0	1	GEAF	
CN1C(=O)N(c2cncnc2)C[C@H]1C(=O)NCc1ccc(Cl)cc1Cl	95565230	DVEIJXUNEOLKDC-AWEZNQCLSA-N	380.235	2.340	0	1	GEAF	
O=C(Nc1cn(CCO)nc1-c1cccc(Cl)c1)c1cnn2cccnc12	95572284	LEWGMNBDVCHINA-UHFFFAOYSA-N	382.811	2.491	0	1	GEAF	
O=C(C[C@@H]1CC[C@H](NC(=O)CC2CC2)[C@H](CO)O1)NCc1ccc(Cl)cc1	95677587	QFAVGRCFIOJHOR-BZSNNMDCSA-N	394.899	2.171	0	1	GEAF	
C[C@@]12OCCCCO[C@@H]1C([N+](=O)[O-])=C1N(Cc3ccc(Cl)nc3)CCN12	103184626	LIWJOYWXVRGGHK-NVXWUHKLSA-N	380.832	2.224	0	1	GEAF	
CC(C)n1ncc2c1C(=O)NC1(CCN(C(=O)c3ccc4[nH]ncc4c3)CC1)C2	167306391	QWJDVEWFAZZMBP-UHFFFAOYSA-N	392.463	2.301	0	1	GEAF	
CN1CCC(CNC(=O)c2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)CC1	167563201	UDAGPVVQVHCXOT-UHFFFAOYSA-N	394.519	2.311	0	1	GEAF	
COc1ccc(-n2nc(C(N)=O)nc2-c2cc(OC)c(OC)c(OC)c2)cc1	169310554	XLKRVJLCYSWYST-UHFFFAOYSA-N	384.392	2.068	0	1	GEAF	
CNc1nc(Nc2ccc(-c3nnnn3C)cc2OC)ncc1C(F)(F)F	169704335	DTKHATWTENRFPR-UHFFFAOYSA-N	380.334	2.480	0	1	GEAF	
COc1ccc(S(=O)(=O)N[C@H](c2nc3cncc(Cl)c3[nH]2)[C@H](C)O)cc1	586938302	QAKROWGEIOKDNR-XPTSAGLGSA-N	396.856	2.020	0	1	GEAF	
C[C@H](c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1)n1cc(Cl)cn1	587082154	LZQVJSHRPVZVFF-LLVKDONJSA-N	395.872	2.043	0	1	GEAF	
Cc1cc(N)c2c(c1)C(=O)C[C@@](CNC(=O)CCC(=O)O)(c1ccccc1)O2	587385851	FJAFDKJFJVOBEQ-OAQYLSRUSA-N	382.416	2.419	0	1	GEAF	
Nc1cc(C(=O)N2CCc3nc(-c4ccccc4)nc(O)c3C2)ccc1C(=O)O	1857569614	DOORXLPCOWHXNS-UHFFFAOYSA-N	390.399	2.328	0	1	GEAF	
COC(=O)Cc1ccc(OC[C@H](O)CN2CCN(c3ccc(C)cc3)CC2)cc1	1857641214	DMFWXZVPQGEGSB-OAQYLSRUSA-N	398.503	2.272	0	1	GEAF	
NC1CN(Cc2cc(S(N)(=O)=O)ccc2Oc2ccc(F)c(Cl)c2)C1	1911576585	OZRJBPZNFPFSSJ-UHFFFAOYSA-N	385.848	2.062	0	1	GEAF	
CC(=O)[C@@H]1[C@H](O)C[C@]2(C)[C@@H]1CC(=O)[C@]1(C)[C@@H]3C[C@H](O)[C@H](O)C(C)(C)C3=CC[C@@H]12	2356353050	HBVLDGXDFFSABR-OAJSFUPISA-N	390.520	2.272	0	1	GEAF	
CCOc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@H]1C(=O)NCCOCCO	4049151	QAADAUHTXIFHSN-CTNGQTDRSA-N	398.459	2.302	0	1	GEAF	
COC(=O)C[C@]12CCCN3CC[C@]4(c5cccc(OC)c5N(C=O)[C@H]4CC1)[C@H]32	13430667	ZKGZWBWSRSLNGE-KVJIRVJXSA-N	384.476	2.489	0	1	GEAF	biogenic
COc1c2c(cc3ccoc13)C(=O)[C@@]1(O)c3cc4c(cc3OC[C@H]1O2)OCO4	14502290	DDGYXSWHWAQNRQ-FOIQADDNSA-N	382.324	2.394	0	1	GEAF	endogenous,in-man
CCOC(=O)[C@@]1(C)N[C@H](c2ccc(O)cc2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21	19529632	WDRCVSJEVWHPTC-FBAVSBLXSA-N	394.427	2.164	0	1	GEAF	
COc1cc(CN/C=C2\C(=O)NC(=O)c3ccc(Br)cc32)ccn1	40949532	NGZYDAIQUAXFCP-ZROIWOOFSA-N	388.221	2.253	0	1	GEAF	
COc1cc(CNc2nc(N3CC[C@@H](NC(C)=O)C3)ncc2C)cc(OC)c1	82212956	VWKKNGDWIYILRS-MRXNPFEDSA-N	385.468	2.129	0	1	GEAF	
COC(=O)C1=CO[C@@H](C)[C@H]2CN3CC[C@@]4(Nc5cc(OC)ccc5C4=O)[C@@H]3C[C@H]12	85975774	XBQWJIHJQVIDFT-KOZWNXOUSA-N	398.459	2.228	0	1	GEAF	
C/C=C/c1ccc([C@H]2[C@@H](CO)N(S(C)(=O)=O)[C@@H]2CN(C(C)=O)C(C)C)cc1	95667115	TZWHKPIYEZKICJ-PFRNKHFKSA-N	394.537	2.065	0	1	GEAF	
O=C(Nc1ccccc1F)N[C@@H]1CC[C@@H](CC(=O)N2CCCCC2)O[C@H]1CO	95675428	QWOFJLPZBFRYTI-QGTPRVQTSA-N	393.459	2.258	0	1	GEAF	
Cc1nc(N2CCN(C)CC2)nc(C)c1Sc1nccc(NC(=O)C2CC2)n1	103254986	GLOWMHKITNUVQI-UHFFFAOYSA-N	399.524	2.135	0	1	GEAF	
CO[C@]12C=C[C@@]3(C[C@H]1C(C)(C)O)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1C)[C@H]2O5	169347051	ZGKVSNGVCSJFTE-LRUUPZQASA-N	383.488	2.383	0	1	GEAF	
CCOC(=O)[C@]1(CC(=O)c2c(C)nn(CC)c2C)NCCc2ccc(O)cc21	963350443	BYJNOPXWBYPMMC-OAQYLSRUSA-N	385.464	2.403	0	1	GEAF	
Cc1cccc(CNC[C@@H]2COCc3nc4cc(S(C)(=O)=O)ccc4n32)n1	2356298831	FDTOZXWGZJCLTE-OAHLLOKOSA-N	386.477	2.004	0	1	GEAF	
COC(=O)[C@]1(O)C[C@@]23CCCN4CC[C@]5(c6cccc(OC)c6N[C@@]15CC2)[C@@H]43	2356520116	ADIZHYKMXNXYPA-AOIWZFSPSA-N	384.476	2.053	0	1	GEAF	
CC(=O)N[C@H](C)[C@H](O)C[C@@H](O)CCCCC[C@@H](O)CCCCCCCO	2356728412	JIMOHLIIDCNPSU-BTHPGYMESA-N	375.550	2.267	0	1	GEAF	
O=C(NC1CCCCC1)O[C@@H]1CO[C@@H]2[C@@H]1OC[C@@H]2n1cc(-c2ccccn2)nn1	2356816360	DALLJYDIRGVNDH-ZSYWTGECSA-N	399.451	2.106	0	1	GEAF	
C[C@@H]1O[C@H](Oc2ccc3c(=O)c(-c4ccc(O)cc4)coc3c2)C[C@@H](O)[C@H]1O	2356828619	IJFAWAIJDFHSKQ-ANPYHDSISA-N	384.384	2.401	0	1	GEAF	
CCOC(=O)N1CCN(C2=NS(=O)(=O)C(c3ccc(C)cc3)=C2C)CC1	20465317	KGAPLOKSAPTCME-UHFFFAOYSA-N	377.466	2.242	0	1	GEAF	
COc1cc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)c[nH]2)cc(OC)c1	20510428	HGANXDAHTXBUHC-UHFFFAOYSA-N	379.438	2.069	0	1	GEAF	
Cc1ccnc2c(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)C[C@H]3C)c[nH]c12	33922369	BUAVUZAMVLFNMY-OAHLLOKOSA-N	390.443	2.427	0	1	GEAF	
Cn1cc(-c2ccc3c(c2)N(C2=N[C@H]4CC(C)(C)NC(=O)[C@@H]4S2)CCO3)cn1	95564459	JYDJBPGMWFAOJP-WMLDXEAASA-N	397.504	2.424	0	1	GEAF	
O=C(O)[C@@H]1C[C@@H]2Cc3[nH]ncc3[C@@H](C1)N2S(=O)(=O)c1ccc(Cl)cc1	114842918	VHYBDYCQPHDKSP-XDMRBOTDSA-N	381.841	2.214	0	1	GEAF	
CN1C(=O)[C@]2(N=C1N)c1cc(-c3cccnc3F)ccc1O[C@]1(C)CCCO[C@@H]21	144267411	RYCBSDWTFORSET-UIFIKXQLSA-N	396.422	2.200	0	1	GEAF	in-vitro
Cn1cc(I)c([C@]2(C)NCCc3c(C(=O)O)cccc32)n1	963131271	NFLPLOHZBWRDGF-OAHLLOKOSA-N	397.216	2.132	0	1	GEAF	
CCOC(=O)[C@@H]1C(=O)N(C)CC[C@]12c1cccc(Br)c1CCN2C	963290490	XBSVTGKMSUTIDY-YJBOKZPZSA-N	395.297	2.174	0	1	GEAF	
CC(=O)NC[C@H]1CN(c2ccc(-c3ccc4c(c3)NC(=O)CO4)c(F)c2)C(=O)O1	1239093406	DXAOFOVFTJUZOD-AWEZNQCLSA-N	399.378	2.285	0	1	GEAF	
Nc1ncnc2c1c(-c1ccc(Cl)c(F)c1)cn2[C@@H]1O[C@H](CO)C[C@H]1O	1857534811	VBLZUWBKEARTTC-VNQQYTOKSA-N	378.791	2.114	0	1	GEAF	
CC=C1CN(C)CC[C@@]23C(=O)C[C@H]1[C@@H]1CO[C@@H](OC)C(=O)N(c4ccccc42)[C@@H]13	2356636568	MHRUSPYZNNVVHC-FSHPCMPGSA-N	396.487	2.129	0	1	GEAF	
O=C(NC[C@@H]1COc2ccccc2O1)c1ccc(NC(=O)[C@@H]2CCCO2)cc1	4079400	YGDUZEWCOWEVDK-APWZRJJASA-N	382.416	2.374	0	3	GEAF	
O=C(NCc1cccs1)[C@@H]1[C@H]2C=C[C@@]3(CN(Cc4ccccc4)C(=O)[C@H]13)O2	263590774	PFPSQZVMULVZSN-WIRSXHRWSA-N	380.469	2.347	0	3	GEAF	
C[C@@](O)(C(=O)N1CCN(C(=O)c2cccc3ccccc23)CC1)C(F)(F)F	13804058	XXIFFAZFPRMXBQ-GOSISDBHSA-N	380.366	2.438	0	1	GEAF	
COc1cc(OC)c2c(c1)C(=O)O[C@H]2c1coc(C[C@@H](C)OC(C)=O)cc1=O	14828366	DFDYHSDDWXQPEL-DGIBIBHMSA-N	388.372	2.411	0	1	GEAF	biogenic
CN1CCN(S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)no3)s2)CC1	20580929	BSCISBHITKMABB-UHFFFAOYSA-N	381.401	2.358	0	1	GEAF	
CCOCCCNC(=O)Cn1cnc2onc(-c3ccc(Cl)cc3)c2c1=O	20847719	OGXRGLAMPDFTTG-UHFFFAOYSA-N	390.827	2.248	0	1	GEAF	
CCOC(=O)C[C@@H](O)[C@@H](CC(C)C)NC(=O)[C@H](NC(=O)CC(C)C)C(C)C	40525821	FOQFTNGVLMVBTQ-GPMSIDNRSA-N	386.533	2.018	0	1	GEAF	
N=C(N)c1ccc(NC(=O)CCCCC(=O)Nc2cccc(C(=N)N)c2)cc1	49785789	HKLUCNJMWSQYAV-UHFFFAOYSA-N	380.452	2.392	0	1	GEAF	
COc1ccc(OC)c(CCNc2nc(N3CCC(C(N)=O)CC3)ncc2C)c1	82212946	AVJGGRIWUNFAFV-UHFFFAOYSA-N	399.495	2.159	0	1	GEAF	
Cc1noc(C)c1Cn1cc(N2C(=O)C(=O)N(Cc3ccccc3)C2=O)cn1	115731623	AHTLZRURDSTFOP-UHFFFAOYSA-N	379.376	2.032	0	1	GEAF	
CC(=O)OCON[N+](=O)N(C)CCOC(=O)[C@H](C)c1ccc(CC(C)C)cc1	377797797	LNKNJCRBJQYSKJ-OAHLLOKOSA-N	396.464	2.114	0	1	GEAF	
CC1=C(c2ccc3nc(-c4cccc(S(C)(=O)=O)c4)[nH]c3c2)NNC(=O)C1	586927836	XYBIHVGCIQEQTQ-UHFFFAOYSA-N	382.445	2.389	0	1	GEAF	
C[C@@H](Sc1nc(N)cc(O)n1)c1nc2ccc(CN3CCOCC3)cc2[nH]1	586962644	UFFSAZRKLUMANA-LLVKDONJSA-N	386.481	2.326	0	1	GEAF	
COc1ccc(CN2CN(CC(=O)O)c3ccc(C)cc3S2(=O)=O)cc1	653851026	ZMQRLVAMWRYRCY-UHFFFAOYSA-N	376.434	2.057	0	1	GEAF	
CN1C(=O)[C@@H]2CN(S(=O)(=O)c3ccc(F)c(Cl)c3)C[C@@H]2c2cnccc21	1772585846	BCZNEJIJVWDMPN-CHWSQXEVSA-N	395.843	2.255	0	1	GEAF	
CC=C1CN(C)CC[C@@]23C(=O)C[C@H]1[C@@H]1CO[C@@H](OC)C(=O)N(c4ccccc42)[C@H]13	2356636569	MHRUSPYZNNVVHC-IADNCQKQSA-N	396.487	2.129	0	1	GEAF	
COC(=O)[C@@H]1[C@H](O)CC[C@@H]2C[C@@H]3Cc4c([nH]c5ccc(OC)cc45)CN3C[C@@H]12	2356742297	IJSBYCUQBXKLMJ-CMSNSTSBSA-N	384.476	2.483	0	1	GEAF	
COc1ccc(C(=O)[C@@H](CC(=O)N2CCC[C@H]2C(=O)O)SC(C)=O)cc1F	27316740	KSBWXWURYXGMSM-DZGCQCFKSA-N	397.424	2.131	0	1	GEAF	
O=C1CCC[C@H]1C[C@@H](CN1CCOCC1)Sc1nnnn1-c1ccccc1	31871941	OCVJVQVHWWLVIP-RDJZCZTQSA-N	387.509	2.215	0	1	GEAF	
NC(=O)[C@H](Cc1c[nH]cn1)NCc1ccc(OCc2ccccc2F)c(F)c1	34525154	LUZWHORHJPQFDA-SFHVURJKSA-N	386.402	2.453	0	1	GEAF	
COc1cc([C@H]2O[C@H](c3ccc(O)c(OC)c3)[C@H](CO)[C@H]2CO)ccc1O	45298720	NYDZRKZVFLLTLO-UYVJDWJCSA-N	376.405	2.145	0	1	GEAF	
CCOC(=O)c1cc2c([nH]1)-c1[nH]c(=O)c(S(=O)(=O)c3ccccc3)cc1CC2	53297587	MIWGXPAPNZZUFL-UHFFFAOYSA-N	398.440	2.478	0	1	GEAF	
Cc1ccccc1-c1nc(C(=O)N[C@H](COCc2ccccc2)C(N)=O)co1	82074449	FXHBIXFFQXNQBU-QGZVFWFLSA-N	379.416	2.451	0	1	GEAF	
O=C(NC1[C@H]2CC3C[C@@H]1CC(O)(C3)C2)c1cnc(N[C@H]2CCOC2)nc1C1CC1	95579896	DFVVWZTUNUJGGE-VTNXKNBISA-N	398.507	2.224	0	1	GEAF	
COc1ccc2sc(CNc3nncc(N4CCCC[C@@H]4CO)n3)nc2c1	95584551	GIKNTHATRIHUFO-GFCCVEGCSA-N	386.481	2.453	0	1	GEAF	
O=C1CCC(c2nccnc2OC2CN(C(=O)c3nc4ccccc4[nH]3)C2)CC1	96168890	BXPWQNKYGFFFLF-UHFFFAOYSA-N	391.431	2.483	0	1	GEAF	
CCCc1nccn1[C@@H](CC(=O)OCC)[C@@H]1O[C@H]2OC(C)(C)O[C@H]2[C@@H]1OC	96903066	YMWINJDXMNADPA-RPCVNMKUSA-N	382.457	2.221	0	1	GEAF	
Cc1c(N2CCN(C)CC2)c(=O)oc2cc(O)cc(OCCN3CCCC3)c12	96914044	VNWDXXUUBXOJLL-UHFFFAOYSA-N	387.480	2.033	0	1	GEAF	
O=C(COC(=O)[C@H]1[C@H]2C[C@@H]3OC(=O)[C@@H]1[C@@H]3C2)Nc1ccc(Br)cc1	169303686	UJEBGXJCXKZLFL-HEBWXOEQSA-N	394.221	2.128	0	1	GEAF	
CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cnnc(O)c2[nH]1	586937222	LFEGJFUZQVTIIQ-GFCCVEGCSA-N	381.845	2.388	0	1	GEAF	
Oc1nc(O)c(I)c(-c2nc3cncc(Cl)c3[nH]2)n1	587181747	BKQBJCMKCXGNMM-UHFFFAOYSA-N	389.540	2.084	0	1	GEAF	
CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2ccc(S(N)(=O)=O)cc2[nH]1	587234184	XGVDLXFTXIWJHS-NWDGAFQWSA-N	380.470	2.371	0	1	GEAF	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnn([C@@]3(C)CCS(=O)(=O)C3)c1)O2	587410480	NPMHNPGNNXGZRB-AEFFLSMTSA-N	375.450	2.014	0	1	GEAF	
C[C@@H]1O[C@H](OCCCCC(=O)O)[C@H](O)C[C@H]1OC(=O)c1c[nH]c2ccccc12	2356450963	PTAMECMDMIIEJC-MYEBOKNISA-N	391.420	2.461	0	1	GEAF	
CC=C(C)C(=O)O[C@@H]1CC[C@]2(O)C[C@]3(O)OC(=O)C(C)=C3[C@H](OC)[C@]2(C)[C@H]1C	2356643696	BRTZMHHJAMJVLW-GTWVLEOYSA-N	394.464	2.012	0	1	GEAF	
COc1ccc(S(=O)(=O)N2CCN(C(=O)C[C@@H]3C[C@H]4CC[C@@H]3C4)CC2)cc1	7805259	QRMGJWYOAAEHEU-BBWFWOEESA-N	392.521	2.354	0	1	GEAF	
COc1cc(C[C@@H](CO)[C@H](CO)Cc2ccc3c(c2)OCO3)cc2c1OCO2	13480441	IUWDYVPWRWCWQD-HOTGVXAUSA-N	388.416	2.155	0	1	GEAF	biogenic
COc1cccc(C(=O)NCCN2CCN(Cc3ccccc3OC)CC2)c1	22939115	ABYRPLMGIMQPHI-UHFFFAOYSA-N	383.492	2.251	0	1	GEAF	
CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cccc3c1c2COC3	26820100	PTQQJPBFTRCKOF-QFIPXVFZSA-N	390.395	2.110	0	1	GEAF	
C[C@@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N1Cc2ccccc2[C@H]1C(=O)O	36222703	CUKQMSYVQGXHKG-CCKFTAQKSA-N	396.443	2.219	0	1	GEAF	
O=C1[C@H]2C=C(I)[C@@H](C[C@H]2OCCCCO)[C@]12CCCO2	101614809	ZCCAXLPFLIOJJV-FMVNMVDZSA-N	392.233	2.231	0	1	GEAF	
NC1=N[C@@](c2cc(NC(=O)c3cnc(Cl)cn3)ccc2F)(C(F)F)COC1	113657781	TXEZTBDCHBLADF-INIZCTEOSA-N	399.760	2.369	0	1	GEAF	
CCO[C@H]1C=C2[C@@H](O)CN3CCCc4cc(OC)c(OC)cc4[C@]23C[C@H]1OC	238738792	ORFUDMRKUQKEOM-GUGJDKNPSA-N	389.492	2.272	0	1	GEAF	
C[C@@H]1CC[C@@]2(C(=O)O)[C@H](C(=O)O)C(=O)CC[C@@H]2[C@@]12C[C@H](c1ccoc1)OC2=O	238767087	KGULGEYOIJJOQD-BYIUMGJWSA-N	390.388	2.435	0	1	GEAF	
COc1ccc2c3c1O[C@@H]1[C@H](O)C=C[C@@H]4[C@@H](C2)N([C@@H]2CCCC[C@@H]2O)CC[C@]314	253636533	ROOIUTBGPBWDFU-ZNDYBZTQSA-N	383.488	2.175	0	1	GEAF	
CON(C)C(=O)c1ccc(-c2nc([C@H]3C[C@@](C)(O)C3)n3ccnc(N)c23)cc1	261161602	QYNADZNCSSSIHC-LDTOLXSISA-N	381.436	2.240	0	1	GEAF	
CC1=C(c2ccc3nc([C@@H](C)Sc4nc(N)cc(O)n4)[nH]c3c2)NNC(=O)C1	586962127	OPPXJLAVFMCCSQ-SECBINFHSA-N	397.464	2.250	0	1	GEAF	
CC(=O)NC1(c2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)CCC(C)CC1	587234469	MZNZNLGAYSJMOQ-UHFFFAOYSA-N	378.498	2.355	0	1	GEAF	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](CCCNS(C)(=O)=O)N1	587841125	PTQJWLRSKPIDIO-CABZTGNLSA-N	379.295	2.493	0	1	GEAF	
C[C@@H]1N[C@@H](c2ccccn2)NC(=O)[C@H]1CC(=O)N[C@H](C)CCc1ccccc1	618014168	JBZLZGCJZKLIRS-JIYIMXKPSA-N	380.492	2.332	0	1	GEAF	
COc1c(-c2cc(=O)n3nc(N)c(-c4ccccn4)c3[nH]2)ccc2c1OCO2	653670653	FVXRMSLKHHWYJZ-UHFFFAOYSA-N	377.360	2.071	0	1	GEAF	
Cc1c2c(nn1C)[C@](c1ccc(C3OCCO3)s1)(C(C)C)N[C@@H](C(=O)O)C2	962706077	GZUVVTLMMIBWSV-BFUOFWGJSA-N	391.493	2.334	0	1	GEAF	
CS(=O)(=O)c1nc(-c2cccn(Cc3c(Cl)cccc3Cl)c2=O)n[nH]1	1857638473	KHLVIRFPSBNCSB-UHFFFAOYSA-N	399.259	2.392	0	1	GEAF	
NS(=O)(=O)[C@H]1CC=C(CNC(=O)CCCc2c[nH]c3ccccc23)S1	1911576963	LJTOFDUEQPPCGC-KRWDZBQOSA-N	379.507	2.242	0	1	GEAF	
CC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)N3CCC[C@H](C)C3)ccc21	4971617	JEOCKMJHBIDSIT-AWEZNQCLSA-N	378.494	2.018	0	1	GEAF	
NS(=O)(=O)c1ccc(COC(=O)c2c(F)c(F)c(F)c(F)c2F)cc1	13835324	URYKSFRFXLOXNW-UHFFFAOYSA-N	381.278	2.387	0	1	GEAF	
COc1ccc([C@H]2NN=C(c3cc(OC)c(OC)c(OC)c3)[C@@H]2O)cc1OC	28457065	DODNQFWFPSVSHU-IEBWSBKVSA-N	388.420	2.139	0	1	GEAF	
Cc1ccc(NC(=O)c2c3nc(CCC(=O)O)[nH]c(=O)c3c3n2CCC3)cc1	45302099	ZWTFVVSWGLTWNQ-UHFFFAOYSA-N	380.404	2.249	0	1	GEAF	
COC(=O)CN1CCN(Cc2cccc(Oc3ccccc3)c2)S1(=O)=O	72127563	NQCMYDJURVBTAF-UHFFFAOYSA-N	376.434	2.014	0	1	GEAF	
COCC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2Cc1cc(F)ccc1F	95893813	PUCIFADZBZMUDH-IRFCIJBXSA-N	388.414	2.287	0	1	GEAF	
COc1cccc(C[C@H]2NC(=O)N(c3cnn(Cc4c(C)noc4C)c3)C2=O)c1	115732478	OVZSNHSWQRRGEI-GOSISDBHSA-N	395.419	2.212	0	1	GEAF	
COCCN(CCOC)C(=O)c1ccc(NC(=O)N2Cc3ccncc3C2)cc1	167032427	YAGUBEAACCQBEK-UHFFFAOYSA-N	398.463	2.364	0	1	GEAF	
O=C(O)c1ccc2nc(CNS(=O)(=O)c3ccc(F)c(F)c3F)[nH]c2c1	587134020	HZHSGOMWOFIOBO-UHFFFAOYSA-N	385.323	2.157	0	1	GEAF	
Cc1nc2cccc3c2c(c1CCCN1C(=O)[C@H]2[C@H](N=CN2C)N(C)C1=O)CC3	587212063	KNEXTLTZSGVNMO-WOJBJXKFSA-N	391.475	2.137	0	1	GEAF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@@H]3[C@@H](C(=O)O)NC[C@@H]32)N1	587799490	XJLLHPIFWOALIK-UXXPXZPUSA-N	383.261	2.400	0	1	GEAF	
CCOC(=O)[C@H]1CCNC(=O)[C@]12c1ccsc1CCN2Cc1cccnc1	962999336	XOZJSJFVWLERNS-UZLBHIALSA-N	385.489	2.096	0	1	GEAF	
C[C@@H]1CCc2cc(F)cc3c(O)c(C(=O)NCc4ccc(=N)[nH]c4)c(=O)n1c23	1857568509	PYZGIOJRQUALLF-SNVBAGLBSA-N	382.395	2.091	0	1	GEAF	
O=C(Cn1nc(-c2ccccc2F)ccc1=O)NC[C@@H]1CCCN2CCCC[C@@H]12	2356750794	FOVHEDNCRWBNIY-JXFKEZNVSA-N	398.482	2.430	0	1	GEAF	
CCOC(=O)C1=Cc2c(nc3ccccn3c2=O)N(CCc2ccccc2)[C]1N	2356862634	BRNXHCLOQSPJGF-UHFFFAOYSA-N	389.435	2.152	0	1	GEAF	
O=C(c1ccc2c(=O)n(Cc3ccccc3)c(S)nc2c1)N1CCOCC1	3630011	WZIMSGKQNBWVLE-UHFFFAOYSA-N	381.457	2.206	0	1	GEAF	
CC(C)OCCCNC(=O)CN1C(=O)[C@H](c2ccccc2)Oc2cccnc21	6796304	TYXFGKQPYJECIA-IBGZPJMESA-N	383.448	2.480	0	1	GEAF	
CN(CCNS(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)s1)C1CCCCC1	6974124	LHLRUEBZDHAODX-UHFFFAOYSA-N	396.538	2.041	0	1	GEAF	
O=C(NN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@@H]2C1=O)[C@@H]1C[C@H]31)c1ccc(Br)cc1	13154729	QRWZSMGXNJSJBA-DEPYFDJDSA-N	387.233	2.147	0	1	GEAF	
O=c1c2[nH]ccc2nc(O)n1CCCN1CCN(c2ccccc2Cl)CC1	13641868	FSJZSJGMVGQEMC-UHFFFAOYSA-N	387.871	2.296	0	1	GEAF	
C[C@@H](c1ccc(-c2cn(C)c(=O)cc2F)cc1)[C@H](N)C(=O)N1CC[C@H](F)C1	14947713	LLOQVYMUNJBWBY-ODYMNIRHSA-N	375.419	2.193	0	1	GEAF	
CCOC(=O)N1CCC(Nc2ncc(C(=O)c3ccccc3OC)c(N)n2)CC1	14950235	WRHRVUMPLKRBNL-UHFFFAOYSA-N	399.451	2.331	0	1	GEAF	
O=C(CN1CCN(c2ccccc2)CC1)N[C@H]1CCN(Cc2ccccc2)C1	38386581	PXSDYIKRZZIMBY-NRFANRHFSA-N	378.520	2.199	0	1	GEAF	
Cc1c[nH]c2ncnc(N3CCN(C(=O)[C@H](N)Cc4ccc(Cl)cc4)CC3)c12	64549212	COZRJRQGTYHRBB-MRXNPFEDSA-N	398.898	2.138	0	1	GEAF	
COCC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)Nc1ccccc1F	95894007	ZQADTZAUZMFMKK-GGPKGHCWSA-N	399.422	2.180	0	1	GEAF	
C/C=C/c1ccc([C@@H]2[C@H](CO)N(C(=O)Cc3cccnc3)[C@H]2CNC(C)=O)cc1	95895787	NGLDGHULOYFZMR-LCESAQAWSA-N	393.487	2.149	0	1	GEAF	
O=c1c2cnn(-c3ccccc3)c2nc2sc(CNCc3ccco3)nn12	103218671	LWKQTAVYUHMAHE-UHFFFAOYSA-N	378.417	2.373	0	1	GEAF	
COC(=O)[C@@H](C)Nc1nc2c(-c3cc4c([nH]3)CCNC4=O)cccc2nc1C	222443136	PUOHSGKCNIZLIO-LLVKDONJSA-N	379.420	2.193	0	1	GEAF	
NS(=O)(=O)c1ccc2nc(CNC(=O)c3cccc(C(F)(F)F)c3)[nH]c2c1	587112209	QYTZDCNXKRQBGB-UHFFFAOYSA-N	398.366	2.159	0	1	GEAF	
CN1C=N[C@@H]2[C@H]1C(=O)N(CCCCc1cc3c4c(cccc4n1)CC3)C(=O)N2C	587213100	TVCIRUUINBCYGV-PMACEKPBSA-N	391.475	2.219	0	1	GEAF	
CCn1ncc([C@]2(CN3CCOCC3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C	587432115	NGNDIEFVFIEBIQ-VGOFRKELSA-N	397.475	2.195	0	1	GEAF	
CCOC(=O)[C@@]1(c2ccccn2)N[C@H](C(=O)O)Cc2c1cnc1ccccc21	963223493	AZHKALCIYRGFFZ-LAUBAEHRSA-N	377.400	2.035	0	1	GEAF	
COc1ccc(N(CC(=O)NC2CCCC2)C(=O)[C@@H]2CSC(=O)C2)cc1	1328281	OWFPKGSSTMLVQF-ZDUSSCGKSA-N	376.478	2.367	0	1	GEAF	
COc1cc(C(=O)O[C@H]2C[C@H]3C[C@@H](OC(C)=O)[C@@H](C2)N3C)cc(OC)c1OC	14590274	WJICHKNOWJBIKJ-CAOSSQGBSA-N	393.436	2.036	0	1	GEAF	biogenic
COc1cccc(CNC(=O)Cn2cc(NC(=O)COc3ccccc3)cn2)c1	15008070	VLMJLGOWEVNUDF-UHFFFAOYSA-N	394.431	2.226	0	1	GEAF	
Cc1c(S[C@@H]2CCCCN2)n(COCSc2ccncc2)c(=O)[nH]c1=O	28120718	KPVVQAMMWXUEAE-CQSZACIVSA-N	394.522	2.156	0	1	GEAF	
COc1c(C)cnc(CN2CC(=O)N(CC(C)C)c3c(C)nc(N)nc32)c1C	43081828	NYLUSRPUJTXLAN-UHFFFAOYSA-N	384.484	2.397	0	1	GEAF	
COc1cc2nc(NC[C@H](O)CO)nc(NCc3cccs3)c2cc1OC	82125099	HIDOFUKSQITLAQ-NSHDSACASA-N	390.465	2.086	0	1	GEAF	
O=C(NN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@@H]2C1=O)[C@@H]1C[C@H]31)c1ccc(Br)cc1	169354801	QRWZSMGXNJSJBA-JNWWKETESA-N	387.233	2.147	0	1	GEAF	
COc1ccc(O)c(C(=O)c2ccc(=O)n(CCNC(=O)OC(C)(C)C)c2)c1	169699095	PTKRSUKSGAWQKY-UHFFFAOYSA-N	388.420	2.318	0	1	GEAF	
COc1ccc(NC(=O)CCCN2C(=O)[C@H]3[C@@H]4C=C[C@H](C4)[C@H]3C2=O)c(OC)c1	195432001	VBIGSIOZBVFIGC-YJZQOORCSA-N	384.432	2.230	0	1	GEAF	
Cc1cn2cc(NC(=O)c3ccc(N4CCN(C)CC4)cc3F)nc2c(C)n1	223410061	YDWAWZDNPJFPGN-UHFFFAOYSA-N	382.443	2.489	0	1	GEAF	
CNS(=O)(=O)c1cc(-c2nc3c(F)cc(Br)cc3[nH]2)n(C)c1	586946722	DMDUCVHTHQGBAT-UHFFFAOYSA-N	387.234	2.378	0	1	GEAF	
CC(C)S(=O)(=O)Nc1ccc(-c2nc3c(S(N)(=O)=O)cccc3[nH]2)cc1	586951318	WMBLECHGCBOHDS-UHFFFAOYSA-N	394.478	2.027	0	1	GEAF	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C)nn([C@@H]3CCS(=O)(=O)C3)c1C)O2	587408837	DSSAWOBTLIAYLT-CXAGYDPISA-N	389.477	2.457	0	1	GEAF	
O=Cc1cnc2n1C=CC[C@]21N[C@@H](C(=O)O)Cc2cc(OC(F)(F)F)ccc21	962646706	WYRUGKOIIZKBBH-RHSMWYFYSA-N	393.321	2.311	0	1	GEAF	
Nc1c(C(=O)NCc2ccc(C(=O)NC3CC3)cc2)cnn1-c1ccccc1	1857589873	FOPATQVKLFOSJE-UHFFFAOYSA-N	375.432	2.277	0	1	GEAF	
Cc1cnn([C@@H]2[C@H]3OC[C@@H](O3)[C@H](NCc3ccc(Cl)c(Cl)c3)[C@@H]2O)c1	2356297588	WLFCRFPUULHAJH-XAJHFOFHSA-N	384.263	2.314	0	1	GEAF	
CC(C)(C)C(=O)OC[C@H]1C(=O)OC[C@@H]1C(=O)N1Cc2cc3ccccc3nc2C1	13214628	CXOSVPBPIYWQCY-JKSUJKDBSA-N	396.443	2.456	0	1	GEAF	
NC(=O)c1ccc(-c2cccc(Cn3c(=O)n(O)c(=O)c4sccc43)c2)cc1	28359434	VQEJSOSSYFEKGH-UHFFFAOYSA-N	393.424	2.276	0	1	GEAF	
CC[C@]12C=CCN3CCc4c(n(c5cc(OC)c(O)cc45)[C@](O)(C(=O)OC)C1)[C@@H]32	35241606	UWXGHIWLXTUDQM-BAGYTPMASA-N	398.459	2.443	0	1	GEAF	biogenic
COc1cccc(C(=O)NC2C[C@@H]3CC[C@@H](C2)N3c2ccc(C(N)=O)cn2)c1C	103027598	OXLJBVPQEUTXEX-IRXDYDNUSA-N	394.475	2.427	0	1	GEAF	
Nc1nc(O)c2nc(-c3cc(I)ccc3Cl)[nH]c2n1	587183164	SAPSHRSZLDWOMH-UHFFFAOYSA-N	387.568	2.566	0	1	GEAF	
COC(=O)c1ccc(S(=O)(=O)N2CCC(N3CCC(C)CC3)CC2)cc1	1857542828	BOXFEUKXHLVMDC-UHFFFAOYSA-N	380.510	2.358	0	1	GEAF	
Cc1cccc(CN2CCN([C@@H]3CN(Cc4ccccc4)S(=O)(=O)C3)CC2)c1	95599825	FKQXGOYENCPCNI-JOCHJYFZSA-N	399.560	2.327	0	3	GEAF	
CCOc1ccc2sc(NC(=O)CN3C(=O)[C@H]4[C@@H]5C=C[C@@H](C5)[C@@H]4C3=O)nc2c1	4164461	VGCFYOLNWWPMCZ-YNHQPCIGSA-N	397.456	2.441	0	1	GEAF	
CC(=O)N1CC[C@@]2(c3ccccc3N(C(C)=O)[C@@H]2c2ccc(O)cc2)[C@H]1C(=O)O	5602121	VAKSZXZIYLNMIF-SJBKTWHCSA-N	394.427	2.443	0	1	GEAF	
COC(=O)[C@@]12C(=O)CCC(=O)[C@@H]1[C@H]1C(=C[C@H]2C)O[C@@H]2OC3(CCCCC3)O[C@@H]21	5723075	WKIWXIYYKPWPBT-ZBWKQQKYSA-N	390.432	2.276	0	1	GEAF	
O=C(CO[C@@H](c1cccs1)c1cccnc1Cl)N1CCN(CCO)CC1	45167507	BVSVJPGCOJDKTK-QGZVFWFLSA-N	395.912	2.039	0	1	GEAF	
Cn1c(=O)c2c(nc(SCCCc3ccc(Cl)cc3)n2C)n(C)c1=O	95558545	IZVRELZBGYVCCR-UHFFFAOYSA-N	378.885	2.349	0	1	GEAF	
OC1(c2cccnc2)C[C@@H]2CC[C@@H](C1)N2Cc1nnnn1Cc1ccccc1	102359647	VIDSENMALPAQSX-OALUTQOASA-N	376.464	2.131	0	1	GEAF	
CC(C)(C)N(CC(N)=O)C(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1	146562557	RJUSVSNMXWHOSH-UHFFFAOYSA-N	396.438	2.052	0	1	GEAF	
COc1ccc(S(=O)(=O)Cc2nc3nc(Br)c[nH]c-3n2)cc1	586920045	DYBUMKWVVQKVTG-UHFFFAOYSA-N	383.227	2.050	0	1	GEAF	
O=C([C@H]1CCS(=O)(=O)C1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O	587660915	JUCXMBDHIWUQGR-ZDUSSCGKSA-N	386.404	2.278	0	1	GEAF	
O=c1c2cccnc2ncn1Cc1nc(C[C@H](O)c2ccc(Cl)cc2)no1	653745142	PIMAYQFCABRHBK-AWEZNQCLSA-N	383.795	2.152	0	1	GEAF	
C[C@H]1C[C@H]2CSC(=N)N[C@@]2(c2nc(NC(=O)c3cn(C)cn3)cs2)CO1	1772638952	NPGXSCFUAULWBJ-PUTJDCORSA-N	392.510	2.020	0	1	GEAF	
C[C@@H]1O[C@H](OCCCCC(=O)O)[C@@H](O)C[C@@H]1OC(=O)c1c[nH]c2ccccc12	2356450966	PTAMECMDMIIEJC-RURTYGRKSA-N	391.420	2.461	0	1	GEAF	
Cc1ccc(C(=O)N[C@@H]2CO[C@H]3[C@H]2OC[C@H]3OC(=O)NC2CCCCC2)cc1	2356857451	SIUGXYOYJVIPQF-AKHDSKFASA-N	388.464	2.319	0	1	GEAF	
COc1ccc(NC(=O)CN2C(=O)C[C@H](C)S(=O)(=O)c3ccccc32)cc1	6806584	SMFIMJWLJKDDJA-ZDUSSCGKSA-N	388.445	2.233	0	3	GEAF	
CN(C)c1ncnc2c1nc(Br)n2Cc1cccc(NC(N)=O)c1	26145983	CJHYHDVNSHFABT-UHFFFAOYSA-N	390.245	2.194	0	1	GEAF	
CC(=O)Oc1c(C)c(C)c(OC(C)=O)c2c1[C@@H](OC(C)=O)O[C@@H]2OC(C)=O	27712407	URISUIIXCQACQI-ROUUACIJSA-N	380.349	2.308	0	1	GEAF	
COC(=O)c1cccc(NC(=S)OCCN2C(=O)c3ccccc3C2=O)c1	28476715	AQEBHQIGHLNXDG-UHFFFAOYSA-N	384.413	2.483	0	1	GEAF	
CC[C@@H]1CN(C(=O)c2cccnc2)CC[C@@H]1CC(=O)N[C@H](CO)CC(C)C	36367551	MLGCDOQQOPHUAX-LMMKCTJWSA-N	375.513	2.483	0	1	GEAF	biogenic
COc1cc([C@@H]2Oc3cc(OC)c(OC)c(O)c3C(=O)[C@@H]2OC)ccc1O	40939223	FGWIIZSOSPHUBV-HKUYNNGSSA-N	376.361	2.455	0	1	GEAF	
CCCn1c(=O)c(NCc2ccc(NC(C)=O)cc2)c2n(c1=O)C[C@H](C(C)C)N2	82206175	FNJPQKBCXYKBQF-QGZVFWFLSA-N	399.495	2.441	0	1	GEAF	
CC(C)NC(=O)NC[C@@H]1[C@H](c2ccccc2)[C@H](CO)N1C(=O)c1ccccc1	95895675	UFHYJCTUNFGQLC-AABGKKOBSA-N	381.476	2.363	0	1	GEAF	
COCCCn1c(=O)n(C)c2cnc3ccc(-c4ccc(OC)nc4)nc3c21	118534258	UUFRUWBULYMKGF-UHFFFAOYSA-N	379.420	2.390	0	1	GEAF	
O=C(NCCCCNC(=O)c1cccnc1O)c1cc(-c2ccccc2)on1	473083611	BZVCZJLQADWIEF-UHFFFAOYSA-N	380.404	2.382	0	1	GEAF	
NS(=O)(=O)c1ccc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c2c1	587119358	BXLNNSDRXOYDBQ-UHFFFAOYSA-N	399.398	2.353	0	1	GEAF	
C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCC3(CC2)NC(=O)NC3=O)N1	587799822	YWONOGIGJSORFW-QIGGRQAVSA-N	396.260	2.470	0	1	GEAF	
COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@@H](C)NS(C)(=O)=O	587863404	INBYPYSQZMNYMD-SECBINFHSA-N	391.371	2.155	0	1	GEAF	
COc1cc2c(cc1OC)[C@@H](c1ccc(S(N)(=O)=O)cc1F)N(C)[C@H](C)C2	962617912	CLIDWUCDQXLZRF-NSPYISDASA-N	394.468	2.456	0	1	GEAF	
O=Cc1cnc2n1C=CC[C@@]21N[C@@H](C(=O)O)Cc2cc(OC(F)(F)F)ccc21	962646705	WYRUGKOIIZKBBH-PBHICJAKSA-N	393.321	2.311	0	1	GEAF	
CN1C=C(C(=O)O)[C@]2(c3ccc(C(=O)O)cc31)c1ccsc1CCN2C(N)=O	962703939	FXTDCKSAIJPHFS-IBGZPJMESA-N	399.428	2.045	0	1	GEAF	
CN1[C@@H]2COC[C@H]1C[C@@H](NC(=O)c1nn(-c3ccccn3)c3ccccc13)C2	1772573153	LKUTYXCTKXDZRI-PHZGNYQRSA-N	377.448	2.012	0	1	GEAF	
C[C@H]1C[C@H]2CSC(=N)N[C@]2(c2nc(NC(=O)c3ncccn3)cs2)CO1	1772604681	QYAIWFZNAKNPKY-XQJJYNOISA-N	390.494	2.077	0	1	GEAF	
O=c1c2cnn(-c3ccccc3)c2ncn1Cc1cn(-c2ccccc2F)nn1	1857772010	HIZBAUAWGUDLNW-UHFFFAOYSA-N	387.378	2.350	0	1	GEAF	
N=c1nc2[nH]c(SCc3ccccc3)nc(NC(CCO)CCO)c-2s1	1911575609	QQZGGRMSEWQSJI-UHFFFAOYSA-N	391.522	2.288	0	1	GEAF	
Cc1cc(=O)n2nc(N3CCC[C@@H](C(=O)N4CCc5ccccc54)C3)sc2n1	4110518	UIZQZJSQGGMPJK-OAHLLOKOSA-N	395.488	2.265	0	3	GEAF	
COc1ccccc1S(=O)(=O)Cc1ccc(C(=O)NCCN2CCCC2)o1	4111496	UJRHUVXOZFDRDV-UHFFFAOYSA-N	392.477	2.088	0	3	GEAF	
O=C(Cn1c(=O)c2ccccc2n2nncc12)Nc1ccc(Br)cc1	5035250	RKIJUQAZDCVYGE-UHFFFAOYSA-N	398.220	2.445	0	1	GEAF	
Cc1cc(=O)n2nc(N[C@H](C)C(=O)NCc3ccccc3Cl)sc2n1	6750763	AFBNRXSVWGMIRN-SNVBAGLBSA-N	377.857	2.230	0	1	GEAF	
O=C(NCc1cc(Br)cc2[nH]c(=O)c(=O)[nH]c12)Oc1ccccc1	27557273	PRCDIIHWVPATCV-UHFFFAOYSA-N	390.193	2.268	0	1	GEAF	
CCNc1nc(Nc2cc(C)ccn2)c2c(n1)c(C(=O)NC)nn2CCOCC	34517318	AAWGUWRHXBAOKO-UHFFFAOYSA-N	398.471	2.101	0	1	GEAF	
COc1ccc(OC)c(CCNc2nc(N3CC[C@H](NC(C)=O)C3)ncc2C)c1	82204286	RNQFHBDWJUPZPH-KRWDZBQOSA-N	399.495	2.172	0	1	GEAF	
c1nc(NCC2CC2)c2nc(N3CCNCC3)nc(NC3CCCCC3)c2n1	84619026	ZUOFFGPYGSNWFH-UHFFFAOYSA-N	382.516	2.396	0	1	GEAF	
COc1cc([C@H]2C3=C(O)CCCC3=Nc3c2c(=O)n(C)c(=O)n3C)ccc1O	104025296	GBUFOXMQZUQCOM-HNNXBMFYSA-N	383.404	2.012	0	1	GEAF	
COCCNc1nc(-c2ccc(N3CCCC3=O)cc2)cc2ncn(C)c(=O)c12	115624236	CGOXAKJQYHYRFC-UHFFFAOYSA-N	393.447	2.181	0	1	GEAF	
CC(=O)N1CCN(CCNc2cn(Cc3ccc(Cl)c(Cl)c3)nn2)CC1	209650393	TWCQOWCGRUOCNF-UHFFFAOYSA-N	397.310	2.209	0	1	GEAF	
O=S(=O)(NC[C@H]1CCCO1)c1ccc(-c2nc3cc(CO)ccc3[nH]2)cc1	586946828	QJEXJNZGVOWHCA-OAHLLOKOSA-N	387.461	2.180	0	1	GEAF	
C[C@@H](O)CNc1nc(N2CCOCC2)nc(O)c1-c1nc2ccccc2s1	1772642956	RCMQETDXZQZELZ-LLVKDONJSA-N	387.465	2.088	0	1	GEAF	
CS(=O)(=O)c1ccc(CN2CCOC[C@@H]2c2ncc(-c3ccncc3)[nH]2)cc1	2356299711	NBFDSWKEAUJJNJ-LJQANCHMSA-N	398.488	2.449	0	1	GEAF	
CC(C)C(=O)O[C@@H]1C[C@H]2C[C@@H](OC(=O)[C@H](CO)c3ccccc3)C[C@H]1N2C	2356496246	GVILSBKQFFAYSA-FVVUREQNSA-N	375.465	2.109	0	1	GEAF	
C[C@@H](CC(=O)Nc1cccc(F)c1)S(=O)(=O)c1ccc2c(c1)NC(=O)CO2	6930755	CGIQNSXQJPRURQ-NSHDSACASA-N	392.408	2.348	0	3	GEAF	
COC1=C[C@@]23CCN(C)[C@@H](CCc4cc(OC)c(OC)c(OC)c42)C3=C[C@@H]1O	14421263	OGIGDLIVQWNQJG-PONJGIIJSA-N	387.476	2.432	0	1	GEAF	biogenic
COc1c(NC(C)=O)c(OCCN2CCN(C)CC2)c(OC)c2occc12	19367485	JZCSTPTWOCVIDD-UHFFFAOYSA-N	377.441	2.035	0	1	GEAF	
CC(C)(/C=C/[C@@H](O)c1ccc(C(=N)N)cc1)C(=O)N1CCC(CC(=O)O)CC1	26183823	VPMTVMNQKVLDRC-PYUISTEWSA-N	387.480	2.300	0	1	GEAF	
COc1cc(NC(C)=O)ccc1C(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1	29213410	NXTDCJANBBONOY-LJQANCHMSA-N	397.475	2.284	0	1	GEAF	
O=C(O)C1=C(NC(=O)C2(Cc3nc(-c4ccc(O)cn4)no3)CC2)CCCC1	49089369	UNHFVKSTAUXQPS-UHFFFAOYSA-N	384.392	2.189	0	1	GEAF	
COc1ccccc1C(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)C1CC1	95894422	HWFQZCDSAFHHGJ-IRFCIJBXSA-N	392.455	2.421	0	1	GEAF	
O=C(Cc1cccnc1)N1[C@H](CO)[C@H](c2ccccc2)[C@@H]1CNCC1CCC1	95895776	SGKWCGWZPXXLRV-QZNHQXDQSA-N	379.504	2.369	0	1	GEAF	
COc1ccc(OC)c([C@@H]2C3=C(O)CCCC3=Nc3c2c(=O)n(C)c(=O)n3C)c1	100635063	FUINNTPFGPYXBQ-MRXNPFEDSA-N	397.431	2.315	0	1	GEAF	
O=C1N[C@H](C(=O)O)CCc2cn(cn2)C/C=C\COc2ccc(Cl)c1c2	169313429	ZFSWEKWDTCABOA-AIMAZDRCSA-N	375.812	2.301	0	1	GEAF	
Cc1ncc(CNc2cc(OC[C@H]3C[C@@H]3c3ccn(C)n3)nn(C)c2=O)s1	221914725	ASIFLMXCFNWBGF-OCCSQVGLSA-N	386.481	2.073	0	1	GEAF	
COc1n[nH]c2cc(NC(=O)N[C@H](c3ccccc3)C3(O)CCC3)nc(CO)c12	1772647448	KPTGMBDUEMQROX-QGZVFWFLSA-N	397.435	2.237	0	1	GEAF	
c1cc(N2CCOCC2)nc(-c2ccc3ncnc(N=c4cc[nH]cc4)c3c2)n1	1857630938	KGCOHEDOESTUMH-UHFFFAOYSA-N	385.431	2.484	0	1	GEAF	
O=C(O)c1c(OCC2CC2)ccc2c1OB(O)[C@@H](Sc1nncs1)C2	1911586841	KMEJHJKNWMYMEG-NSHDSACASA-N	378.240	2.141	0	1	GEAF	
Cc1cc(=O)oc(C)c1C(=O)NCCCN1CCN(c2ccccc2F)CC1	3040123	QKAQRWYRMXAUSY-UHFFFAOYSA-N	387.455	2.338	0	3	GEAF	
Cc1ccc(-n2c(=O)cc(N3CCN(Cc4ccccc4)CC3)[nH]c2=O)cc1	59817816	VJSLGRKWJBDITA-UHFFFAOYSA-N	376.460	2.156	0	3	GEAF	
C[C@@H]1Cn2cnc(C(=O)Nc3ccc(CNC(=O)OC(C)(C)C)cc3)c2C(=O)N1	61921843	WJWYMRAUPRDAKB-GFCCVEGCSA-N	399.451	2.292	0	3	GEAF	
Cc1nccnc1N1CCC2(CC1)c1ccccc1[C@@H](N1CCOCC1)[C@@H]2O	19145447	QVDJTXJYZYOQIK-UXHICEINSA-N	380.492	2.071	0	1	GEAF	
O=C(O)/C(=C1/OCO/C1=C(/C(=O)NCCO)c1ccccc1)c1ccccc1	85979575	QJWXHSZIFLBCKC-YWNVXTCZSA-N	381.384	2.006	0	1	GEAF	
COc1ccc(CO/C(O)=C2\C(C)=N[C@]3(O)c4ccccc4C(=O)[C@]23O)cc1	103997120	HCFNCNDSJQJXSB-LRXLKNFVSA-N	381.384	2.229	0	1	GEAF	
O=C(COc1cccc2c1CCCC2)NC[C@H](O)CN1CCc2ccccc2C1	220015366	DYDNJWNWZWCBDY-NRFANRHFSA-N	394.515	2.480	0	1	GEAF	
COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2cc(OC)c(C(=O)OC)cc2[nH]1	587231824	RGLSECXHSUYPSG-OLZOCXBDSA-N	389.452	2.395	0	1	GEAF	
CCOC(=O)c1cc(Br)c2[nH]c([C@H]3[C@H](C(=O)O)[C@@H]3C(=O)O)nc2c1	587971181	VUDFSJLVTVPSJP-OWUUHHOZSA-N	397.181	2.001	0	1	GEAF	
Cc1ccc(NS(=O)(=O)c2ccc3c(c2)NC(=O)[C@H](C)C(=O)N3)cc1F	6817228	GNJIUZSBBUFAMW-SNVBAGLBSA-N	377.397	2.462	0	1	GEAF	
O=C(NCc1ccco1)[C@@H](Cc1ccccc1)N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O	13116836	VWNCTUPXYXYUEH-PPLKHSGQSA-N	390.439	2.314	0	1	GEAF	
CCN(CC)CCNC(=O)c1cc(OC)ccc1I	13814398	WHSROPHBVONSGR-UHFFFAOYSA-N	376.238	2.371	0	1	GEAF	
CCCn1c(=O)c2c(nc(-c3ccc(C(=O)OC)cc3)n2C)n(CCC)c1=O	28242882	FBZRBFBNBXZFAK-UHFFFAOYSA-N	384.436	2.170	0	1	GEAF	
O=c1cc(N2CCNCC2)nc2sc(-c3cccc(-c4ccncc4)c3)nn12	36380748	XODIIGHHGQXHOE-UHFFFAOYSA-N	390.472	2.290	0	1	GEAF	
CCc1ccc(Cc2cc([C@@H]3OC4(COC4)[C@@H](O)[C@H](O)[C@H]3O)ccc2C)cc1	49125583	YAFAFLBOUPHQDL-CZYKHXBRSA-N	384.472	2.071	0	1	GEAF	
Cc1cc(OCCN2CCOCC2)nc2sc(C(=O)NC(C)C)c(N)c12	70454784	SXIMPXKTMOGBAP-UHFFFAOYSA-N	378.498	2.036	0	1	GEAF	
O=C(NCc1ccc(C(=O)N2CCNCC2)cc1)c1coc(-c2cccs2)n1	82081842	UAZJHENUCCFOKR-UHFFFAOYSA-N	396.472	2.379	0	1	GEAF	
COc1ccc2nccc([C@H](c3nnnn3C(C)(C)C)N3CCN(C)CC3)c2c1	84733092	BYLGZIMWJBQUKH-LJQANCHMSA-N	395.511	2.322	0	1	GEAF	
CCC(=O)N1[C@H](CO)[C@@H](c2ccccc2)C12CN(C(=O)Cc1ccccc1)C2	95794276	SBZGQFBMAWKVMC-DENIHFKCSA-N	378.472	2.207	0	1	GEAF	
COc1ccc2c3c(n(C)c2c1)[C@@H](CO)NCC31CN(C(=O)c2ccccc2)C1	95796054	QCTPHDZIKRMLIB-GOSISDBHSA-N	391.471	2.217	0	1	GEAF	
Cc1ccc(NCCc2ccccc2)c(=O)n1CC(=O)NC[C@H]1CC[C@H](N)CC1	100053161	SFAAKBBANQLWSZ-BGYRXZFFSA-N	396.535	2.445	0	1	GEAF	
N[C@H](CCC(=O)n1c(-c2cc(F)cc(F)c2)nc2ccccc2c1=O)C(=O)O	103189264	NYPRZCWENGOARE-CQSZACIVSA-N	387.342	2.174	0	1	GEAF	
O=C(Nc1ccc(C(=O)N2CCn3cncc3C2)cc1)N1Cc2ccncc2C1	167034480	RFMSDPYZLOHGDZ-UHFFFAOYSA-N	388.431	2.482	0	1	GEAF	
Cc1ncc([C@@H](CNC(=O)c2cccc(F)c2Cl)N2CCOCC2)cn1	207632409	YEVDEPIHDNCOOH-MRXNPFEDSA-N	378.835	2.381	0	1	GEAF	
COc1ccc(C2(c3ccc(OC)cc3)N=C(N)N(C[C@H]3CCCO3)C2=O)cc1	218815540	ITXKGDQZHYKUFU-LJQANCHMSA-N	395.459	2.283	0	1	GEAF	
CCn1cc([C@@]2(CN3CCOCC3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(C)n1	587433538	YVLFRLMOPBLBCQ-VGSWGCGISA-N	397.475	2.195	0	1	GEAF	
Nc1nc([C@@]2(C(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cs1	587613796	QEPMJYXNCAMYDS-SCLBCKFNSA-N	384.369	2.373	0	1	GEAF	
CO/C(O)=C1/C(C)=Nc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccccc1Cl	621471736	MZWMSERQJBWYRC-KAECEXQPSA-N	375.812	2.391	0	1	GEAF	
COC(=O)C1=CC[C@@]23CC[C@@H]([C@](C)(CCC(=O)O)OC2=O)[C@]3(OC(C)=O)CC1	2356586006	IQFROZIBHYYWNH-VVHHDAOASA-N	394.420	2.148	0	1	GEAF	
OCC(=CCc1cc2c(cc1O)OC[C@@H]1c3cc4c(cc3O[C@@H]21)OCO4)CO	2356760626	ACXGNNSXQDOXDD-VFNWGFHPSA-N	384.384	2.184	0	1	GEAF	
CC(C)c1ccccc1NC(=O)Nc1nnc([C@@H]2C[C@H](O)[C@@H](CO)O2)s1	61898027	BTGNMXSEBNLWKH-MELADBBJSA-N	378.454	2.489	0	3	GEAF	
C=C(CO)[C@@H]1Cc2c(ccc3c2O[C@H]2COc4cc(O)c(OC)cc4[C@@H]2C3=O)O1	14420778	ABUBWVZSQKAKIK-VDGAXYAQSA-N	396.395	2.373	0	1	GEAF	biogenic
C[C@@H](c1ccccc1)N1C(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)CCN2C1=O	25430434	ICDSRCNREDJUNL-MAUKXSAKSA-N	399.472	2.085	0	1	GEAF	biogenic
CC(C)C[C@H](NC(=O)c1ccc2ccccc2c1)C(=O)N[C@@H]1CCOCC1=O	29572022	FALOEHQSDCXAAH-MOPGFXCFSA-N	382.460	2.459	0	1	GEAF	
COc1cc([C@@H]2C3=C(CNC3=O)Nc3cc4c(cc32)OCO4)cc(OC)c1OC	34293743	GETMSPZIIJLCJJ-SFHVURJKSA-N	396.399	2.382	0	1	GEAF	
CCN1CCC[C@H]1CNC(=O)c1c(O)c(OC)cc(Br)c1OC	34343069	UFZPFNGITSAOBL-JTQLQIEISA-N	387.274	2.386	0	1	GEAF	
CO[C@@H]1CCC[C@@H]([C@H](C)Nc2nc(N3CCC[C@H](C(N)=O)C3)ncc2C)C1	82204038	OOFOHMVGJVOGTA-VVLHAWIVSA-N	375.517	2.492	0	1	GEAF	
COCCn1c(=O)c(NC(=O)CCC2CCCC2)c2n(c1=O)C[C@H](C(C)C)N2	82206707	ATAOKHFCTKBKRV-OAHLLOKOSA-N	392.500	2.015	0	1	GEAF	
CCc1nn(-c2ccnc(Nc3ccc(S(N)(=O)=O)cc3)n2)c2ncccc12	84730753	WETJZSVWTBNJPS-UHFFFAOYSA-N	395.448	2.164	0	1	GEAF	
CN1[C@@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@H]1[C@@H](C(=O)N1CCCCC1)[C@@H]2CO	95881303	VYIPPOWBPBOWCS-PBASOCQRSA-N	397.519	2.022	0	1	GEAF	
Cn1cnc(S(=O)(=O)N2[C@@H]3CNC[C@H]2[C@H]3c2ccc(-c3ccccc3)cc2)c1	100114096	DZSLRSBXGIMKFQ-KXTWHKPSSA-N	394.500	2.216	0	1	GEAF	
O=C(NN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C1=O)c1ccc(C(F)(F)F)cc1	100368814	CSKDFZIMJXRJGH-PMXAPFLYSA-N	376.334	2.403	0	1	GEAF	in-man
COC(=O)[C@@]1(C)N[C@H](c2ccccc2C)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21	169296906	RHVGEUXBJDKUEV-IDVKNYFZSA-N	378.428	2.377	0	1	GEAF	
CN1CCN(c2ncc(Br)c(Nc3cc(C4CC4)[nH]n3)n2)CC1	203007130	NMEJGPLXSHRYTN-UHFFFAOYSA-N	378.278	2.335	0	1	GEAF	
O=C(c1cc2c(c3ncccc13)NS(=O)(=O)c1ccccc1-2)N1CCOCC1	205629447	JXZKMEFGSBDXJC-UHFFFAOYSA-N	395.440	2.488	0	1	GEAF	
Cn1cc(NC(=O)c2ccc3ccc(=N[C@@H]4CCCC[C@@H]4N)[nH]n23)c(Cl)n1	473158263	WBCCIAXNAVMOGS-QWHCGFSZSA-N	387.875	2.077	0	1	GEAF	
CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3c(Br)cncc3[nH]2)c1	586939727	SDNQGJAOLQJZBM-UHFFFAOYSA-N	384.259	2.402	0	1	GEAF	
Cn1cc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c(=O)n(C)c1=O	586988290	OYHDJUOIRIXSEK-UHFFFAOYSA-N	385.379	2.216	0	1	GEAF	
N#CN1CC[C@H](NC(=O)c2ccc(N3CCC(c4ccncc4)CC3)nc2)C1	1857576363	DUFRQWNYGNGNMH-IBGZPJMESA-N	376.464	2.146	0	1	GEAF	
CC=C1CN2[C@H](OC)C[C@@]34C(=Nc5ccccc53)[C@H]2C[C@H]1[C@]4(CO)C(=O)OC	2356638556	JILJLVZWABVUDR-ICAIUHKLSA-N	382.460	2.189	0	1	GEAF	
CC(C)c1nccc(C[C@@H]2[C@H](NCc3ccc4c(c3)OCO4)C[C@@H](O)[C@H]2CO)n1	2356732428	HILKCFMYXRICBE-INDMIFKZSA-N	399.491	2.019	0	1	GEAF	
CCCS(=O)(=O)NC(=O)[C@@]1(C)CCCN(C(=O)c2cccc(C)c2C)C1	61905423	AKLAEALBKITQST-IBGZPJMESA-N	380.510	2.402	0	3	GEAF	
C[C@@]12C=C[C@@]3(CN(Cc4ccccc4)C(=O)[C@H]3[C@@H]1C(=O)NCc1ccco1)O2	102777805	OWGQHWVHMOBBLL-YHBROIRLSA-N	378.428	2.268	0	3	GEAF	
CCc1ccccc1-n1c(C)cn2c3c(=O)n([C@H](C)C(C)=O)c(=O)n(C)c3nc12	5144544	JJAQIMQJQZBJFK-CYBMUJFWSA-N	393.447	2.159	0	1	GEAF	
C[C@H]1CN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)CCN1O	26650620	QGLRKZDQDCLYBE-VIFPVBQESA-N	379.363	2.213	0	1	GEAF	
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN[C@H](C(F)F)C3)c(F)c21	29234076	HPXOCCUJZFFMED-NSHDSACASA-N	387.333	2.041	0	1	GEAF	
C/C=C/c1ccc([C@H]2[C@@H](CNC(=O)c3ccccn3)N(C(C)=O)[C@H]2CO)cc1	95895108	HPIOMTPDWXHGEQ-DHEAMQPCSA-N	379.460	2.220	0	1	GEAF	
CCC(=O)N1[C@H](CNC(=O)COC)[C@@H](c2ccc(-c3ccccc3)cc2)[C@@H]1CO	95895663	NZQVWEYIOJOZRO-ZRCGQRJVSA-N	396.487	2.182	0	1	GEAF	
C[C@@H](c1ccc(Br)cc1)N1C[C@]23C=C[C@@H](O2)[C@@H](C(=O)O)[C@@H]3C1=O	139735082	GOQWWHKSTWYHTI-SVGIUKCPSA-N	378.222	2.377	0	1	GEAF	
CN1CC[C@@H](c2cccc(C(=O)NC[C@H](O)CN3CCc4ccccc4C3)c2)C1	217041998	BLZWWZUJJXPUOU-PKTZIBPZSA-N	393.531	2.255	0	1	GEAF	
CCCC[C@H](N[C@@H](CC(C)C)C(=O)N[C@H](Cc1ccccc1)C(=O)O)C(=O)O	253635221	SFSPBYKWGITRFL-OKZBNKHCSA-N	392.496	2.446	0	1	GEAF	
O=C(C[C@@H]1CC=CCCC(=O)OCCNC1=O)NCc1ccc(Cl)cc1	299811453	PIGMXBSUAPIWMM-HNNXBMFYSA-N	378.856	2.362	0	1	GEAF	
Cc1ccc(-n2nccn2)c(C(=O)N2[C@H]3CC[C@H]2[C@@H](COc2cccnc2)C3)n1	473180266	BFKVCDQIAXRADW-RYRKJORJSA-N	390.447	2.438	0	1	GEAF	
COc1ccc(S(=O)(=O)N[C@@H](c2nc3c(Cl)ccnc3[nH]2)[C@@H](C)O)cc1	586937190	LAJPRJLMGFQLIF-NOZJJQNGSA-N	396.856	2.020	0	1	GEAF	
CCOC(=O)C1(C(=O)OCC)N[C@H](C)Cc2cc(Br)c(F)cc21	587793434	FCGAMZPXEASTQS-SECBINFHSA-N	388.233	2.444	0	1	GEAF	
CC(=O)OCCCC[C@H](C)[C@H](OC(=O)[C@H](C)OC(C)=O)[C@H](C)COC(C)=O	2356534474	CVXBSCIZJSRZCZ-AHXJXLJNSA-N	388.457	2.419	0	1	GEAF	
O[C@@H]1[C@@H](NCc2cccs2)[C@H]2CO[C@@H](O2)[C@@H]1n1cc(-c2ccccc2)cn1	2356579758	IXUFTSMELUWOJN-IVDHNXQLSA-N	383.473	2.427	0	1	GEAF	
COc1ccc(CN2CCC[C@@H](O)[C@@H](NC(=O)c3ccc(OC)cc3)C2)cc1	2356825538	HEAJUTKWXWOZDG-LEWJYISDSA-N	384.476	2.459	0	1	GEAF	
NCC(=O)NCC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1Cl	27864843	LEQUUFIBZLGYAJ-UHFFFAOYSA-N	380.231	2.238	0	1	GEAF	
O=C1NC(=O)[C@@H](c2cc(Cl)ccc2S(=O)(=O)Nc2ccc(F)cc2)N1	28224347	UJUJZEJMWIGCFX-CYBMUJFWSA-N	383.788	2.160	0	1	GEAF	
COc1cc(OC)nc(NC(=S)NC(=O)c2cnc(Cl)c(Cl)c2)n1	28565187	PVJVYRHCDOBYFG-UHFFFAOYSA-N	388.236	2.322	0	1	GEAF	
CC(=O)N1CCN(c2ncc(C(=O)N3CCCC3)c(-c3ccccc3F)n2)CC1	82151812	CBVAIIFBXWAQNM-UHFFFAOYSA-N	397.454	2.187	0	1	GEAF	
CC[C@@H]1Cn2c(c(NCc3ccc(NC(C)=O)cc3)c(=O)n(C(C)C)c2=O)N1	82224325	SKGBJIMYNHCZED-OAHLLOKOSA-N	385.468	2.366	0	1	GEAF	
CC(=O)N(C)C[C@@H]1Oc2c(NC(=O)NC(C)C)cccc2C(=O)N(C)C[C@H]1C	95662000	XCOQKNQHNZSMKW-DYVFJYSZSA-N	390.484	2.164	0	1	GEAF	
CC(C)N1CCN(C(=O)N2CC[C@]3(CCCN(C4CCOCC4)C3)C2)CC1	103243060	ZWHGFDXNUSGJQN-NRFANRHFSA-N	378.561	2.099	0	1	GEAF	
COC1CCC2(CC1)Oc1ccc(-c3cccnc3)cc1[C@@]21N=C(N)N(C)C1=O	201240940	LUHSRYIANQFCNY-PZPSAWLHSA-N	392.459	2.451	0	1	GEAF	
CCOc1n[nH]c(-c2nc3cc4c(cc3[nH]2)OCC(=O)N4)c1Br	586979681	HXLFOVAELVKFNO-UHFFFAOYSA-N	378.186	2.445	0	1	GEAF	
COC(=O)c1ccnc2[nH]c([C@H](C)NC(=O)c3cc4c(C)nn(C)c4s3)nc12	587039524	YHTYORSPZCHACX-VIFPVBQESA-N	398.448	2.492	0	1	GEAF	
Cc1c(I)cnn1[C@H](C)c1nc2ccc(C(N)=O)cc2[nH]1	587182907	UCELSEFTFWVOGN-MRVPVSSYSA-N	395.204	2.381	0	1	GEAF	
COc1ccc([C@]2(CS(C)(=O)=O)CC(=O)c3cc(C)cc(N)c3O2)cc1	587406412	CDBJZJVUZHJJCS-LJQANCHMSA-N	375.446	2.491	0	1	GEAF	
COc1cc2c3c(c1)O[C@]1(C(=O)N(CCC(=O)O)c4ccccc41)[C@@H](C2)C3=O	587436627	SLMGAJREORDHCV-QKKBWIMNSA-N	379.368	2.159	0	1	GEAF	
C[C@@H]1CC(=O)N([C@H](C)C(=O)N2CCN(c3ccc(C(F)(F)F)cc3)CC2)C1=O	653788944	HLGDVJHWIYCYBT-CHWSQXEVSA-N	397.397	2.138	0	1	GEAF	
COc1cccc2c3c(cnc12)CCN[C@@H]3c1ccc(F)c(S(N)(=O)=O)c1	963046833	LFORLGZPDXHJTK-GOSISDBHSA-N	387.436	2.265	0	1	GEAF	
O=C(OC1[C@H]2C=C[C@H]1O2)c1cccc2c1C[C@@H]1Oc3cccc(O)c3[C@H](O)[C@H]1O2	2356527828	OHAIRVQDXRWIFM-KFHRBPSFSA-N	394.379	2.053	0	1	GEAF	
CCOc1ccc(-c2noc(-c3csc([C@@H]4C[C@H](O)[C@@H](CO)O4)n3)n2)cc1	61905194	BAPGNWXKCRHBJI-SOUVJXGZSA-N	389.433	2.442	0	3	GEAF	
O=C(NCc1cccs1)[C@H]1[C@@H]2C(=O)N(Cc3ccccc3)C[C@@]23C=C[C@H]1O3	263590773	PFPSQZVMULVZSN-IKVWTGGYSA-N	380.469	2.347	0	3	GEAF	
Cc1ccc(C)n1-c1nnc(N2CCC[C@@H](C(=O)N3CCOCC3)C2)s1	6806131	PXYTYHZGXDXMGG-OAHLLOKOSA-N	375.498	2.021	0	1	GEAF	
CCOC(=O)N1CCN(C2=NS(=O)(=O)C(c3ccc(F)cc3)=C2C)CC1	7004933	PYQDMXNRVIUIJS-UHFFFAOYSA-N	381.429	2.073	0	1	GEAF	
O=C([C@@H](Cc1ccccc1)N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O)N1CCCCC1	13153802	IDCWDQHGUQYPDN-UJMXGEILSA-N	378.472	2.417	0	1	GEAF	
O=C(Nc1ccccc1C(=O)N[C@@H](Cc1ccccc1)C(=O)O)c1cnccn1	13589873	YVKFKYXFHWJAEF-KRWDZBQOSA-N	390.399	2.155	0	1	GEAF	
CCNC[C@H]1CCN(c2c(F)c(O)c3c(=O)c(C(=O)O)cn(CC)c3c2F)C1	13649718	PNHCXCTWESNAEJ-SNVBAGLBSA-N	395.406	2.139	0	1	GEAF	
CN(Cc1cnccn1)C(=O)c1cn(Cc2ccccc2C(F)(F)F)nn1	23505629	CLJAYBSMZFNBDN-UHFFFAOYSA-N	376.342	2.407	0	1	GEAF	
O=C(c1cccc(F)c1)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2C(=O)C1CC1	95668608	ZQONAOIAYAYYIJ-WOJBJXKFSA-N	394.446	2.417	0	1	GEAF	
COCC(=O)N(C[C@@H]1N[C@@H](CO)[C@@H]1c1ccc(-c2cccnc2)cc1)C(C)C	95895193	LCMOQOZTZIIBJI-JAXLGGSGSA-N	383.492	2.048	0	1	GEAF	
Fc1c(C2=NCc3ccnc(OC4CCOCC4)c32)ccnc1N1CCOCC1	96176000	JWOIMGVYABMDOB-UHFFFAOYSA-N	398.438	2.361	0	1	GEAF	
COc1ccc(/C=c2/s/c(=C\C(=O)c3ccc(C)cc3)[nH]c2=O)cc1OC	100491709	VFAHSGFGAFUYPA-ZZUVKVOASA-N	381.453	2.254	0	1	GEAF	
NC1=NN(c2ccccc2)C(=O)[C@H]1C(=O)C(=O)Nc1ccc(Cl)c(Cl)c1	102952896	HEMQIVNWFZHJMJ-ZDUSSCGKSA-N	391.214	2.436	0	1	GEAF	
CCCO[C@H]1C([N+](=O)[O-])=C(N(CC)Cc2ccc(Cl)nc2)N(C)[C@@]1(C)O	103185910	ZSYFDJMHUUBBIL-RDJZCZTQSA-N	384.864	2.452	0	1	GEAF	
COc1cccc([C@@H]2[C@H](C(=O)c3ccc(C)o3)C(=O)C(=O)N2CCCN(C)C)c1	110754960	SURLSKDZECACTH-RTBURBONSA-N	398.459	2.500	0	1	GEAF	
Cc1c(Br)cnc2[nH]c([C@H](CC(N)=O)NC(=O)CC(C)C)nc12	587202073	BPTUWSMJDIXOLW-JTQLQIEISA-N	382.262	2.108	0	1	GEAF	
O=C(O)CNCCNCc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1	587229109	OONWKNDSYZZDKU-UHFFFAOYSA-N	395.179	2.108	0	1	GEAF	
CCOC(=O)CCC[C@]1(CC(=O)OCC)N[C@H](C(=O)O)Cc2cccc(F)c21	962916325	CTBQGXHCHGTSAK-MGPUTAFESA-N	395.427	2.307	0	1	GEAF	
COc1ccc(CN2C(=O)CO[C@@H]3CN(Cc4ccc(C(=O)O)cc4)C[C@H]32)cc1	1204155100	SYJFGLICDHZGHQ-WOJBJXKFSA-N	396.443	2.005	0	1	GEAF	biogenic
O[C@H]1CCN(Cc2nc(C3(O)CCN(Cc4ccccc4F)CC3)cs2)C1	2356290561	WOLMWJCSQFFJIM-INIZCTEOSA-N	391.512	2.332	0	1	GEAF	
O=C1C=C[C@@H](O)[C@@H]([C@@H](O)[C@H](OC(=O)C=Cc2ccccc2)c2ccccc2)O1	2356573261	HCJURVKKVSCZRL-YCZSINBZSA-N	380.396	2.188	0	1	GEAF	
CCCCC[C@H](O)C=C[C@@H]1[C@@H](O)CC(=O)[C@@H]1CC=CCCCC(=O)NCCO	2356710020	GKKWUSPPIQURFM-JTJHWIPRSA-N	395.540	2.275	0	1	GEAF	
CC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CC[C@]2(O)CCCC[C@@H]2C1	4296113	QERMCNMDQTUPII-IMFGXOCKSA-N	394.537	2.206	0	3	GEAF	
O=C(NCCOCCO)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccoc1	4206621	KSTUOCWQRPEVTN-DOTOQJQBSA-N	378.812	2.150	0	1	GEAF	
O=C(NC[C@H]1CCCO1)C1CCN(c2ncnc3c2nc2n3CCCCC2)CC1	6936562	UAPLFJIPKIZYKG-MRXNPFEDSA-N	398.511	2.064	0	1	GEAF	
O=S(=O)(CCN1CCCCC1)N1CCc2c(nc(O)c3ccccc23)C1	13536368	LQGWGLGOLWASLX-UHFFFAOYSA-N	375.494	2.114	0	1	GEAF	
C[C@](O)(C(=O)Nc1ccc(S(=O)(=O)c2nccs2)cc1)C(F)(F)F	13760243	VLAQPMGYVZZRGM-LBPRGKRZSA-N	380.369	2.228	0	1	GEAF	
COc1cc(N)c(Cl)cc1C(=O)OCCN1CCN(c2ccncc2)CC1	13813978	VLOKQHGXTSNHQW-UHFFFAOYSA-N	390.871	2.305	0	1	GEAF	
N[C@H](Cc1ccc(F)c(F)c1)C(=O)N1CCN(c2ncnc3ccccc23)CC1	64539956	JBPUSTGKCDMWNG-GOSISDBHSA-N	397.429	2.127	0	1	GEAF	
CN1CCC(Nc2ccc3ncc(-c4cnn(-c5ncc(F)cn5)c4)n3n2)CC1	96937468	HPXZRTSROVZEOX-UHFFFAOYSA-N	393.430	2.017	0	1	GEAF	
Cc1ccc(NS(=O)(=O)CCc2ccc(Cl)cc2)c(S(N)(=O)=O)c1	144078056	MZYSHZXYUOUIBX-UHFFFAOYSA-N	388.898	2.280	0	1	GEAF	
CCC(CC)(NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1)C(=O)NCCO	206690566	OMXWZLYPDBPTNQ-UHFFFAOYSA-N	389.496	2.145	0	1	GEAF	
Cc1nc2cc(C)c3c(N)c(C(=O)N[C@@H]4Cc5cccnc5C4)sc3n2n1	1857587800	CSTDXDYOBCJEQX-GFCCVEGCSA-N	378.461	2.435	0	1	GEAF	
c1cc(N2CCOCC2)nc(Nc2ccc(OCCCN3CCOCC3)cc2)n1	1857589454	RHHGTZONFRIMMP-UHFFFAOYSA-N	399.495	2.158	0	1	GEAF	
N[C@H](O)[C@@H]1S[C@@H](N2CCOCC2)C[C@H]1OCC(F)(F)C1CCCCC1	1857641217	FRWMPIYMGIKTCB-KLHDSHLOSA-N	380.501	2.028	0	1	GEAF	
C[C@@H]1O[C@H](OCCCCC(=O)O)[C@H](O)C[C@@H]1OC(=O)c1c[nH]c2ccccc12	2356450965	PTAMECMDMIIEJC-RGZWXSTOSA-N	391.420	2.461	0	1	GEAF	
Cc1cccc(S(=O)(=O)NC(=O)[C@]2(C)CCN2C(=O)Cc2cccs2)c1	61902842	DBAKVEMCKYWOKG-SFHVURJKSA-N	392.502	2.095	0	3	GEAF	
O=C(NC1CCCCCC1)[C@H]1[C@@H]2C=C[C@@]3(CN(Cc4cccnc4)C(=O)[C@@H]13)O2	4914334	UOCISZFZWYHAPM-VWNVYAMZSA-N	381.476	2.203	0	1	GEAF	
Nc1nc(NC[C@H]2CCCN2Cc2ccco2)nc2nc(-c3ccco3)nn12	13612536	WOAGBHKYPSUWSN-GFCCVEGCSA-N	380.412	2.031	0	1	GEAF	
CO[C@]12C=C[C@@]3(C[C@@H]1N)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5	58584045	SFHODFBNMSLERZ-XSRCEQOISA-N	380.488	2.104	0	1	GEAF	
CCC(=O)N1[C@H](CO)[C@@H](c2ccc(-c3cccnc3)cc2)[C@@H]1CN(C)C(C)=O	95599653	BKBOAOSUDHSALI-VWPQPMDRSA-N	381.476	2.292	0	1	GEAF	
C/C=C/c1ccc([C@H]2[C@@H](CNC(=O)c3ccncc3)N(C(C)=O)[C@H]2CO)cc1	95895067	WPDUKSWRCNVHDG-HENKAZQNSA-N	379.460	2.220	0	1	GEAF	
Cc1cnc(C2CN([C@H](C)c3nc4c(cnn4C4CCCC4)c(=O)[nH]3)C2)nc1	116977767	ZBSAHMIVDGTYMH-CYBMUJFWSA-N	379.468	2.494	0	1	GEAF	
C[C@H]1CCC/C=C\[C@@H]2C[C@H](OC(=O)CCC(=O)O)C[C@H]2[C@H](O)/C=C\C(=O)O1	169345509	IXNGCUAZCXPKBG-QTSCEMQOSA-N	380.437	2.378	0	1	GEAF	
COc1cc2c(cc1OC)[C@]13CCN4C=C5CCO[C@@H]6CC(=O)N2[C@@H]1[C@@H]6[C@@H]5C[C@H]43	195409939	BUQWXEFUPCTDBF-LVFJIRRMSA-N	394.471	2.457	0	1	GEAF	
COC(=O)[C@@]12C[C@H]3C[C@H]([C@H](C)O)[C@@H]1N(CCc1c2[nH]c2cc(OC)ccc12)C3	238762465	XGWIRMWTCWJZPG-GIBYXBIVSA-N	384.476	2.235	0	1	GEAF	
CN(C)CCSc1ccc(C=c2nc(O)c(=Cc3ccccc3)nc2O)s1	253634477	ODQGWMYUSNRXFW-UHFFFAOYSA-N	399.541	2.261	0	1	GEAF	
CN1C[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]2[C@]12C(=O)Nc1ccccc12	299814067	UMKQHLAXKPCSDV-ZSOFBXJNSA-N	381.819	2.239	0	1	GEAF	
Oc1cc(O)nc(SCc2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)n1	586966764	MPYVTQJDSDRXDE-UHFFFAOYSA-N	378.723	2.470	0	1	GEAF	
O=C(CCN1C(=O)CSc2ccccc21)NCCCN1CCSCC1	1772583001	WPGONMMFHROSDU-UHFFFAOYSA-N	379.551	2.071	0	1	GEAF	
CN1C(=O)[C@@H]2CN(S(=O)(=O)c3ccc4ccoc4c3)C[C@@H]2c2cnccc21	1772590882	YGUPXTJIDKDPJJ-HZPDHXFCSA-N	383.429	2.209	0	1	GEAF	
CC=C1CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@H](N)C[C@H]1[C@]2(CO)C(=O)OC	2356434412	QMJONXXIALRJAC-JXOCDABTSA-N	383.492	2.142	0	1	GEAF	
CCCCCC(=O)N1CC[C@](C)(O)[C@H](NC(=O)COC)[C@H]1c1cccs1	2356550905	NIGIYQJEEFJFGW-QRVBRYPASA-N	382.526	2.484	0	1	GEAF	
O=C(NCc1ccco1)[C@@H](Cc1ccccc1)N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O	13116835	VWNCTUPXYXYUEH-LWASTNQWSA-N	390.439	2.314	0	1	GEAF	
CC1=CC(=O)N(Nc2ncc(C(=O)c3ccccc3)c(C(F)(F)F)n2)C1=O	13818187	GEVKCFZCFWBZDR-UHFFFAOYSA-N	376.294	2.368	0	1	GEAF	
COc1cc(N)c(Cl)cc1C(=O)NCCNCc1ccc(CN(C)C)o1	13825541	AZHRUDQFJNVULC-UHFFFAOYSA-N	380.876	2.105	0	1	GEAF	
COc1ccc(CNC[C@H](O)COc2cc(C)c3[nH]c(=O)ccc3c2)cc1OC	27192311	KOVDJGAKYFQOFX-KRWDZBQOSA-N	398.459	2.383	0	1	GEAF	
N=C(N)NCCC[C@@H](NC(=O)c1ccc(-c2cccc(Cl)c2)cc1)C(=O)O	28707147	KSUDJVTZGHCAMM-MRXNPFEDSA-N	388.855	2.453	0	1	GEAF	
CC(=O)Oc1c(C)c(C)c2c(c1C)CC[C@@](C)(C(=O)NCCCO[N+](=O)[O-])O2	28876807	WNOKAICEWGLUQY-IBGZPJMESA-N	394.424	2.335	0	1	GEAF	
CN(C)c1nc(C(F)(F)F)nc2c1ncn2Cc1ccc(S(C)(=O)=O)cc1	29471192	FNMASYRZGUFGQT-UHFFFAOYSA-N	399.398	2.363	0	1	GEAF	
COCCNC(=O)[C@H](C)[C@H]1CCc2c(C)cc(OCCOC)c(C)c2[C@H]1O	33773727	OIHCBIQZWLMFOZ-ZTQAJYAQSA-N	379.497	2.323	0	1	GEAF	biogenic
O=C1C[C@H](c2nc(C(=O)NCc3ccc(F)cc3)c(O)c3ncccc23)CN1	40917228	RJRJCEILQXCOQW-LBPRGKRZSA-N	380.379	2.008	0	1	GEAF	
C#CCNC(=O)C[C@@H]1c2nc(C)sc2C[C@H]2[C@]1(C)CC[C@@H](O)[C@@]2(C)CO	43553640	PTXLZDMWVNEGGU-QTAXSFQDSA-N	376.522	2.007	0	1	GEAF	biogenic
CC(=O)NCCNC(=O)c1cnc(N2CCC(C)CC2)nc1-c1ccccc1F	82153122	ZYCBUPASODAPJR-UHFFFAOYSA-N	399.470	2.385	0	1	GEAF	
C/C=C/c1ccc([C@@H]2[C@H](CO)N(C(=O)NCCC)[C@H]2CNC(=O)C2CC2)cc1	95894829	NJQPGASMIDWZCK-WXJNAFAESA-N	385.508	2.494	0	1	GEAF	
COc1ccc(Nc2nc(N3CCCCC3)ncc2-c2nc(C)nc(N)n2)cn1	113150876	RQKOZPWHBCBVFJ-UHFFFAOYSA-N	393.455	2.357	0	1	GEAF	
O=C1Cc2cc(N3CCCCC3)c(NC(=O)c3cnn4cccnc34)cc2N1	113654208	UQORHBOJOKSPBZ-UHFFFAOYSA-N	376.420	2.467	0	1	GEAF	
COC(=O)[C@@H]1C[C@@]23C4=C(CC[C@@H]5CN6C[C@@H](C)[C@H](C=C[C@@]52CO)[C@@]63O)CC[C@@H]41	169363856	KJJSHRRLRCGALL-PAAXUOJNSA-N	385.504	2.101	0	1	GEAF	
COc1ccc2c3c1O[C@H]1C(=O)[C@@H](C)C[C@@]4(O)[C@H](C2)N(CC2CCC2)CC[C@]314	194963526	HQDQOBZHPVEXBG-LZZFVXCTSA-N	383.488	2.465	0	1	GEAF	
Cc1oc(CNS(C)(=O)=O)cc1-c1nc2ccc(Br)nc2[nH]1	586943860	AQTGONCMSBVTRL-UHFFFAOYSA-N	385.243	2.338	0	1	GEAF	
O=S(=O)(NC1CC1)c1ccc(Br)c(-c2nc3ncc[nH]c-3n2)c1	586951644	SLSGURABRGWDOG-UHFFFAOYSA-N	394.254	2.175	0	1	GEAF	
Nc1nc(O)c2nc([C@@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2n1	586984441	NGTUOPAFWOUNLD-GFCCVEGCSA-N	389.257	2.588	0	1	GEAF	
Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2ccnc(O)c2[nH]1	587129074	RSCXPIFQQSDFBR-UHFFFAOYSA-N	378.314	2.087	0	1	GEAF	
CCOC(=O)CCOCCCOCCc1nc2cc(F)cc(C(=O)O)c2[nH]1	587568484	MLJUURNANIQHRD-UHFFFAOYSA-N	382.388	2.319	0	1	GEAF	
CC(C)(C)c1cc(-n2cc(C(=O)NCCNC(=N)N)nn2)cc(C(C)(C)C)c1	1772631504	XIPLZDZKEPNPHW-UHFFFAOYSA-N	385.516	2.075	0	1	GEAF	
CC1=C(c2nc(C)no2)N2C(=O)[C@@H](NC(=O)Cc3ccc(C)cc3)[C@H]2SC1	1857534944	MQBJUZLWUFNWEX-DNVCBOLYSA-N	384.461	2.060	0	1	GEAF	
C[C@@H]1[C@H]2C[C@@]3(CC(=O)O2)[C@H](C)C[C@H](O)[C@]3(O)[C@@]1(C)COC(=O)c1ccccc1	2356651740	AGQLDIHTHSYJSO-CBJHZUHASA-N	388.460	2.323	0	1	GEAF	
CCC[C@@H]1O[C@H](CC(=O)O)C=C2[C@@]3(O)CC(=O)C[C@]21C(=O)c1c(O)cccc13	2356712766	NUSPYTZPFANSTB-KHXABBDNSA-N	386.400	2.094	0	1	GEAF	
O=C(NN1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1C=C[C@H]2[C@@H]2C[C@H]12)c1ccc(Br)cc1	2344675	QRWZSMGXNJSJBA-KRXYVZHUSA-N	387.233	2.147	0	1	GEAF	
N=C(N)NCCC[C@H](CC1CCCCC1)NC(=O)[C@H](N)Cc1ccc(F)cc1	29126513	TYNNJUAZOXULKB-RTBURBONSA-N	391.535	2.414	0	1	GEAF	
CCOC(=O)N1CCC(NS(=O)(=O)c2ccc(O)c3ccccc23)CC1	35242569	OAORSCIBDHUGSH-UHFFFAOYSA-N	378.450	2.445	0	1	GEAF	
Cn1cc(C(=O)O)c(=O)c2cc(N)c(N3CCN(c4ccccc4F)CC3)cc21	101020810	PQUJQOOSNGBPII-UHFFFAOYSA-N	396.422	2.285	0	1	GEAF	
CO/C(O)=C1/C(C)=Nc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccc(Cl)cc1	102355433	ZOORQMCEHIODBJ-IGWPVBGESA-N	375.812	2.391	0	1	GEAF	
COC(=O)c1cnc(N2CCC(OC(=O)N3CCN(C(C)C)CC3)CC2)s1	207229064	YMGNLVVZIRWHGP-UHFFFAOYSA-N	396.513	2.061	0	1	GEAF	
COc1cc2[nH]c(=O)[nH]c2nc1NS(=O)(=O)c1cccc(Cl)c1Cl	299837803	LAHSJYDEGNXQHI-UHFFFAOYSA-N	389.220	2.367	0	1	GEAF	
CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2ccc(C(=N)N)cc2[nH]1	586965349	NYCKALIUOICIPY-UHFFFAOYSA-N	395.496	2.304	0	1	GEAF	
N[C@@H](N=O)c1ccc2nc(C[C@@H](NC(=O)OCc3ccccc3)C(=O)O)[nH]c2c1	587203012	MKGCBYDUBKPSFZ-WBVHZDCISA-N	397.391	2.209	0	1	GEAF	
COC(=O)CC1(CC(=O)OC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	587596158	UWULKJUYIFUBIB-KRWDZBQOSA-N	386.356	2.219	0	1	GEAF	
Cc1cc(CNc2ccc(S(=O)(=O)Nc3c(C)nn(C)c3C)cn2)no1	1772653746	UCYXWQQACMYWER-UHFFFAOYSA-N	376.442	2.141	0	1	GEAF	
CC(C)c1cc(N=c2[nH]c(N3CCC[C@H](N)C3)ncc2C(N)=O)cc(C(C)C)n1	1911575691	BWBUPDTUXQDHSX-AWEZNQCLSA-N	397.527	2.310	0	1	GEAF	
OC[C@H]1[C@H](Cc2ccnc(COc3ccccc3)n2)[C@H](NC2CCC2)C[C@H]1O	2356289465	WDOQPBBIVMYLNX-UWHLTILDSA-N	383.492	2.098	0	1	GEAF	
CCCNS(=O)(=O)c1cc(Br)cc2c1N(C(=O)C1CC1)CC2	2459289	SPHXEBOIMQHWEB-UHFFFAOYSA-N	387.299	2.437	0	1	GEAF	
CN(Cc1ccc2ccccc2n1)C[C@@H](O)COc1ccc(-c2nnn[nH]2)cc1	26965969	VDYQEJBKLWXIEX-GOSISDBHSA-N	390.447	2.287	0	1	GEAF	
O=C(C1CCC1)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2C(=O)c1ccccn1	95796402	BMHXABSJKWWWIL-WOJBJXKFSA-N	391.471	2.063	0	1	GEAF	
NC(=O)CCNc1cc(C(N)=O)nc(-c2ccc(Oc3ccc(F)cc3)cc2)n1	142559361	UMOLTWAKIBGVBV-UHFFFAOYSA-N	395.394	2.461	0	1	GEAF	
COc1ccc(S(=O)(=O)N[C@@H](c2nc3cccc(F)c3[nH]2)[C@@H](C)O)cc1	586938833	RMDLKYGCPKQZLX-MEBBXXQBSA-N	379.413	2.111	0	1	GEAF	
NS(=O)(=O)c1ccc(Nc2nccc(Nc3ccc4n[nH]cc4c3)n2)cc1	653876689	RIDVSJHDOSOYIB-UHFFFAOYSA-N	381.421	2.488	0	1	GEAF	
CC(C)(C)OC(=O)N1CC[C@H](C(=O)O)[C@@]2(C1)NCCc1nc3ccccn3c12	962981912	HIGQMUWUVCGNJH-ZUOKHONESA-N	386.452	2.017	0	1	GEAF	
CCOP(=O)(OCC)[C@@H]1N=C[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=O)[C@H]12	1857590098	RCUIZXHMVBJQPJ-KKUMJFAQSA-N	380.337	2.477	0	1	GEAF	
O=C(NC1CCOCC1)C1CCN(c2cnccc2-n2cc(Cl)cn2)CC1	1857597031	IVCCOKNXQTUZSL-UHFFFAOYSA-N	389.887	2.432	0	1	GEAF	
Cc1nc(C)c(C(=O)Nc2nc(CN3C[C@H](C)O[C@@H](C)C3)cs2)c(O)n1	1857653156	DELZOVNUDDVGQB-UWVGGRQHSA-N	377.470	2.117	0	1	GEAF	
Cc1ccc([C@]2(O)CCCN(S(=O)(=O)c3ccc4c(c3)OCO4)C2)cc1	1857771897	YPJCBTYNXHDPME-IBGZPJMESA-N	375.446	2.396	0	1	GEAF	
CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](NC(=O)c2cccnc2)CC[C@H]3[C@H]1C5	3810302	FRBIHCJATSYNBN-NXASZBTQSA-N	391.471	2.255	0	1	GEAF	
CC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2ccc(NC(=O)Nc2cccc(C#N)c2)c1=O	25411187	RTYYWGHSWYPTKR-CVEARBPZSA-N	391.431	2.330	0	1	GEAF	biogenic
CCCCC(=O)NN1N[C@@H](c2ccc(N)cc2)c2cc3c(cc2CC1=O)OCO3	27523429	LSMSLRZPQACVGQ-NRFANRHFSA-N	396.447	2.198	0	1	GEAF	
Nc1ccc2nc(N3CCN(C(=O)Nc4ccccc4C(=O)O)CC3)cnc2c1	28969677	BORJQNRTQNIWGQ-UHFFFAOYSA-N	392.419	2.264	0	1	GEAF	
C[C@H](CO)Nc1nc(SCc2cccc(F)c2F)nc2nc(N)cnc12	29128658	BJILNBJSTFTMIK-MRVPVSSYSA-N	378.408	2.365	0	1	GEAF	
Cc1nc(N2CCN(C)CC2)c2nc(-c3ccccc3Cl)n(CCO)c2n1	84712954	CCRVSKVUOZLTMX-UHFFFAOYSA-N	386.887	2.199	0	1	GEAF	
CO[C@@H]1O[C@H](O)[C@@]23[C@H](CCC(C)(C)[C@@H]12)OC(=O)[C@@]12C[C@@H](CC[C@H]13)[C@@H](C)C2=O	95912374	OVJNATNESHNAMK-ZEFKUYDFSA-N	378.465	2.277	0	1	GEAF	biogenic,in-vitro
O=C(CCc1ccccc1)N[C@H]1CC[C@](O)(c2cnc3[nH]c(=O)oc3c2)CC1	100071206	SKJPTQRULJBLIZ-OQIWPSSASA-N	381.432	2.395	0	1	GEAF	
COc1cccc(C(=O)NC2C[C@H]3CC[C@H](C2)N3c2ccc(C(N)=O)cn2)c1C	103027600	OXLJBVPQEUTXEX-IAGOWNOFSA-N	394.475	2.427	0	1	GEAF	
O=C(NC1CCOCC1)c1cnn2ccc(NC3Cc4ccccc4C3)nc12	113747728	OXTIPRCZMLWKFL-UHFFFAOYSA-N	377.448	2.217	0	1	GEAF	
CCN1C(NCCCCO)=N[C@H](CCc2ccccc2)[C@@H](C(=O)OC)[C@H]1C	195454273	ZWJWBCMKHNNTFV-QRQLOZEOSA-N	375.513	2.219	0	1	GEAF	
Cn1c(NC(C)(C)C)nc2c(-c3cc4c([nH]3)[C@@H](CCO)NC4=O)cccc2c1=O	222413933	ATAYWLYXDVOCIF-CQSZACIVSA-N	395.463	2.306	0	1	GEAF	
COc1ccc(S(=O)(=O)N[C@H](c2nc3c(Cl)ccnc3[nH]2)[C@@H](C)O)cc1	586937196	LAJPRJLMGFQLIF-RNCFNFMXSA-N	396.856	2.020	0	1	GEAF	
Nc1nc(O)c2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c2n1	586999370	YMJHRWWFUBWRNW-UPHRSURJSA-N	376.170	2.302	0	1	GEAF	
Cc1c(O)ccc2c1[C@@](C)(c1ccc3c(c1)NC(=O)[C@H](C)O3)N[C@H](C(=O)O)C2	963523507	IGKIJLUSVDUXPS-DQLGPHAMSA-N	382.416	2.282	0	1	GEAF	
Cc1ccnc([C@@H]2CCN(C(=O)OC3[C@H]4CC5C[C@H]3CC(C(N)=O)(C5)C4)C2)n1	1772646716	ZKMLSDHXGKDJIN-QMXLMGCESA-N	384.480	2.391	0	1	GEAF	
COc1ccc(OC2CCN(c3nc4nc(O)nc(O)c4cc3C)CC2)cn1	1857764128	VOJFYTFIOUYKMO-UHFFFAOYSA-N	383.408	2.196	0	1	GEAF	
COc1ccc2c(c1)N(C(C)=O)[C@@H]1[C@@H]3[C@@H](OC)OC=C4CN5CC[C@]21[C@H]5C[C@H]43	2356680485	KISKJMKSADKAMN-KCRXAXGKSA-N	382.460	2.279	0	1	GEAF	
CCCS(=O)(=O)NC(=O)[C@]1(C)CCCN(C(=O)c2cccc(Cl)c2)C1	61929932	QHGXYXGCIADYCJ-QGZVFWFLSA-N	386.901	2.438	0	3	GEAF	
Cc1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@@]4(CN(Cc5cccnc5)C(=O)[C@H]24)O3)cc1F	107369438	MHLHARLAZLJYDT-IWQHBPENSA-N	393.418	2.450	0	3	GEAF	
C[C@@H]1CN(S(=O)(=O)c2c[nH]c3ncccc23)CCN1C(=O)c1ccccc1	28826942	QGODFPZTUSIJQW-CQSZACIVSA-N	384.461	2.098	0	1	GEAF	
CCn1c(NC(=O)c2ccc3nc4n(c3c2)CCCNC4=O)nc2cccnc21	148449686	IBUYZUJUVMHXAU-UHFFFAOYSA-N	389.419	2.187	0	1	GEAF	
Cn1cc(-c2nc3c(N[C@H]4[C@@H](C(N)=O)[C@@H]5C=C[C@H]4C5)c(Cl)cnc3[nH]2)cn1	169329258	DFQHSZGCUSWOHR-FIDNZITISA-N	383.843	2.100	0	1	GEAF	
c1cc(OCCN2CCNCC2)cc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1	197931462	OGYUWGBIYSLFQY-UHFFFAOYSA-N	389.463	2.299	0	1	GEAF	
CCOC(=O)[C@H]1[C@H](C(=O)OCC)C12C(=O)Nc1ccc(Br)cc12	473153962	DLRWOUPRUHTKKD-VXGBXAGGSA-N	382.210	2.011	0	1	GEAF	
O=S(=O)(NC[C@H]1CCCO1)c1ccc(-c2nc3nc(Cl)ncc3[nH]2)cc1	586946883	RAFSVXHGEGHXPA-LLVKDONJSA-N	393.856	2.131	0	1	GEAF	
C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc3c(cc2[nH]1)OC(F)(F)O3	586959952	UHFOZMUVWNBEEA-HNNXBMFYSA-N	397.359	2.353	0	1	GEAF	
COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2ccc(C(=O)OC)c(OC)c2[nH]1	587231189	MMGYDEPPFRBDPX-CHWSQXEVSA-N	389.452	2.395	0	1	GEAF	
CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@]12c1c(N)ccc3c1CCN2C3	962952508	HQEVIPSKKJXQTF-BTYIYWSLSA-N	387.480	2.266	0	1	GEAF	
CCn1c2c(c(O)nc1=O)[C@@H](c1ccc(C(F)(F)F)cc1)C1=C(COC1=O)N2	1772631876	GSQMKFKPHLJZSN-NSHDSACASA-N	393.321	2.356	0	1	GEAF	
CCCCO[C@H]1C[C@@H](C(=O)N[C@H](CO)CC(C)C)N(C(=O)c2ccco2)C1	4545971	ZXIGQFVDVIECRX-ULQDDVLXSA-N	380.485	2.203	0	1	GEAF	
Cc1ccc(-c2nc(CS(=O)(=O)CC(=O)NC[C@H]3CCCO3)c(C)o2)cc1	5058375	UADMQGDKEPPDAA-MRXNPFEDSA-N	392.477	2.168	0	1	GEAF	
CC(C)NC(=O)N[C@@H]1CCN2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@@H]2C1	6563950	DIQZKRIYDHVMMM-YGRLFVJLSA-N	382.823	2.486	0	1	GEAF	biogenic
COC(=O)[C@@]1(C)N[C@@H](c2cccc(C)c2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21	12496998	HURDXSBWLXXHCS-SUWCGCSTSA-N	378.428	2.377	0	1	GEAF	
CC1(C)CCN(NC(=O)[C@@H](CCC(=O)O)NC(=O)c2cccc(Cl)c2)CC1	27211685	FFEZLWBVUNSGJQ-OAHLLOKOSA-N	395.887	2.456	0	1	GEAF	
CC(=O)N1[C@H](CO)[C@H](c2ccccc2)C12CN(C(=O)Nc1ccccc1F)C2	95794564	ZJGXAGIMFGTWDO-MOPGFXCFSA-N	383.423	2.419	0	1	GEAF	
CCC(=O)N1[C@H](CO)[C@@H]2c3ccccc3N(C(=O)c3cccc(OC)c3)C[C@@H]21	95893729	ZJRRQMKFLFNQOL-QKNQBKEWSA-N	380.444	2.421	0	1	GEAF	
O=C(O)c1cn(C2CC2)c2cc(-n3cc(CNC4CC4)nn3)c(F)cc2c1=O	98085460	HIAVSOCUXQRDJL-UHFFFAOYSA-N	383.383	2.006	0	1	GEAF	
Cn1cnc2cc(-c3ccc(C4CCNCC4)cc3)nc(NCCCO)c2c1=O	115626066	SUOWPWSRJWGDKS-UHFFFAOYSA-N	393.491	2.257	0	1	GEAF	
O=C1CC[C@]2(O)[C@@H]3Cc4ccc(O)c5c4[C@]2(CCN3CCc2ccccc2)[C@@H]1O5	224407686	NDHIGBQXQCVRAU-QVGHQYEOSA-N	391.467	2.358	0	1	GEAF	
Cc1ccc(C(=O)N2[C@H]3CC[C@H]2[C@@H](COc2ccccn2)C3)c(-n2ccnn2)n1	473162466	CJOIQEWZMFDNFP-RYRKJORJSA-N	390.447	2.438	0	1	GEAF	
N=C(N)NCCCC[C@H]1NCCc2c1n(O)c1cc(Br)ccc21	653887640	ZRUIDVXVEXXEOP-CYBMUJFWSA-N	380.290	2.481	0	1	GEAF	biogenic
CN(c1ncnc2[nH]ccc12)[C@H]1C[C@@H](NS(=O)(=O)c2ccc(F)cc2)C1	1772658031	OHVBNWWHXLNGRJ-BETUJISGSA-N	375.429	2.043	0	1	GEAF	
N=C(N)c1ccc(C[C@H]2OB(O)c3ccc(F)cc32)cc1OCc1cccnc1	1857549355	PMNZGHNHIJFIAX-HXUWFJFHSA-N	391.211	2.085	0	1	GEAF	
Cc1ccc(S(=O)(=O)NC[C@@H]2C[C@H]3CCN2C[C@H]3CN2CCCCC2)cc1	2356298739	YHDOCKCHGWOQHE-AQNXPRMDSA-N	391.581	2.470	0	1	GEAF	
C[C@@H]1C[C@@]23C[C@H]1CC[C@@H]2[C@]1(C(=O)O)CC[C@H](O)[C@](C)(C(=O)O)[C@H]1[C@H]3C(=O)O	2356663368	CQDCLVASIPBLIZ-SUWUFMBJSA-N	380.437	2.076	0	1	GEAF	
CC(=O)N1CC[C@]2(c3ccccc3N(C(C)=O)[C@@H]2c2ccc(O)cc2)[C@@H]1C(=O)O	5602114	VAKSZXZIYLNMIF-RZUBCFFCSA-N	394.427	2.443	0	1	GEAF	
N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1)Cc1ccc(Cl)cc1	28820803	GYQQPDHZRXBWHP-GFCCVEGCSA-N	387.793	2.253	0	1	GEAF	
C[C@H]1C[C@@H](C)CN1C[C@@H](O)CNS(=O)(=O)c1cc(Cl)sc1Cl	28892176	MPFZBFNQYBYBCS-UTLUCORTSA-N	387.354	2.424	0	1	GEAF	
CCCCN1C(=O)C(=O)c2cc(S(=O)(=O)N3CCC[C@H]3COCC)ccc21	95604446	LRIRHRYRLCJRQA-AWEZNQCLSA-N	394.493	2.206	0	1	GEAF	
C[C@H](Nc1cc(-c2ccc(Oc3ccc(F)cc3)cc2)nc(C(N)=O)n1)C(N)=O	142354398	ZRKXLJSVEWFIPT-NSHDSACASA-N	395.394	2.460	0	1	GEAF	
Cc1c(/C=C/C(=O)NCCCN2CCN(C)CC2)c(O)c2ccccc2c1O	169716688	QGSQBXJHIXNTMI-CMDGGOBGSA-N	383.492	2.326	0	1	GEAF	
O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2nc([C@@H](O)[C@@H](O)CO)[nH]c12	586889339	KPTKLIGCPLBLRS-ZFWWWQNUSA-N	395.337	2.221	0	1	GEAF	
COCCN1C(=O)c2cc(-c3nc(Nc4ccnn4C)ncc3C)cn2C[C@H]1C	1772575087	MLMCYOUMLZXVEE-CQSZACIVSA-N	395.467	2.221	0	1	GEAF	
C[C@]12CC[C@@H](O)[C@](C)(CO)[C@H]1CC[C@H](O)[C@H]2CC(=O)NCc1ccc(F)cc1	2356644817	USQJMVUJYMEINF-UQXDBHSJSA-N	393.499	2.379	0	1	GEAF	
COc1cc2c(cc1OS(N)(=O)=O)CC[C@@H]1[C@H]2CC[C@]2(C)[C@H](O)CC[C@H]12	14952521	RWIXFHUXVURZCZ-SIKVJHAASA-N	381.494	2.495	0	1	GEAF	
NC(=O)[C@@H]1CCCN(c2ncc(C(=O)NCC3CC3)c(-c3ccc(F)cc3)n2)C1	82139838	VNHDAABCXMQXIK-OAHLLOKOSA-N	397.454	2.124	0	1	GEAF	
CC[C@H]1Cn2c(c(NC(=O)c3ccco3)c(=O)n(Cc3ccc(F)cc3)c2=O)N1	82208405	MDXISWANJYXHGY-AWEZNQCLSA-N	398.394	2.247	0	1	GEAF	
O=C(c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1)N1C[C@H]2OCC[C@@H]2C1	146555507	DDROWFUGYPOEDL-CZUORRHYSA-N	379.407	2.187	0	1	GEAF	
N[C@H]1C[C@@H](N2Cc3cn[nH]c3C2)CN(Cc2cn[nH]c2)[C@H]1c1cc(F)ccc1F	205420499	KJDKAFNLEFMVSD-BPAFIMBUSA-N	399.449	2.070	0	1	GEAF	
CCNc1cc(O)c2c(c1)C=CC[C@@H](O)[C@H](O)C(=O)C=C[C@H](C)[C@H](C)OC2=O	299816995	MWUFVYLAWAXDHQ-YDYCPSOVSA-N	389.448	2.269	0	1	GEAF	
C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc(Cl)c(F)c(F)c2[nH]1	586937904	HBRNYOIBJBQWPK-ZCFIWIBFSA-N	375.788	2.268	0	1	GEAF	
CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2c(O)nc(O)nc2[nH]1	587197843	ABHUJOAPGGYSGR-UHFFFAOYSA-N	376.376	2.290	0	1	GEAF	
COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2ccc(N3CCN(C)CC3)cc2[nH]1	587230856	NMBOVTLTXSXTAP-ROUUACIJSA-N	399.539	2.351	0	1	GEAF	
COc1n[nH]c2cc(NC(=O)N[C@H](c3ccccc3)[C@@H](O)C(C)C)nc(CO)c12	1772572109	MDEUQTVPKIASIW-MSOLQXFVSA-N	399.451	2.339	0	1	GEAF	
NS(=O)(=O)c1ccc(C(=O)N2CCC(O)(c3ccc(Cl)cc3)CC2)cc1	1857544154	LIUBLVAZYHNOIY-UHFFFAOYSA-N	394.880	2.111	0	1	GEAF	
COc1cc2c(c(O)c1OC)OC[C@@H](c1cc(O)c(OC)c(OC)c1O)[C@@H]2O	2356730720	CYYLBUZNXKPWKU-GXFFZTMASA-N	394.376	2.047	0	1	GEAF	
O=C(CCS(=O)(=O)c1cccs1)N1CCN(c2ccc(F)cc2)CC1	3957877	SKXQTLOYXRBPBO-UHFFFAOYSA-N	382.482	2.400	0	3	GEAF	
CCC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)N3CCC[C@@H](C)C3)ccc21	6730530	IRBWBPDGFBFXCI-OAHLLOKOSA-N	392.521	2.408	0	3	GEAF	
COc1cc2c(cc1OC)[C@H](C(=O)NC[C@H]1CCCO1)[C@H]1CCCCN1C2=O	2456115	XTGIYWNPRRNBIB-NRXGSXMXSA-N	388.464	2.091	0	1	GEAF	
CN(C/C=C/c1ccccc1)C[C@@H](O)COc1ccc(NS(C)(=O)=O)cc1	29347413	NJOSGJHFHCMWSX-MBNRZODZSA-N	390.505	2.443	0	1	GEAF	
CCc1nc(C(=O)NCC(=O)NC2CCN(Cc3ccccc3)CC2)cs1	82072148	OCEHHPWWLKAHIN-UHFFFAOYSA-N	386.521	2.216	0	1	GEAF	
COc1ccccc1Nc1nc2cc(C(N)=O)ccc2n1CCN1CCOCC1	82191454	SEAZXUASWNMLCK-UHFFFAOYSA-N	395.463	2.220	0	1	GEAF	
COCC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)Nc1ccccc1F	95893939	ZQADTZAUZMFMKK-NLWGTHIKSA-N	399.422	2.180	0	1	GEAF	
COc1cc2c(cc1OC)[C@@]13CCN4C[C@@H]5CCO[C@@H]6CC(=O)N2[C@@H]1[C@@H]6[C@@H]5C[C@@H]43	169366689	BETNIDISFVHOSJ-WWZKAFKISA-N	396.487	2.190	0	1	GEAF	
CC(=O)N1CCN(C(=O)Nc2ccc(N3CC[C@H](N4CCC[C@H]4C)C3)cc2)CC1	261077284	BCCVUKGKQRRJOM-UTKZUKDTSA-N	399.539	2.446	0	1	GEAF	
Brc1cnc(Br)c2[nH]c(C[C@H]3COCCO3)nc12	586910523	QLEWRJOXKNOUBO-LURJTMIESA-N	377.036	2.441	0	1	GEAF	
CN(C)S(=O)(=O)c1cccc2nc(-c3cnc(-c4cnn(C)c4)s3)[nH]c12	587021177	GDVPIJCOAVMBCK-UHFFFAOYSA-N	388.478	2.337	0	1	GEAF	
NC[C@H](NC(=O)c1ccc(-c2ccc(Cl)nc2)[nH]1)c1nc(CO)cs1	1857561992	YFQHISNHMXIJIR-ZDUSSCGKSA-N	377.857	2.109	0	1	GEAF	
Cn1cnnc1SCCc1nnc(SCC(=O)Nc2ccccc2)o1	1857770628	IBSYBRBMOJDWJK-UHFFFAOYSA-N	376.467	2.264	0	1	GEAF	
CNC(=O)c1cc(C(=O)N[C@H]2C[C@H](O)C2)cc2c1O[C@H](CF)[C@H]2c1ccccc1	1911585419	LOGHPTLVAZULOZ-RGCFKVTRSA-N	398.434	2.162	0	1	GEAF	
CC(C)S(=O)(=O)N1CC[C@@H](CC(=O)O)[C@H](Cc2nc3ccc(F)cc3[nH]2)C1	2356334705	LUWPAXNREUHKRU-QWHCGFSZSA-N	397.472	2.396	0	1	GEAF	
COc1cc2c(c(O)c1OC)[C@H](O)[C@@H]1CCC(=O)N1[C@H]2c1ccc2c(c1)OCO2	17257217	LBMHTQBMZVLESM-YXKWSERDSA-N	399.399	2.266	0	1	GEAF	
O=C(c1ccccn1)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2C(=O)C1CCC1	95866718	OHFUWEOGWTZGHX-VQTJNVASSA-N	391.471	2.063	0	1	GEAF	
Nc1cccc(CN2C(=O)c3cccc4cc(S(=O)(=O)O)cc(c34)C2=O)c1	103254244	UCBPTTGPQRKPIP-UHFFFAOYSA-N	382.397	2.465	0	1	GEAF	
COCCOc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2ccccc2)c1	114078066	ZUXZPMVAQHMLQJ-UHFFFAOYSA-N	395.463	2.172	0	1	GEAF	
Cc1nc([C@@H]2CCOC2)c2c(N3CCc4cnn(CC5CCC5)c4C3)ncnn12	169711802	RMXQNDVWWPKBAT-QGZVFWFLSA-N	393.495	2.496	0	1	GEAF	
COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1cncnc1	203532234	NPTFUCCQTNGDMC-UHFFFAOYSA-N	388.811	2.358	0	1	GEAF	
NC(=O)c1c(N)n(-c2cccc(C(=O)NC3CC3)c2)c2nc3ccccc3nc12	299824676	BJZQEYHAHMGINT-UHFFFAOYSA-N	386.415	2.147	0	1	GEAF	
CN(C)S(=O)(=O)c1cccc2nc(/C=C/S(=O)(=O)c3ccccc3)[nH]c12	586924183	KKNZZSITRKCLQM-VAWYXSNFSA-N	391.474	2.258	0	1	GEAF	
COc1cc(Br)c([C@@H](N)c2nc3ccnc(O)c3[nH]2)cc1OC	586976670	WVZWVHTVXPAUIK-GFCCVEGCSA-N	379.214	2.491	0	1	GEAF	
CCc1ccccc1-n1c(C)cn2c3c(=O)n([C@@H](C)COC)c(=O)n(C)c3nc12	621431575	PKXBFMLVCJQNOT-AWEZNQCLSA-N	395.463	2.217	0	1	GEAF	
CCOC(=O)c1c([C@@H]2N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)cnn1C	962727973	BMVWBUQKYWZSCO-ZIAGYGMSSA-N	381.354	2.332	0	1	GEAF	
Cc1nc([C@@H](CN)NC(=O)c2nc(-c3ccc(Cl)cc3)c[nH]2)sc1CO	1772582307	BRSDMTYVDITUKQ-GFCCVEGCSA-N	391.884	2.417	0	1	GEAF	
COCCNC(=O)[C@H](C)[C@@H]1CC[C@]2(C)CC[C@H](NC(=O)C3CC3)[C@H](C)[C@@H]2[C@@H]1O	2356491450	KXOJPFMBNWZORO-NMPNDITKSA-N	394.556	2.103	0	1	GEAF	
COc1ccc(C=CC(=O)NCCCC[C@H](N)C(=O)O)cc1Br	2356816411	DAWHVQABSAAHDG-ZDUSSCGKSA-N	385.258	2.169	0	1	GEAF	
O=C(N[C@@H]1CO[C@H]2[C@H]1OC[C@H]2Nc1nccc(-c2cccs2)n1)c1ccco1	2356863399	UQTQOARCPRMQGS-UTJXIGIESA-N	398.444	2.175	0	1	GEAF	
CC1CCN(C(=O)c2[nH]cnc2C(=O)N2CCN(c3ccccc3)CC2)CC1	36388127	JQFVKYXTCOLXHA-UHFFFAOYSA-N	381.480	2.244	0	3	GEAF	
CC1(C)Oc2c(O)cc([C@@H]3CC(=O)c4c(O)cc(O)cc4O3)cc2[C@H](O)[C@@H]1O	14708771	UHWLHTOOVRRTDW-FNHZYXHNSA-N	388.372	2.075	0	1	GEAF	biogenic
COc1ccccc1[C@H](c1nnnn1Cc1ccc(F)cc1)N1CCN(C)CC1	20141271	UFSJIFYSGRDSBI-HXUWFJFHSA-N	396.470	2.206	0	1	GEAF	
O=C(NCCCC[C@H](NC(=O)c1ccncc1)C(=O)O)OCc1ccccc1	40940178	RWIMUDZHMABXDA-KRWDZBQOSA-N	385.420	2.361	0	1	GEAF	
FC(F)(F)Oc1cccc(-n2nnc3ccc(N4C[C@@H]5CNC[C@H]5C4)nc32)c1	73387222	ZOSLTFMNLPTPHD-RYUDHWBXSA-N	390.369	2.370	0	1	GEAF	
O=C(Cc1ccccn1)N1CCc2nc(-c3cc4ccccc4[nH]c3=O)[nH]c2C1	84635806	IBANLBGNKLNKEM-UHFFFAOYSA-N	385.427	2.441	0	1	GEAF	
CC(C)=CCC/C(C)=C/Cn1cc(CC(P(=O)(O)O)P(=O)(O)O)nn1	96903695	QDXMBMMHDIWQDT-KPKJPENVSA-N	393.317	2.195	0	1	GEAF	
CC(C)(C)OC(=O)N1CC[C@@H](OC[C@H](O)CN2CCc3ccccc3C2)C1	219732273	VGLIUVRLGNYGAG-RTBURBONSA-N	376.497	2.432	0	1	GEAF	
COC(=O)[C@@H]1CCC[C@H]2[C@]1(C)[C@H](O)C[C@@H](C)[C@@]2(C)C[C@@H](O)C1=CC(=O)OC1	238755106	BDMPRXRGZXNSLR-RODGSITFSA-N	380.481	2.223	0	1	GEAF	
O=S(=O)(NCc1nc2c(F)cnc(Cl)c2[nH]1)c1ccc2c(c1)OCCO2	586941036	CDDPSHDTVSPTNW-UHFFFAOYSA-N	398.803	2.000	0	1	GEAF	
Nc1cc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)ccc1CC(=O)O	587249872	OTMORAHYBJUAHP-UHFFFAOYSA-N	390.403	2.499	0	1	GEAF	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C1)O2	587394699	ZDBTWYKTMLIBHY-ORAYPTAESA-N	376.409	2.375	0	1	GEAF	
Cc1cccc(NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3NC2=O)n1	618015316	JLEGLLXXVUNMMH-YVSFHVDLSA-N	384.480	2.014	0	1	GEAF	
CCC(CC)C(=O)N1CC[C@](C)(O)[C@H](NC(=O)COC)[C@H]1c1cccs1	2356289179	QZZRWWWDCYRTRP-LMMKCTJWSA-N	382.526	2.340	0	1	GEAF	
COc1ccc(C(=O)N2C[C@H]3COCCN3C3(C2)CN(C2CCCCC2)C3)cc1	2356725000	GLPNBCWKJBYZKW-FQEVSTJZSA-N	399.535	2.239	0	1	GEAF	
COc1ccc2ccccc2c1CNC(=O)C[C@@H]1C(=O)NCCN1CC(C)C	13593983	CWAHJAYQHOZAFR-LJQANCHMSA-N	383.492	2.311	0	3	GEAF	
OCCn1ncc2c1nc(NCc1ccccc1)n1nc(-c3ccco3)nc21	12405961	OSZWVJJBQZGBPD-UHFFFAOYSA-N	375.392	2.338	0	1	GEAF	
CC[C@@H]1CN(C(=O)c2ccccc2)CC[C@H]1CC(=O)NCCN1CCOCC1	25427684	CBMNWFYRSJZMPS-QUCCMNQESA-N	387.524	2.013	0	1	GEAF	biogenic
C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(c3ccc4c(c3)c3ncccc3n4C)C[C@H]12	27878882	ZJNDIFTYGRCTFO-FDOKIQAASA-N	377.400	2.134	0	1	GEAF	
O=C(O)c1cn(-c2ccc(O)cc2)c2cc(N3C[C@H]4C[C@@H]3CN4)c(F)cc2c1=O	40533641	TWVMCOXIQXVLHX-DGCLKSJQSA-N	395.390	2.084	0	1	GEAF	
COn1cc(C2=N[C@@](c3ccc(F)cc3)(c3ccc(F)nc3)[C@H](C)N2)ccc1=O	71296043	ZEYKOXALDHNSKI-ZSEKCTLFSA-N	396.397	2.262	0	1	GEAF	
CN(C)C(=O)c1cccc(Nc2c(NCCc3ccccc3)c(=O)c2=O)c1O	137841712	ZYBZORGCVGFKDJ-UHFFFAOYSA-N	379.416	2.088	0	1	GEAF	
O=C1/C(=C/NCCO)N=C2CN=C(c3ccccc3)c3cc(Cl)ccc3N12	169319028	UIYNZXBUOYYXQA-WJDWOHSUSA-N	380.835	2.359	0	1	GEAF	
NS(=O)(=O)c1c[nH]c(-c2nc3c(Cl)ncc(Br)c3[nH]2)c1	586929154	BUNXKQBHICWXEF-UHFFFAOYSA-N	376.623	2.016	0	1	GEAF	
COc1ccc(S(=O)(=O)N[C@@H](c2nc3ccc(Cl)nc3[nH]2)[C@@H](C)O)cc1	586938345	QIEDMKCKBKBRBC-YMTOWFKASA-N	396.856	2.020	0	1	GEAF	
CCOC(=O)c1cnc2c(c1)[C@@]1(CCC2)N[C@H](C(=O)O)Cc2ccc(O)c(C)c21	963487755	CWCXNQLUACYLAW-HTAPYJJXSA-N	396.443	2.451	0	1	GEAF	
Cc1cc(C(=O)N2CCOC[C@@H](Oc3ccc(C(F)(F)F)cn3)C2)n(C)n1	2356440335	XWSHDWLFOJNMGM-ZDUSSCGKSA-N	384.358	2.062	0	1	GEAF	
CC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)NCc3cccs3)ccc21	4099379	LQTCPYZAZNRETG-UHFFFAOYSA-N	392.502	2.137	0	3	GEAF	
COc1cc([C@@H]2c3cc4c(cc3C(=O)[C@@H]3CCC(=O)N32)OCO4)cc(OC)c1O	1654646	DHAJSWSGIAPSOV-ORAYPTAESA-N	397.383	2.415	0	1	GEAF	
O=C(CCc1ccccc1)Nc1ccsc1-c1nc(C(=O)O)c(O)c(=O)[nH]1	3583158	ZLOSBJRPAGSRKF-UHFFFAOYSA-N	385.401	2.474	0	1	GEAF	
CCOc1cccc([C@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCCOCCO)c1	4049469	DYUDSNKGZBJWIW-PZJWPPBQSA-N	398.459	2.302	0	1	GEAF	
O=c1c(-c2cc(F)cc(F)c2)nc2cnc(N3CCOCC3)nc2n1C1CC1	4238549	GLXMAHSYKIYTES-UHFFFAOYSA-N	385.374	2.303	0	1	GEAF	
CCCn1c(=O)c2[nH]c(-c3ccc(/C=C/C(=O)O)cc3)nc2n(CCC)c1=O	5114734	UGCOFEOEBHUEHA-JXMROGBWSA-N	382.420	2.471	0	1	GEAF	in-vitro
O=C1O[C@@H](c2ccc3c(c2)OCO3)[C@@H]2C(=O)O[C@@H](c3ccc4c(c3)OCO4)[C@H]12	5808583	APOQDYUENSVQGT-BDXSIMOUSA-N	382.324	2.272	0	1	GEAF	biogenic,in-vitro
CSc1c(C(=O)c2nc(C(=O)O)cc3c2[nH]c2ccc(O)cc23)n(C)c[n+]1C	15147749	VHOWJGBDMHYBED-UHFFFAOYSA-O	397.436	2.236	0	1	GEAF	
CC(C)NC(=O)N1CC[C@@H](CC(=O)O)[C@@H](CCN(C)CCc2ccccn2)C1	20462981	SVOIRFOIFYWMAQ-ROUUACIJSA-N	390.528	2.477	0	1	GEAF	biogenic
COc1ccc([C@@H]2C3=C(O)CCCC3=Nc3c2c(=O)n(C)c(=O)n3C)cc1OC	104025355	LEPBJKFNLGCEBI-MRXNPFEDSA-N	397.431	2.315	0	1	GEAF	
C[C@]1(c2cc(NC(=O)c3cnc(OCF)cn3)ccc2F)N=C(N)OC[C@@H]1F	169702946	JIDPJVJKHQADPG-SUMWQHHRSA-N	395.341	2.072	0	1	GEAF	
CC(=O)NC1(c2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)CCC(C)CC1	587234581	PWAGQWLYLOAELT-UHFFFAOYSA-N	378.498	2.355	0	1	GEAF	
Oc1nc(O)c2ccc(-c3cc(I)ccc3O)nc2n1	587369801	PALHXGSMQWQHBR-UHFFFAOYSA-N	381.129	2.413	0	1	GEAF	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)O)(c2csc(N)n2)N1	587853330	PXPLVKJXZCNLGY-DXRPGJJCSA-N	386.246	2.489	0	1	GEAF	
Cn1ncc([C@@]2(C)N[C@H](C(=O)O)Cc3ccc(Oc4ccc(O)cc4)cc32)n1	962929074	RDXCVCBSFJFAIM-PXNSSMCTSA-N	380.404	2.175	0	1	GEAF	
CN1C=C(C(=O)O)[C@@]2(NCCc3c(C(=O)O)cccc32)c2cc(F)cc(F)c21	963123371	ODUDIXUBYZDIDT-FQEVSTJZSA-N	386.354	2.471	0	1	GEAF	
COc1ccc(Cn2ccc3nc(N)nc(NCc4cc(C)on4)c32)nc1OC	1772634723	TZAKGYMSVWIROS-UHFFFAOYSA-N	395.423	2.383	0	1	GEAF	
NC(=O)c1cnc(N2CCC[C@H](N)C2)[nH]c1=Nc1cccc(-c2ccccc2)c1	1911582038	YMVRZHSCMYUVMA-KRWDZBQOSA-N	388.475	2.336	0	1	GEAF	
CC(=O)N[C@@H]1CCN(C(=O)c2onc(-c3ccc(Cl)cc3)c2[C@@H](C)O)C1	2356560375	XQZSKLAETUWMCH-QMTHXVAHSA-N	377.828	2.399	0	1	GEAF	
CC(C)(O)[C@H]1Cc2ccc(CC3=C(c4ccc(O)cc4)C(=O)NC3=O)cc2O1	2356712333	ZHZFWZNCGZJUSC-GOSISDBHSA-N	379.412	2.119	0	1	GEAF	
CN1c2ccccc2C(=O)NC12CCN(C[C@H]1COc3ccccc3O1)CC2	1640498	URSGOQMZFDRMLW-INIZCTEOSA-N	379.460	2.498	0	1	GEAF	
O=C(O)c1cccc(N2CC(=O)N(S(=O)(=O)c3ccc(Cl)cc3)C2=O)c1	13763622	PMIJCLCSCJKOIS-UHFFFAOYSA-N	394.792	2.196	0	1	GEAF	
COc1ccc(-c2nnnn2C)cc1CN[C@H]1CCCN[C@H]1c1ccccc1	22938174	SREWSRXPXZVLMR-ICSRJNTNSA-N	378.480	2.469	0	1	GEAF	
COc1ccc(-c2ccnc(N[C@@H]3CO[C@@H]4[C@@H](NCC(C)C)CO[C@@H]34)n2)cc1	25430969	GUHHDORKOQQQPF-NMLBUPMWSA-N	384.480	2.345	0	1	GEAF	biogenic
O=c1ccc(C(F)(F)F)cn1-c1ccc(N(CCO)CCO)cc1Cl	73297618	ADTNXJFRDHEYSB-UHFFFAOYSA-N	376.762	2.301	0	1	GEAF	
COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)C1CCCC1)CC31CN(C)C1	95865087	UHWFSADTXCYGKH-GOSISDBHSA-N	383.492	2.426	0	1	GEAF	
Cc1nn(-c2ccccc2)c2nc(CC3CCN(C4CNC4)CC3)nc(O)c12	149558402	FFMMMFQLZAEVOO-UHFFFAOYSA-N	378.480	2.056	0	1	GEAF	
COc1cccc(-c2cc(NC3CC3)n3ncc(/C=C4\NC(=O)NC4=O)c3n2)c1	205033771	RQSCESHOBLOQAK-PXNMLYILSA-N	390.403	2.160	0	1	GEAF	
C[C@@H]1CC(=O)N(CC(=O)N2CCN(c3cccc(Cl)c3Cl)CC2)C1=O	653723335	SPJQMXNLAWAVDL-LLVKDONJSA-N	384.263	2.037	0	1	GEAF	
O=S(=O)(c1ccc2c(c1)OCO2)N1CC[C@@H]1COc1ccc(Cl)nc1	1857652933	SASKALIOVONFNB-LLVKDONJSA-N	382.825	2.306	0	1	GEAF	
COC(=O)C1=NN[C@]2(c3ccc(C)cc3)C(=O)N(c3cccc(C)c3C)C(=O)[C@H]12	1015131	SQVCRPCYVJYJJI-JTSKRJEESA-N	391.427	2.129	0	3	GEAF	
C[C@]1(C(=O)NS(=O)(=O)c2ccccc2Cl)CCN1C(=O)c1ccco1	61906003	OIIXELPJRAUSPG-MRXNPFEDSA-N	382.825	2.043	0	3	GEAF	
Cc1ccccc1C1=NO[C@H]2CN(S(=O)(=O)c3c(C)nn(C)c3Cl)C[C@H]12	205230572	WCSSHBZAYPZSRR-KBPBESRZSA-N	394.884	2.114	0	3	GEAF	
CC1=CC(=O)N(Nc2nc(C(F)(F)F)nc3ccc([S@](C)=O)cc23)C1=O	13587562	FGFHRFLTVFDCAK-AREMUKBSSA-N	384.339	2.028	0	1	GEAF	
CCOC(=O)c1cnc(N(C)N2C(=O)C=C(C)C2=O)nc1-c1ccc(C)s1	13818252	LTESBTBPPRUQGA-UHFFFAOYSA-N	386.433	2.357	0	1	GEAF	
CC(C)[C@H]1C[C@@]1(NS(=O)(=O)c1ccc(-n2cc(Cl)cn2)s1)C(=O)O	49013676	XCQRCUWALUALGH-YGRLFVJLSA-N	389.886	2.365	0	1	GEAF	
CCCCOc1nc(N)c2nc(O)n(Cc3cccc(CC(=O)OCC)c3)c2n1	49072149	ZBCHPELLPQXWIX-UHFFFAOYSA-N	399.451	2.447	0	1	GEAF	
C[C@]12C=C[C@]3(CN(Cc4ccccc4)C(=O)[C@@H]3[C@@H]1C(=O)NCc1ccco1)O2	100306801	OWGQHWVHMOBBLL-JZZBYWGLSA-N	378.428	2.268	0	1	GEAF	
COc1cc(C(=O)NCCCO)ccc1NC(=O)c1csc2cncnc12	113651413	ARKUZXFZQNELFG-UHFFFAOYSA-N	386.433	2.064	0	1	GEAF	
N=C(N)c1ccc([C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3[C@@H]3CCCN32)cc1	473121646	QKVYJJDWLBNNSF-MTQWCTHYSA-N	388.471	2.291	0	1	GEAF	
COC(=O)c1ccc2[nH]c(-c3cccnc3S(=O)(=O)C(F)(F)F)nc2n1	587126738	GASSOEQOKYXPTG-UHFFFAOYSA-N	386.311	2.100	0	1	GEAF	
CC[C@@H](C)n1ncc(I)c1-c1nc2nc(N)ncc2[nH]1	587180710	KCUNCZSRVRPLFG-ZCFIWIBFSA-N	383.197	2.374	0	1	GEAF	
COc1cc2c3c(c1)O[C@]1(C(=O)N(CCC(=O)O)c4cc(F)ccc41)[C@@H](C2)C3=O	587429401	UXSCNFGNQJQGIR-QKKBWIMNSA-N	397.358	2.299	0	1	GEAF	
O=C(O)CNc1ncc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1	587574554	XIWLSEPORITAQE-QFBILLFUSA-N	393.355	2.382	0	1	GEAF	
CCCc1noc(C2=C(C)CS[C@@H]3[C@H](NC(=O)Cc4ccccc4)C(=O)N23)n1	1857545943	MOHQDQQWGJYZBP-OXQOHEQNSA-N	398.488	2.396	0	1	GEAF	
CN[C@H](C)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)Nc1cccc2ccccc12)C(C)C	61925524	JSZPIOJRNMIRQD-VCBZYWHSSA-N	398.507	2.032	0	3	GEAF	
Cc1ccc(NS(=O)(=O)c2ccc3c(c2)NC(=O)[C@@H](C)C(=O)N3)cc1F	6817230	GNJIUZSBBUFAMW-JTQLQIEISA-N	377.397	2.462	0	1	GEAF	
C[C@H]1COc2c(N3C[C@@H](C)O[C@H](C)C3)c(F)cc3c(=O)c(C(=O)O)cn1c23	29127043	BAYPIFHTRJZWTI-HBNTYKKESA-N	376.384	2.406	0	1	GEAF	
CCCn1c(=O)c(NCc2ccc(C(=O)OC)cc2)c2n(c1=O)C[C@H](CC)N2	82207790	IXXQEECRMMTMHZ-HNNXBMFYSA-N	386.452	2.023	0	1	GEAF	
COc1cc(F)ccc1Oc1nc2ccccc2nc1C(=O)Nc1nnn[nH]1	143360269	DAYWNRVVMMSBKX-UHFFFAOYSA-N	381.327	2.335	0	1	GEAF	
CC(C)(C)n1nnc([C@H](CCCNC(=N)CF)NC(=O)c2ccccc2)n1	299867253	QADOZYLMBDQXHA-AWEZNQCLSA-N	375.452	2.216	0	1	GEAF	
CN(C)C(=O)c1ccc2nc(CCC(=O)c3ccc(S(C)(=O)=O)cc3)[nH]c2c1	586926419	PONWQDVKIDVAFT-UHFFFAOYSA-N	399.472	2.484	0	1	GEAF	
Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2nc(Cl)c[nH]c-2n1	587120653	CCSUAVMDXKFHSM-UHFFFAOYSA-N	397.748	2.382	0	1	GEAF	
COCCCN1C(=O)[C@H](CC(=O)NC2CCCCC2)CC(C(=O)N(C)C)=C1C	61920988	PQWJIIQPRRRDSH-INIZCTEOSA-N	393.528	2.073	0	3	GEAF	
COc1ccc2c3c([nH]c2c1)[C@@H]1C[C@@H]2[C@H](C[C@H](O)[C@@H](OC)[C@@H]2CO)CN1CC3	253978910	YCLAQLTVHNAEEQ-VJLADMSASA-N	386.492	2.100	0	3	GEAF	
COC(=O)[C@@H]1CN(C(=O)c2ccccc2)C(=O)N1C(=O)OCc1ccccc1	5537271	CQFXQUCDNZKJIX-INIZCTEOSA-N	382.372	2.443	0	1	GEAF	
COCCn1c(C)c(-c2ccccc2F)c(=O)n(C[C@H](N)c2ccccc2)c1=O	13609659	ISLRAXMBUPLTEJ-IBGZPJMESA-N	397.450	2.471	0	1	GEAF	
CCC(=O)N1[C@H](CO)[C@@H](c2ccccc2)C12CN(C(=O)c1ccc(F)cc1)C2	95794056	PYDQIVDMVGAAQB-UYAOXDASSA-N	382.435	2.417	0	1	GEAF	
CCC(=O)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(-c3ccccc3F)cc1)[C@@H]2CO	95866951	HSZXWGUUBZPEQX-XQBPLPMBSA-N	382.435	2.400	0	1	GEAF	
O=C1NC(=O)/C(=C/c2cnn3c(NC4CC4)cc(-c4cccc(F)c4)nc23)N1	117825895	QOLYMTWFVJPYPN-CHHVJCJISA-N	378.367	2.290	0	1	GEAF	
N=C(N)c1ccc(C2=NO[C@@H](CC(=O)N3CCCCC[C@H]3CC(=O)O)C2)cc1	140482541	BJLCXFCSMAAMCW-JKSUJKDBSA-N	386.452	2.100	0	1	GEAF	
CC(C)(O)CNC(=O)c1cnn2ccc(N3CCC[C@H]3c3cncc(F)c3)nc12	169704207	GRFSXOHKPKDKRB-INIZCTEOSA-N	398.442	2.106	0	1	GEAF	
Cn1cc(-c2cc3c(-c4cccc(N5CCC[C@H](O)C5)n4)n[nH]c3cn2)cn1	205244400	SCICSUQDLRSZHW-AWEZNQCLSA-N	375.436	2.382	0	1	GEAF	
Cc1ccnc(C(=O)N2[C@H]3CC[C@H]2[C@H](COc2ccccn2)C3)c1-n1nccn1	226064050	KIUJEZNVENCQRE-ULQDDVLXSA-N	390.447	2.438	0	1	GEAF	
N=C(N)c1ccc([C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3[C@@H]3CCCN32)cc1	473121648	QKVYJJDWLBNNSF-VNTMZGSJSA-N	388.471	2.291	0	1	GEAF	
CCOC(=O)C(=O)NC[C@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1	587387165	NPDJQRUETUZPKO-NRFANRHFSA-N	382.416	2.117	0	1	GEAF	
CCCc1c(O)ccc2c1O[C@](CC(=O)C(=O)OC)(c1cnn(C)c1)CC2=O	587476216	QGWDGXHBEHISQZ-HXUWFJFHSA-N	386.404	2.071	0	1	GEAF	
CC(C)c1nn(C)c2c1[C@@](C)(c1cnc3[nH]c4ccccc4n3c1=O)NCC2	962915886	VWQVVNMHNRVWPV-OAQYLSRUSA-N	376.464	2.442	0	1	GEAF	
COc1ccc([C@@H]2C[C@H](O)[C@@H](O)[C@H]2NC(=O)Cc2ccc(Cl)cc2)cc1	2356286942	UEEBETVTTUHWNM-QGZVKYPTSA-N	375.852	2.285	0	1	GEAF	
COc1ccc(-c2cn(C[C@@H]3C[C@H]4CCN3C[C@H]4C(=O)NC(C)C)nn2)cc1	2356300678	OKMZHGKOEZWZPF-ZIFCJYIRSA-N	383.496	2.189	0	1	GEAF	
CC(C)c1ccccc1NC(=O)Nc1nnc([C@H]2C[C@H](O)[C@@H](CO)O2)s1	61928260	BTGNMXSEBNLWKH-BFHYXJOUSA-N	378.454	2.489	0	3	GEAF	
COc1cc2c(cc1OC)[C@]13CCN4C[C@@H]5CCO[C@@H]6CC(=O)N2[C@@H]1[C@@H]6[C@H]5C[C@H]43	253915798	BETNIDISFVHOSJ-BSCOCFFQSA-N	396.487	2.190	0	3	GEAF	
CCS(=O)(=O)NCCc1sc2nc(-c3ccc(OC)cc3)nn2c1C	4570277	IXBBGSXLUJLGCM-UHFFFAOYSA-N	380.495	2.257	0	1	GEAF	
O=C(CN1CCOCC1)Nc1ccc2c(c1)-c1[nH]c(=O)c3ccccc3c1C2	13652901	GEWVMOXUEAAXPD-UHFFFAOYSA-N	375.428	2.370	0	1	GEAF	
CC(=O)O[C@H]1CCCN2[C@H]1CC(=O)[C@@H](n1cnc3ccccc3c1=O)C2(C)C	26574331	GVBUYPLGEBOUCO-YTQUADARSA-N	383.448	2.085	0	1	GEAF	
CC(C)S(=O)(=O)n1c(N)nc2ccc(NS(=O)(=O)c3ccccc3)cc21	28963402	GFWARHRYOKQMQO-UHFFFAOYSA-N	394.478	2.006	0	1	GEAF	
O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(c2cnccn2)CC1	29417048	VDTRKIYDOADZQN-UHFFFAOYSA-N	385.512	2.088	0	1	GEAF	
O=S1(=O)CCCN1C[C@@H](O)Cn1c2cc(F)ccc2c2ccc(F)cc21	148517525	FPYAHDSHKCWDQD-CQSZACIVSA-N	380.416	2.469	0	1	GEAF	
OCC(=CCc1cc2c(cc1O)OC[C@H]1c3cc4c(cc3O[C@@H]21)OCO4)CO	238737257	ACXGNNSXQDOXDD-BTYIYWSLSA-N	384.384	2.184	0	1	GEAF	
CC(=O)O[C@H]1C[C@@H]2[C@@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]2CC[C@]3(C)C=C[C@]12[C@H]3O	238773944	CBGKDBOXACGOEG-LXWRTJFDSA-N	378.509	2.431	0	1	GEAF	
NS(=O)(=O)c1cccc2nc(-c3nnn(-c4ccc(F)cc4)c3C3CC3)[nH]c12	587168319	FRVCTEHDWRKMHP-UHFFFAOYSA-N	398.423	2.475	0	1	GEAF	
COC(=O)[C@@H]1c2ccc(OC)nc2CC[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3	587436184	MWDKOWNFJPSVRY-YFYZNPQRSA-N	395.411	2.488	0	1	GEAF	
CCOC(=O)c1c[nH]nc1[C@H]1N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21	962969324	QGGVBUMKIKFWIT-HZMBPMFUSA-N	385.754	2.206	0	1	GEAF	
COC(=O)C1=C2CCC3=C2[C@@]2(C1)[C@@]1(C)CC[C@@H]4[C@@H](C)CN(C[C@H]1C[C@H]3O)[C@]42O	2356868984	XGTHDNFQKJWUPJ-XCUOPGLDSA-N	385.504	2.388	0	1	GEAF	
O=C(NC1CCCCC1)O[C@@H]1CO[C@@H]2[C@@H](NC(=O)C3CCCCC3)CO[C@@H]12	25212893	FQNIFVAEVDNKMA-MLHJIOFPSA-N	380.485	2.277	0	1	GEAF	biogenic
COC(=O)[C@@H](N)[C@H](O)c1c[nH]c(C(=O)CC(c2ccccc2)c2ccccc2)n1	28568433	JPFRYUMQTQBRTH-VQTJNVASSA-N	393.443	2.348	0	1	GEAF	
CCNC(=O)c1ccc(C)c(N2C[C@@H]3N=C(NC4CCCC4)S[C@@H]3C2=O)c1	29041469	RSSZRZUNYKIVBY-RDJZCZTQSA-N	386.521	2.464	0	1	GEAF	
CC(C)NC(=O)NC[C@H]1C[C@H]2CCN1C[C@@H]2CN1CCN(c2ccccc2)CC1	43527310	XYNOWFLKYUJNNO-RZUBCFFCSA-N	399.583	2.227	0	1	GEAF	biogenic
COc1ccc(CCNc2nc(N3CCC[C@H](C(N)=O)C3)ncc2C)cc1OC	82204336	WMESWISJEFJOTC-INIZCTEOSA-N	399.495	2.159	0	1	GEAF	
O=C1N=C2SC([N+](=O)[O-])=CN2C2=NC(=S)N[C@H](c3ccc(Cl)cc3)[C@@H]12	95584542	ZLUPYWJLHQGGOL-NXEZZACHSA-N	393.837	2.305	0	1	GEAF	
CC(C)(C)OC(=O)N1CC[C@H](OC[C@H](O)CN2CCc3ccccc3C2)C1	219732198	VGLIUVRLGNYGAG-MOPGFXCFSA-N	376.497	2.432	0	1	GEAF	
CC(=O)O[C@H]1[C@@H]2[C@@H]3OC(=O)C4=C3[C@@](C)(CC[C@@H]4O)CC[C@@]2(C)[C@@H](C(C)C)[C@H]1O	2356445506	DJPDLYKJBRHWGX-HWVQCFNNSA-N	392.492	2.364	0	1	GEAF	
CC(C)NC(=O)N1CCN2[C@@H](CN(C(=O)NCc3ccccc3)CC2(C)C)C1	2356611444	XHOPIMCMFPKCHO-GOSISDBHSA-N	387.528	2.095	0	1	GEAF	
O=C(C[C@@H](C(=O)N1CCc2ccccc21)n1ccnc1)NCc1cccnc1	3046293	MKTOMNCSAYZJMT-IBGZPJMESA-N	375.432	2.115	0	3	GEAF	
CN1CCCN(C2=NC(=O)N(c3ccc(Br)cc3)C(=O)C2)CC1	206491344	RPAUXAXYBIBWCF-UHFFFAOYSA-N	379.258	2.342	0	3	GEAF	
CCN(CCCNC(=O)Cn1cnc2onc(C)c2c1=O)c1cccc(C)c1	21531558	WDMLNCGQZIWKTQ-UHFFFAOYSA-N	383.452	2.034	0	1	GEAF	
O=C(O)/C=C/C/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)COc1ccccc1	28476179	SNIJWFBGVHZIFB-BUVCTNAKSA-N	388.460	2.318	0	1	GEAF	
CC(C)=C[C@@H](O)[C@@H]([C@@H](O)CCC1(C)OCCO1)S(=O)(=O)c1ccccc1	31900667	RDJDOTSCUNITOZ-RCCFBDPRSA-N	384.494	2.060	0	1	GEAF	
CNC(=O)Cn1c(=O)n(C2CCN([C@@H]3C[C@H]4CC[C@@H]3C4)CC2)c2ccccc21	49048645	HPUKHZULLSYZHF-RZQQEMMASA-N	382.508	2.375	0	1	GEAF	
CC(=O)NC[C@@H]1OC(=O)N2c3ccc(-c4ccc(C(C)=O)cn4)cc3OC[C@@H]12	73195824	MRSNFMYZYPHLIR-HKUYNNGSSA-N	381.388	2.174	0	1	GEAF	
CC(=O)OC[C@]1(C)[C@H]2C[C@H](O)[C@]34C=C(CO)[C@H](CC[C@@H]3[C@]2(C)CC[C@H]1O)C4	95909233	FRDLKANXGVGBKH-BNUDRCGVSA-N	378.509	2.433	0	1	GEAF	biogenic,in-vitro
COc1ccc(S(=O)(=O)N[C@H](c2nc3cc(F)c(F)cc3[nH]2)[C@@H](C)O)cc1	586935152	CGYAUUASCAWBLF-ABKXIKBNSA-N	397.403	2.250	0	1	GEAF	
CCOC(=O)CCOCCCOCCc1nc2cnc(C(F)(F)F)[nH]c-2n1	587566250	CHEPYVZSFQYESV-UHFFFAOYSA-N	390.362	2.242	0	1	GEAF	
CS(=O)(=O)N1CCC2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1	587604908	ACVWCBSDFCQGRY-MRXNPFEDSA-N	389.429	2.148	0	1	GEAF	
COc1cc2c(cc1OC)[C@@H](c1ccc(S(N)(=O)=O)cc1F)N(C)[C@@H](C)C2	962617909	CLIDWUCDQXLZRF-JEOXALJRSA-N	394.468	2.456	0	1	GEAF	
C[C@H](c1nc(O)c2cnn(C3CCOCC3)c2n1)N1CC(Oc2cccnc2)C1	1772617619	DTBVEEDXIDMORK-CYBMUJFWSA-N	396.451	2.103	0	1	GEAF	
CC(=O)O[C@@H]1[C@H](O)[C@](C)(O)[C@](C)(C=CC2=CC(=O)OC2)[C@H]2CCC=C(C)[C@]12C	2356620217	KEQCMXAVBMZXAI-OMYPQRQMSA-N	390.476	2.452	0	1	GEAF	
CN1CCN(C(=O)C2=C[C@@H](C3CCCCC3)C[C@@H](OCCCCO)O2)CC1	13656839	XSRQAWOZQNOZHD-QUCCMNQESA-N	380.529	2.376	0	3	GEAF	
COc1cc([C@H](O)[C@@H](CO)Oc2c(OC)cc(C(C)=O)cc2OC)ccc1O	14821395	JMORGSSZTVVOFT-MOPGFXCFSA-N	392.404	2.094	0	1	GEAF	biogenic
CN1C(=O)c2c(ccc3c2OCO3)[C@]2(C)[C@@H](O)Cc3cc4c(cc3[C@@H]12)OCO4	13408880	KUCVHCLYIAWDLU-LDQXTDLNSA-N	381.384	2.146	0	1	GEAF	biogenic
COc1cc2c(cc1O)[C@H](c1cc(OC)c(O)c(OC)c1)[C@H](CO)[C@H](CO)C2	15270974	JUJIQKRWLCSYQD-AGKSTNPPSA-N	390.432	2.029	0	1	GEAF	biogenic
CC(=O)N[C@@H]1CN(C(C)=O)[C@@H](C(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccccc1	198880107	GLYXGKACPVYTOG-JRGCBEDISA-N	394.427	2.117	0	1	GEAF	
O=c1cc(N2CCOCC2)[nH]c(Cc2nc3c(-c4ccncc4)cccc3o2)n1	84758673	WTCKFVLXIUSZBT-UHFFFAOYSA-N	389.415	2.401	0	1	GEAF	
O=S(=O)(NC[C@H]1[C@@H](c2ccccc2)[C@H](CO)N1CC1CC1)c1ccccc1	95895683	DZQWNXDWAYARHT-PCCBWWKXSA-N	386.517	2.204	0	1	GEAF	
CC(C)(C)OC(=O)N(Cc1nc2[nH]c(=N)[nH]c(Cl)c-2n1)C[C@H]1CCCO1	587196707	AWFKUMMMONQVEF-SECBINFHSA-N	382.852	2.287	0	1	GEAF	
O=S(=O)(NCc1nc2cc3cn[nH]c3cc2[nH]1)c1ccc(F)c(F)c1F	587135635	KWLACDJDZSLAER-UHFFFAOYSA-N	381.339	2.335	0	1	GEAF	
O=C(NC[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)C1CCOCC1	587567982	AXKWOICYYKFQEO-MSOLQXFVSA-N	383.400	2.265	0	1	GEAF	
N[C@@H](Cc1cccc(Br)c1)c1nc2ccc(S(N)(=O)=O)cc2[nH]1	586983451	COVOUJWRJFMAAC-LBPRGKRZSA-N	395.282	2.215	0	1	GEAF	
O=C(CNC(=O)c1cnc2[nH]cc(-c3ccccc3)c2c1)NCCc1cnc[nH]1	1772602311	WBPPZTBAWSHFPE-UHFFFAOYSA-N	388.431	2.042	0	1	GEAF	
O=C(NC[C@@H]1CCCO1)C1CCN(C2CCN(Cc3ccco3)CC2)CC1	12475773	IUKXGQDUIIPEGP-IBGZPJMESA-N	375.513	2.251	0	3	GEAF	
CC(C)C[C@H](NC(=O)c1ccc([C@@H]2CCCO2)c(OCC2CC2)n1)C(N)=O	207731855	IHVNIYBPPRFFEB-IRXDYDNUSA-N	375.469	2.352	0	1	GEAF	
Cc1ccc(CN2CCN(CC(=O)NC[C@@H]3COc4ccccc4O3)C2=O)cc1	6728627	RJCHOKDWEZYNQS-GOSISDBHSA-N	395.459	2.189	0	1	GEAF	
CC(=O)[C@@H]1[C@@H](c2cccc(Br)c2)NC(=O)N[C@@]1(O)C(F)(F)F	12377530	CWAAEQZINSDVHP-FOGDFJRCSA-N	381.148	2.259	0	1	GEAF	
N[C@@]1(C(=O)O)[C@H](OCc2c(Cl)cccc2Cl)C[C@@H]2[C@H]1[C@@]2(F)C(=O)O	13582205	VZBCPNCHMOSDRD-JAGWWQSPSA-N	378.183	2.103	0	1	GEAF	
N[C@@H]1N=CNc2c(CN3C[C@@H](O)[C@@H](CSc4ccc(F)cc4)C3)c[nH]c21	28467097	AYPDSUHIVSYCNQ-CDHAZOANSA-N	375.473	2.150	0	1	GEAF	
CN(C)C[C@H]1CNC(=O)c2cc3ccc(C(=O)Nc4nccs4)cc3n2C1	29125750	KCLRWGHGJYQLSM-GFCCVEGCSA-N	383.477	2.271	0	1	GEAF	
COc1ccc([C@@H]2ON(C)[C@H](P(=O)(O)O)[C@H]2C(=O)c2ccccc2O)cc1	71318209	KXWJWGVSFONQTA-RYQLBKOJSA-N	393.332	2.322	0	1	GEAF	
CC(C)[C@@H](NC(=O)c1csc(-c2ccccc2)n1)C(=O)N1CCCNCC1	82070093	JLVXEZDQRZHQHR-QGZVFWFLSA-N	386.521	2.386	0	1	GEAF	
O=C(c1cccc(F)c1)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2C(=O)C1CC1	95668599	ZQONAOIAYAYYIJ-UXHICEINSA-N	394.446	2.417	0	1	GEAF	
COc1ccc2c3c(n(C)c2c1)[C@H](CO)NCC31CCN(C(=O)CC2CC2)CC1	95795970	UTZRBQYTIMLUEN-SFHVURJKSA-N	397.519	2.484	0	1	GEAF	
CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)O)O[C@H]1CO2	95888588	AQKQROKSGQSFNM-QRTARXTBSA-N	390.436	2.281	0	1	GEAF	
COCC(=O)[C@]1(O)CC[C@]2(O)[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C	95913690	WFPWYFYZMVDBSM-YYKYIQLUSA-N	378.509	2.372	0	1	GEAF	
CS(=O)(=O)N1[C@@H]2CN(CC3CC3)C[C@@H]1C2c1ccc(Br)cc1	100083251	KCHOPNGZKYIOHM-HUUCEWRRSA-N	385.327	2.271	0	1	GEAF	
COc1ccc(S(=O)(=O)N2CCN(C(=O)C[C@@H]3C[C@@H]4CC[C@@H]3C4)CC2)cc1	102383070	QRMGJWYOAAEHEU-ZACQAIPSSA-N	392.521	2.354	0	1	GEAF	
COC(=O)[C@@]12C[C@H]3C[C@H](C(C)=O)[C@@H]1N(CCc1c2[nH]c2cc(OC)ccc12)C3	135647208	DHNVEFDPJJFMQT-FORCCIAESA-N	382.460	2.443	0	1	GEAF	
Cc1cc(S(N)(=O)=O)ccc1NC(=O)c1cc(OC2CCCCC2)ncn1	144194959	DPIDYLNYCKEYQF-UHFFFAOYSA-N	390.465	2.396	0	1	GEAF	
O=C(NC[C@@H]1CCCO1)c1ccc(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@@H]3C=C[C@H]2C3)cc1	169299133	BHCOCGLYBMEHSY-YFUQURRKSA-N	384.432	2.057	0	1	GEAF	
O=C1CN(c2ccccc2Cl)CCN1C[C@@H](O)CN1CCc2ccccc2C1	209694588	SCOHWISZLDYORY-IBGZPJMESA-N	399.922	2.408	0	1	GEAF	
O=[n+]1[nH]c2c(I)cnn2c2cc(OCC3CC3)ccc21	377797787	BHOAVPPGQCUJOM-UHFFFAOYSA-N	383.169	2.124	0	1	GEAF	
CC(=O)c1ccc2nc(CCNS(=O)(=O)c3ccc(Cl)nc3)[nH]c2c1	586942451	LUKSZUNHTZZVFE-UHFFFAOYSA-N	378.841	2.335	0	1	GEAF	
CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2c(S)nc(S)nc2[nH]1	587194125	LZGJXVIZJBXSPC-QMMMGPOBSA-N	384.531	2.448	0	1	GEAF	
Cc1nc(N(C)C)ncc1-c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1	587194279	BRRTZZIIYISSTE-UHFFFAOYSA-N	376.424	2.454	0	1	GEAF	
COC(=O)C(=O)C[C@]1(c2cccc(OC)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	587444949	XNRDMSOFUXKWJM-OPAMFIHVSA-N	396.395	2.479	0	1	GEAF	
COC(=O)[C@@H]1C[C@@]2(CCN1C)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1	587582204	KQOJJRWCALYHET-XXHMAFKTSA-N	383.400	2.360	0	1	GEAF	
CN(Cc1ccccc1)[C@@H]1[C@H](CNCc2cccc(Cl)c2)O[C@H](CO)[C@H]1O	2356300360	UODNZUGCUYOBIQ-DOIPELPJSA-N	390.911	2.051	0	1	GEAF	
CC=C(C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(O)C[C@@H]2CCC[C@H](C(=O)OC)[C@@]21C	2356691737	VOOSWNHYYIUCGL-AAHJHJIOSA-N	392.448	2.426	0	1	GEAF	
CO/C(=C\C(=O)OCc1ccc2c(ccc(=O)n2C)c1)C1(OC)CCOCC1	27561478	USCIJKALYCYTNT-AQTBWJFISA-N	387.432	2.308	0	1	GEAF	
CS(=O)(=O)Nc1ccc(OC[C@@H](O)CNCCc2ccc(Cl)cc2)cc1	29330207	VMIBLDKZGHZFMI-KRWDZBQOSA-N	398.912	2.284	0	1	GEAF	
COc1ccc2nc(C)cc(NC(=O)CN3C[C@H](CN4CCCC4)OC3=O)c2c1	72119818	AXMHXKGKRKVHJQ-INIZCTEOSA-N	398.463	2.407	0	1	GEAF	
COc1ccc2nccc([C@@H](c3nnnn3C(C)(C)C)N3CCN(C)CC3)c2c1	84733098	BYLGZIMWJBQUKH-IBGZPJMESA-N	395.511	2.322	0	1	GEAF	
C/C=C/c1ccc([C@@H]2[C@H](CO)N(Cc3cncnc3)C23CN(C(=O)CC)C3)cc1	95794035	CMQYRAVPWCNKEL-DLUCKESKSA-N	392.503	2.461	0	1	GEAF	
CC(=O)N1CCN(C(=S)SCc2cn(Cc3ccc(C)cc3)nn2)CC1	96285715	GBRIUXUSCQCNFY-UHFFFAOYSA-N	389.550	2.317	0	1	GEAF	
COc1cccc(OCCN2CCN(C(=O)c3nc4ccccc4[nH]3)CC2)c1	205944163	USIXSLYEMNSLPV-UHFFFAOYSA-N	380.448	2.408	0	1	GEAF	
N[C@@H]1NC=Nc2c(CN3C[C@H](O)[C@H](CSc4cccc(Cl)c4)C3)c[nH]c21	261072688	AJIYTACJJDEROQ-XLWVJDPXSA-N	391.928	2.473	0	1	GEAF	
Oc1nc(O)c(I)c(-c2nc3cc(Cl)cnc3[nH]2)n1	587182428	ONWLBDSXRAGFHH-UHFFFAOYSA-N	389.540	2.084	0	1	GEAF	
COc1cc2c3c(c1)O[C@@]1(CN(Cc4ccccc4)C[C@@H]1C(=O)O)[C@@H](C2)C3=O	587438707	QRODMCUBSZITHQ-JKSBSHDWSA-N	379.412	2.398	0	1	GEAF	
O=C(NN1C[C@@H]2C=CC[C@@H](C(=O)N3CCCC3)[C@H]2C1=O)OCc1ccccc1	653873842	ZHDSZMWXMOUUBN-KSZLIROESA-N	383.448	2.101	0	1	GEAF	
COc1cccc(C(=O)NCCN2CCC(n3c(=O)[nH]c4ccccc43)CC2)c1	146576046	BZERHXFCUPUBMX-UHFFFAOYSA-N	394.475	2.405	0	3	GEAF	
Cc1cc(=O)c2c(O)c3c(c([C@H](O)[C@@H](O)C(C)(C)O)c2o1)OC(C)(C)C=C3	14511596	YRDMYIZMXKJVCI-MAUKXSAKSA-N	376.405	2.156	0	1	GEAF	
O=C(N[C@H](Cc1cnc[nH]1)C(=O)O)c1c[nH]c2cc(Br)ccc12	14517392	FZDXEGZWBPGVQB-CYBMUJFWSA-N	377.198	2.079	0	1	GEAF	biogenic
COC(=O)[C@@]1(C)N[C@H](c2ccc(O)cc2)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21	19210538	BXNIWTHCKAVZLL-FBAVSBLXSA-N	394.427	2.082	0	1	GEAF	
CS(=O)(=O)c1cc2[nH]c(=O)c(=O)n(C3CCCCC3)c2cc1-n1cccc1	26724657	CBKAIBUEMHHLDM-UHFFFAOYSA-N	387.461	2.389	0	1	GEAF	
COC(=O)[C@@H]1C[C@H](O)C(=O)[C@H]2[C@@]3(C)C[C@@H](c4ccoc4)OC(=O)[C@H]3CC[C@@]12C	28521933	BLTMVAIOAAGYAR-LPZGTBCZSA-N	390.432	2.429	0	1	GEAF	
COc1cc([C@H]2[C@@H]3C(=O)N(C)C(=O)[C@@H]3ON2C)ccc1OCc1ccccc1	28647526	VTPMLOWKFNLFAS-GBESFXJTSA-N	382.416	2.176	0	1	GEAF	
C=Cc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)cc1	72178255	YMMIWXZJAOYEHL-ADAARDCZSA-N	390.863	2.089	0	1	GEAF	
CC(=O)NCSC[C@H](CO)NC(=O)c1csc(-c2ccc(Cl)cc2)n1	82084116	DHNBEKWMNQBVSA-ZDUSSCGKSA-N	399.925	2.381	0	1	GEAF	
CCC(=O)N1[C@H](CO)[C@H](c2ccc(-c3ccccc3)cc2)[C@@H]1CNC(=O)COC	95894991	NZQVWEYIOJOZRO-MIZPHKNDSA-N	396.487	2.182	0	1	GEAF	
O=C(Nc1ccccc1F)N[C@H]1C=C[C@@H](CC(=O)N2CCCCC2)O[C@H]1CO	95906440	DLOREXMLRXXTRO-WBAXXEDZSA-N	391.443	2.034	0	1	GEAF	
CN(C)c1ccc(-c2cn3c(=O)c4ncn([C@H]5C=C[C@@H](CO)C5)c4nc3[nH]2)cc1	101882678	UGOAUWFZRPNVCG-CJNGLKHVSA-N	390.447	2.215	0	1	GEAF	
COc1ccc([C@H]2C3=C(COC3=O)N(CCO)c3cc4c(cc32)OCO4)cc1	199659963	ZJJKVUMNGOOQLE-LJQANCHMSA-N	381.384	2.179	0	1	GEAF	
CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cnnc(O)c2[nH]1	586937224	LFEGJFUZQVTIIQ-LBPRGKRZSA-N	381.845	2.388	0	1	GEAF	
Cc1cc2c(cc1O)[C@@H](c1cnc(N)c(Br)c1)N[C@H](C(=O)O)C2	963556357	XBVHMQCHSQOWRH-GXTWGEPZSA-N	378.226	2.129	0	1	GEAF	
CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc([C@@H](O)CN2CCCCC2)c1	1772597816	PZBKLDOCHSGKAP-KRWDZBQOSA-N	379.457	2.327	0	1	GEAF	
C[C@@H](NC(=O)Nc1cc2[nH]nc(OC[C@H]3CCC(=O)N3)c2cn1)c1ccccc1	1772611856	OPEHPDBZMKVXGE-TZMCWYRMSA-N	394.435	2.498	0	1	GEAF	
Cn1nnnc1-c1ccc(N2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1	1772615688	RRVUWWJIDYBRPH-UHFFFAOYSA-N	382.855	2.493	0	1	GEAF	
COc1ccc(S(=O)(=O)N2C(=O)NC(=O)[C@]23CCCc2ccccc23)cc1	1857572054	DIHIUCLQDJDRLO-LJQANCHMSA-N	386.429	2.168	0	1	GEAF	
CCC(CC)N1CCC(NC(=O)c2nc3c(C(N)=O)cc(F)cc3[nH]2)CC1	1857743935	VRAZANPLLZKQMS-UHFFFAOYSA-N	375.448	2.184	0	1	GEAF	
CCNc1ncc2nc(-c3ccc(OC)cc3)c(=O)n(C[C@H]3CCCO3)c2n1	4239155	HGUKTKACMSNZLG-OAHLLOKOSA-N	381.436	2.473	0	1	GEAF	
CC(C)[C@@H](C(=O)OCC(=O)c1ccccc1)N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O	13151912	SUAQGZZDRBYGMI-PTIUUAQKSA-N	381.428	2.244	0	1	GEAF	
CC[C@]12C=CCN3CCc4c(n(c5cc(OC)c(O)cc45)[C@@](O)(C(=O)OC)C1)[C@H]32	14829349	UWXGHIWLXTUDQM-BVSLBCMMSA-N	398.459	2.443	0	1	GEAF	biogenic
CCCCOc1ccc2c(c1)n1ncc(I)c1n[n+]2[O-]	28649553	RFDJRHHHHQEMEB-UHFFFAOYSA-N	384.177	2.299	0	1	GEAF	
N=C(N)NCCC[C@@H]1NC(=O)c2ccc(Cl)cc2N(Cc2ccccc2)C1=O	29133408	CWVXKDNUHVPLLR-INIZCTEOSA-N	399.882	2.248	0	1	GEAF	
CCCCCCOC(=O)[C@H](CCCCN1C(=O)CCC1=O)N1CCOCC1	64559522	FJIMUJSPZBDJFJ-KRWDZBQOSA-N	382.501	2.130	0	1	GEAF	
COc1ccc2nc(C)cc(NC(=O)CN3C[C@@H](CNC4CC4)OC3=O)c2c1	72119858	OSTUZQMHWUFUCP-OAHLLOKOSA-N	384.436	2.063	0	1	GEAF	
CCOC(=O)[C@]1(C)N[C@@H](c2ccco2)[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21	169293925	LYSRIABXKOSRJF-PZTGFMGMSA-N	382.416	2.360	0	1	GEAF	
CNc1cc(C(=O)O)nc2c(-c3cccc(F)c3O)nc(N3CCOCC3)nc12	169698810	PSAXTLIIVKPDCJ-UHFFFAOYSA-N	399.382	2.113	0	1	GEAF	
O=C(NCc1ccccc1)[C@@H]1[C@H]2C=C[C@@]3(CN(Cc4cccs4)C(=O)[C@H]13)O2	250644031	IILVDRCTCCJXCW-WIRSXHRWSA-N	380.469	2.347	0	1	GEAF	
CC[C@H](C(=O)N1CCN(c2ccc(C(F)(F)F)cc2)CC1)N1C(=O)CCC1=O	473130433	KQYZGQRARZJXRQ-OAHLLOKOSA-N	397.397	2.282	0	1	GEAF	
COC(=O)CC[C@H](N)c1nc2c(I)cnc(Cl)c2[nH]1	587259688	LPWOZEZCFOYXIW-LURJTMIESA-N	394.600	2.169	0	1	GEAF	
C=CN1CC[C@@H]([C@@]2(c3cnccn3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C1=O	587438178	NGLUKRQBPRWAAM-VTJXTGGHSA-N	377.400	2.120	0	1	GEAF	
O=C(N[C@H]1C[C@H](C(F)(F)F)CNC1=O)c1nn(-c2ccccc2)c2c1CCC2	618014029	KRKBKLQTTSUTLY-FZMZJTMJSA-N	392.381	2.158	0	1	GEAF	
CCCC(C)(C)N1CCc2c(-c3cnc(N)nc3)nc(N3CCOCC3)nc21	1772589938	ULUFMHJLXINQBD-UHFFFAOYSA-N	383.500	2.294	0	1	GEAF	
Cc1nc(NC(=O)N[C@@H](c2ccccc2)C(C)(C)O)cc2[nH]nc(OCCO)c12	1772648058	DNGXLLFATVFQBG-KRWDZBQOSA-N	399.451	2.271	0	1	GEAF	
Cc1nc2cc(C)c3c(N)c(C(=O)N[C@H]4Cc5cccnc5C4)sc3n2n1	1857587801	CSTDXDYOBCJEQX-LBPRGKRZSA-N	378.461	2.435	0	1	GEAF	
COC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(NCc2ccc(O)cc2)cc1	1857632800	YFPIRUBNFHOBCJ-SFHVURJKSA-N	390.461	2.330	0	1	GEAF	
C[C@]1(CCC(=O)O)C2=C(CC(=O)[C@@H]1[C@H](O)CO)[C@@H]1CC[C@@H](C(=O)O)[C@]1(C)CC2	2356325777	ZWUWJKRACXICAP-HQFCTWMASA-N	394.464	2.007	0	1	GEAF	
C[C@]12[C@@H](O)C[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(C3=CC(=O)OC3)=CC[C@]12O	2356399479	WRKFAUIZIHPQGB-ITZZKQEWSA-N	388.504	2.495	0	1	GEAF	
CSCCCNC(=O)Cn1nc(Cc2ccncc2)c2ccccc2c1=O	201442131	LCITWEZDEYRGCI-UHFFFAOYSA-N	382.489	2.252	0	3	GEAF	
N[C@@]1(C(=O)O)[C@H](OCc2ccccc2-c2ccccc2)C[C@@H]2[C@H]1[C@@]2(F)C(=O)O	13582162	PQQUZBSXONTSIT-ZUKOONMSSA-N	385.391	2.464	0	1	GEAF	
CCCCCC[C@H](NC(=O)c1ccc(/C=C/C(=O)O)cc1)C(=O)NCC(=O)O	26747931	HSRYIADSGUXYNL-YHVDPYDOSA-N	390.436	2.054	0	1	GEAF	
COc1ccc2c(c1)NC(=O)[C@@]21CCN2C[C@H]3[C@H](C)OC=C(OC(C)=O)[C@H]3C[C@@H]21	33829803	GFBRPLWLNZPYAL-LVSKTSOBSA-N	398.459	2.419	0	1	GEAF	biogenic,in-vitro
CCCCCCOC(=O)[C@@H](CCCCN1C(=O)CCC1=O)N1CCOCC1	64559521	FJIMUJSPZBDJFJ-QGZVFWFLSA-N	382.501	2.130	0	1	GEAF	
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3nccn3c2)c1F	84654398	RGRRNMXEQHTJBZ-UHFFFAOYSA-N	395.391	2.412	0	1	GEAF	
CS(=O)(=O)c1ccc(-c2ccc3c(NC4CC4)c(C(N)=O)nnc3c2)cc1	95590516	VGVBLDHBHNVQGA-UHFFFAOYSA-N	382.445	2.374	0	1	GEAF	
CNC(=O)/C=C1/COc2c1ccc(OS(=O)(=O)c1ccc(OC)cc1)c2C	101662723	SCUFBOFSKIKNEI-RAXLEYEMSA-N	389.429	2.293	0	1	GEAF	
COc1c2c(cc3c1[C@@H]1[C@@H](c4ccc5c(c4CN1C)OCO5)[C@@H](O)C3)OCO2	238745344	FYMTWGUKLAVFLL-DOPJRALCSA-N	383.400	2.340	0	1	GEAF	
O=C(NCc1nnc2n1[C@H](C(=O)NC1CC1)CC2)c1ccc(Cl)cc1Cl	299852853	YGJHDBIJYZAQKB-ZDUSSCGKSA-N	394.262	2.281	0	1	GEAF	
COc1ccc(S(=O)(=O)N[C@H](c2nc3cc(C)c(F)cc3[nH]2)[C@@H](C)O)cc1	586937850	OARATWZKNWPNNC-DIFFPNOSSA-N	393.440	2.419	0	1	GEAF	
O=C(Cc1sc(O)nc1O)c1c(CO)oc2cc(Br)cnc12	587276989	YKJZDSHFJRCEPF-UHFFFAOYSA-N	385.195	2.376	0	1	GEAF	
C[C@H](NC(=O)c1cc(-c2ccccc2)nn1C)c1ccc(S(N)(=O)=O)cc1	1645779785	CEQGIEBPVIOKCG-ZDUSSCGKSA-N	384.461	2.226	0	1	GEAF	
O=C(c1nsc2cc(N=c3[nH][nH]c4cccnc34)ccc12)N1CCOCC1	1857546911	LXEMPAJBQZSAJB-UHFFFAOYSA-N	380.433	2.206	0	1	GEAF	
N=c1[nH]cnc2c3c(n(-c4ccc(CC(=O)NC5CCOCC5)cc4)c12)CCC3	1857611521	OXKZPIWHTVLFTK-UHFFFAOYSA-N	391.475	2.159	0	1	GEAF	
COc1cc(O)cc([C@@H]2O[C@H](c3ccc(O)c(OC)c3)[C@H](CO)[C@H]2CO)c1	2356506325	JUDXJGZHVSKZFH-SMOSDQRPSA-N	376.405	2.145	0	1	GEAF	
O=C(NC[C@@H]1CCCO1)c1ccc(CS(=O)(=O)Cc2ccc(F)cc2)o1	4101952	DMOZHKAXMRNTJJ-HNNXBMFYSA-N	381.425	2.443	0	3	GEAF	
OC[C@H]1O[C@@H](n2cnc3c(NC4CCCCCC4)nc(Cl)nc32)C[C@@H]1O	6585597	JOAYOCQYPAGDGT-YNEHKIRRSA-N	381.864	2.255	0	1	GEAF	
O=C1NC(=O)C(c2cn3c4c(cccc24)CNCC3)=C1c1cccc2c1OCC2	28132383	KLFHGYKHZZHOKY-UHFFFAOYSA-N	385.423	2.247	0	1	GEAF	
CSc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](COC(=O)c2ccccc2)O1	28865102	POAHGNSRBRKWBU-BFHYXJOUSA-N	386.433	2.054	0	1	GEAF	
O=C(NCCCOc1ccc2[nH]c(=O)ccc2c1)N(C1CC1)[C@@H]1CCC[C@H]1O	29246781	NUDUCLXTRPTVHE-RTBURBONSA-N	385.464	2.384	0	1	GEAF	
Cn1cc(-c2ccc3c(c2)N(C2=N[C@@H]4CC(C)(C)NC(=O)[C@@H]4S2)CCO3)cn1	95564458	JYDJBPGMWFAOJP-RHSMWYFYSA-N	397.504	2.424	0	1	GEAF	
CCS[C@@]12O[C@@]3(CCCCCN3C1=O)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@H]12	102964828	KEAQETBYJBOAGZ-HZVDNRATSA-N	386.473	2.384	0	1	GEAF	
Cn1cnc(C(=O)NCCCCc2ccc3c(n2)n(C)c(=O)n3CC(C)(C)C)c1	145237735	CGLMRXSTGOMRJD-UHFFFAOYSA-N	398.511	2.267	0	1	GEAF	
Cc1ccc(CN(C(=O)C[C@@H]2C(=O)N[C@H](c3ccccn3)N[C@@H]2C)C2CC2)o1	618014315	REYIQNXYHDRVNV-CFLQYTFWSA-N	382.464	2.287	0	1	GEAF	
C[C@H]1C[C@H]2CSC(=N)N[C@]2(c2nc(NC(=O)c3ccncn3)cs2)CO1	1772585499	PXWFEBPIVDFJNU-XQJJYNOISA-N	390.494	2.077	0	1	GEAF	
CCNC(=O)C1=CCN(C(=O)c2ccc(N3CCOCC3)c(F)c2)[C@@H]1C(C)C	1772655784	HLKSIIXMMBLNIL-LJQANCHMSA-N	389.471	2.205	0	1	GEAF	
CN(CCc1ccccn1)C[C@@H]1CN2CC[C@H]1C[C@H]2CNC(=O)c1ccco1	2356742142	VZVBPKHDCHCPJY-NSHGMRRFSA-N	382.508	2.289	0	1	GEAF	
COc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)NCCC1=CCCCC1	11813344	YOGQPJCRUPOHMS-LJQANCHMSA-N	385.508	2.392	0	3	GEAF	
CSc1ccccc1OCc1cc(C(=O)N(C)C[C@H]2COCCO2)no1	12747920	GHIBJXJVGKCLIU-AWEZNQCLSA-N	378.450	2.463	0	3	GEAF	
CC(=O)NCCC(=O)NCC1(N(C)Cc2ccccc2)Cc2ccccc2C1	20912209	DILTWEIJVYRFMT-UHFFFAOYSA-N	379.504	2.298	0	3	GEAF	
COc1ccc(NC(=O)[C@H]2C(=O)N(CCO)[C@@]3(C)C[C@H]2c2ccccc2O3)cc1	102978847	GAZFRBHNVWRJFX-LQBOVUBWSA-N	396.443	2.367	0	3	GEAF	
COc1ccc([C@@H]2[C@@H](C(=O)c3ccccc3)C(=O)C(=O)N2CCCO)cc1OC	2290627	PUDZPVISVAXWTJ-RBUKOAKNSA-N	397.427	2.038	0	1	GEAF	
O=C(O)[C@@H](Cc1ccc2c(c1)OCO2)[C@H](Cc1ccc2c(c1)OCO2)C(=O)O	12501665	FFYBYVPVYLMLAR-KBPBESRZSA-N	386.356	2.331	0	1	GEAF	in-vivo
COCCCn1cc(C2=C(c3ccccc3O)C(=O)NC2=O)c2cccnc21	26968370	DZVIVYUYURSYNH-UHFFFAOYSA-N	377.400	2.346	0	1	GEAF	
CCCOP(=O)(OCCC)OC[C@H]1C=C[C@@H](n2cc(C)c(=O)[nH]c2=O)O1	28226731	GAOCQDXSOXDCAW-KGLIPLIRSA-N	388.357	2.277	0	1	GEAF	
O=C(O)C[C@@H](NC(=O)CCC(=O)Nc1ccc2c(c1)CNC2)c1ccccc1	28383892	DBOQCKFLGLRZBD-GOSISDBHSA-N	381.432	2.341	0	1	GEAF	
CS(=O)(=O)NC1CCN(Cc2ccc3c(c2)Nc2nccnc2S3)CC1	36400443	LGVGRKPVNBWEHE-UHFFFAOYSA-N	391.522	2.198	0	1	GEAF	
CCN(CC)S(=O)(=O)N[C@@H]1C[C@@H]2c3cccc4[nH]cc(c34)C[C@@H]2N(C)C1	40163089	YHEIHLVIKSTGJE-KYJSFNMBSA-N	376.526	2.057	0	1	GEAF	biogenic
COc1cccc(CNC(=O)[C@H]2CNCCN2C(=O)CCCc2ccccc2)c1	45324156	PRMXDYNAXMWVCY-OAQYLSRUSA-N	395.503	2.135	0	1	GEAF	
COc1cc(-c2cnc(N)c(N3CCC(C(=O)O)CC3)n2)cc(OC)c1OC	58660889	FFHSQDAETWTILU-UHFFFAOYSA-N	388.424	2.053	0	1	GEAF	in-vitro
O=C(c1ccccn1)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)CC1CC1	95894155	NVUGYHXQYKKVPN-SBHAEUEKSA-N	377.444	2.197	0	1	GEAF	
O=C(NN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@@H]34)[C@H]2C1=O)c1ccc(Br)cc1	169354803	QRWZSMGXNJSJBA-LACSLYJWSA-N	387.233	2.147	0	1	GEAF	
OC[C@@H]1[C@@H](O)[C@@H](O)[C@@H](O)c2nc(CCCc3ccc(-c4ccccc4)cc3)cn21	169697547	JYUBGYMPVKAJEH-GXRSIYKFSA-N	394.471	2.028	0	1	GEAF	
COc1cc2nc(=S)n(CCN3CCOCC3)c(O)c2cc1-c1cnco1	261126899	KJASOHSUKGYPAZ-UHFFFAOYSA-N	388.449	2.467	0	1	GEAF	
COc1ccc2c(C)c(CCc3nc4c(O)nc(O)nc4[nH]3)c(=O)oc2c1C	586917723	FRLQBTYDEMYXMT-UHFFFAOYSA-N	382.376	2.281	0	1	GEAF	
O=S(=O)(NCc1nc2ccc3ncccc3c2[nH]1)c1ccc2c(c1)OCCO2	586941808	OKMJNFUOCGYMRX-UHFFFAOYSA-N	396.428	2.361	0	1	GEAF	
CCOC(=O)CCOCCCOCCc1nc2ccc(C(=O)N(C)C)cc2[nH]1	587568463	LZFJNGKSKUPLQT-UHFFFAOYSA-N	391.468	2.184	0	1	GEAF	
CC[C@H](C(=O)N1CCN(c2cccc(Cl)c2)CC1)N1C(=O)C[C@H](C)C1=O	653788963	KPLLWJAAXAZXAD-XJKSGUPXSA-N	377.872	2.162	0	1	GEAF	
C=CC(=O)N1CC([C@@H]2CCNc3c(C(N)=O)c(-c4ccc(Cl)cc4)nn32)C1	1772570462	YFZVWHYXWAUAJG-AWEZNQCLSA-N	385.855	2.304	0	1	GEAF	
CC=C1CN2[C@H]3C[C@@]45c6cc(OC)c(OC)cc6N[C@@]4(O3)[C@H]2C[C@H]1[C@H]5C(=O)OC	2356567936	CRKDVBVOAIRDNW-OQSMSRJHSA-N	398.459	2.263	0	1	GEAF	
CC[C@H]1C[C@H]2C[C@@]3(C(=O)OC)c4[nH]c5cc(OC)ccc5c4[C@@H](O)CN(C2=O)[C@@H]13	2356785237	SALCHJKMWLNFPY-WDSRGEOJSA-N	398.459	2.281	0	1	GEAF	
Cc1nnc(NC(=O)c2ccc(S(=O)(=O)N3CCc4ccccc4C3)cc2)o1	2720261	LOLNXYLYAAHIGH-UHFFFAOYSA-N	398.444	2.377	0	3	GEAF	
Cc1c(N2C[C@H](CF)[C@@H](N)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12	6520962	AADYLSNYLTUYNV-NHYWBVRUSA-N	377.391	2.056	0	1	GEAF	
CCc1cc(Nc2cc(=O)n(CCCCNC(=O)C3CC3)c(=O)[nH]2)ccc1C	13674993	RTHLMFBQWDEGPL-UHFFFAOYSA-N	384.480	2.457	0	1	GEAF	
Cc1ccc(CNCC2(F)CCN(C(=O)c3ccc4[nH]nnc4c3)CC2)nc1	64548973	PHGUOFZVDRYDBE-UHFFFAOYSA-N	382.443	2.395	0	1	GEAF	
Ic1ncc2nnn(Cc3ccc4ncccc4c3)c2n1	139851286	KDKOLRHPOXNTHI-UHFFFAOYSA-N	388.172	2.422	0	1	GEAF	
Cc1nc2cccnc2n2c(-c3cc(O[C@@H]4COC[C@@H]4O)ccc3Cl)nnc12	145732950	GBEHIERNTCEIGH-JKSUJKDBSA-N	397.822	2.440	0	1	GEAF	
Nc1cnc(-c2ccc(C3CCC3)c(OC[C@@H](O)Cn3ccnn3)c2F)cn1	224584190	UKYQDDQZFDMPCG-ZDUSSCGKSA-N	384.415	2.164	0	1	GEAF	
COC(=O)[C@]12C[C@@H]3CN(CCc4c1[nH]c1ccc(OC)cc41)[C@H]2C[C@H]3[C@H](C)O	238763899	RGMOJRSLENXIRX-PPSOUBGQSA-N	384.476	2.235	0	1	GEAF	
O=CN(O)C[C@@H](CC1CCCC1)C(=O)N1CC=C[C@H]1C(=O)Nc1ccccc1	299823134	DITVLBLWQGKAEM-MJGOQNOKSA-N	385.464	2.436	0	1	GEAF	
CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2cccc(S(N)(=O)=O)c2[nH]1	587232698	ABEYIQHYUHROOV-QWRGUYRKSA-N	380.470	2.371	0	1	GEAF	
Cc1ccc(-c2nn(CCN3CCC(N(C)C)CC3)c3ncnc(N)c23)cc1	653905218	QZCWPDPWSBOTEU-UHFFFAOYSA-N	379.512	2.410	0	1	GEAF	
Cc1c2c(nn1C)[C@@](CCCC(=O)O)(c1cc(F)cc(F)c1)N[C@@H](C(=O)O)C2	962703492	CCRQTZQQHSZEQH-DNVCBOLYSA-N	393.390	2.104	0	1	GEAF	
CC[C@@H]1OC(=O)[C@H](C)C(=O)[C@@]2(O)CO[C@@](OC)(C[C@H](C)CC(C)=C[C@]1(C)O)C2	2356644510	JLVZVGQWWZKQQV-GYIMTXAJSA-N	398.496	2.135	0	1	GEAF	
CCN(CC)c1nn2c(=O)c(C(=O)NCCc3ccccc3C)cnc2s1	8604343	XGNPIJLWPKSKFF-UHFFFAOYSA-N	385.493	2.278	0	1	GEAF	
COC(=O)[C@]1(c2ccc(Cl)cc2)C[C@@H]1CN1CCN(c2ncccn2)CC1	28604351	JSJZBMMECIILOT-UZLBHIALSA-N	386.883	2.383	0	1	GEAF	
CC(=O)NCCCCNC(=O)c1[nH]cc(C(=O)O[C@H]2C[C@H]3CC[C@@H]2C3)c1C	28817257	GKVZLYPVWDZDLN-UXLLHSPISA-N	375.469	2.315	0	1	GEAF	
Cc1ccccc1-c1nc(C(=O)N[C@@H](COCc2ccccc2)C(N)=O)co1	82074447	FXHBIXFFQXNQBU-KRWDZBQOSA-N	379.416	2.451	0	1	GEAF	
COc1cc2nc(N3CC[C@@H](NC(C)=O)C3)nc(NCC(C)C)c2cc1OC	82128446	QJRSKJPWICOUSZ-CQSZACIVSA-N	387.484	2.430	0	1	GEAF	
CC(=O)N1CCN(c2ncc(C(=O)NCC3CC3)c(-c3ccccc3F)n2)CC1	82151774	YQVMAGFWZSNXEE-UHFFFAOYSA-N	397.454	2.091	0	1	GEAF	
COc1cccc(CNc2nc(N3CCC(C(N)=O)CC3)ncc2C)c1OC	82204262	XJJULFFTRHRDIJ-UHFFFAOYSA-N	385.468	2.116	0	1	GEAF	
CC[C@H]1[C@@H]2OC(=O)[C@@H](C)[C@@H]2C2=C3N(CCCC[C@@]31O)[C@H]([C@@H]1C[C@H](C)C(=O)O1)C2	103571220	FXLCCDTUQJLMJF-NHCUBNPASA-N	389.492	2.399	0	1	GEAF	biogenic,in-vitro
COc1ccc(OC)c(S(=O)(=O)Nc2cnn(Cc3c(C)noc3C)c2)c1	116674048	ITDHFNVCKQWOFG-UHFFFAOYSA-N	392.437	2.354	0	1	GEAF	
Cc1cc(F)ccc1[C@H]1CN(c2nc(-c3ccncc3)cc(=O)n2C)CCN1	116774425	XORGLZKNBDTFFI-LJQANCHMSA-N	379.439	2.441	0	1	GEAF	
O=C(Nc1ccc(C(=O)N2CCn3cnnc3C2)cc1)N1Cc2ccccc2C1	167613256	XVPYNLKFALXPDG-UHFFFAOYSA-N	388.431	2.482	0	1	GEAF	
O=c1n(CCN2CCN(c3cccc(C(F)(F)F)c3)CC2)c(O)c2n1CCC2	169714902	KTWHHFUQOHNBFT-UHFFFAOYSA-N	396.413	2.143	0	1	GEAF	
O=C(c1ccc(C2CCCC2)c(OCC2CC2)n1)N1CCS(=O)(=O)CC1	207728565	WPWPAMZVHZHHEP-UHFFFAOYSA-N	378.494	2.399	0	1	GEAF	
Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4c(O)nc(S)nc4[nH]3)cc12	587036805	ABTOJYUWAOXFGE-LURJTMIESA-N	389.466	2.095	0	1	GEAF	
COC(=O)[C@@H]1N2CCC(CC2)[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1	587587912	IRRXJIYEPOIUCZ-PIPMEXSNSA-N	395.411	2.360	0	1	GEAF	
COc1ccc(CN2C(=O)CO[C@@H]3CN(Cc4ccc5c(c4)OCO5)C[C@H]32)cc1	1204052247	GAACPTWXOHNSOE-WIYYLYMNSA-N	396.443	2.036	0	1	GEAF	biogenic
CC[C@@H]1CCCCN1C(=O)CSc1nnc(CNC(=O)c2ccco2)o1	4035013	SDLSEBFTXZMWGQ-GFCCVEGCSA-N	378.454	2.476	0	3	GEAF	
Cc1ccc(CCNS(=O)(=O)c2ccc3c(c2)NC(=O)[C@@H](C)C(=O)N3)cc1	6817173	BJPLLMUIWJCXCF-ZDUSSCGKSA-N	387.461	2.043	0	3	GEAF	
N=C(N)c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(C(=N)N)cc3)o2)cc1	1663225	MHHCPSVNHPUONM-UHFFFAOYSA-N	390.403	2.352	0	1	GEAF	
CCO[C@]12[C@@H]3CC(=O)N4c5ccccc5[C@@]5(CCN6CC(=CCO3)[C@H]1C[C@H]65)[C@H]42	2356427349	WZEMGGLCLHIQAS-CGBIMEHRSA-N	378.472	2.252	0	1	GEAF	
COCCNC(=O)CCC(=O)N1Cc2cccc(OC)c2Oc2ncccc21	6902147	MLYVAKHGUHKCBN-UHFFFAOYSA-N	385.420	2.272	0	1	GEAF	
COC(=O)[C@@H]1C[C@@]23C4=C(CC[C@@H]5CN6C[C@@H](C)[C@@H](C=C[C@@]52CO)[C@]63O)CC[C@@H]41	58522430	KJJSHRRLRCGALL-SNZIKGKMSA-N	385.504	2.101	0	1	GEAF	
Cc1nc(C)c(CN2CCOC[C@@H](Oc3ccc(S(C)(=O)=O)cc3)C2)s1	2356312141	CLKBBJMLEARRJH-INIZCTEOSA-N	396.534	2.443	0	1	GEAF	
COC(=O)[C@H](C)N1C/C=C\COc2c(Cl)cc(Cl)cc2S1(=O)=O	61944777	AIZYLVODENQYBT-TYRPZCRBSA-N	380.249	2.494	0	3	GEAF	
O=C(c1ccc(Cl)cc1)N1C[C@H]2COCCN2C2(C1)CN(C1CCCC1)C2	2356504689	BJUVOFIQRBGNLE-IBGZPJMESA-N	389.927	2.494	0	1	GEAF	
Nc1ccccc1C(=O)O[C@@H]1CCN2C[C@H]3C[C@@H](CN4C(=O)CCC[C@@H]34)[C@@H]2C1	2356690160	OEPJRGZBPIEMEZ-VKSPVCMPSA-N	383.492	2.289	0	1	GEAF	
O=C1c2c(cccc2OC[C@H](O)CN2CCOCC2)C[C@@H]1Cc1ccccc1	96941789	LJKVDKFNEQETJU-VQTJNVASSA-N	381.472	2.356	0	1	GEAF	
COCC(=O)NC[C@@H]1[C@H](c2ccc(C3=CCCC3)cc2)[C@H](CO)N1C(=O)C1CC1	95895882	QFILKHAMRPHMJJ-URVUXULASA-N	398.503	2.082	0	1	GEAF	
C/C=C/CC(=O)O[C@H](c1cc2ccc(=O)oc2cc1OC)[C@H](O)C(C)(C)O	238736691	ISUIJLNCTODZEL-YSKLNCTFSA-N	376.405	2.484	0	1	GEAF	
CCOC(=O)Nc1ccc(C(=O)NCc2nc3ccc(C(=O)OC)nc3[nH]2)cc1	587228898	TUINVGBSMCYYRC-UHFFFAOYSA-N	397.391	2.243	0	1	GEAF	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CC[C@H]1[C@H]2CN[C@H]1C(=O)O	587598969	ZFGGRGLGMSUZFK-CMEDOSNHSA-N	381.384	2.175	0	1	GEAF	
COC(=O)[C@@H]1SCC[C@]12N[C@@H](C(=O)O)Cc1c(C(F)(F)F)cc(F)cc12	962704125	UIPHOFCDUQQVRK-TYNCELHUSA-N	393.358	2.317	0	1	GEAF	
CCOC(=O)[C@]1(c2ccccn2)N[C@@H](C(=O)O)Cc2c1cnc1ccccc21	963223495	AZHKALCIYRGFFZ-UTKZUKDTSA-N	377.400	2.035	0	1	GEAF	
COc1ccnc(C[S@](=O)c2nc3cc(C(O)(F)F)ccc3[nH]2)c1OC	12475020	KCMSEEZLARPCQN-AREMUKBSSA-N	383.376	2.325	0	3	GEAF	
Cc1ccccc1N1CCN(CCCCN2CC(=O)N3CCCC[C@H]3C2=O)CC1	13861502	ACBRSXOTZHFOPE-NRFANRHFSA-N	398.551	2.121	0	1	GEAF	
Cc1nc(C(=O)N[C@H](C)C(=O)NC[C@H]2CCCO2)cc2c1[nH]c1ccccc12	15968201	ZEDCMXOASNGPMT-ZIAGYGMSSA-N	380.448	2.438	0	1	GEAF	biogenic
Cc1nc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)nnc2C(N)=O)ccc1Cl	169308321	RPLRVRTUXULVOV-NWDGAFQWSA-N	375.864	2.358	0	1	GEAF	
O=C1NC(=O)[C@@]2(CC[C@H]3[C@H]4Cc5ccc(O)cc5[C@@]3(CCN4CC3CC3)C2)N1	207127036	DNESVBVDIIHDKK-REIYTJMXSA-N	381.476	2.049	0	1	GEAF	
CC(=O)N[C@@H]1CCN(c2ccc3nc(O)c(Cc4ccc(F)cc4)nc3n2)C1	2500243	WEIFDWMQARGLBX-OAHLLOKOSA-N	381.411	2.175	0	1	GEAF	
Cc1cc(=O)n2nc(N3CCC[C@@H](C(=O)N[C@@H]4CCCC[C@@H]4C)C3)sc2n1	5149112	AZWJXIVYDKJMKF-NWANDNLSSA-N	389.525	2.371	0	1	GEAF	
N[C@H](C(=O)N1CCCC1)[C@H]1CC[C@H](NC(=O)c2cncc3ccccc23)CC1	103225849	ZYVUFELPRWRHOR-VPWXQRGCSA-N	380.492	2.473	0	1	GEAF	
COc1ncc(Nc2ncc(C(C)(C)N)cc2-c2nc(C)nc(N)n2)cc1F	113153746	RVOUZTALUKTJSX-UHFFFAOYSA-N	384.419	2.304	0	1	GEAF	
COc1cccc([C@H]2CN(c3nc(-c4ccncc4)cc(=O)n3C)CCN2)c1	116772927	BOVSPBWFWORURG-LJQANCHMSA-N	377.448	2.002	0	1	GEAF	
C/C=C1/CN2CC[C@@]34c5ccccc5N[C@H]3[C@@H]2C[C@@H]1[C@@]4(COC(C)=O)C(=O)OC	238753112	FLECFYMISGFZLH-ROYUNBDFSA-N	396.487	2.495	0	1	GEAF	
CC(=O)C[C@@H]1C(=O)[C@](O)(CO)[C@@H]2CC[C@@](C)(C2)[C@H]1/C=C/OC(=O)C=C(C)C	238784717	VSXXXICJCOSCLJ-UFTNWYTQSA-N	378.465	2.334	0	1	GEAF	
O=S(=O)(NC[C@H]1CCCO1)c1ccc(-c2nc3ncc(F)cc3[nH]2)cc1	586947267	VJTFSTYLUBXHCR-CYBMUJFWSA-N	376.413	2.221	0	1	GEAF	
Cc1nn(C)c(C)c1[C@]1(C(N)=O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	587579238	CQDVNSHKSRKSMC-UWJYYQICSA-N	393.399	2.085	0	1	GEAF	
Cn1cc([C@]2(CN3CCNCC3)NCCc3c(Cl)cc(Cl)cc32)cn1	963105351	IOQSFERHFCRKQY-SFHVURJKSA-N	380.323	2.021	0	1	GEAF	
O=C(NC1CCCCC1)c1nc2n(Cc3ccccc3Cl)[nH]nc-2c(=O)n1	103956255	VTQDYSRQIMENFG-UHFFFAOYSA-N	386.843	2.230	0	3	GEAF	
Nc1c(C(=O)NCCc2ccccc2)nnn1CC(=O)Nc1ccc(Cl)cc1	6999861	QOSGBXSRZMBUJW-UHFFFAOYSA-N	398.854	2.125	0	1	GEAF	
CC(C)[C@@H](NS(=O)(=O)c1ccc(NC(=O)c2ccccc2)cc1)C(=O)O	13778453	NLDJVWRAKUUGKI-MRXNPFEDSA-N	376.434	2.326	0	1	GEAF	
Cc1cccc(NC(=S)N[C@H]2CCCCN(CC(=O)N3CCCC3)C2=O)c1	28530127	ROBFJTHBLVFFRU-KRWDZBQOSA-N	388.537	2.285	0	1	GEAF	
O=C(Nc1ccccc1)N[C@@H]1CO[C@@H]2[C@@H](OC(=O)NC3CCCCC3)CO[C@@H]21	36361316	IIGRHNPQMJIXBL-XMTFNYHQSA-N	389.452	2.402	0	1	GEAF	biogenic
CC(=O)N(C)C[C@@H]1[C@@H](c2ccc(-c3cccnc3)cc2)[C@H](CO)N1C(=O)C1CC1	95895717	FDVJJZIWDWLSSN-BHIFYINESA-N	393.487	2.292	0	1	GEAF	
CC(=O)Nc1cccc(CNc2c(Nc3ccc4[nH]ncc4c3)c(=O)c2=O)c1	102982134	SHENEEFOURUIBP-UHFFFAOYSA-N	375.388	2.473	0	1	GEAF	
CCCC[C@]1(Cc2cc(OC)c(OC)c(OC)c2)C(=N)NC(=S)NC1=O	103203590	GHDWNRYZRUDACD-SFHVURJKSA-N	379.482	2.413	0	1	GEAF	
O=C([C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O)N1CCCCC1	169305536	IDCWDQHGUQYPDN-LJDSDSDDSA-N	378.472	2.417	0	1	GEAF	
COC(=O)[C@@]1(CO)C[C@]23CCCN4CC[C@]5(c6ccccc6N(C)[C@@]15CC2)[C@H]43	238759866	DLVUJHTUTZGNKC-PMAMDCHESA-N	382.504	2.317	0	1	GEAF	
CN(C)S(=O)(=O)c1cccc2nc(CSc3ncccc3C(=O)O)[nH]c12	586967765	DJSYVDMIJSDHOB-UHFFFAOYSA-N	392.462	2.199	0	1	GEAF	
CN1C(=O)C=C(N2CCC[C@H]2C(=O)Nc2ccc(-c3nccs3)cc2)C1=O	1772654091	VBAGNFROSQSPET-AWEZNQCLSA-N	382.445	2.096	0	1	GEAF	
COC(=O)c1ccc2c(c1)NC(=O)CN2Cc1cc(OC)c(OC)c(OC)c1	1857771026	YXFIBJDPFMECIR-UHFFFAOYSA-N	386.404	2.458	0	1	GEAF	
O=C1[C@H]2C[C@@H](CN2Cc2ncc[nH]2)Oc2ccccc2N1Cc1cccnc1	2356299018	RGWZTUYLSZVPIT-FUHWJXTLSA-N	375.432	2.373	0	1	GEAF	
COCCN1C(=O)[C@H]2C[C@@H](CN2Cc2ccc3c(c2)OCO3)Oc2ccccc21	2356302411	UVIZKBFFUXCCBT-FUHWJXTLSA-N	396.443	2.430	0	1	GEAF	
C[C@H](CCCCCCCC[C@H](O)CC(=O)O)O[C@@H]1O[C@H](C)[C@@H](O)C[C@H]1O	2356495007	ARJGFPSUJRWUSF-FTGINLBMSA-N	376.490	2.205	0	1	GEAF	
O=C1N=C(O)C2(C(=O)N1)[C@@H](c1cccs1)NC(=O)N[C@@H]2c1cccs1	2601913	OUEWNGCZNHFQJF-NXEZZACHSA-N	376.419	2.098	0	1	GEAF	
COc1ccc(C(=O)NCCN2Cc3cc(C)ccc3O[C@@H](C)C2)c(OC)n1	12047473	PLCPPCFDVSOWKS-HNNXBMFYSA-N	385.464	2.420	0	1	GEAF	
COc1cccc(N2CCN(Cc3ccc(CN4CCCC4=O)n3C)CC2)c1	13449377	CDWACFHXMBNTNJ-UHFFFAOYSA-N	382.508	2.478	0	1	GEAF	
CC(C)(C)NC(=O)NC[C@@H]1Cc2ccccc2CN1C(=O)NC[C@H]1CCCO1	13489665	OGGKHNKZMNJZRQ-ZWKOTPCHSA-N	388.512	2.400	0	1	GEAF	
CSCC(=O)N[C@H]1CCN2C(=O)c3cc(-c4ccco4)ccc3NC(=O)[C@H]2C1	25189801	VCPJSLFVFWWPDW-XJKSGUPXSA-N	399.472	2.351	0	1	GEAF	biogenic
CN1C[C@H](c2ccccc2)n2nc(C(=O)NCc3ccc(F)cc3)c(O)c2C1=O	29129214	MFORHLGRNCUKNK-MRXNPFEDSA-N	394.406	2.333	0	1	GEAF	
COc1ccc(OCC(=O)N2CCN(c3nc(N)nc4sccc34)CC2)cc1	45385769	NPCNGKYWTNKGLO-UHFFFAOYSA-N	399.476	2.010	0	1	GEAF	
O=C(O)[C@@H]1C[C@H]2Cc3[nH]ncc3[C@@H](C1)N2S(=O)(=O)c1ccc(Cl)cc1	58608861	VHYBDYCQPHDKSP-BPYAMOTFSA-N	381.841	2.214	0	1	GEAF	
COc1cc(CNc2nc(N3CCC[C@@H](C(N)=O)C3)ncc2C)cc(OC)c1	82204316	UKLDJQARZLXNMK-OAHLLOKOSA-N	385.468	2.116	0	1	GEAF	
COCC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2Cc1cc(F)ccc1F	95893812	PUCIFADZBZMUDH-DYXWJJEUSA-N	388.414	2.287	0	1	GEAF	
Cc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2ccc3c(c2)OCO3)c1	114077853	YZMKHZZIPJZJTR-UHFFFAOYSA-N	379.420	2.184	0	1	GEAF	
CC[C@@H](NC(=O)c1cc(C(=O)NCCOC)n2c1COCC2)c1ccccc1	143849604	FCSDKCPETRTZFK-QGZVFWFLSA-N	385.464	2.276	0	1	GEAF	
COc1ccc(OC)c(NC(=O)CCCN2C(=O)[C@H]3[C@@H]4C=C[C@H](C4)[C@H]3C2=O)c1	195394740	JZNJPIJGUQTLFE-YJZQOORCSA-N	384.432	2.230	0	1	GEAF	
Cc1cnc(Cl)c2[nH]c(CNC(=O)CNC(=O)OCc3ccccc3)nc12	587227568	OGYFCCROBNOKSZ-UHFFFAOYSA-N	387.827	2.462	0	1	GEAF	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCN(C(=O)C(F)(F)F)/C1=C/N(C)C)O2	587381393	HWPYSHAMOQZSSH-ZGUWOUCSSA-N	383.370	2.479	0	1	GEAF	
O=C(O)[C@@H]1NC[C@@H]2[C@@H]1CC[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	587598966	ZFGGRGLGMSUZFK-BQCPMWKOSA-N	381.384	2.175	0	1	GEAF	
C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)C2(O)O	587823114	SKCACCOATJKIGZ-HUTHGQBESA-N	392.224	2.243	0	1	GEAF	
CC[C@@]12CC[C@@H]3N(C(C)=O)c4c(ccc(OC)c4O)[C@@]34CCN(CC[C@@H]1O)[C@@H]24	14850346	XYPHRTDTBOZCJF-BVKOHWRASA-N	386.492	2.403	0	1	GEAF	
CN1CCN([C@@H]2c3ccccc3C3(CCN(Cc4ccco4)CC3)[C@H]2O)CC1	20905640	ADXAUPGKPDUUGM-YADHBBJMSA-N	381.520	2.476	0	1	GEAF	
COCC(=O)NC[C@H]1C[C@H]2CCN1C[C@@H]2CN1CCC(Cc2ccccc2)CC1	43527129	NIHJNZRWNSXWFW-XPWALMASSA-N	399.579	2.414	0	1	GEAF	biogenic
CN1CCN(Cc2ccc(OCCNc3nc4ccccc4nc3N)cc2)CC1	82151352	HOZJJFKPKOCWOS-UHFFFAOYSA-N	392.507	2.450	0	1	GEAF	
C/C=C/c1ccc2c(c1)O[C@@H](CN(C)C)[C@H](C)CN([C@@H](C)CO)S2(=O)=O	95711455	KDXLDHVMUOGHJB-GOQWRMHNSA-N	382.526	2.050	0	1	GEAF	
O=C(c1nc2ccccc2[nH]1)N1CC(Oc2nccnc2C2CCOCC2)C1	96168919	AYEFVSSFVCSJCX-UHFFFAOYSA-N	379.420	2.150	0	1	GEAF	
CNC(=O)Cn1c(=O)n(C2CCN([C@H]3C[C@@H]4CC[C@@H]3C4)CC2)c2ccccc21	101327020	HPUKHZULLSYZHF-QINHECLXSA-N	382.508	2.375	0	1	GEAF	
Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4ccccc4-n4cccn4)C[C@H]3C2)n1	116822517	RHNDWDDUZXTNJU-HDICACEKSA-N	388.475	2.488	0	1	GEAF	
CC(C)C[C@H]1NC(=O)[C@H](S(=O)(=O)Cc2cccc(C(F)(F)F)c2)C1=O	169693713	JQLKDJXBTFQKGM-TZMCWYRMSA-N	377.384	2.102	0	1	GEAF	
O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1cccc(N[C@@H]2CCOC2)c1	217051517	BLUQQDAYDFHJCP-YADHBBJMSA-N	395.503	2.036	0	1	GEAF	
C[C@@H](c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1)n1cc(Cl)cn1	587082155	LZQVJSHRPVZVFF-NSHDSACASA-N	395.872	2.043	0	1	GEAF	
CCOc1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OCC(N)=O	587433476	QVFIQHGAZIMWIC-SZNDQCEHSA-N	383.400	2.447	0	1	GEAF	
CCOC(=O)C(C(=O)OCC)[C@]1(CC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	587440723	HYDGEKFCQPRBBN-ZUOKHONESA-N	376.405	2.334	0	1	GEAF	
CCOC(=O)[C@@H]1CCNC(=O)[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12	587792336	IHMAHRRWKDIHTR-LTHLMHMASA-N	399.260	2.017	0	1	GEAF	
CCNC(=O)C1=CCN(C(=O)c2ccc(N3CCOCC3)c(F)c2)[C@H]1C(C)C	1772619189	HLKSIIXMMBLNIL-IBGZPJMESA-N	389.471	2.205	0	1	GEAF	
CN1[C@H]2COC[C@H]1CC(NC(=O)c1cn(-c3ncccn3)c3ccccc13)C2	1772641580	VKQOQAOFJWIUGY-HZPDHXFCSA-N	377.448	2.012	0	1	GEAF	
Cc1cn2c(-c3cn[nH]c3)cnc2c(=Nc2cc(Cc3ncccn3)ns2)[nH]1	1857768963	FGEGZTKYIBPDPJ-UHFFFAOYSA-N	389.448	2.431	0	1	GEAF	
CC1(C)CN(C(=O)c2ccc(Cl)cc2)C[C@H]2CN(C(=O)C3CC3)CCN21	2356302776	ABTRCLOXSTUXHM-QGZVFWFLSA-N	375.900	2.497	0	1	GEAF	
O=S(=O)(NC[C@@H]1C[C@H]2CCN1C[C@H]2CN1CCCCC1)c1cccs1	2356353102	IDTKSTNSKGIOIT-ZACQAIPSSA-N	383.583	2.223	0	1	GEAF	
COC(OC)[C@@H]1CCCN1C(=O)[C@H]1CCCN1C(=O)OCc1ccccc1	3782837	FWRIGQASSHUNQU-SJORKVTESA-N	376.453	2.398	0	1	GEAF	
CCN(C[C@H]1CC(c2ccccc2)(c2ccccc2)C(=O)O1)C(=O)C(=O)OC	6384935	ZWRFAWMDTDCJEH-GOSISDBHSA-N	381.428	2.310	0	1	GEAF	
C[C@H]1CN(c2c(F)cc3c(=O)c(C(=O)O)cn4c3c2SCC4)C[C@H](C)N1	27527062	XPEKUXDTZAPOHF-UWVGGRQHSA-N	377.441	2.131	0	1	GEAF	
CN(C)c1ccc(-c2ccnc(N[C@@H]3CO[C@@H]4[C@@H](NCC5CC5)CO[C@H]34)n2)cc1	36369395	NXWFQZCBTMXHRQ-DOIPELPJSA-N	395.507	2.156	0	1	GEAF	biogenic
C[C@H](NC(=O)CCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2)C(=O)O	40576438	AIAFRFGIINNKBY-IVKJLDKCSA-N	379.501	2.404	0	1	GEAF	
CCCN1[C@@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@H]1[C@@H](C(=O)OC)[C@@H]2CO	95880267	HGSXJQPFLOFJHV-LMCOJAPRSA-N	382.460	2.062	0	1	GEAF	
COc1ccc(OC)c([C@H]2C3=C(O)CCCC3=Nc3c2c(=O)n(C)c(=O)n3C)c1	100635064	FUINNTPFGPYXBQ-INIZCTEOSA-N	397.431	2.315	0	1	GEAF	
COCCN1C(=O)[C@@]2(N=C1N)c1cc(Cl)ccc1CC21CCC(OC)CC1	139433614	CFTNYXVUJWVMSN-OAAAQFAESA-N	391.899	2.470	0	1	GEAF	
Nc1cnc(-c2ccc(-c3ccccc3C(=O)N3CCNC(=O)C3)cc2F)cn1	224799219	ZRDVYRUJRMVQQO-UHFFFAOYSA-N	391.406	2.104	0	1	GEAF	
COC(=O)c1cc2nc([C@H](C)NC(=O)c3cc4c(C)nn(C)c4s3)[nH]c2cn1	587037963	OJTRABIRBJWKKR-VIFPVBQESA-N	398.448	2.492	0	1	GEAF	
CC(C)(C)OC(=O)N(Cc1nc2c(O)nc(S)nc2[nH]1)C[C@@H]1CCCO1	587197449	OZBLTQBSGGQILK-VIFPVBQESA-N	381.458	2.263	0	1	GEAF	
COC(=O)Cn1cc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)nn1	587761475	USQNXBBIQXRNOZ-ABKXIKBNSA-N	397.248	2.150	0	1	GEAF	
C[C@H]1C[C@H]2CSC(=N)N[C@]2(c2nc(NC(=O)c3cn(C)cn3)cs2)CO1	1772638953	NPGXSCFUAULWBJ-XQJJYNOISA-N	392.510	2.020	0	1	GEAF	
O=C1c2ccccc2OC=CN1CCCCN1CCN(c2ncccn2)CC1	27652284	ABUKAEDIXPYQSW-UHFFFAOYSA-N	379.464	2.385	0	1	GEAF	
CCCOP(=O)(OCCC)OC[C@@H]1C=C[C@@H](n2cc(C)c(=O)[nH]c2=O)O1	28226735	GAOCQDXSOXDCAW-KBPBESRZSA-N	388.357	2.277	0	1	GEAF	
CCC(=O)Nc1ccc2c(c1)OC[C@H](C)NC[C@@H](C)[C@H](OC)CN(C)C2=O	95688584	ACBVZQMFXFPRGI-QWQRMKEZSA-N	377.485	2.129	0	1	GEAF	
O=C(NC1CCCC1)[C@H]1[C@H](CO)[C@H]2Cn3c(cccc3=O)[C@@H]1N2CC1CCCC1	95879141	GJIKUUHOFPGRFJ-IVOMFYJKSA-N	399.535	2.061	0	1	GEAF	
COCC(=O)N1[C@@H](CO)[C@@H]2c3ccccc3N(C(=O)Nc3ccccc3F)C[C@@H]21	95893591	GNLKHVNMWWCHSH-CMKODMSKSA-N	399.422	2.180	0	1	GEAF	
COC1(C(=N)/C=C(\O)OCc2ccc3c(c2)OCC(=O)N3C)CCOCC1	101357033	RRBPKINMRWFTLE-XZQGDMDISA-N	376.409	2.173	0	1	GEAF	
COc1ccc(-c2cc3c(C)nc(N)nc3n([C@H]3CC[C@H](O)CC3)c2=O)cn1	116020993	FETTYQBQNFSCDZ-OKILXGFUSA-N	381.436	2.229	0	1	GEAF	
O=c1[nH]c(O)c(-c2cc(Cl)ccc2S(=O)(=O)NCCc2ccccc2)[nH]1	169712839	QJNRREDLYLHPCU-UHFFFAOYSA-N	393.852	2.250	0	1	GEAF	
O=C1NC(=O)/C(=C/c2cnn3c(NC4CC4)cc(Nc4ccc(F)cc4)nc23)N1	205051517	BWPMWSANSRAYCH-AUWJEWJLSA-N	393.382	2.367	0	1	GEAF	
O=C(NC[C@H](O)CN1Cc2ccccc2C1)c1cccc(NC2CCOCC2)c1	217092631	ISDGHQQLLYNJMG-QFIPXVFZSA-N	395.503	2.384	0	1	GEAF	
CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2nc(Cl)c[nH]c-2n1	586965168	SPUGCPQPGHADPY-UHFFFAOYSA-N	389.876	2.415	0	1	GEAF	
O=C1C[C@@H](Cc2nc3c(O)nc(O)nc3[nH]2)c2c(Br)cccc2O1	587003071	JUOITCOWJLQTJS-ZCFIWIBFSA-N	391.181	2.162	0	1	GEAF	
CCOC(=O)Cc1ccc2nc(-c3cc(S(N)(=O)=O)ccc3F)[nH]c2c1	587142400	YPEISHHOGSLMJX-UHFFFAOYSA-N	377.397	2.122	0	1	GEAF	
C[C@@H](Oc1ccccc1)C(=O)NCc1nc2ccc(N3CCN(C)CC3)cc2[nH]1	587223831	GQRUPFIYCPOBLJ-MRXNPFEDSA-N	393.491	2.398	0	1	GEAF	
CC(C)(C)OC(=O)NC1(c2nc3[nH]c(=N)[nH]c(Cl)c-3n2)CCC(=O)CC1	587234977	ZXXOAEOQAOVSIS-UHFFFAOYSA-N	380.836	2.234	0	1	GEAF	
CC(C)C[C@H](N)C(=O)Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1	1772642435	SQONJPAQDIAPGA-SFHVURJKSA-N	375.494	2.477	0	1	GEAF	
O=C1CN(c2cnnc(O)c2Cl)CCN1Cc1cccnc1C(F)(F)F	1857536226	GIRIFGFIERVBPX-UHFFFAOYSA-N	387.749	2.098	0	1	GEAF	
Cc1cc(O)c([C@@H](O)c2c(O)cccc2O)c2c1OC(C)(C)[C@H](O)COC2	2356850028	PZQTZTHNLXNNSJ-CRAIPNDOSA-N	376.405	2.242	0	1	GEAF	
C[C@@H]1[C@@H](NC(=O)C2CCN(S(=O)(=O)N3CCCCC3)CC2)CCC[C@H]1C	251655496	FUGVBRYQGMKFNW-RYRKJORJSA-N	385.574	2.370	0	3	GEAF	
O=C(c1ccc2c(c1)c1c3c(cc4c1n2C(=O)CC4)CNCC3)N1CCOCC1	13558712	AENGNZMXXWOIGO-UHFFFAOYSA-N	389.455	2.499	0	1	GEAF	
CCOC(=O)Cc1cc(O)n2nc(NCc3c(F)cccc3Cl)nc2n1	21178444	NWBZTERGYUMATB-UHFFFAOYSA-N	379.779	2.340	0	1	GEAF	
C[C@H](N[P@](=O)(O)CCCCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O	26190167	PNSSUQNKHFUKLM-HOCLYGCPSA-N	382.397	2.248	0	1	GEAF	
C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(c3ccc4c(c3)c3cnccc3n4C)C[C@H]12	27865714	VBKRCLBKNXGJRG-AQQIJUCISA-N	377.400	2.134	0	1	GEAF	
CN(CCCc1ccccc1)C[C@@H](O)COc1ccc(NS(C)(=O)=O)cc1	29346962	ORKMFOIFCLTNRB-LJQANCHMSA-N	392.521	2.362	0	1	GEAF	
N[C@H]1NC=Nc2c(CN3C[C@H](CSc4ccc(Cl)cc4)[C@@H](O)C3)c[nH]c21	34803691	XOHKNCJZSMLXPF-MRAWALMUSA-N	391.928	2.473	0	1	GEAF	
CCn1c(=O)/c(=C2\C=CC=CN2C)s/c1=C/c1sc2ccccc2[n+]1CC	38146387	AGGZKFKFEMPMSW-SILNSSARSA-N	396.561	2.404	0	1	GEAF	
CCCCOc1nc(N)c2nc(O)n(Cc3cccc(CCC(=O)OC)c3)c2n1	49068551	FFSXNXNGTLPUQE-UHFFFAOYSA-N	399.451	2.447	0	1	GEAF	
CN(C)CCNC(=O)c1cc2n[nH]c(=O)n2c2cc(-c3ccsc3)ccc12	84615832	QSQLHLHGJNOYLH-UHFFFAOYSA-N	381.461	2.196	0	1	GEAF	
O=C(c1ccncc1)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2C(=O)CC1CC1	95794023	JHGBJZJGBUIJRW-PZJWPPBQSA-N	391.471	2.063	0	1	GEAF	
CN(C[C@H]1[C@H](c2ccccc2)[C@@H](CO)N1C(=O)C1CCC1)C(=O)c1ccccn1	95895863	JVSLUPVXAKPAAQ-HBMCJLEFSA-N	393.487	2.309	0	1	GEAF	
CN(C)CCN(C)C(=O)c1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1F	149144377	VCUQZGMKGHRZJY-UHFFFAOYSA-N	386.471	2.012	0	1	GEAF	
Nc1cc(F)ccc1NC(=O)c1ccc2c(cnn2CCN2CCOCC2)c1	219018150	FGMSMFBBLUIZAA-UHFFFAOYSA-N	383.427	2.342	0	1	GEAF	
O=S(=O)(Cc1ccccc1-c1nc2c(O)nc(O)nc2[nH]1)c1ccccc1	586921327	GQFYSTVBPORMEJ-UHFFFAOYSA-N	382.401	2.405	0	1	GEAF	
O=S(=O)(NC1CC1)c1ccc(Br)c(-c2nc3cnncc3[nH]2)c1	586951408	LWWODKJXAXKDPT-UHFFFAOYSA-N	394.254	2.223	0	1	GEAF	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cnc(O)n(C)c2=O)N1	587799032	VVJSEUOBFDRSGB-ZKANADHPSA-N	382.233	2.185	0	1	GEAF	
CN1C=CC([C@@H]2NC(C(F)(F)F)=CN2c2ccc(S(N)(=O)=O)cc2)C=C1	1772614152	HPDDWVAJCJTSJT-OAHLLOKOSA-N	386.399	2.062	0	1	GEAF	
CC(=O)O[C@]1(c2ccc3c(c2)OCO3)C(=O)OC[C@H]1Cc1ccc2c(c1)OCO2	2356474896	HKKUYQLJIRAPRD-VFNWGFHPSA-N	398.367	2.318	0	1	GEAF	
Cc1ccc(NC(=O)[C@H]2[C@@H]3C(=O)N(Cc4cccnc4)C[C@@]34C=C[C@H]2O4)cc1F	169294010	MHLHARLAZLJYDT-YXTQBTIXSA-N	393.418	2.450	0	3	GEAF	
O=c1cc(-c2ccccc2)c2ccc(OC[C@@H](O)CN3CCNCC3)cc2o1	40403715	DPPQNKKMNSPLRU-KRWDZBQOSA-N	380.444	2.105	0	1	GEAF	
O=C(C[C@@H]1C/C=C/CCC(=O)OCCNC1=O)NCc1ccc(Cl)cc1	49034063	PIGMXBSUAPIWMM-YLSAJCSVSA-N	378.856	2.362	0	1	GEAF	
COCCCNC(=O)c1cnc(NCCCOC)nc1-c1ccc(F)cc1	82136227	ZCOYBLYLVZVPAH-UHFFFAOYSA-N	376.432	2.497	0	1	GEAF	
C/C=C/c1ccc([C@H]2[C@@H](CO)N(S(C)(=O)=O)[C@H]2CN(CCC)C(C)=O)cc1	95871865	VZUWAGSFAXWGLY-HNWYEFJWSA-N	394.537	2.067	0	1	GEAF	
O=C(Nc1cccc(Cl)c1)N[C@H]1CC[C@@H](CCNC(=O)C2CC2)O[C@H]1CO	95904262	JUGQZOVOVDNIIT-ULQDDVLXSA-N	395.887	2.286	0	1	GEAF	
CCC[C@@H]1C(=O)c2nc(CCCN3N=C(Cl)CCC3=O)[nH]c2N(C)C1=O	100034622	FWXVKFZRDWTOMD-SNVBAGLBSA-N	379.848	2.092	0	1	GEAF	
COc1cc([C@@H]2Oc3cc4ccc(=O)oc4cc3O[C@@H]2CO)cc(OC)c1O	535384659	GIQLHVXLWDFBDW-XLIONFOSSA-N	386.356	2.389	0	1	GEAF	biogenic,in-vitro
Cc1ccc(/C=C\S(=O)(=O)NCc2nc3c(S)nc(S)nc3[nH]2)cc1	586940860	IKBLTMDKFRMZTR-SREVYHEPSA-N	393.519	2.329	0	1	GEAF	
COc1ccc(C)c(-n2nnnc2Oc2ccc([C@H]3CC[C@@H](C(N)=O)N3)cc2)c1	1857598163	NDFFJWWTIMIPLS-SJORKVTESA-N	394.435	2.050	0	1	GEAF	
COc1ccc2c(c1)N(C)[C@H]1[C@@]23CCN2CC=C[C@](C)([C@@H]23)[C@@H](C)[C@@]1(O)OC(C)=O	2356402210	BRPPDMZITRSQKG-NLAYTPEISA-N	398.503	2.303	0	1	GEAF	
CN1CCC(NC[C@@H]2O[C@@H](Cc3cc(-c4ccccc4)on3)CC[C@@H]2O)CC1	2356404358	LVPLJXOBCVXANF-URVUXULASA-N	385.508	2.476	0	1	GEAF	
CSc1ccccc1OCc1cc(C(=O)N(C)C[C@@H]2COCCO2)no1	12747914	GHIBJXJVGKCLIU-CQSZACIVSA-N	378.450	2.463	0	3	GEAF	
CN(NS(=O)(=O)c1ccc2ccccc2c1)S(=O)(=O)Cc1ccccc1	26190009	RIIXVOWGERZYFB-UHFFFAOYSA-N	390.486	2.495	0	1	GEAF	
CNC(=O)Nc1ccc(-c2nc(N3C[C@@H]4CC[C@@H](C3)O4)c3cnn(C)c3n2)cc1	101313153	APYPCVRCUBVUDW-GJZGRUSLSA-N	393.451	2.149	0	1	GEAF	
O=C(Nc1cccc(NCCO)c1N1CCCCC1)c1cnn2cccnc12	113652917	CSUDFSCYYFAPLQ-UHFFFAOYSA-N	380.452	2.376	0	1	GEAF	
CC(=O)OCC1(COC(C)=O)N[C@@H](C)Cc2cc(Br)c(F)cc21	587792027	KTMNAQBHACXNGT-VIFPVBQESA-N	388.233	2.444	0	1	GEAF	
Cc1cc2c(cc1O)[C@@]1(N[C@H](C(=O)O)C2)C(=O)Nc2cc(F)c(Cl)cc21	963507855	KARDBGSFQXEJKC-KSSFIOAISA-N	376.771	2.288	0	1	GEAF	
Cc1c(NC(=O)COC(=O)[C@@H]2C[C@@H]3C=C[C@H]2C3)c(=O)n(-c2ccccc2)n1C	4163431	QXORCEWNUQJSFW-HLLBOEOZSA-N	381.432	2.178	0	1	GEAF	
CC(C)[C@@H]1Cn2c(c(NC(=O)CCc3cccnc3)c(=O)n(C(C)C)c2=O)N1	82206824	KDZJKGLGTKSOOT-HNNXBMFYSA-N	385.468	2.007	0	1	GEAF	
CN(C[C@H]1[C@@H](c2ccccc2)[C@H](CO)N1C(=O)C1CCC1)C(=O)c1ccccn1	95895862	JVSLUPVXAKPAAQ-PCCBWWKXSA-N	393.487	2.309	0	1	GEAF	
CC[C@H](C)[C@H]1NC(=O)C(SCC(=O)NCc2ccc3c(c2)OCO3)=C1O	100603453	UKJBYOMODXGBAG-ZUZCIYMTSA-N	378.450	2.079	0	1	GEAF	
Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4cccnc4-c4ccn[nH]4)C[C@@H]3C2)n1	116823750	DTWYRJKWNIHGNW-HZPDHXFCSA-N	389.463	2.087	0	1	GEAF	
O=C(N[C@H]1CNC[C@@H]1c1ccccc1)N1CCc2[nH]nc(-c3ccncc3)c2C1	145831117	KDAIBAPSXPKXFG-XLIONFOSSA-N	388.475	2.295	0	1	GEAF	
NC1=N[C@@](c2cc(NC(=O)C3CCOCC3)ccc2F)(C(F)F)[C@H]2C[C@H]2O1	226107019	GIZGEJKHCQNBKD-WPKBUWHJSA-N	383.370	2.385	0	1	GEAF	
COc1ccc2[nH]c(-c3c(I)c(C(=O)O)nn3C)nc2c1	587181527	UFEDLELHDSTTIH-UHFFFAOYSA-N	398.160	2.275	0	1	GEAF	
CCOC(=O)Nc1ccc(C(=O)NCc2nc3ccc(C(N)=O)cc3[nH]2)cc1	587228731	QMBBRCHOVUTRNG-UHFFFAOYSA-N	381.392	2.160	0	1	GEAF	
CCOC(=O)[C@H]1CS(=O)(=O)CC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3	587530309	FESLCXAKBGWZSY-OXQOHEQNSA-N	392.473	2.267	0	1	GEAF	
CC1(C)CCC[C@]2(C)[C@@H]1[C@@H](OC(=O)C=CC=CC(=O)O)C=C1COC(=O)[C@@]12O	2356424846	WWELYLJKFRXUQW-XVSRIUFKSA-N	390.432	2.156	0	1	GEAF	
CCOC(=O)C=C(C)C(=O)O[C@H]1C[C@H]2C[C@H](OC(=O)C=C(C)C)[C@@H](C1)N2C	2356541586	LTHNNGQCWYQQLA-NXOAAHMSSA-N	379.453	2.152	0	1	GEAF	
CC(C)(O)[C@@H]1Oc2c(O)cc([C@@H]3CC(=O)c4c(O)cc(O)cc4O3)cc2[C@@H]1O	2356622039	ZKWKPRFUKLOWLB-UCLAIMLFSA-N	388.372	2.075	0	1	GEAF	
COC(=O)C=C(C)C1=N[C@H]2C[C@@]3(C(=O)N(OC)c4ccccc43)[C@H]3C[C@H]1[C@H]2CO3	2356747554	DFAOGMHFJLSDPA-JKIRJROASA-N	396.443	2.200	0	1	GEAF	
CC[C@]12C=CCN3CC[C@]4(c5ccc(OC)cc5N[C@@H]4[C@](O)(C(=O)OC)C1)[C@@H]32	2356758865	MLIQIRKAHMVCDD-UMBQZNGKSA-N	384.476	2.075	0	1	GEAF	
C[C@@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3[C@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO	3881606	ZCAYUOKEIPMTMF-GFNZWVRUSA-N	376.493	2.028	0	1	GEAF	
CSC[C@@H](NC(=O)COc1cc(C)cc2oc(=O)c(C)c(C)c12)C(=O)O	6425758	RFZFCYXYOHGQFW-GFCCVEGCSA-N	379.434	2.029	0	1	GEAF	biogenic
CCCCN1CC2(CCN(C[C@H](O)[C@H]3COc4ccccc4O3)CC2)OC1=O	28762301	IWAQDHIFFZYRIZ-QFBILLFUSA-N	390.480	2.274	0	1	GEAF	
CCn1c(=O)n(CC2CC2)c(=O)c2[nH]c(-c3cnn(Cc4ccccc4)c3)nc21	29055559	XQHOPTYJMROILQ-UHFFFAOYSA-N	390.447	2.228	0	1	GEAF	
CC[C@@H]1Cn2c(c(NCc3ccccc3F)c(=O)n(Cc3ccncc3)c2=O)N1	82207508	SOVIORNJPIXYJT-MRXNPFEDSA-N	395.438	2.409	0	1	GEAF	
O=C(NCC[C@H]1CC[C@H](NC(=O)C2CC2)[C@H](CO)O1)Nc1ccc(Cl)cc1	95904455	GLBDSUNETLJFTE-IKGGRYGDSA-N	395.887	2.286	0	1	GEAF	
Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4ccccc4-c4ncn[nH]4)C[C@@H]32)n1	116827675	SALFTRQLKHQRSL-YJBOKZPZSA-N	389.463	2.229	0	1	GEAF	
CCCN(c1cc(C(=O)Nc2ccc(S(N)(=O)=O)cc2C)ncn1)C(C)C	143229962	HCIFSULATOSMTD-UHFFFAOYSA-N	391.497	2.310	0	1	GEAF	
CNS(=O)(=O)c1ccc(NCC2CC2)c(-c2cn(C)c(=O)c3[nH]ccc23)c1	146714777	RHNVBCJGVIMCAZ-UHFFFAOYSA-N	386.477	2.264	0	1	GEAF	
Cc1ccc(CNc2cc(OC[C@H]3C[C@@H]3c3ccn(C)n3)nn(C)c2=O)c(C)n1	218500756	CCCDFHJNABCGQN-SJORKVTESA-N	394.479	2.320	0	1	GEAF	
C/C=C1/C[C@@H](C)[C@](C)(OC(C)=O)C(=O)OCc2ccn3c2[C@H](CC3=O)OC1=O	238779675	NTGIQQBAUYBEBF-FGWFJSQJSA-N	389.404	2.467	0	1	GEAF	
Cc1cnc(C(=O)N2[C@H]3CC[C@H]2[C@@H](COc2ccccn2)C3)c(-n2nccn2)c1	473180499	VJAYIPCCVAFBML-IKGGRYGDSA-N	390.447	2.438	0	1	GEAF	
CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2ccnc(N)c2[nH]1	586937625	RCRSCLBJBRNLEE-CYBMUJFWSA-N	377.495	2.313	0	1	GEAF	
Nc1cc(C(=O)O)ccc1Cc1nc2cc(I)cnc2[nH]1	587249065	FRJSGWQCMQGRCR-UHFFFAOYSA-N	394.172	2.434	0	1	GEAF	
O=C(O)/C=C/c1ccc2c(c1)CC(=O)N2Cc1ccc2c(c1C(=O)O)OCO2	653854448	MQBFSYDRMCIJRE-QHHAFSJGSA-N	381.340	2.301	0	1	GEAF	
Cn1cc([C@@]2(CN3CCNCC3)NCCc3c(Cl)cc(Cl)cc32)cn1	963105349	IOQSFERHFCRKQY-GOSISDBHSA-N	380.323	2.021	0	1	GEAF	
CN1C(=O)[C@]2(c3ccccc31)N(c1ccc(F)c(Cl)c1)C(=O)CS2(=O)=O	8597472	IIDKMVKSAJOXJN-QGZVFWFLSA-N	394.811	2.070	0	1	GEAF	aggregator
O=C(N1CCOCC1)N1CCc2[nH]nc(COc3cccc(Cl)c3)c2C1	23251628	NJAZKHZSCMNJKW-UHFFFAOYSA-N	376.844	2.452	0	1	GEAF	
O=C(CCO)N1[C@H]2Cc3cc4c(cc3[C@@H]1Cc1cc3c(cc12)OCO3)OCO4	27852342	LRJWEFDICSRKNV-HOTGVXAUSA-N	381.384	2.250	0	1	GEAF	
COc1ccc(S(=O)(=O)NCc2ccccc2)cc1N(C)C1CCNCC1	58603440	KDNQWSQNSVQCTO-UHFFFAOYSA-N	389.521	2.362	0	1	GEAF	
COc1cc(CNc2nc(N3CC[C@H](NC(C)=O)C3)ncc2C)cc(OC)c1	82212955	VWKKNGDWIYILRS-INIZCTEOSA-N	385.468	2.129	0	1	GEAF	
C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(=O)NCCC)[C@@H]2CNC(=O)C2CC2)cc1	95894827	NJQPGASMIDWZCK-WDIQUWGMSA-N	385.508	2.494	0	1	GEAF	
C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(=O)Cc3cccnc3)[C@H]2CNC(C)=O)cc1	95895786	NGLDGHULOYFZMR-BGUXCCRCSA-N	393.487	2.149	0	1	GEAF	
O=C(Nc1ccc(F)cc1)N[C@@H]1C=C[C@H](CC(=O)N2CCCCC2)O[C@@H]1CO	95906047	GRROAJFSYBFQKD-KZNAEPCWSA-N	391.443	2.034	0	1	GEAF	
NCCNc1nc(-c2ccncc2)nc2sc3c(c12)CCC1(C3)OCCO1	223673445	AFEBVDQUVLPJDK-UHFFFAOYSA-N	383.477	2.356	0	1	GEAF	
O=C(NC[C@H](O)CN=c1[nH]c2ccccc2[nH]1)c1cc(Cl)cc(Cl)c1	473135238	MSRQUFYRWFQLRO-ZDUSSCGKSA-N	379.247	2.494	0	1	GEAF	
CC(C)(C)OC(=O)N[C@]1(c2nc3c[nH]c(=N)[nH]c-3n2)[C@@H]2CCCO[C@@H]2C1(C)C	587240851	YATZVYSHAUXDSX-FKWBGFQESA-N	388.472	2.272	0	1	GEAF	
COc1cc(-c2ccc3c(O)nc(O)nc3n2)ccc1S(=O)(=O)C(F)F	587368270	LZTLSQUOMTUREY-UHFFFAOYSA-N	383.332	2.108	0	1	GEAF	
COc1ccc(-c2c(C)nc3c(N4CC[C@@H](NC(C)=O)C4)ccnn23)cc1OC	1911582498	OGNCVDCZXXFLIH-MRXNPFEDSA-N	395.463	2.437	0	1	GEAF	
O=C(NCc1nnc(SCC(=O)N2CCCCC2)o1)c1c(F)cccc1F	4354377	VXSAENWNAZFNGF-UHFFFAOYSA-N	396.419	2.382	0	3	GEAF	
O=C1c2ccccc2C(=O)N1c1ccc(S(=O)(=O)Nc2ncccn2)cc1	5681633	DQWCAOGIBFXAJY-UHFFFAOYSA-N	380.385	2.078	0	1	GEAF	
COCC[C@](O)(C(=O)O[C@H]1CN2CCC1CC2)c1cccc(Br)c1	13650141	RFBRDNUZPRPAFU-FUHWJXTLSA-N	398.297	2.311	0	1	GEAF	
COc1cc2c(cc1OC)[C@]13CCN4C/C(=C\CO)[C@H](C[C@H]41)C1=CCC(=O)N2[C@@H]13	33902707	XTGYWZXUYFAABL-LFKRQCONSA-N	394.471	2.013	0	1	GEAF	biogenic,in-vitro
O=C(CO[C@H](c1cccs1)c1cccnc1Cl)N1CCN(CCO)CC1	45167505	BVSVJPGCOJDKTK-KRWDZBQOSA-N	395.912	2.039	0	1	GEAF	
CCCCOc1nc(N)c2nc(O)n(Cc3ccccc3CC(=O)OC)c2n1	49112342	KKRQKBUIDKROIW-UHFFFAOYSA-N	385.424	2.057	0	1	GEAF	
C[C@@H](CS(C)(=O)=O)Nc1n[nH]c2nc(Oc3ccc(F)cc3F)ncc12	58638353	BIWWSRSPBBUSCN-QMMMGPOBSA-N	383.380	2.268	0	1	GEAF	in-vitro
Cc1ccc(-c2nc(C(=O)N[C@@H](C)C(=O)NCCCN3CCCC3)co2)cc1	82070643	HAVAFTVRQVTISH-INIZCTEOSA-N	384.480	2.370	0	1	GEAF	
COC(=O)Cn1c(=O)c(NCC(C)C)c2n(c1=O)C[C@H](CC1CCCCC1)N2	82207817	HVEGQRLNTGLOOK-HNNXBMFYSA-N	392.500	2.015	0	1	GEAF	
O=c1c(NCC2CC2)c2n(c(=O)n1Cc1ccncc1)[C@H](c1ccccc1)CN2	82209825	WNEIDIUEFWWDSQ-SFHVURJKSA-N	389.459	2.290	0	1	GEAF	
O=C(C1CCC1)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)Cc1ccccn1	95893497	QWGSTTYRPHGXAL-SJBKTWHCSA-N	391.471	2.126	0	1	GEAF	
CN(C(=O)CN1CCN(c2ccc(F)cn2)CC1)c1nc2c(s1)CCCC2	96258500	ABIWKFCTLVJCKN-UHFFFAOYSA-N	389.500	2.341	0	1	GEAF	
CCOC(=O)N1[C@H]2CC[C@@H]1C[C@@H](NCCNC(=O)c1cccc(OC)c1)C2	101505672	BGDCDNMUAYHSIA-OSYLJGHBSA-N	375.469	2.167	0	1	GEAF	
COc1ccc2c(c1)[C@@H]1C[C@](C)(NC(=O)[C@@H]1S(=O)(=O)c1ccc(F)cc1)O2	102868896	GJKPWCBSLUIPLX-KVSKMBFKSA-N	391.420	2.389	0	1	GEAF	
NC(=O)C12CC3C[C@@H](C1)C(OC(=O)N1CC[C@@H](c4ncc(F)cn4)C1)[C@@H](C3)C2	147323422	RFSWXYIRJUDJPJ-RMHUESLMSA-N	388.443	2.222	0	1	GEAF	
CC(C)n1nc(-c2cnc(N)c3cn[nH]c23)cc1[C@@H]1[C@H]2CN(C3COC3)C[C@H]21	148076927	HTNKTPXNQZIMGF-HWWDLCQESA-N	379.468	2.029	0	1	GEAF	
C/C=C(/CO)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(OC)C[C@@]23O[C@@H]2CC[C@H](C)[C@@]13C	169327935	MIJKHXZNXMZGBW-KAFYOKIGSA-N	392.448	2.030	0	1	GEAF	
O=C(NCc1cccs1)[C@@H]1[C@H]2C=C[C@@]3(CN(Cc4cccs4)C(=O)[C@H]13)O2	250076113	DXCOMXHKAVHGJW-JEWRLFTDSA-N	386.498	2.408	0	1	GEAF	
C[C@@H]1CC[C@]2(O)[C@@]13CC(=O)[C@@]1(C)[C@@](OC(=O)c4ccccc4)(OC[C@@]12C)[C@@H]3O	257389517	BRRTVYWNYBLCAX-VKPVWNPFSA-N	386.444	2.077	0	1	GEAF	
Cc1cc(-c2n[nH]c3cc(NC(=O)NC[C@H](O)C(F)(F)F)ncc23)ccn1	261169845	SSIQLEVRNKYBLP-LBPRGKRZSA-N	380.330	2.373	0	1	GEAF	
O=C(Nc1ccc(NC2=NCCN2)cc1)c1ccc(NC2=NCCN2)cc1Cl	473112333	DPLJXSFPQXLYNQ-UHFFFAOYSA-N	397.870	2.335	0	1	GEAF	
CC(C)(CO)[C@@H](O)c1nc2c(I)cnc(Cl)c2[nH]1	586900285	CLWYOWJDQVQREB-QMMMGPOBSA-N	381.601	2.268	0	1	GEAF	
COc1cc2c(cc1OC)[C@H](c1ccc(S(C)(=O)=O)nc1)N(C)[C@@H](C)C2	962621152	IOMHRHKBBZPJOP-BUXKBTBVSA-N	376.478	2.468	0	1	GEAF	
CC(C)C[C@H]1C[C@@H](C(N)=O)[C@]2(C(=O)Nc3ccccc32)N1C(=O)c1ccccn1	1772614278	PHXGXNCQKJHHAC-KHJUTWJGSA-N	392.459	2.291	0	1	GEAF	
COc1ccc(CCNC[C@H](O)COc2ccc3[nH]c(=O)ccc3c2)cc1OC	27192299	LRIXLIVCNUJIKL-KRWDZBQOSA-N	398.459	2.117	0	1	GEAF	
Cc1ccsc1C(=O)NCc1cc(Br)cc2[nH]c(=O)c(=O)[nH]c12	27555507	KCYVKJSNFMNELK-UHFFFAOYSA-N	394.250	2.279	0	1	GEAF	
O=C(CO)NC[C@@H]1CCCc2cc(S(=O)(=O)c3cccc(F)c3)ccc21	49045290	XESGTQXHHPZNJK-AWEZNQCLSA-N	377.437	2.187	0	1	GEAF	
CC(=O)NCCNc1ncc(C(=O)N2CCCCC2)c(-c2ccccc2F)n1	82160014	BFOXSURGRYFFLE-UHFFFAOYSA-N	385.443	2.457	0	1	GEAF	
COc1cccc(CNc2c3n(c(=O)n(Cc4ccncc4)c2=O)[C@H](C)CN3)c1	82211344	AHXLVOCIRATZFR-CQSZACIVSA-N	393.447	2.061	0	1	GEAF	
O=C(CC1CC1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(-c4cccnc4)cc3)[C@@H]2C1	95869595	DGHPVEHYJCHVCF-SXWKCWPCSA-N	391.471	2.046	0	1	GEAF	
C[C@]12OCCCCO[C@@H]1C([N+](=O)[O-])=C1N(Cc3ccc(Cl)nc3)CCN12	103184628	LIWJOYWXVRGGHK-WBVHZDCISA-N	380.832	2.224	0	1	GEAF	
CC(C)c1cc(-c2nnc(O)n2-c2ccc(N3CCOCC3)nc2)c(O)cc1O	115808463	WVCGITYQLKZUPL-UHFFFAOYSA-N	397.435	2.406	0	1	GEAF	
C[C@H](C[C@@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)c1nnn[nH]1)C(=O)O	141420471	KAGSRSHCVSFAPL-DYVFJYSZSA-N	379.420	2.319	0	1	GEAF	
COC(=O)c1cc2[nH]c(CS(=O)(=O)c3ccc(OC)cc3)nc2cc1OC	586920855	SHJJHMSQPJYGBM-UHFFFAOYSA-N	390.417	2.341	0	1	GEAF	
Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4ccc(C(N)=O)cc4[nH]3)cc12	587037629	LJMMCBMWJJGXQP-VIFPVBQESA-N	382.449	2.409	0	1	GEAF	
NC(=O)c1c(F)ccc(OCc2nn(-c3ccc(Cl)cc3)c(=O)o2)c1F	1857544672	QHJLNNKOHNKNTJ-UHFFFAOYSA-N	381.722	2.435	0	1	GEAF	
C[C@@H]1CC(=O)N(CC(=O)NCc2ccc(F)cc2)c2ccccc2S1(=O)=O	6806595	SIOYQOLTYKNYTP-CYBMUJFWSA-N	390.436	2.041	0	3	GEAF	
COc1cc(O)c2c(=O)c(OC)c(-c3cc(O)c(OC)c(O)c3)oc2c1O	15271698	BWSPABNGDFHOGJ-UHFFFAOYSA-N	376.317	2.308	0	1	GEAF	biogenic
OC1CCN(c2ccnc(N3CCc4[nH]nc(-c5ccccc5)c4C3)n2)CC1	23542411	KJBUQCYJHCYNPE-UHFFFAOYSA-N	376.464	2.391	0	1	GEAF	
NC[C@@H]1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(O)cc2)C1	28392745	LYBGQKNZXVGARK-LBPRGKRZSA-N	397.406	2.319	0	1	GEAF	
C[C@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3[C@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO	40810494	ZCAYUOKEIPMTMF-WGONDTEMSA-N	376.493	2.028	0	1	GEAF	
CS(=O)(=O)c1cccc(S(=O)(=O)c2ccc3c(c2)CCC[C@H]3CN)c1	49111109	HVVXQXULFSVPOV-AWEZNQCLSA-N	379.503	2.302	0	1	GEAF	
O=C(NCC1CCOCC1)c1ncccc1NC(=O)c1cccc2nccnc12	95596187	RNUAGWKZGMVYTO-UHFFFAOYSA-N	391.431	2.434	0	1	GEAF	
C/C=C(/C)C(=O)O[C@H]1CC[C@@H]2C[C@]3(OC)OC(=O)C(C)=C3[C@@H]3OC(=O)[C@@H]1[C@]23C	95909482	KZURABRWVCJYOG-NTGQJCQWSA-N	390.432	2.442	0	1	GEAF	biogenic,in-vitro
CN(CC(=O)O)C(=O)COc1ccc2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2	143499554	OIEOGVSVBMPLIQ-GOSISDBHSA-N	395.333	2.387	0	1	GEAF	
CNC(=O)/C=C/c1ccc(-n2nc(C(N)=O)c3c2-c2cc(N)ccc2CC3)cc1	165840779	HBAQHAPYNCXWFI-NYYWCZLTSA-N	387.443	2.078	0	1	GEAF	
COc1cc2nc(-c3cccc(C(N)=O)c3)nc(N3CCOCC3)c2cc1OC	299865800	UOBMKCYJPQWFNP-UHFFFAOYSA-N	394.431	2.250	0	1	GEAF	
N=c1[nH]c2nc([C@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)nc-2c(Cl)[nH]1	587147923	DABGQBLCUKEHMC-QMMMGPOBSA-N	378.770	2.165	0	1	GEAF	
CC(C)(C)OC(=O)N[C@]1(c2nc3c[nH]c(=N)[nH]c-3n2)[C@H]2CCCO[C@H]2C1(C)C	587240846	YATZVYSHAUXDSX-DJHSXXLPSA-N	388.472	2.272	0	1	GEAF	
COc1ccc(C[C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1S(N)(=O)=O	587407968	DBQIDOXXSNQBCP-LJQANCHMSA-N	390.461	2.200	0	1	GEAF	
Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1[C@](O)(c1nccn1C)C(F)(F)F	587650325	RWUBTYHOFGWUCK-HNNXBMFYSA-N	387.383	2.412	0	1	GEAF	
CO/C(O)=C1/C(C)=Nc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccccc1Cl	621471735	MZWMSERQJBWYRC-IGWPVBGESA-N	375.812	2.391	0	1	GEAF	
CN1[C@H]2COC[C@H]1CC(NC(=O)c1nn(CC(F)(F)F)c3ccccc13)C2	1772621142	UVOXGHSCUXGFPR-CHWSQXEVSA-N	382.386	2.190	0	1	GEAF	
O=C1C(=O)N(CCN2CCN(NCc3ccccc3)CC2)c2ccc(Cl)cc21	1772623106	ZPNVHHOZIAWMMO-UHFFFAOYSA-N	398.894	2.192	0	1	GEAF	
CC=C1CN2CC[C@@]34c5cc(OC)ccc5N5C(=O)[C@H](OC)OC[C@@H]([C@H]53)[C@H]1C[C@@H]24	2356439318	NBQDHEDMCIJPPC-VIKLBNSVSA-N	396.487	2.321	0	1	GEAF	
NC(=O)C1CCN(C(=O)C2(NC(=O)Nc3cccc(F)c3)CCCCC2)CC1	4981942	PMDFBMNFUQEYAT-UHFFFAOYSA-N	390.459	2.374	0	3	GEAF	
CC1CCN(S(=O)(=O)N2CCC(C(=O)N[C@H]3CCCC[C@@H]3C)CC2)CC1	3060416	KOGWKBXIWAUGPT-WMZOPIPTSA-N	385.574	2.370	0	1	GEAF	
COc1c(O)cc2c(c1OC)[C@@]13CCN(C)[C@@H](CC2)C1=C[C@H](O)[C@H](OC)C3	14416475	VXVBTTAGDJBDTB-QSLMVLCRSA-N	375.465	2.004	0	1	GEAF	biogenic
O=C(C[C@H]1CCCCN1c1ccnc(-n2ccnc2)n1)NCc1ccccn1	35272192	NOQHBAPFLBFZJH-QGZVFWFLSA-N	377.452	2.123	0	1	GEAF	
COc1cc(C(N)=O)c2ncnc(N[C@H](CN(C)C)c3ccccc3OC)c2c1	114344251	HFFMDSWQQSOGQY-QGZVFWFLSA-N	395.463	2.461	0	1	GEAF	
O=C(O)CC[C@@H](NC(=O)c1ccc(/C=C2\SC(O)=NC2=S)cc1)C(=O)O	169701121	HGTQVYGWJNFSDW-PAKSIRSJSA-N	394.430	2.064	0	1	GEAF	
CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4c(N)ccnc4[nH]3)c2)o1	586923797	VZAVOYCAFZIKEX-UHFFFAOYSA-N	384.421	2.126	0	1	GEAF	
CCCCNS(=O)(=O)c1ccc2nc(CNC(=O)c3cscn3)[nH]c2c1	587027806	HITDPNFHILWBHA-UHFFFAOYSA-N	393.494	2.028	0	1	GEAF	
Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2cc(N)c(N)cc2[nH]1	587120987	MJUNNYCZZDMARS-UHFFFAOYSA-N	391.357	2.151	0	1	GEAF	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@H]3CC[C@]1(CS(N)(=O)=O)C3(C)C)O2	587408496	HBBKQHOKGWHEFO-HQOQDVMHSA-N	378.494	2.396	0	1	GEAF	
COc1cc2c3c(c1)O[C@@](c1ccccc1)([C@H](O)SCC(=O)O)[C@@H](C2)C3=O	587448920	NDHXCABFWMKEPJ-VHKYSDTDSA-N	386.425	2.474	0	1	GEAF	
O=C(NC[C@H]1CCCO1)C1CCN(C2CCN(Cc3ccco3)CC2)CC1	12475777	IUKXGQDUIIPEGP-LJQANCHMSA-N	375.513	2.251	0	3	GEAF	
COc1ccc(-n2c(O)cc(=O)nc2SCC(=O)N2CCCCC2)cc1	101909131	LZPMGRQPLJQWSK-UHFFFAOYSA-N	375.450	2.051	0	3	GEAF	
COC(=O)C1=CO[C@@H](C)[C@H]2CN3CC[C@]4(C(=O)Nc5cc(OC)ccc54)[C@@H]3C[C@H]12	14917645	SRKHGHLMEDVZRX-MRRNNNFUSA-N	398.459	2.071	0	1	GEAF	
COc1c(N2CC[C@@H]([C@H](C)N)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12	28703383	IUKZNPAZKOFPNP-WDEREUQCSA-N	389.427	2.356	0	1	GEAF	
C[C@@H]1C[C@@H](C)N(C[C@@H](O)CNS(=O)(=O)c2cccc(Cl)c2Cl)C1	28892134	OLWHNGIYJGTQGH-UTUOFQBUSA-N	381.325	2.363	0	1	GEAF	
O=S(=O)(c1cccc(Cl)c1)N1CCOc2c(N3CCNCC3)cccc21	28948456	FEWMBJACJHFDAK-UHFFFAOYSA-N	393.896	2.337	0	1	GEAF	
OC[C@H](O)CNc1c(Br)cccc1Nc1ncnc2ccncc12	29133496	CQIDHXOFSYZJNX-SNVBAGLBSA-N	390.241	2.296	0	1	GEAF	
CCCC(=O)NC[C@H]1CN(c2ccc(-c3nnc4ncccn34)cc2)C(=O)O1	71332996	PUXCHVQUNMAUJL-HNNXBMFYSA-N	380.408	2.033	0	1	GEAF	
O=S1(=O)N(CC[C@@H]2CNCCO2)c2ccccc2N1c1ccccc1F	72116474	UIKJCHWTULEUKX-CQSZACIVSA-N	377.441	2.407	0	1	GEAF	
O=C1c2cccnc2-c2c1c1ccccc1c(=O)n2CCCN1CCOCC1	72123325	DTEBVCNLHGOAID-UHFFFAOYSA-N	375.428	2.330	0	1	GEAF	
CCCOC(=O)[C@]1(O)C=C(OCc2ccc3sccc3c2)[C@@H](O)[C@H](O)C1	72179673	MYRZYBJDCXKATL-DKSSEZFCSA-N	378.446	2.112	0	1	GEAF	
COc1cc2nc(NC[C@@H](O)CO)nc(NCCC(C)(C)C)c2cc1OC	82129424	ASQHJKQVJWIKGF-GFCCVEGCSA-N	378.473	2.260	0	1	GEAF	
CCCNC(=O)[C@H]1[C@H]2c3ccc(C4=CCCCC4)c(=O)n3C[C@@H]([C@@H]1CO)N2CC	95879379	IMUJFFTZMKIRHF-MJUUVYJYSA-N	399.535	2.315	0	1	GEAF	
COCC(=O)N(C[C@H]1N[C@H](CO)[C@@H]1c1ccc(-c2cccnc2)cc1)C(C)C	95895192	LCMOQOZTZIIBJI-KCZVDYSFSA-N	383.492	2.048	0	1	GEAF	
CN1[C@H]2C[C@H](OC(=O)c3ccccc3)C[C@@H]1[C@@H](OC(=O)c1ccccc1)[C@H]2O	95910487	RJHQYFUSJXOHHZ-UHZRXMQZSA-N	381.428	2.275	0	1	GEAF	biogenic,in-vitro
CC(=O)N1CCN(c2nccnc2C2CN(c3ccc4ccccc4n3)C2)CC1	146295008	QABTXPGUSKBCOX-UHFFFAOYSA-N	388.475	2.297	0	1	GEAF	
COc1ccc(CCNC[C@H](O)COc2ccc(NC(C)=O)cc2)cc1OC	169330559	RHDXQGDMQVYVFS-SFHVURJKSA-N	388.464	2.234	0	1	GEAF	
Cc1cc(O)cc2oc3c(c(=O)c12)[C@](C)(Cc1cc(O)cc(=O)o1)C[C@@H](O)C3	238774889	FYYKXVHQNPFCQK-ZSEKCTLFSA-N	384.384	2.273	0	1	GEAF	
O=C(NN1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O)c1ccccc1Br	253684692	OLFJAAPWKAVFKS-WUDKWMPASA-N	387.233	2.147	0	1	GEAF	
O=[n+]1[nH]c2c(I)cnn2c2cc(-c3ccncc3)ccc21	377836358	MVMQUXHCUNCGQV-UHFFFAOYSA-N	390.164	2.397	0	1	GEAF	
CN(C)S(=O)(=O)c1ccc2nc(/C=C/S(=O)(=O)c3ccccc3)[nH]c2c1	586925442	ZQSQRPAXUMDJGT-ZHACJKMWSA-N	391.474	2.258	0	1	GEAF	
C[C@]1(CN2C(=O)COCC2=O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	587340373	HKIILSXXGRUXQG-TZIWHRDSSA-N	399.374	2.034	0	1	GEAF	
COC[C@H](C)N=c1nc(-c2cccc(C(F)(F)F)n2)[nH]c(=N[C@H](C)C2CC2)[nH]1	1857649837	LUBVUPNBKHPQTK-WDEREUQCSA-N	396.417	2.453	0	1	GEAF	
CC1=C[C@H](CNS(C)(=O)=O)[C@@H](C(C)C)C[C@H]1CC(=O)NCc1ccccn1	2356312121	AESHSBPFWZFIFT-YQVWRLOYSA-N	393.553	2.492	0	1	GEAF	
CC[C@@H]1OC(=O)[C@H](C)[C@H](O)[C@H](C)C(=O)[C@H](C)C[C@H](C)C(=O)[C@H](C)[C@H](O)[C@H]1C	2356655336	BFPPCOBUKUWWOH-YICGOSFDSA-N	384.513	2.389	0	1	GEAF	
CC=C1[C@H]2C[C@H]3C4=Nc5ccc(OC)cc5[C@@]45C[C@@H]([C@@H]2[C@@H]5OC(C)=O)N3[C@@H]1O	2356681724	DCLQJGLKBIQNJC-NRFFKXGNSA-N	380.444	2.322	0	1	GEAF	
CC[C@@H]1CN2CCC3=c4c(OC)cccc4=NC3=C2C[C@H]1C(=COC)C(=O)OC	2356838246	LRKSTCBIGUUOED-GDBMZVCRSA-N	396.487	2.146	0	1	GEAF	
Cc1ccc2[nH]c(=O)c3cc(C(=O)NCCN4CCN(C)CC4)sc3c2c1	20356867	PATOGWMQFGARHC-UHFFFAOYSA-N	384.505	2.028	0	3	GEAF	
Cc1ccccc1S(=O)(=O)NC(=O)[C@]1(C)CCN1C(=O)CC1CCCC1	61925757	FRRWISCVMODXNN-IBGZPJMESA-N	378.494	2.371	0	3	GEAF	
COc1ccc(S(=O)(=O)NC(=O)[C@]2(C)CCN2C(=O)CC2CCCC2)cc1	61929896	HUCAFOGCCLYXME-IBGZPJMESA-N	394.493	2.071	0	3	GEAF	
COc1ccc([C@@]2(O)c3cc4c(cc3C(=O)[C@@]2(C)C(C)=O)OCO4)cc1OC	13306231	MSTPUIOMVZYEKG-NHCUHLMSSA-N	384.384	2.460	0	1	GEAF	biogenic
NS(=O)(=O)Cc1ccc(N/C=C2\C(=O)Nc3ccc4ncsc4c32)cc1	13470496	NWJBWUFQUJNFKY-GHXNOFRVSA-N	386.458	2.490	0	1	GEAF	
COc1cc2c(cc1OC)[C@@H]1C[C@H]3[C@H](CCCN3S(C)(=O)=O)CN1[C@H](C)C2	13820245	SQUYVGWOAPFRMA-KNCCTNLNSA-N	394.537	2.435	0	1	GEAF	
COc1ccc2nc([S@@](=O)Cc3cc(N4CCOCC4)c(F)cn3)[nH]c2c1	13883971	NQXZYPXNNFVGQP-HHHXNRCGSA-N	390.440	2.250	0	1	GEAF	
O[C@@H]1CS[C@@H](n2cnc3c(NCc4cccc(Cl)c4)ncnc32)[C@@H]1O	40956055	CKXSTCOOOXXOLA-AXAPSJFSSA-N	377.857	2.059	0	1	GEAF	
CCNc1nc(N2CCN(C(=O)OCC)CC2)nc2cc(OC)c(OC)cc12	82132055	PYQMTTKXZPPHDO-UHFFFAOYSA-N	389.456	2.357	0	1	GEAF	
C[C@@H]1CN([C@H](C)CO)C(=O)c2cccc(N(C)C)c2O[C@H]1CN(C)CC1CC1	95854644	NQBYIEPUWCEMNR-QINHECLXSA-N	389.540	2.315	0	1	GEAF	
O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2CC2CCCCC2)O1)NCC1CC1	95885627	BDMSGZPXHUILRR-BURNTYAHSA-N	394.556	2.092	0	1	GEAF	
CCN(C[C@@H]1N[C@@H](CO)[C@H]1c1ccc(-c2cccc(F)c2)cc1)C(=O)COC	95895151	AQAKAJMSJAYAPH-ONTIZHBOSA-N	386.467	2.404	0	1	GEAF	
CN(c1ncnc2[nH]ccc12)[C@H]1CC[C@H](CS(=O)(=O)N2CC[C@@H](F)C2)CC1	117611985	NETGVMWNCJQIAR-KFWWJZLASA-N	395.504	2.327	0	1	GEAF	
COc1ccc2nc(-c3nn(C)c(C(=O)O)c3I)[nH]c2c1	587181540	USSJQHJZOMYKDE-UHFFFAOYSA-N	398.160	2.275	0	1	GEAF	
COC(=O)C(=O)C[C@@]1(c2ccn(C)n2)CC(=O)c2ccc3c(c2O1)CCCC3	587516939	XUIPFVRMLCZNHW-OAQYLSRUSA-N	382.416	2.292	0	1	GEAF	
CC(=O)N[C@@H]1[C@@H](c2ccccc2)N(C(=O)COc2ccccc2)CC[C@@]1(C)O	2356288292	ADMDBDMTSNLYCR-YPAWHYETSA-N	382.460	2.295	0	1	GEAF	
OC[C@@H]1[C@H](O)C[C@H](NC2CCCCC2)[C@@H]1Cc1ccnc(-c2cccnc2)n1	2356288616	IAFYNFFDTUUFOL-IVAOSVALSA-N	382.508	2.361	0	1	GEAF	
CC=C(C)C(=O)O[C@@H]1C[C@H]2C[C@@H](OC(=O)[C@@H](CO)c3ccccc3)C[C@H]1N2C	2356331743	OPGJHCLCUNWOSH-OUUBHVDSSA-N	387.476	2.419	0	1	GEAF	
COC(=O)[C@]1(CO)C[C@@]23CCCN4CC[C@@]5(c6ccccc6N(C)[C@@]15CC2)[C@H]43	2356721419	DLVUJHTUTZGNKC-KNQBKSORSA-N	382.504	2.317	0	1	GEAF	
Cc1ncc2c(n1)[C@@H]1Oc3c(O)ccc4c3[C@@]13CCN(CC1CC1)[C@H](C4)[C@]3(O)C2	13800210	TXYHVHRAQHKCHR-LMDOGRNLSA-N	391.471	2.190	0	1	GEAF	
CNC(=O)[C@@H](c1ccc(-c2ccc(F)cc2)cc1)[C@H](N)C(=O)N1CC[C@H](F)C1	14947760	NPNIROOXILGOHF-FHWLQOOXSA-N	387.430	2.220	0	1	GEAF	
CCOc1ccc(Cc2cc([C@@H]3O[C@@H](OC)[C@@H](O)[C@H](O)[C@H]3O)ccc2C)cc1	45323777	SMYUUGPPHGGHTK-LXHROKJGSA-N	388.460	2.111	0	1	GEAF	
O=C(NCC(=O)N1CCCNCC1)c1csc(-c2ccc(Cl)cc2)n1	82084865	VLAAXNBMVYGOAG-UHFFFAOYSA-N	378.885	2.015	0	1	GEAF	
O=C(Nc1ccccc1F)N[C@H]1CC[C@@H](CC(=O)N2CCCCC2)O[C@H]1CO	95675432	QWOFJLPZBFRYTI-WBAXXEDZSA-N	393.459	2.258	0	1	GEAF	
Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc(CN2C(=O)CSC2=O)cc1	199945270	TUSMOJWMXALKMY-UHFFFAOYSA-N	394.478	2.033	0	1	GEAF	
CO[C@@H]1C[C@](C)(NC(=O)C(F)(F)F)[C@@H]2O[C@H](c3ccccc3)OC[C@@H]2O1	299816621	JSDNZWQQFHOALK-JAAXMTQOSA-N	375.343	2.299	0	1	GEAF	
COc1ccc(S(=O)(=O)N[C@H](c2nc3ccc(F)cc3[nH]2)[C@H](C)O)cc1	586939280	SSEIDZBWHNABSA-QFYYESIMSA-N	379.413	2.111	0	1	GEAF	
CCOc1n[nH]c2cc(NC(=O)N[C@@H](c3ccccc3)[C@@H](O)COC)ncc12	1772578962	KNHURGVCHBTDBT-RDJZCZTQSA-N	385.424	2.227	0	1	GEAF	
O[C@@H](c1ncco1)[C@@H]1CCCN(c2ncnc3cc(N4CCOCC4)ccc23)C1	1772646820	JWEMHIXXACOGKY-DNVCBOLYSA-N	395.463	2.404	0	1	GEAF	
COc1ccc2nc(C[C@H]3CN(Cc4cnc[nH]4)CC[C@@H]3CC(=O)O)[nH]c2c1	2356305741	CESDXXRHAKAMST-KGLIPLIRSA-N	383.452	2.450	0	1	GEAF	
CCO[C@@H]1OC(C(=O)N2CCOCC2)=C[C@H](c2ccccc2)[C@H]1CCCO	13118558	YAXLDJFKHIKXLE-DBXWQHBBSA-N	375.465	2.294	0	3	GEAF	
O=C(CN1[C@H]2CC[C@@H]1CC(O)(c1cccnc1)C2)Nc1ccc2c(c1)OCO2	1348321	IECFRQIEOWBORM-QRTHJKPMSA-N	381.432	2.263	0	1	GEAF	
Cc1ccnc(N2CCN(CCCCN3C(=O)CC4(CCCC4)CC3=O)CC2)n1	26174565	HVKPLAODFCYJQO-UHFFFAOYSA-N	399.539	2.397	0	1	GEAF	
CC(C)C[C@H](CCNC(=O)[C@H](C)CCNC(=O)[C@@H](CCN)C(C)C)C(=O)O	28711763	WSLDDENUOASWEP-IKGGRYGDSA-N	385.549	2.003	0	1	GEAF	
C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(SC(=S)N3CCCCCC3)[C@H](C)[C@H]12	29389060	MBQIBWROVNTFDC-DDHJBXDOSA-N	384.523	2.034	0	1	GEAF	
CC(=O)Nc1c2n(c(=O)n(Cc3ccccc3)c1=O)C[C@H](Cc1ccccc1)N2	82205337	KZMWBWPAZJZIOJ-SFHVURJKSA-N	390.443	2.054	0	1	GEAF	
Cc1c2c(c(C(=O)O)n1C)CCc1cc(S(=O)(=O)c3ccccc3)c(=O)[nH]c1-2	95576269	TXJVEKKEWZHABL-UHFFFAOYSA-N	398.440	2.318	0	1	GEAF	
CCOC(=O)[C@@]12CC[C@](c3c(C)cccc3C)(O1)C(C(=O)OC)=C2C(=O)OC	102966509	GLFYMSNFJDGJGI-RTWAWAEBSA-N	388.416	2.267	0	1	GEAF	
CCS(=O)(=O)c1ccc(-c2cc3ncn(C)c(=O)c3c(NC3CC3)n2)cc1	115624128	NLBRXJNPVKTFIZ-UHFFFAOYSA-N	384.461	2.363	0	1	GEAF	
COc1cnn(-c2cc(N3CC(c4nc5ccccc5n4C)C3)nc(C)n2)c1	143096995	AAPZDXYYOLSIDO-UHFFFAOYSA-N	375.436	2.470	0	1	GEAF	
COC(=O)C(C)(C)NC(=O)c1cc(I)c(Cl)cn1	146342255	FOSADYXGAZIWQI-UHFFFAOYSA-N	382.585	2.021	0	1	GEAF	
C/C=C(/C)C(=O)O[C@H](C1=C(C)[C@H](O)OC1=O)[C@]1(C)[C@H](C)[C@H]2CC[C@H]1[C@@H](OC)O2	257657037	YEMKZDPASIYASW-HGCYVSTKSA-N	394.464	2.480	0	1	GEAF	endogenous,in-man
CCCOC(=O)N[C@@H](CC(C)C)C(=O)N1C[C@H]2ON=C(Br)[C@@H]2C1	473161125	ZYVXXCMWSKMEGK-GRYCIOLGSA-N	390.278	2.103	0	1	GEAF	
NS(=O)(=O)c1ccc2c(c1)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C(=O)N2	587532985	RQJNWWFNLIUIJW-HXUWFJFHSA-N	398.440	2.026	0	1	GEAF	
CN1C(=O)[C@@H](NC(=O)c2n[nH]c(Cc3ccccc3)n2)CCc2ccccc21	1857601034	DWEYACIOYHILCZ-INIZCTEOSA-N	375.432	2.103	0	1	GEAF	
O=C(NCc1cc2ccccc2[nH]1)[C@H]1CCC(=O)N(CCCN2CCCC2=O)C1	12441253	MQBWIJQOEJPXGP-KRWDZBQOSA-N	396.491	2.035	0	3	GEAF	
COCCNC(=O)[C@]1(C)CCCN(Cc2noc(-c3ccccc3OC)n2)C1	61906836	MCTZYYJXORBPBI-HXUWFJFHSA-N	388.468	2.110	0	3	GEAF	
CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H](CO)[C@@H](C)CC)N(C(=O)c2ccco2)C1	4545962	FWAFAYUTYQILIP-YVSFHVDLSA-N	380.485	2.203	0	1	GEAF	
Cn1cc(C2=C(c3cn(C)c4ccc(C(N)=O)cc34)C(=O)NC2=O)c2ccccc21	13447768	MAVRPMAQYGWFRL-UHFFFAOYSA-N	398.422	2.336	0	1	GEAF	
COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4ccsc4c3=O)C[C@@H]21	13863013	CAEZRWQRXPFXAO-XJKSGUPXSA-N	397.500	2.422	0	1	GEAF	
COC(=O)c1ccc(Cn2c(=O)cc(Nc3ccc4c(c3)CCC4)[nH]c2=O)o1	40977576	FFBLVUHMLFPLLD-UHFFFAOYSA-N	381.388	2.197	0	1	GEAF	
Cc1ccc(-c2nc(C(=O)N(C)CC(=O)NCCCN3CCCC3)co2)cc1	82073875	NHLNQYPOYFHLMI-UHFFFAOYSA-N	384.480	2.324	0	1	GEAF	
CC[C@H](C)NC(=O)c1cnc(N2CCN(C(C)=O)CC2)nc1-c1ccccc1	82133380	DJJSFIQHIIYVPM-HNNXBMFYSA-N	381.480	2.340	0	1	GEAF	
COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(CC1CC1)CC31CN(C(C)=O)C1	95865853	HRXJWPVAPYVVKN-IBGZPJMESA-N	383.492	2.046	0	1	GEAF	
CC1(O)CN(c2nc([C@@](C)(c3ccc(-c4cnc(N)nc4)cc3)C3CC3)no2)C1	114356424	YZYXGICBXDGYGC-NRFANRHFSA-N	392.463	2.396	0	1	GEAF	
C/C=C1/CN2CCc3c(n(CO)c4ccccc34)[C@@H]2C[C@@H]1[C@@H](CO)C(=O)OC	153932303	QFKQSWMJUPHGJZ-YRRANUOISA-N	384.476	2.238	0	1	GEAF	
COc1cc2c(c(O)c1OC)OC[C@H](c1cc(O)c(OC)c(OC)c1O)[C@H]2O	238786762	CYYLBUZNXKPWKU-MFKMUULPSA-N	394.376	2.047	0	1	GEAF	
NC(=O)c1cccc2nc([C@H](CC(=O)O)NC(=O)OCc3ccccc3)[nH]c12	587203690	RNPVAUHFFBCGMG-AWEZNQCLSA-N	382.376	2.104	0	1	GEAF	
CCOC(=O)[C@@]1(CC(N)=O)CCCC[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3	587433939	XMVJXCSEFPFKSU-PUCZYUMASA-N	387.432	2.180	0	1	GEAF	
CCCc1c(O)ccc2c1O[C@@](CC(=O)C(=O)OC)(c1ccn(C)n1)CC2=O	587474088	AWRWKXMDOWCDKC-FQEVSTJZSA-N	386.404	2.071	0	1	GEAF	
CC[C@@H](CO)NC(=O)c1cccc(-c2cnc3ccc(N[C@H](CC)CO)nn23)c1	1772570816	KCXBBJNHGRCSQQ-SJORKVTESA-N	397.479	2.080	0	1	GEAF	
O=C(c1ccc(Nc2nc3ccccc3n3nnnc23)c(F)c1)N1CCOCC1	1772573848	OIRBOBDCMVNWKQ-UHFFFAOYSA-N	393.382	2.028	0	1	GEAF	
NC[C@@H](NC(=O)c1ccc(-c2ccc(Cl)cn2)[nH]1)c1ncc(CO)s1	1857584337	XBKGTFMYROZVLH-CQSZACIVSA-N	377.857	2.109	0	1	GEAF	
COC(=O)[C@]1(O)C[C@@]23CCCN4CC[C@@]5(c6cccc(OC)c6N[C@@]15CC2)[C@@H]43	2356520119	ADIZHYKMXNXYPA-PQZYZXGRSA-N	384.476	2.053	0	1	GEAF	
CC1(C)O[C@@]23[C@H](O)[C@H]1[C@H](O)[C@H](OCc1ccccc1)[C@@]2(C)CCC[C@@]3(C)O	2356708501	RYQNPYYRVCATRG-QAMGIAFZSA-N	376.493	2.412	0	1	GEAF	
Cc1cc(O)c([C@@H](O)c2c(O)cccc2O)c2c1OC(C)(C)[C@@H](O)COC2	2356850029	PZQTZTHNLXNNSJ-MAUKXSAKSA-N	376.405	2.242	0	1	GEAF	
COC(=O)Cn1c(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)nnc1=O	6677989	SWTRQGBEXQPYGD-UHFFFAOYSA-N	381.388	2.163	0	3	GEAF	
c1cn(-c2ccc(O[C@H]3CCCN(Cc4ccc5c(c4)OCO5)C3)nn2)cn1	3819341	QYDFDUCNHWMTCI-INIZCTEOSA-N	379.420	2.434	0	1	GEAF	
O=C(O)Cc1nn(Cc2nc3cc(O)cc(O)c3s2)c(=O)c2ccccc12	13860786	KDKDGCCACGVEKM-UHFFFAOYSA-N	383.385	2.093	0	1	GEAF	
CN(C)CCN(C)CC[C@H]1CN(C(=O)c2cccs2)CC[C@H]1CC(=O)O	20462962	GQLMOIPNRBYALA-HOTGVXAUSA-N	381.542	2.185	0	1	GEAF	biogenic
CN(C)c1ccc(-c2cc(C(=O)N[C@H]3CCCNC3)c(NC(N)=O)s2)cc1	45497645	CURCEQQYFIGJJK-ZDUSSCGKSA-N	387.509	2.454	0	1	GEAF	
O=C(NCc1cn(Cc2cccc(Oc3ccccc3)c2)nn1)[C@H]1COC=N1	49068979	JRTGXZUHPKWDRU-LJQANCHMSA-N	377.404	2.162	0	1	GEAF	
C[C@H](c1ccc(C=O)cc1)[C@H]1[C@@H]2C=C[C@@H]3N1[C@]3(O)[C@H]2[C@H]1CC[C@@H]2[C@@H](O)CC[C@H]2N1	85547720	YGJQHYAOWQXDEG-PPQZAQITSA-N	394.515	2.051	0	1	GEAF	biogenic,in-vitro
COC(=O)c1cn(C[C@@H](Cc2ccccc2)NC(=O)Nc2ccccc2)nn1	95867197	DBLMFGOWTBVKOD-QGZVFWFLSA-N	379.420	2.498	0	1	GEAF	
C/C=C1/CN2[C@@H]3C[C@@]45c6cc(OC)c(OC)cc6N[C@]4(O3)[C@@H]2C[C@@H]1[C@@H]5C(=O)OC	95919388	CRKDVBVOAIRDNW-URNPZXPPSA-N	398.459	2.263	0	1	GEAF	biogenic,in-vitro
CC(=O)NC[C@@H]1CCN(c2c(Cl)cnc3nc(-c4cn(C)nc4C)[nH]c23)C1	95921385	KLKOJHYRAITDCX-LBPRGKRZSA-N	387.875	2.283	0	1	GEAF	in-vitro
CN1C[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@]12C(=O)Nc1ccccc12	102930592	UMKQHLAXKPCSDV-GQWAEJPESA-N	381.819	2.239	0	1	GEAF	
Cc1cncc(-c2cc3c(cn2)cnn3-c2cccc(N3CCC4(CNC4)C3)n2)n1	211007631	ONYPOVGNOIYPIW-UHFFFAOYSA-N	398.474	2.381	0	1	GEAF	
CCO[C@@H]1C=C2[C@H](O)CN3CCCc4cc(OC)c(OC)cc4[C@]23C[C@H]1OC	238777043	ORFUDMRKUQKEOM-BRKWEVRTSA-N	389.492	2.272	0	1	GEAF	
COC(=O)c1ccnc2[nH]c(C3(NC(=O)OC(C)(C)C)CCC(O)CC3)nc12	587237219	MTOLYEUSAFUVJZ-UHFFFAOYSA-N	390.440	2.399	0	1	GEAF	
C[C@]1(c2ccc(OC(F)F)cc2)NC(=O)N(CC(=O)c2ccccn2)C1=O	1857556182	LEXXNZLAXHXYOB-GOSISDBHSA-N	375.331	2.333	0	1	GEAF	
CN=c1nc(N2CC(=O)Nc3cc(OC)ccc32)c2cc(OC)c(OC)cc2[nH]1	1857565429	ATNURQQKAVLGHQ-UHFFFAOYSA-N	395.419	2.209	0	1	GEAF	
CC(C)OC(=O)[C@H](Cn1ccnc1)NC(=O)c1noc2c1CCc1ccccc1-2	1857756175	JVXKZQAWRUJEGY-KRWDZBQOSA-N	394.431	2.387	0	1	GEAF	
COc1c(/C=C/CO)c(NS(=O)(=O)c2cccs2)cc2c1OCCO2	1857773721	BSMDAUQLPHBUFL-DUXPYHPUSA-N	383.447	2.334	0	1	GEAF	
CC1=C2CC[C@]3(C[C@H](C)C(=O)O3)[C@@H]3CC[C@H]([C@@H]4C[C@H](C)C(=O)O4)N3[C@H]2OC1=O	2356449084	ZWFSQWLYDLATHD-XQVOAJNRSA-N	389.448	2.086	0	1	GEAF	
CCCCc1cc2c(cn1)=C(OC(=O)C1CCCC1)[C@](C)(OC(=O)CC)C(=O)C=2	13817770	SPHISGNOCUBVKK-HSZRJFAPSA-N	399.487	2.341	0	1	GEAF	
CC1(C)CCC(C)(C)C1OC(=O)[C@H](NC(=O)[C@@H](N)CC(=O)O)c1ccccc1	26006030	RKUNRCWOWXCZIC-GOEBONIOSA-N	390.480	2.404	0	1	GEAF	
CCN[C@@H]1CCN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C(C)(C)C)C1	28766023	CZKDOIIICOJKSF-LLVKDONJSA-N	376.432	2.177	0	1	GEAF	
Cn1ccc(N2CCc3c(-c4cccc(O)c4)nc(N4CCOCC4)nc32)n1	95594693	CTIVLWQKYBHXLK-UHFFFAOYSA-N	378.436	2.114	0	1	GEAF	
O=C(c1ccccn1)N1CC2(C1)[C@@H](c1ccccc1)[C@H](CO)N2C(=O)C1CCC1	95797750	OHFUWEOGWTZGHX-PMACEKPBSA-N	391.471	2.063	0	1	GEAF	
COc1ccc(OC2CCN(S(=O)(=O)c3c(C)nn(C)c3C)CC2)cc1F	207239384	BQQUTGKPGVPTEN-UHFFFAOYSA-N	397.472	2.417	0	1	GEAF	
CC[C@H]1CN(Cc2ccc3c(-c4cnn(C)c4)cc(C(N)=O)nc3c2)CCO1	221606745	JTVUZIYJNUEZBC-INIZCTEOSA-N	379.464	2.345	0	1	GEAF	
COc1nccc2nc(CCC(=O)Nc3nnc(-c4ccncc4)s3)[nH]c12	587023502	DVXULARMWQWDKT-UHFFFAOYSA-N	381.421	2.451	0	1	GEAF	
COc1cc2c3c(c1)O[C@@]1([C@@H](C2)C3=O)[C@H]2[C@@H]3[C@@H]4[C@@H]5C[C@@H]([C@H]42)[C@@H]1[C@@H]5C31OCCO1	587452963	MSKMBHIRHOQZKV-BJSLUUDWSA-N	378.424	2.312	0	1	GEAF	
COC(=O)CC[C@]1(C(=O)OC)N[C@@H](C)Cc2cc(Br)c(F)cc21	587805163	GZQBJIGFXNNRGP-FVMDXXJSSA-N	388.233	2.444	0	1	GEAF	
CCOC(=O)C1=NN(c2ccccc2)C(=O)C[C@@]12NCCc1ccc(O)cc12	963341636	NZYWEBLXNGLVTP-NRFANRHFSA-N	379.416	2.089	0	1	GEAF	
CCn1ncc2c1CC[C@@H](N=c1nc3c(-c4cncc(OC)c4)cccn3[nH]1)C2	1857751260	VZUXGNJWSXEGLG-MRXNPFEDSA-N	389.463	2.408	0	1	GEAF	
Nc1ncnc2c1c(Oc1cc(Cl)ccn1)nn2C[C@@H]1CCNCC1(F)F	1911575093	IZLLHUGKVKUNCP-VIFPVBQESA-N	395.801	2.494	0	1	GEAF	
CC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)N(C)Cc3ccco3)ccc21	6935443	SNGDXQVOOUJWHS-UHFFFAOYSA-N	390.461	2.011	0	3	GEAF	
CC(C)(C)c1cc(I)c(OS(=O)(=O)O)c(CN)c1	5355043	IRDCWFAOPAYRKP-UHFFFAOYSA-N	385.223	2.229	0	1	GEAF	
COc1cc(Cc2nc3c(N)ncnc3n2C[C@@H]2CCCO2)cc(OC)c1OC	13839116	SDMJRDSYBMEVRM-ZDUSSCGKSA-N	399.451	2.204	0	1	GEAF	
CCCCN(/C=C/c1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1)CCCC	29127243	GNFCEQWFEVIJCV-MRYAYROQSA-N	389.500	2.340	0	1	GEAF	
CC(=O)OCC(=O)N1c2ccccc2[C@]23CCN4C[C@@H]5[C@H](C[C@H]42)C(=CO[C@@H]5C)[C@H]13	85831151	WUOOMFMZURUOKX-DNZVMQJPSA-N	394.471	2.229	0	1	GEAF	
COc1ccc(CO/C(O)=C2\C(C)=N[C@@]3(O)c4ccccc4C(=O)[C@@]23O)cc1	103997134	HCFNCNDSJQJXSB-KUIMBALTSA-N	381.384	2.229	0	1	GEAF	
NC1=N[C@]2(CO1)c1cc(-c3cncnc3)ccc1OC1(CCCC1)C21COC1	149271849	STXYCGOXMYPZGQ-OAQYLSRUSA-N	378.432	2.406	0	1	GEAF	
CCNC(=O)c1noc2c1CN(C(=O)Nc1cc(Cl)c(O)cc1O)CC2	169310172	IXGCKEOEPKISFI-UHFFFAOYSA-N	380.788	2.079	0	1	GEAF	
CCS[C@]12O[C@]3(CCCCCN3C1=O)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12	195503585	KEAQETBYJBOAGZ-IONDEXAJSA-N	386.473	2.384	0	1	GEAF	
CCn1nccc1Oc1cc([C@@H](O)C2CCOCC2)cnc1NC(=O)NC	299837999	PWILAOBHMITSNB-INIZCTEOSA-N	375.429	2.302	0	1	GEAF	
CO[C@@H]1CCC[C@H]([C@H](C)Nc2nc(N3CCC[C@@H](C(N)=O)C3)ncc2C)C1	299881752	OOFOHMVGJVOGTA-MWDXBVQZSA-N	375.517	2.492	0	1	GEAF	
COc1cccc2cc3c(nc12)[C@@H](c1ccc(S(N)(=O)=O)cc1F)NCC3	963054547	HYGIVYBVZIPWTR-LJQANCHMSA-N	387.436	2.265	0	1	GEAF	
COc1ccc2c(c1O)CCC[C@@H](O)[C@@]2(O)c1cc(OC)c(OC)c(OC)c1	1857562252	CPDVEOMAYWZUSX-WIYYLYMNSA-N	390.432	2.360	0	1	GEAF	
CCCOP(=O)(OCCC)OC[C@@H]1C=C[C@H](n2cc(C)c(=O)[nH]c2=O)O1	6380665	GAOCQDXSOXDCAW-UONOGXRCSA-N	388.357	2.277	0	1	GEAF	
CCCC[C@H](N[C@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(=O)O	29340405	SFSPBYKWGITRFL-KSZLIROESA-N	392.496	2.446	0	1	GEAF	
COc1cc2c(cc1OC)[C@H](O)[C@@H]1c3ccc(OC)c(OC)c3CC(=O)N1CC2	39062403	NGQVCVNGCPSBRV-SFTDATJTSA-N	399.443	2.437	0	1	GEAF	biogenic
CC1(C)C[C@@]1(NS(=O)(=O)c1ccc(-n2cc(Cl)cn2)s1)C(=O)O	49000033	CIYBISDKLGJDOW-CYBMUJFWSA-N	375.859	2.119	0	1	GEAF	
C[C@H](C(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)n1cccn1	49070934	WKTNABHGNZVXNS-UZLBHIALSA-N	379.464	2.344	0	1	GEAF	
COc1ccc(CN2Cc3cc(OC)c(OS(N)(=O)=O)cc3C[C@@H]2C)cc1	84712090	OHGVAKYXNZTDPQ-ZDUSSCGKSA-N	392.477	2.233	0	1	GEAF	
CNC[C@@H]1Oc2ncc(-c3ccccc3C)cc2C(=O)N([C@H](C)CO)C[C@@H]1C	95866722	KRNBFKLEYNUIPW-YRNRMSPPSA-N	383.492	2.497	0	1	GEAF	
O=C(NCc1ccc(S(=O)(=O)c2ccccc2)cc1)c1cnc2nccn2c1	96282786	CEIPSEPTGJZGSX-UHFFFAOYSA-N	392.440	2.492	0	1	GEAF	
Cn1c(=O)c2c(nc3n2CCCN3Cc2cc(Cl)cc(Cl)c2)n(C)c1=O	103249946	ZHFFQAOQHPYQBL-UHFFFAOYSA-N	394.262	2.151	0	1	GEAF	
CN(C)S(=O)(=O)c1ccc2nc(-c3cnc(-c4cnn(C)c4)s3)[nH]c2c1	587020862	BZWDJGQSRBRSAR-UHFFFAOYSA-N	388.478	2.337	0	1	GEAF	
O=C(NCc1nc2cc(Br)cc(C(=O)O)c2[nH]1)c1cscn1	587028520	QYSFDWBKLWQWPZ-UHFFFAOYSA-N	381.211	2.410	0	1	GEAF	
CN(C)S(=O)(=O)c1ccc2nc(-c3cccc(-c4cnc(N)nc4)c3)[nH]c2c1	587254986	UDTIFICWSBLEBQ-UHFFFAOYSA-N	394.460	2.519	0	1	GEAF	
O=C(O)Cc1cc2c(O)nc(O)nc2nc1-c1ccccc1Br	587367579	ZUWXIRDRTBGLSM-UHFFFAOYSA-N	376.166	2.493	0	1	GEAF	
COC(=O)CC[C@]1(C(=O)OC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	587593212	KOPLNRZOUBFSBG-UZLBHIALSA-N	386.356	2.219	0	1	GEAF	
O=C(O)[C@H]1C[C@]2(C[C@H]1C(=O)O)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1	587612795	WIZMJGJTEPCMMZ-RCJHKNESSA-N	384.340	2.288	0	1	GEAF	
O=C(CN1CCOCC1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O	587656306	JIUOPXUNBROWIP-UHFFFAOYSA-N	385.370	2.314	0	1	GEAF	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H]1CCc2nncn2C1	587869703	NKYLEVFHRBOUBR-LLVKDONJSA-N	392.341	2.467	0	1	GEAF	
C[C@]1(CS(C)(=O)=O)N[C@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21	963175982	HGFNTQRVIJDJLN-WCQYABFASA-N	385.791	2.218	0	1	GEAF	
COc1ccc2c(c1)[C@H]([C@H](O)[C@@H](O)[C@H](C)O)N(Cc1ccc(F)cc1)CC2	963299939	BNOSDPKJQBIYDP-QRAQMOIBSA-N	375.440	2.036	0	1	GEAF	
COc1ccc(OC)c2c1C[C@H](C)N[C@]2(C)c1ccc(-[n+]2cc(=O)o[nH]2)cc1	963636470	RBJVPRYJQKHEMP-YEJXKQKISA-O	382.440	2.060	0	1	GEAF	
C[C@H](OC(=O)/C=C\c1ccc(O)cc1)[C@@H]1CC[C@H]([C@H](O)[C@H]2CC=CC(=O)O2)O1	1772490950	DEEHWRGXKJRSMV-SJFPRCBQSA-N	388.416	2.117	0	1	GEAF	
CC(=O)N1C[C@@H]2CC(Nc3nc(Nc4cnn(C)c4)ncc3Cl)C[C@H]2C1	1772643622	NVOWVAXHMPUOCA-RYUDHWBXSA-N	375.864	2.276	0	1	GEAF	
CN(C)CCCNC(=O)c1ccc2nc(-c3ccc4nc(CN)[nH]c4c3)[nH]c2c1	1911579848	SBESZBJVTIZUCV-UHFFFAOYSA-N	391.479	2.246	0	1	GEAF	
OC[C@@H]1[C@H](O)C[C@H](NCC2CCOCC2)[C@@H]1Cc1ccnc(-c2ccccc2)n1	2356388316	ZZUUBSQRRVNHPW-CLAROIROSA-N	397.519	2.060	0	1	GEAF	
C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43CO)[C@]1(O)CC[C@H]2C1=CC(=O)OC1	2356544802	DUSRIIPEQBGMHU-HJQUIEGZSA-N	388.504	2.497	0	1	GEAF	
COc1cc2c(cc1OC)[C@H](O)[C@@H]1COC(=O)[C@H]1[C@H]2c1ccc2c(c1)OCO2	2356553804	DUQMFJLPYJQVDV-RHMWYWNKSA-N	384.384	2.401	0	1	GEAF	
Cc1ccc(CNC(=O)Cn2ccc(NC(=O)OCc3ccccc3)nc2=O)o1	36389451	FRWFOUISCPZBOB-UHFFFAOYSA-N	396.403	2.210	0	3	GEAF	
Cc1ccc(S(=O)(=O)NC(=O)[C@@]2(C)CCN2C(=O)CC2CCCC2)cc1	61925641	NNEMKADZMHCNQG-LJQANCHMSA-N	378.494	2.371	0	3	GEAF	
COC(=O)[C@]1(C)N[C@H](c2ccc(-c3ccc(F)cc3)cc2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21	84457725	UUIOKJNFHNTSQS-OZQHCQBDSA-N	396.418	2.300	0	3	GEAF	
COc1ccccc1NC(=S)[C@@H]1C(=O)c2ccccc2N(C)S1(=O)=O	5993263	OFQGXQZSUYJJOY-INIZCTEOSA-N	376.459	2.466	0	1	GEAF	
CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)/C(=C/C(C)C)CC(=O)OC	26727716	QBERFMAYWTXPQT-MXHVWWQHSA-N	385.464	2.087	0	1	GEAF	
O=C(CNC(=O)c1ccc(Cl)s1)Nc1ccc(N2CCOCC2=O)cc1	28382396	ZYXACBPEINZYAF-UHFFFAOYSA-N	393.852	2.133	0	1	GEAF	
Cc1ccc(N2C(=O)N[C@@H]3CCN(S(=O)(=O)c4ccc(C)cc4)[C@H]3C2=O)cc1	36362591	VETJTIKUZRTXNZ-QZTJIDSGSA-N	399.472	2.191	0	1	GEAF	biogenic
O=C([C@H]1[C@H](CO)[C@H]2Cn3c(cccc3=O)[C@@H]1N2CC1CCCC1)N1CCCCC1	95879686	KUBXANCCBDONIG-IVOMFYJKSA-N	399.535	2.015	0	1	GEAF	
COc1nc(F)cc2nc(NS(=O)(=O)c3c(Cl)cccc3Cl)nn12	103195663	OPUDUZFZUWMMRP-UHFFFAOYSA-N	392.199	2.380	0	1	GEAF	
CC(=O)OC[C@]1(C)[C@H]2C[C@H](O)[C@]34C=C(CO)[C@H](CC[C@H]3[C@]2(C)CC[C@H]1O)C4	238773214	FRDLKANXGVGBKH-GMPGATECSA-N	378.509	2.433	0	1	GEAF	
CO[C@@H]1O[C@H](C)[C@H](NC(=O)OCC(Cl)(Cl)Cl)[C@H]2OC(C)(C)O[C@@H]12	254209869	YFKJKRUBPJRRGY-JDDHQFAOSA-N	392.663	2.363	0	1	GEAF	
Nc1cc(C(F)(F)F)c(-c2cc(N3CCCC3)nc(N3CCOCC3)n2)cn1	584905499	LAOJHMTYUJTJTR-UHFFFAOYSA-N	394.401	2.576	0	1	GEAF	in-vitro
COc1ccc(S(=O)(=O)N[C@H](c2nc3ccc(F)c(C)c3[nH]2)[C@@H](C)O)cc1	586935221	COIKBSBNNPSMLF-DIFFPNOSSA-N	393.440	2.419	0	1	GEAF	
Cn1nc(-c2nc3c(I)cnc(Cl)c3[nH]2)c(F)c1O	587156272	SDAVXTMIMYSFKI-UHFFFAOYSA-N	393.547	2.461	0	1	GEAF	
O=C1c2ccccc2C(=O)N1CCN1CCN(Cc2cc(F)cc(F)c2)CC1	1772599317	NOEBEKNUIXZPEU-UHFFFAOYSA-N	385.414	2.379	0	1	GEAF	
O=C1C[C@@](O)(C(F)(F)F)c2c(n[nH]c2C2CCN(c3cccnc3)CC2)N1	1857609267	LIXQONFUJBFYGI-INIZCTEOSA-N	381.358	2.281	0	1	GEAF	
CN(C)CCNC(=O)[C@H]1c2ccccc2C[C@@H]1NC(=O)c1cc2ccccc2[nH]1	1857635147	KXYMOVSEAHKZNO-FPOVZHCZSA-N	390.487	2.284	0	1	GEAF	
CNC(=O)c1cc(C(=O)N[C@H]2CCOC2)cc2c1O[C@H](CF)[C@H]2c1ccccc1	1911578870	VHGJXOIGDYSSOR-IPELMVKDSA-N	398.434	2.427	0	1	GEAF	
COc1cc(OC)c(-c2nnc(-c3ccc(S(N)(=O)=O)cc3)o2)c(OC)c1	1911579744	YMJIURKZLQJZQR-UHFFFAOYSA-N	391.405	2.077	0	1	GEAF	
CCCCNC(=O)C[C@H]1C(=O)N(CCCOC)C2=CCCCC[C@]21C(=O)OC	203464249	FCIPRYBCWANDQC-HRAATJIYSA-N	394.512	2.405	0	3	GEAF	
COc1ccc(CC(=O)N[C@H]2C[C@@H](c3nc(-c4ccccn4)no3)N(C)C2)cc1	12529776	YGGQQKOYXYPVOE-YJBOKZPZSA-N	393.447	2.244	0	1	GEAF	biogenic
CC(=O)OC[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C	13863358	QEDGEMHEKUJZEF-UGKGYDQZSA-N	396.487	2.395	0	1	GEAF	
CC(C)(C)C(=O)CSc1nc2ccccc2c(=O)n1CCN1CCOCC1	20643603	BOYFEZPQXFFRGV-UHFFFAOYSA-N	389.521	2.436	0	1	GEAF	
C[C@@H](NC(=O)[C@@]1(Cc2ccccc2)CCN1C(=O)OCc1ccccc1)C(N)=O	33818868	WJMNYZMSFOBXQL-ZHRRBRCNSA-N	395.459	2.000	0	1	GEAF	
CNC(=O)c1cn2ncnc(Nc3cc(C(=O)NC4CC4)ccc3C)c2c1C	64621986	VKYVSQOLCSKZRT-UHFFFAOYSA-N	378.436	2.342	0	1	GEAF	
O=C1[C@@H]2CCSN2C(=O)N1CCCCNC[C@H]1CCc2ccccc2O1	73258617	DEWXSEHWONWXIE-CVEARBPZSA-N	375.494	2.435	0	1	GEAF	
CC(C)(NC(=O)c1nc(-c2ccc3cn[nH]c3c2)cnc1N)C1CCNCC1	84635389	VKCCKPUFPNMHLU-UHFFFAOYSA-N	379.468	2.110	0	1	GEAF	
O=C(N[C@@H]1CC[C@H](CCn2cc(C3CCCC3)nn2)O[C@H]1CO)c1cccnc1	95794148	JAHQNXWPFXREPC-GGPKGHCWSA-N	399.495	2.059	0	1	GEAF	
O=C(c1ccccn1)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)CC1CC1	95894157	NVUGYHXQYKKVPN-DYXWJJEUSA-N	377.444	2.197	0	1	GEAF	
CC(C)CNC(=O)[C@H]1CCS(=O)(=O)[C@@H]2CN(Cc3cccc(Cl)c3)C[C@H]12	96250978	ONQQSPVXRQZFPS-RCCFBDPRSA-N	398.956	2.347	0	1	GEAF	
COCC[C@H]1C[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@](C(=O)OCCO)(C2)[C@H]13	101966733	VOCSICAFSPBNRT-MTDBSEBISA-N	398.503	2.244	0	1	GEAF	
Cc1noc(C)c1Cn1cc(N2C(=O)[C@@H]3Cc4cc(O)ccc4CN3C2=O)cn1	115732103	NFQUINZKVITPDF-SFHVURJKSA-N	393.403	2.135	0	1	GEAF	
O=C(NCCCN1CCCC1)c1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1	167193768	WJTVJOUWIBDAGA-UHFFFAOYSA-N	394.519	2.455	0	1	GEAF	
OC[C@@H](O)[C@@H](O)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1	586885646	CTWOGFSOWDLBJX-GDBMZVCRSA-N	393.237	2.291	0	1	GEAF	
CCN(CC)S(=O)(=O)c1cccc(-c2nc3c(C(=O)OC)ccnc3[nH]2)c1	586931092	WCGWNGQIKKBQQT-UHFFFAOYSA-N	388.449	2.442	0	1	GEAF	
Oc1nc(S)nc2[nH]c(-c3nnn(Cc4cccc(F)c4)c3Cl)nc12	587160804	HAYPNVJCELQUHQ-UHFFFAOYSA-N	377.792	2.447	0	1	GEAF	
NC(=O)c1cccc2nc([C@@H](CC(=O)O)NC(=O)OCc3ccccc3)[nH]c12	587203692	RNPVAUHFFBCGMG-CQSZACIVSA-N	382.376	2.104	0	1	GEAF	
O=S(=O)(c1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1)N1CCCCC1	587563222	PSTXPJWDXMKTNO-UHFFFAOYSA-N	386.433	2.278	0	1	GEAF	
CC=C(C)C(=O)O[C@H](C1=C(C)[C@H](O)OC1=O)[C@]1(C)[C@@H](C)[C@H]2CC[C@H]1[C@H](OC)O2	2356528521	YEMKZDPASIYASW-PJOFEAKISA-N	394.464	2.480	0	1	GEAF	
C[C@]1(C(=O)NS(=O)(=O)c2ccccc2)CCN1C(=O)CCc1ccccc1	61927895	PHFPTYBBTIHNEE-HXUWFJFHSA-N	386.473	2.115	0	3	GEAF	
CC(=O)N1CC2(c3ccccc3)CN(C(C)=O)CC(c3ccccc3)(C1)C2=O	4825926	YBAGYNXHWJAILK-UHFFFAOYSA-N	376.456	2.156	0	3	GEAF	
CC(=O)N1CCC2(CC1)OC(=O)C(C)=C2C(=O)NCc1cccc(Cl)c1	8583897	JQNYEBMONLNLPW-UHFFFAOYSA-N	376.840	2.211	0	1	GEAF	
CC[C@@H](C(=O)NC1[C@H]2CC3C[C@H]1CC(C(N)=O)(C3)C2)N1CCCC(F)(F)C1	101074033	JPMYVYXSNDIXGT-DVLBZAJFSA-N	383.483	2.293	0	1	GEAF	
CCN[C@@H](C)[C@H]1CCN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C1	27997532	YTQCENZFVOVHPV-RYUDHWBXSA-N	388.443	2.393	0	1	GEAF	
CCN(CC)C(=O)c1[nH]cnc1C(=O)NC1CCN(C(=O)OC(C)(C)C)CC1	36388187	WGCOTQLIEBYJKE-UHFFFAOYSA-N	393.488	2.021	0	3	GEAF	
CN1CCC[C@@H](C(=O)NCc2ccc(-n3cc4cccc(C(N)=O)c4n3)cc2)C1	45347249	NWAGWYQOJGTXLT-QGZVFWFLSA-N	391.475	2.082	0	1	GEAF	
COC(=O)C1=C2Nc3cc(OC)c(O)cc3[C@@]23CCN2CC[C@@H]4OCC[C@]4(C1)[C@H]23	40972906	LZVMXRSCSWSPDH-MVWVFHAYSA-N	398.459	2.148	0	1	GEAF	in-vitro
CCOc1ccccc1-c1nc(C(=O)N[C@H](C)C(=O)OCCN(C)C)cs1	82070912	XKVUZLIFIYEPAP-CYBMUJFWSA-N	391.493	2.432	0	1	GEAF	
O=C(NCC[C@@H]1CC[C@@H](NC(=O)C2CC2)[C@@H](CO)O1)Nc1ccc(Cl)cc1	95904456	GLBDSUNETLJFTE-GVDBMIGSSA-N	395.887	2.286	0	1	GEAF	
CCC(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4ccccc4F)cc3)[C@H]2C1	95866769	HSZXWGUUBZPEQX-KNKQGSTJSA-N	382.435	2.400	0	1	GEAF	
CS(=O)(=O)N1CCc2c(ccc(-c3nc4ccc(Cl)nc4[nH]3)c2N)C1	586955132	KMCTYKLQYMTENQ-UHFFFAOYSA-N	377.857	2.178	0	1	GEAF	
O=C(CCn1c(O)nc2ccccc2c1=O)n1ncc2ccc(Cl)cc2c1=O	587654911	PPQNDVCETXMKFI-UHFFFAOYSA-N	396.790	2.196	0	1	GEAF	
CCOC(=O)[C@@]1(c2ccc(OC)c(OC)c2)NCCc2nc3ccccn3c21	962987392	WGWBOXNOFNHHEB-NRFANRHFSA-N	381.432	2.304	0	1	GEAF	
CCOC(=O)c1c([C@H]2N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)cnn1C	962727969	BMVWBUQKYWZSCO-KGLIPLIRSA-N	381.354	2.332	0	1	GEAF	
CNC(=S)N[C@H](CC(C)C)NC(=O)/C=C/c1cc(OC)c(OC)c(OC)c1	1772623382	ROVGKDTZOQMACD-KXPUMZMLSA-N	395.525	2.308	0	1	GEAF	
O=C(/C=C/c1ccc(O)cc1)OCC(O)COC(=O)/C=C/c1ccc(O)cc1	13452052	KBVRKOFXCCIDFX-YDWXAUTNSA-N	384.384	2.272	0	1	GEAF	
CC1(C)Oc2c(O)cc([C@@H]3CC(=O)c4c(O)cc(O)cc4O3)cc2[C@@H](O)[C@@H]1O	14708765	UHWLHTOOVRRTDW-YJLNNSPDSA-N	388.372	2.075	0	1	GEAF	biogenic
CSc1nc(N)c2nc(-c3ccc(P(=O)(O)O)o3)n(CC(C)(C)C)c2n1	40938343	IATLAFGCICJHDU-UHFFFAOYSA-N	397.397	2.240	0	1	GEAF	
C[C@@H](O)c1ccc(S(=O)(=O)N2CCN(CCc3ccncc3)C[C@H]2C)cc1	42889388	ABCLLSIJJSYZCJ-IAGOWNOFSA-N	389.521	2.072	0	1	GEAF	
CC(C)(c1ccc(C(N)=O)cn1)[C@H](O)OCc1conc1-c1ccc(F)cn1	169707496	ADFOVFQKGCCYAY-GOSISDBHSA-N	386.383	2.182	0	1	GEAF	
COCc1cn(C2=NCC(=O)N3CCc4c(cccc4-c4ncc[nH]4)C3=C2)cn1	231366507	YVVZOERJABRYLA-UHFFFAOYSA-N	388.431	2.106	0	1	GEAF	
COc1cc(C2=NCC(=O)N(C)c3cc4c(cc32)OCO4)cc(OC)c1OC	299867529	QFBARWWKWKAEOR-UHFFFAOYSA-N	384.388	2.255	0	1	GEAF	
COc1ccc2nc(Cn3c(=O)cc(C(F)(F)F)c4c(C)nn(C)c43)[nH]c2n1	587129125	UANGIQAURRNXOC-UHFFFAOYSA-N	392.341	2.390	0	1	GEAF	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCc3nc(O)c(S(C)(=O)=O)cc31)O2	587409125	KJSFWSGKNCOSKH-IBGZPJMESA-N	388.445	2.278	0	1	GEAF	
CCOC(=O)CN1C(=O)[C@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2ccccc21	587436224	OIQONNPWNDIFOT-QRQCRPRQSA-N	393.395	2.248	0	1	GEAF	
C[C@@H](C(=O)N1CCN(c2ccccc2Cl)CC1)N1C(=O)CC(C)(C)C1=O	653791268	BCQXVDXPHBZHCH-ZDUSSCGKSA-N	377.872	2.162	0	1	GEAF	
Fc1cccc(-n2cnc3c(NCc4ncc[nH]4)nc(N4CCOCC4)nc32)c1	1857759968	BAKZCLXZBMYRGA-UHFFFAOYSA-N	394.414	2.126	0	1	GEAF	
O=C1CO[C@@H]2CN(Cc3ccc4c(c3)OCO4)C[C@H]2N1Cc1ccc(F)cc1	2356286489	ZCTAURZHUGIXID-YLJYHZDGSA-N	384.407	2.166	0	1	GEAF	
CC(=O)OCCCC[C@H](C)[C@H](OC(=O)[C@@H](C)OC(C)=O)[C@H](C)COC(C)=O	2356534475	CVXBSCIZJSRZCZ-LWGWVAHUSA-N	388.457	2.419	0	1	GEAF	
CC[C@H]1C[C@H]2C[C@@]3(C(=O)OC)c4[nH]c5cc(OC)ccc5c4[C@H](O)CN(C2=O)[C@@H]13	2356785235	SALCHJKMWLNFPY-GQRIKPJKSA-N	398.459	2.281	0	1	GEAF	
O=C(Nc1ccc(F)c(Cl)c1)Nc1nnc([C@H]2C[C@H](O)[C@@H](CO)O2)s1	61904848	JISCUNQVNLSQIK-HBNTYKKESA-N	388.808	2.158	0	3	GEAF	
Cc1ccc(S(=O)(=O)NC(=O)[C@]2(C)CCN2C(=O)c2cccc(F)c2)cc1	61926393	FLENWAQSGCETAW-IBGZPJMESA-N	390.436	2.244	0	3	GEAF	
Cc1ccc(C(=O)NCC(=O)OCc2nc3sc(C)c(C)c3c(=O)[nH]2)cc1	201451837	BFSVPMXKRDVHND-UHFFFAOYSA-N	385.445	2.383	0	3	GEAF	
C[C@@H]1CN(CCCCn2cnc3c(=O)[nH]c(Nc4ccccc4)nc32)C[C@@H](C)N1	22933677	SIEXHGADVYZANN-HZPDHXFCSA-N	395.511	2.326	0	1	GEAF	
O=c1[nH]c(=O)n(Cc2ccccc2)c2nc(-c3cnn(Cc4ccccc4)c3)[nH]c12	29037267	CGSXQKBHWUONAL-UHFFFAOYSA-N	398.426	2.373	0	1	GEAF	
CC(C)c1ccc(Cc2ccccc2O[C@@H]2C[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1	34641488	YPTBUFXDOWDOME-FXILAVBZSA-N	386.488	2.243	0	1	GEAF	
CC(C)n1c(=O)c(C(=O)NC2C[C@@H]3CC[C@H](C2)N3CCO)cc2ccccc21	39141267	MIEQAWKQDMBOLO-AYHJJNSGSA-N	383.492	2.300	0	1	GEAF	
C[C@@H](Oc1cc(-c2cnnn2C)cnc1N)c1cc(F)ccc1-n1nccn1	103249667	OEAYZBGGCSQPKK-LLVKDONJSA-N	380.387	2.319	0	1	GEAF	
O=c1nc(OC[C@H]2COCCO2)cc2n1CCc1cc(C3=CCOCC3)ccc1-2	142907520	LMVWRWNWERGULV-GOSISDBHSA-N	396.443	2.064	0	1	GEAF	
O=C(c1cc(Br)c(Br)o1)N1C[C@@H]2CNC[C@@H](C2)C1	169711272	QCALFEPRDXKIOG-OCAPTIKFSA-N	378.064	2.486	0	1	GEAF	
COc1ccc(C(=O)N2CCN(CCOc3ccc4c(c3)OCO4)CC2)cc1	205777930	JSVQMWDVJKCFFX-UHFFFAOYSA-N	384.432	2.261	0	1	GEAF	
O=C(COc1cccc2cccnc12)NC[C@@H](O)CN1CCc2ccccc2C1	210239022	ZVCIZCPAJITPQB-HXUWFJFHSA-N	391.471	2.149	0	1	GEAF	in-vitro
CCCCCC(=O)O[C@H]1C[C@](C)(O)[C@@H]2CC[C@](C)(/C=C3\OC(=O)C(CO)=C31)O2	238769441	MGPYQXSGMJBBSY-BMJCVGROSA-N	394.464	2.301	0	1	GEAF	
COC(=O)CCn1cc(C(=O)C(=O)Nc2ccc(OC)nc2)c2ccccc21	653806278	NMLPARFPDUSUDE-UHFFFAOYSA-N	381.388	2.429	0	1	GEAF	
CC=C1CN2[C@H]3C[C@]45c6cc(OC)cc(OC)c6N[C@@]4(O3)[C@H]2C[C@H]1[C@@H]5C(=O)OC	2356382792	OCJLZJDDQJQQPJ-KNUOFOENSA-N	398.459	2.263	0	1	GEAF	
CC=C(C)C(=O)O[C@@H]1CC[C@H](C)[C@]2(C)[C@H](O)C3=C(C)C(=O)O[C@@]3(OC)C[C@]12O	2356713236	CDXRTRKAWMYIAC-FQTWQXNXSA-N	394.464	2.012	0	1	GEAF	
Cc1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3c(C)nn(C)c3C)C2)c1	5005306	QUQMWXRZMWVFLN-MRXNPFEDSA-N	390.509	2.385	0	3	GEAF	
Cc1ccc(S(=O)(=O)N2[C@@H](CO)CO[C@H]2CC(=O)c2cccs2)cc1	95600523	CFFIYJSYVGFTKJ-GUYCJALGSA-N	381.475	2.037	0	3	GEAF	
CCOCCCNC(=O)c1ccc(CS(=O)(=O)c2ccccc2OC)o1	5042897	KKHRQQWDVQMDIL-UHFFFAOYSA-N	381.450	2.419	0	1	GEAF	
CC(C)(C)OC(=O)N1CCC(N2CCN(Cc3ccccc3)C(=O)C2=O)CC1	8608432	HCMXIFIIIZDLGA-UHFFFAOYSA-N	387.480	2.257	0	1	GEAF	
O=S(=O)(c1ccc(-c2ccnc(Nc3ccccc3)n2)cc1)N1CCNCC1	13588914	QJFSYXKBSGYKAS-UHFFFAOYSA-N	395.488	2.481	0	1	GEAF	
CNC(=O)c1cc([C@@H](O)CN[C@H](C)CCc2ccc3c(c2)OCO3)ccc1O	26989176	ZUISJROWNZWYHH-ACJLOTCBSA-N	386.448	2.125	0	1	GEAF	
C[C@H]1CCC/C=C/[C@@H]2C[C@H](OC(=O)CCC(=O)O)C[C@H]2[C@H](O)/C=C/C(=O)O1	27074747	IXNGCUAZCXPKBG-JINLWZCSSA-N	380.437	2.378	0	1	GEAF	
CNC(=O)[C@@H](CO)NCc1ccc(OCc2cccc(C(F)(F)F)c2)cc1	27657404	HVVWXGAQWWPINN-QGZVFWFLSA-N	382.382	2.481	0	1	GEAF	
CCOC(=O)N1CC[C@]2(C1)Nc1cc(OC)c(-c3cnco3)cc1C(=O)N2C	28529642	TYPZMHBQVZOWRQ-IBGZPJMESA-N	386.408	2.406	0	1	GEAF	
C[C@@H](CNC(=O)c1cn2ccnc(N3CCN(C)CC3)c2n1)c1ccccc1	28882291	XCUMYWBIOMDJEH-INIZCTEOSA-N	378.480	2.015	0	1	GEAF	
O=C([C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@@H]1N2)N1CCCCC1	95881150	AYIQDHWMXPWKFE-QCFAMHMHSA-N	397.519	2.069	0	1	GEAF	
NC1=NN(c2ccccc2)C(=O)[C@@H]1C(=O)C(=O)Nc1ccc(Cl)c(Cl)c1	102952893	HEMQIVNWFZHJMJ-CYBMUJFWSA-N	391.214	2.436	0	1	GEAF	
COc1ccc(-c2nn3c(-c4ccc(S(N)(=O)=O)cc4)nnc3s2)cc1	103269641	SRYUHNRSWIZABG-UHFFFAOYSA-N	387.446	2.176	0	1	GEAF	
COc1cc(-c2cnc3ccc(NC(=O)NCCCCO)nc3n2)ccc1O	169711827	DCTSFNQDKNOVNW-UHFFFAOYSA-N	383.408	2.300	0	1	GEAF	
COCCCn1ccc2cnc([C@H](C)N(C(=O)[C@H]3CNCCO3)C3CC3)cc21	220206452	MUZLZHCBFFQFFL-MGPUTAFESA-N	386.496	2.113	0	1	GEAF	
CN(Cc1nc2cc3c(cc2[nH]1)OC(F)(F)O3)S(=O)(=O)c1cccnc1	586929474	VOZQZJACRUDEMQ-UHFFFAOYSA-N	382.348	2.100	0	1	GEAF	
O=C1Cc2c3c(n(-c4cccc(-c5cccc(C(=O)O)n5)c4)c2O1)OC(=O)C3	587937522	MGGLMEDEYPOKNG-UHFFFAOYSA-N	376.324	2.161	0	1	GEAF	
CO[C@@H]1O[C@H]2O[C@@H]3C[C@]45C[C@@](C)(O)[C@H](CC[C@H]4[C@@](C)(O3)[C@H]2CC1(C)C)[C@H]5O	1857554913	SLHRDPSYEBUEFU-NJTAXEPFSA-N	382.497	2.411	0	1	GEAF	
C1=CC(c2noc([C@H]3CCCN3Cc3ccccn3)n2)=CN[C]1N1CCOCC1	2356837421	NQIODRNCPHRVQJ-GOSISDBHSA-N	393.471	2.124	0	1	GEAF	
O=C(NCc1cccs1)c1ccc2sc([C@H]3C[C@H](O)[C@@H](CO)O3)nc2c1	61906257	NDMSXZDUTPYONJ-RRFJBIMHSA-N	390.486	2.471	0	3	GEAF	
C[C@@H](N)[C@@H]1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C1	3790468	UBOWFNLNGQTYJB-NXEZZACHSA-N	377.391	2.486	0	1	GEAF	
N=C(N)c1cccc(Oc2ccc(C(N)=O)c(Oc3cccc(C(=N)N)c3)n2)c1	13797418	AHGDYLUQZBUCBX-UHFFFAOYSA-N	390.403	2.333	0	1	GEAF	
COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1OS(=O)(=O)O	14813760	TUEWEAXVGDUYJZ-UHFFFAOYSA-N	380.330	2.061	0	1	GEAF	biogenic
COC(=O)c1ccc(NC(=O)c2ccc3[nH]c4c(c3c2)[C@@H](C)CNC4=O)cn1	28902229	BOMJDFMGBLZPOK-JTQLQIEISA-N	378.388	2.449	0	1	GEAF	
CC[C@H]1Cn2c(c(NCc3cc4ccccc4o3)c(=O)n(CCOC)c2=O)N1	82207372	JUQUBAGEPBCQNH-AWEZNQCLSA-N	384.436	2.219	0	1	GEAF	
COc1cc2ncnc(NNC(=S)NC(=O)c3ccccc3)c2cc1OC	84709215	AEEQXIANYWLFMJ-UHFFFAOYSA-N	383.433	2.278	0	1	GEAF	
CCCNC(=O)N1[C@H](CO)[C@@H](c2ccccc2)[C@H]1CNC(=O)c1ccccc1	95895327	BDBCNCHRSQLNJW-AQNXPRMDSA-N	381.476	2.365	0	1	GEAF	
CCCNC(=O)N[C@@H]1CC[C@H](CCn2cc(C3CCCCC3)nn2)O[C@@H]1CO	95903204	DEXIUYVPHBRLOT-ZHALLVOQSA-N	393.532	2.334	0	1	GEAF	
O=C(Nc1ccc(F)cc1)N[C@H]1CC[C@@H](CC(=O)N2CCCCC2)O[C@H]1CO	95906014	KCKILWFDBJPGIO-BZSNNMDCSA-N	393.459	2.258	0	1	GEAF	
CC[C@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cc(C)on1	101161434	VYOMLNMMWYPDOS-LBPRGKRZSA-N	398.419	2.293	0	1	GEAF	
Cn1cnc2cc(-c3ccc(C(C)(C)O)nc3)nc(NCC(C)(C)CO)c2c1=O	115626429	UQXBZSJUHLHGAB-UHFFFAOYSA-N	397.479	2.048	0	1	GEAF	
Cc1cc(C)nc(N2C[C@H]3CCN(C(=O)c4ccccc4-n4nccn4)C[C@H]32)n1	145733921	GCJLLSZIAIAWSK-VQIMIIECSA-N	389.463	2.025	0	1	GEAF	
O=c1n(CCCCNC[C@H]2CCc3ccccc3O2)c(O)c2n1CSC2	169725340	SGZHZVDWIAURCO-OAHLLOKOSA-N	375.494	2.323	0	1	GEAF	
CC1(C)[C@H](Nc2c(C(N)=O)cnn3cc(-c4cncnc4)cc23)CC[C@]1(C)N	1772624989	KTNYQFCEHIXUFJ-UZLBHIALSA-N	379.468	2.208	0	1	GEAF	
CN1[C@H]2COC[C@H]1CC(OC(=O)c1cn(-c3cncnc3)c3ccccc13)C2	1772643781	FLXXKLPIIBLTAG-HUUCEWRRSA-N	378.432	2.439	0	1	GEAF	
CS(=O)(=O)Nc1ccc(-c2cncc(/C=C3\SC(=O)NC3=O)c2)cc1	1857548283	IMUDILUTOPVIKR-AUWJEWJLSA-N	375.431	2.444	0	1	GEAF	
C[C@@H](N=c1[nH]c(-c2cccc(C(F)(F)F)n2)nc(=NCC(C)(C)O)[nH]1)C1CC1	1857649544	BMMLVEOASUDOHV-SNVBAGLBSA-N	396.417	2.189	0	1	GEAF	
CC=C1CN(C)C[C@]2(C(=O)OC)Cc3c(n(OC)c4ccccc34)C(=O)C[C@H]12	2356416011	FFGSUUFWXITFBY-VGOFRKELSA-N	382.460	2.496	0	1	GEAF	
CCc1ccc2c(c1)N1C(=O)C[C@@H]3OCC=C4CN(C)CC[C@@]25C(=O)C[C@H]4[C@H]3[C@@H]15	2356604353	YVZSCHMJJIWFCR-BIYXDVFHSA-N	392.499	2.472	0	1	GEAF	
COc1cc2c(cc1OC)[C@]13CN4CC5=CCCO[C@@H]6CC(=O)N2[C@@H]1[C@H]6[C@H]5C[C@H]43	2356724881	BXGUWCVZAVIITQ-WGTFHQENSA-N	394.471	2.110	0	1	GEAF	
CCC(=O)Nc1ccc(NC(=O)CSc2nnnn2-c2cccnc2)cc1C	1357575	GCDOVQHMUZEWAJ-UHFFFAOYSA-N	397.464	2.445	0	3	GEAF	
Cc1ccc(C2=NN(CC(=O)N3CCN(c4ccccn4)CC3)C(=O)CC2)cc1	4708498	ZXFDGOYROHATBK-UHFFFAOYSA-N	391.475	2.065	0	1	GEAF	
COc1c(C(=O)O)cc2c(c1CCn1cnc3c1NC=NC[C@@H]3O)CCCC2	13861936	MMCPYGUEHSGHMU-INIZCTEOSA-N	384.436	2.199	0	1	GEAF	
COc1cccc(NC(=O)N2CCC[C@@H](O)[C@H](NC(=O)c3ccc(O)cc3)C2)c1	15672225	QBEYRFCNKQRWEQ-RTBURBONSA-N	399.447	2.188	0	1	GEAF	biogenic
C[C@H](CCCN1C(=O)CC2(CCCC2)CC1=O)N1CCN(c2ncccn2)CC1	29414342	FUVACMNUGRWVAV-GOSISDBHSA-N	399.539	2.477	0	1	GEAF	
CN1CCN(C(=O)c2cccc(COc3ccc4[nH]c(=O)ccc4c3)c2)CC1	45339033	XBVZSEJOFIGPTG-UHFFFAOYSA-N	377.444	2.495	0	1	GEAF	
CC(=O)N1CCN(C(=O)Nc2ccc(N3CC[C@@H](N4CCC[C@@H]4C)C3)cc2)CC1	59260776	BCCVUKGKQRRJOM-LAUBAEHRSA-N	399.539	2.446	0	1	GEAF	
Cc1noc2ncn(CC(=O)Nc3ccc(CN4CCCCC4)cc3)c(=O)c12	71928012	FEKUUTCSSNYPSE-UHFFFAOYSA-N	381.436	2.318	0	1	GEAF	
Cn1cc(NC(=O)c2ccc3cnc(N[C@@H]4CCCC[C@@H]4N)nn23)c(Cl)n1	473154840	MFKWWRHKHQQSTQ-NWDGAFQWSA-N	388.863	2.050	0	1	GEAF	
CN(C)[C@H]1CC[C@H](N=c2nc[nH]n3ccc([C@H]4CC[C@@H](C(N)=O)CC4)c23)CC1	1857770279	BGBIYRFKZBBZMB-DSPLQEQRSA-N	384.528	2.195	0	1	GEAF	
O=C(NC1CCCCC1)O[C@@H]1CO[C@@H]2[C@@H]1OC[C@H]2n1cc(-c2ccccn2)nn1	2356816358	DALLJYDIRGVNDH-AKHDSKFASA-N	399.451	2.106	0	1	GEAF	
CC1(N)CN(c2c(F)cc3c(=O)c4c(=O)[nH]sc4n(C4CC4)c3c2F)C1	577251	VONVCDFJKVENBE-UHFFFAOYSA-N	378.404	2.055	0	1	GEAF	
O=C1Nc2ccc(S(=O)(=O)N3CCC[C@@H]3CNc3ccccc3)cc2C1=O	1996395	UMHSZDAKIVGDNR-CQSZACIVSA-N	385.445	2.087	0	1	GEAF	
COc1ccccc1N1C(=O)[C@H](Cc2ccccc2)N=C1N1CCN(C)CC1	9644805	RHLUBGAAFPZYLN-SFHVURJKSA-N	378.476	2.257	0	1	GEAF	
CCc1ccc(NS(=O)(=O)c2ccc(F)cc2)c(C(=O)O)c1OCC(=O)O	14965099	WJXABXZRNKBCSN-UHFFFAOYSA-N	397.380	2.351	0	1	GEAF	
CCNC[C@@H]1CCN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C(C)(C)C)C1	28767480	OIAGICXRRZIQDE-LBPRGKRZSA-N	390.459	2.425	0	1	GEAF	
CCOC(=O)c1cnc(N2CCN(C(=O)N[C@H]3CCCCO3)CC2)c(Cl)c1	71280831	PGYCLJFMRWMKRB-OAHLLOKOSA-N	396.875	2.270	0	1	GEAF	
O=C(c1csc(Nc2ccccc2)n1)N1CCC[C@@H](C(=O)N2CCNCC2)C1	82081477	NHKHSAVIZKODFU-OAHLLOKOSA-N	399.520	2.171	0	1	GEAF	
O=C(CN1[C@@H]2CC[C@@H]1CC(O)(c1cccnc1)C2)Nc1ccc2c(c1)OCO2	100984592	IECFRQIEOWBORM-IAGOWNOFSA-N	381.432	2.263	0	1	GEAF	
C[C@H]1Cn2c(nnc2-c2cnccn2)C(=O)N1Cc1cc2c(cc1Cl)OCO2	219122132	UEGDCDFUXYYEBM-JTQLQIEISA-N	398.810	2.162	0	1	GEAF	
CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1[C@H]2COC[C@H]1C[C@@H](C(N)=O)C2	253884009	RHXKGFMFYVEJCA-BRXULGCHSA-N	380.872	2.140	0	1	GEAF	
CN(C)S(=O)(=O)c1cccc2nc([C@H]3CSCN3C(=O)C(C)(C)C)[nH]c12	587043028	OWNCNHMNRUHNLB-GFCCVEGCSA-N	396.538	2.433	0	1	GEAF	
Cc1c(I)cnn1[C@H](C)c1nc2cc(N)c(N)cc2[nH]1	587182771	SEORYPNFVZSBQT-SSDOTTSWSA-N	382.209	2.446	0	1	GEAF	
NS(=O)(=O)c1cc(C(=O)n2ncc3ccc(Cl)cc3c2=O)ccc1Cl	587653978	FXDDRDIEHLPURV-UHFFFAOYSA-N	398.227	2.039	0	1	GEAF	
C[C@H](O)CNc1nc(N2CCOCC2)nc(O)c1-c1nc2ccccc2s1	1772642957	RCMQETDXZQZELZ-NSHDSACASA-N	387.465	2.088	0	1	GEAF	
COc1ncc(-c2cc3c(c(NC(C)=O)c2)COC3)cc1NS(C)(=O)=O	1857581312	XDUZNXJONXNYIP-UHFFFAOYSA-N	377.422	2.117	0	1	GEAF	
OC[C@H]1[C@H](Cc2ccnc(C3CC3)n2)[C@H](NC2CCC(F)(F)CC2)C[C@H]1O	2356287002	BOJKKHGDLSOGQC-WNRNVDISSA-N	381.467	2.422	0	1	GEAF	
CNC(=O)Cn1cc(C(=O)[C@@H]2CS[C@H](c3cccnc3)N2)c2ccccc21	13737497	FWMQYIRROZJAEN-OXJNMPFZSA-N	380.473	2.369	0	1	GEAF	
CC(=O)N1CCC(N2C[C@@H]3C[C@H](C2)Cn2c3ccc(-c3cccnc3)c2=O)CC1	25427530	SCVPMJAFVHQECG-MJGOQNOKSA-N	392.503	2.340	0	1	GEAF	biogenic
COc1ccc(CCNC[C@@H](O)COC(=O)c2ccc(F)cc2)cc1OC	25970323	CIPMWZRHLSAGAX-QGZVFWFLSA-N	377.412	2.193	0	1	GEAF	
COc1cc(-n2cc(C(=O)c3cc(OC)c(OC)c(OC)c3)nn2)ccc1O	66259250	PJIWSOCUEYKFQF-UHFFFAOYSA-N	385.376	2.238	0	1	GEAF	
CC[C@@H]1Cn2c(c(NCc3cc4ccccc4o3)c(=O)n(CCOC)c2=O)N1	82207370	JUQUBAGEPBCQNH-CQSZACIVSA-N	384.436	2.219	0	1	GEAF	
CC(=O)N1CCN(C(=O)C[S@](=O)C2c3ccccc3-c3ccccc32)CC1	84757566	NSGTXPDWQWRIGW-HHHXNRCGSA-N	382.485	2.196	0	1	GEAF	
CN(C)CCn1cc(-c2cnc3nnn(Cc4ccc5ncccc5c4)c3n2)cn1	95556924	BWWZBAPDCWXGKS-UHFFFAOYSA-N	399.462	2.243	0	1	GEAF	
O=C(c1cccnc1)N1CC2(C1)[C@@H](c1ccccc1)[C@H](CO)N2C(=O)C1CCC1	95794130	SUBNAZNMSQVXDD-PMACEKPBSA-N	391.471	2.063	0	1	GEAF	
NC(=O)C[C@@H](Nc1cccc(O)c1)C(=O)Nc1nc2ccc3[nH]ncc3c2s1	202049256	UBGXMRPQIYVDEN-CQSZACIVSA-N	396.432	2.173	0	1	GEAF	
O=c1cc(N2CCOCC2)[nH]c2c(-c3cn(-c4ccccc4O)nn3)cccc12	204312774	WVQTZJSVVAKLTH-UHFFFAOYSA-N	389.415	2.318	0	1	GEAF	
CCS(=O)(=O)c1ccccc1-c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1	586922867	UHTOGTBLQCOLPX-UHFFFAOYSA-N	393.490	2.274	0	1	GEAF	
Cc1c(Br)cnc2nc(-c3ccc(CS(N)(=O)=O)cc3)[nH]c12	586929350	AXUCYVGAZJCWAE-UHFFFAOYSA-N	381.255	2.484	0	1	GEAF	
N=C1NCCN1CCCC[C@H]1CNC(=N)N1CCc1cccc(C(F)(F)F)c1	1857752647	WBRQALJQEKECFJ-INIZCTEOSA-N	396.461	2.467	0	1	GEAF	
COCCN[C]1C=C(c2noc([C@H]3CCCN3Cc3ccncc3)n2)C=CN1	2356809443	BESUFKCLZWHNFS-QGZVFWFLSA-N	381.460	2.027	0	1	GEAF	
CC(=O)[C@H]1[C@@H](c2cccc(Br)c2)NC(=O)N[C@]1(O)C(F)(F)F	4162865	CWAAEQZINSDVHP-HOSYDEDBSA-N	381.148	2.259	0	1	GEAF	
O=C(O)CCC/C=C\C[C@H]1[C@@H](O)CC[C@@H]1NS(=O)(=O)c1ccc(F)cc1	28224284	YJYLLUDMJAMBPX-SQXYPXJTSA-N	385.457	2.445	0	1	GEAF	
C[C@H](Cc1ccc(OCC(=O)O)cc1)NC[C@H](O)c1cc(Br)no1	28647235	KCHQLMBKWLCKFU-MFKMUULPSA-N	399.241	2.155	0	1	GEAF	
CC(C)(C)c1ocnc1/C=c1\[nH]c(=O)/c(=C/c2cccc3ccccc23)[nH]c1=O	34986842	FECNUIMLIZJZIH-ZAORYEFMSA-N	387.439	2.160	0	1	GEAF	
COc1c(N2CCN(O)[C@H](C)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12	72142678	RHFLRQZQILXMAJ-SNVBAGLBSA-N	391.399	2.082	0	1	GEAF	
C[C@@H](Nc1ccccc1)c1cc(C(=O)O)cn2c(=O)cc(N3CCOCC3)nc12	299825273	FFPYSWFIIWOKHH-CQSZACIVSA-N	394.431	2.402	0	1	GEAF	
CCOC(=O)C(=O)NC[C@@]1(c2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	587430604	WARZFQZDOYHQRR-ZHRRBRCNSA-N	395.411	2.017	0	1	GEAF	
COc1cc(O)c2c(c1)-c1cccc(c1)[C@@H](O)[C@H](O)[C@@H](N)C=CC[C@H](C)OC2=O	1857570032	OREQLGSRSGABHU-VXAJJQQESA-N	399.443	2.295	0	1	GEAF	
Cc1nnc(SCC(=O)Nc2ccc3c(c2)OCCO3)n1C[C@H]1CCCO1	1355792	RIHGRHFZAQODHV-CQSZACIVSA-N	390.465	2.268	0	3	GEAF	
C[C@@]1(C(=O)NS(=O)(=O)c2cccc(F)c2)CCN1C(=O)CC1CCCC1	61902665	APHFAZUHNJVBHQ-SFHVURJKSA-N	382.457	2.202	0	3	GEAF	
CCCS(=O)(=O)NC(=O)[C@]1(C)CCCN(C(=O)c2cc(F)cc(F)c2)C1	61929982	AXQYFISXWPFUTL-QGZVFWFLSA-N	388.436	2.063	0	3	GEAF	
O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)C(=O)N1CCC(Cc2ccc(F)cc2)CC1	28367307	NNGDRDBKEGGJQF-UHFFFAOYSA-N	396.422	2.415	0	1	GEAF	
CCc1cc(C(C)=O)c(O)cc1OCc1cccc(C(=O)N[C@H]2COC(=O)C2)n1	28468720	YOYRRBKRPCDENZ-OAHLLOKOSA-N	398.415	2.177	0	1	GEAF	
CCOc1ccccc1OCCNCCCCN1C(=O)[C@H]2CCCN2C1=O	35996629	ZUPZOKDTSGRKMD-MRXNPFEDSA-N	375.469	2.261	0	1	GEAF	
CN1CCN(C(=O)c2ccc3c(c2)-c2nc(N)nc(-c4ccccc4)c2C3=O)CC1	43204792	WEDKBAZTBXZYBK-UHFFFAOYSA-N	399.454	2.325	0	1	GEAF	
O=C(C1CCC1)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2Cc1cccnc1	95794218	RIIURIOLGIGWDJ-LEWJYISDSA-N	377.488	2.423	0	1	GEAF	
C/C=C/c1ccc([C@H]2[C@@H](CO)N(Cc3cncnc3)C23CN(C(C)=O)C3)cc1	95794726	OKGOKMQKHVVHPO-IEOLRMJASA-N	378.476	2.071	0	1	GEAF	
C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)OC)[C@H]2N1CC1CCCC1	100102287	YPQHVGXWEZJLQD-UYRZPPFHSA-N	386.492	2.208	0	1	GEAF	
Cc1nn(C)c2nc3ccc(S(=O)(=O)O)cc3c(NCCCN(C)C)c12	169344804	CZRILDJQQZTDMM-UHFFFAOYSA-N	377.470	2.040	0	1	GEAF	
O=C(NN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C1=O)c1cccc(Br)c1	169347239	IYWDNVOMIGEONH-PMXAPFLYSA-N	387.233	2.147	0	1	GEAF	
COC(=O)c1ccccc1S(=O)(=O)Nc1ccc2c(c1)OC(C)(C)C(=O)N2	1254032094	IDIWQPCSIWMMLE-UHFFFAOYSA-N	390.417	2.384	0	1	GEAF	
CC(=O)N1C[C@H]2CC(Nc3nc(Nc4cnn(C)c4)ncc3Cl)C[C@@H]2C1	1772643623	NVOWVAXHMPUOCA-VXGBXAGGSA-N	375.864	2.276	0	1	GEAF	
Cc1cccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)NC(=O)CS3)n1	6793574	WOZSAXBCQHKUSF-UHFFFAOYSA-N	391.474	2.237	0	3	GEAF	
Cc1cccc2cc(CN(C[C@@H]3CCCO3)C(=O)c3cnccn3)c(=O)[nH]c12	8584110	HCLWWWXXPYMUQE-KRWDZBQOSA-N	378.432	2.448	0	3	GEAF	
c1cc(C2=NCCN2)ccc1OC[C@@H]1C[C@H]1COc1ccc(C2=NCCN2)cc1	6535490	QBRHZYXVXTUXBM-OALUTQOASA-N	390.487	2.480	0	1	GEAF	
OC[C@H](O)CNc1cc2c(Nc3cccc(Br)c3)ncnc2cn1	21289051	OJFNYXBTRFDYPU-GFCCVEGCSA-N	390.241	2.296	0	1	GEAF	
CC(C)C[C@@H](CC(=O)O)NC(=O)[C@H]1CCCN(C(=O)CCC2CCNCC2)C1	26467714	LZPPYUNNJYIBTG-ROUUACIJSA-N	395.544	2.010	0	1	GEAF	
Cc1cc(NC(=O)C2=C(N3CCCC3)c3ccccc3S(=O)(=O)N2C)no1	29477292	KVWZOTYOTMUFRI-UHFFFAOYSA-N	388.449	2.020	0	1	GEAF	
COC(=O)[C@@]12C[C@H]3C[C@H]([C@@H](C)O)[C@@H]1N(CCc1c2[nH]c2cc(OC)ccc12)C3	38624772	XGWIRMWTCWJZPG-YVSMJLQZSA-N	384.476	2.235	0	1	GEAF	
COc1ccc2c(c1)-n1c(c(C(=O)O)cc(-c3ccccc3)c1=O)S2(=O)=O	82152911	PAJNNDDWZARYLX-UHFFFAOYSA-N	383.381	2.358	0	1	GEAF	
COc1cccc(/C=c2/s/c(=C\C(=O)c3ccc(C)cc3)[nH]c2=O)c1OC	100467994	CHWMGSWLGXQDID-MZTKBTAGSA-N	381.453	2.254	0	1	GEAF	
O=C([C@H]1CC12CCN(C1CCOCC1)CC2)N1CCN(c2ccncc2)CC1	103244099	XPRNBTJMAWYDGA-HXUWFJFHSA-N	384.524	2.011	0	1	GEAF	
Cc1cc(NS(=O)(=O)CCNC(=O)Cc2ccc(Cl)c(Cl)c2)no1	103248921	TZSMCCAKJZATDX-UHFFFAOYSA-N	392.264	2.390	0	1	GEAF	
C/C=C/C(=O)Nc1ccnc(Sc2c(C)nc(N3CCN(C)CC3)nc2C)n1	103254921	UDPXWYWUGCNNBS-AATRIKPKSA-N	399.524	2.301	0	1	GEAF	
COc1cc2c3c(c1)O[C@]1([C@@H](C2)C3=O)[C@@H]2[C@H]3C[C@@H]4[C@@H]2C2(OCCO2)[C@@H]2[C@H]4[C@@H]3[C@H]21	587452972	MSKMBHIRHOQZKV-SXGIJYJLSA-N	378.424	2.312	0	1	GEAF	
COC(=O)C[C@@]1(C(OC)OC)N[C@H](C)Cc2ccc(F)c(Br)c21	587789814	DPEVOFJRCZYDJU-JDNHERCYSA-N	390.249	2.500	0	1	GEAF	
Cc1ccc2cccc(OS(=O)(=O)CCCNC(=O)[C@@H](N)CC(C)C)c2n1	653845350	VONZJVPQGYIGDK-INIZCTEOSA-N	393.509	2.132	0	1	GEAF	
Nc1c(-c2nnc(S)n2C[C@H]2CCCO2)nnn1Cc1ccc(Cl)cc1	957884002	SFRLNKALPSPXRD-GFCCVEGCSA-N	391.888	2.288	0	1	GEAF	
O=C(c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1)N1[C@H]2CC[C@@H]1COC2	1772628176	MLVUVUXFLTZQMZ-OKILXGFUSA-N	379.407	2.329	0	1	GEAF	
Cc1ccc(S(=O)(=O)NC[C@H]2C[C@H]3CCN2C[C@H]3CN2CCCCC2)cc1	2356298740	YHDOCKCHGWOQHE-VAMGGRTRSA-N	391.581	2.470	0	1	GEAF	
O=C(C=Cc1ccccc1)O[C@@H]1C=CC(=O)O[C@@H]1[C@H](O)[C@H](O)c1ccccc1	2356382594	GWFOGXDMANDIHC-CIQXWFTPSA-N	380.396	2.188	0	1	GEAF	
Cn1c(=O)c2sccc2n2c(CCCC(=O)NCc3ccc(F)cc3)nnc12	4878339	NSHSRJLTKIMXHV-UHFFFAOYSA-N	399.451	2.421	0	3	GEAF	
O=c1ccc(-n2ccnc2)nn1CCCN1CCN(c2ccccc2Cl)CC1	13437639	JVEYNGGXRXIJIS-UHFFFAOYSA-N	398.898	2.295	0	1	GEAF	
Cc1noc2ncnc(N3CCC(C(=O)NCCN4CCCC[C@@H]4C)CC3)c12	20944881	BNVVMWWAOHWJIM-AWEZNQCLSA-N	386.500	2.133	0	1	GEAF	
CN(C[C@@H](O)CNCc1ccccc1)S(=O)(=O)c1cccc2cnccc12	29129807	GWRVRMFIZBEPTL-SFHVURJKSA-N	385.489	2.006	0	1	GEAF	
COCCOCCOc1ccc(-c2cc(C(N)=O)c(NC(N)=O)s2)cc1	34291003	HSTMLKQZZRBSOQ-UHFFFAOYSA-N	379.438	2.046	0	1	GEAF	
COc1cc([C@@H]2Oc3cc(OC)c(OC)c(O)c3C(=O)[C@H]2OC)ccc1O	40939219	FGWIIZSOSPHUBV-PKOBYXMFSA-N	376.361	2.455	0	1	GEAF	
O=c1[nH]c2ncc(-c3ccc(-n4cccn4)cc3)nc2n1CC1CCOCC1	82156620	UYHJRNVVRSAPDJ-UHFFFAOYSA-N	376.420	2.399	0	1	GEAF	
NC1=N/C(=N\c2cccc(I)c2)NC2(CCCCC2)N1	95617474	HMTGYTOCZCEPBI-UHFFFAOYSA-N	383.237	2.447	0	1	GEAF	
CNC[C@@H]1Oc2ncc(-c3ccccc3F)cc2C(=O)N([C@H](C)CO)C[C@@H]1C	95733541	SHRVDEFCKQVYRH-KSMMKXTCSA-N	387.455	2.327	0	1	GEAF	
Cc1cnc(Nc2cncnc2)c(C(=O)Nc2cc(-c3ccccn3)nn2C)n1	96167406	AQJNBBKCRWGUFL-UHFFFAOYSA-N	387.407	2.366	0	1	GEAF	
CN1[C@@H]2CC[C@@H]1CN(c1nc3c(cc1F)c(=O)c(C(=O)O)cn3C(C)(C)C)C2	100774188	JOBSUSVEXIDLEH-VXGBXAGGSA-N	388.443	2.272	0	1	GEAF	
Cn1c(Cc2ccc(F)cc2)cnc1-c1nc2n(c(=O)c1O)CCOC2(C)C	116826020	XGFZBPTUSKVOCQ-UHFFFAOYSA-N	384.411	2.345	0	1	GEAF	
CC(C)(O)CNC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12	169704206	GRFSXOHKPKDKRB-MRXNPFEDSA-N	398.442	2.106	0	1	GEAF	
COc1cccc(OC2CCN(S(=O)(=O)c3c(C)nn(C)c3C)CC2)c1	207194116	XZSMKHKSLZVTOK-UHFFFAOYSA-N	379.482	2.278	0	1	GEAF	
NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCN1C(=O)[C@@H]1OCc2ccccc21	209412725	MGXXZJAVTUUIHX-RBUKOAKNSA-N	399.878	2.287	0	1	GEAF	
[O-][n+]1ccccc1SCc1nc2cc(I)cnc2[nH]1	586969920	QKFVUYQJLYXZBX-UHFFFAOYSA-N	384.202	2.488	0	1	GEAF	
Oc1nc(O)c(I)c(-c2nc3ccc(F)c(F)c3[nH]2)n1	587183459	ZOGQQRMKTMATJK-UHFFFAOYSA-N	390.087	2.314	0	1	GEAF	
Oc1nc(O)c2ccc(-c3ccc(O)c(I)c3)nc2n1	587369832	PSNKLDFOLNJBEP-UHFFFAOYSA-N	381.129	2.413	0	1	GEAF	
CCOC(=O)[C@]1(c2ccc(OC)c(OC)c2)NCCc2nc3ccccn3c21	962987398	WGWBOXNOFNHHEB-OAQYLSRUSA-N	381.432	2.304	0	1	GEAF	
NC(=O)CNc1nnc(C(=O)c2nc3ccc(-c4ccccc4)cc3s2)o1	1772611051	SEIXAXFVXIZBPT-UHFFFAOYSA-N	379.401	2.475	0	1	GEAF	
CC=C(C)C(=O)O[C@@H]1CC[C@]2(O)C[C@]3(OC)OC(=O)C(C)=C3[C@H](O)[C@@]2(C)[C@H]1C	2356445409	ATTRXTZPTLILCG-PLMRHSLQSA-N	394.464	2.012	0	1	GEAF	
CC(=O)C[C@@H]1C(=O)[C@@](O)(CO)[C@H]2CC[C@@](C)(C2)[C@@H]1C=COC(=O)C=C(C)C	2356449718	VSXXXICJCOSCLJ-CFPPRVJZSA-N	378.465	2.334	0	1	GEAF	
O=C(O)[C@@H]1CCC(=O)N1C(c1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2	6005683	YIVPUSMJOZJIRH-ZDUSSCGKSA-N	383.356	2.309	0	1	GEAF	
COC(=O)C1=C[C@H](O)[C@H](O)[C@@H]2[C@@](C)(CCc3ccoc3)[C@H](CO)CC[C@@]12C	35086378	WPHMXPORMBMMMF-TWLHIMTCSA-N	378.465	2.078	0	1	GEAF	
CCC(=O)N1[C@@H](CO)[C@H](c2ccccc2)C12CN(C(=O)c1ccc(F)cc1)C2	95794122	PYDQIVDMVGAAQB-ICSRJNTNSA-N	382.435	2.417	0	1	GEAF	
CC(C)c1cn(CC[C@@H]2CC[C@H](NC(=O)C3CCCCC3)[C@H](CO)O2)nn1	95904416	IVOJAZGHNQZOGY-LNLFQRSKSA-N	378.517	2.397	0	1	GEAF	
CCOC(=O)[C@@H]1[C@H](c2ccccc2)C[C@H]2[C@@H](NC(=O)c3ccccc3)C(=O)N12	103178689	OIQHMRNJBRQMSA-OKYOBFRVSA-N	378.428	2.115	0	1	GEAF	
COC(=O)[C@@]1(C)N[C@H](c2ccccc2F)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21	169294991	GZAYNZRUDFMCMQ-LHUKNYEISA-N	382.391	2.208	0	1	GEAF	
COc1ccc(S(=O)(=O)N[C@@H](c2nc3cc(F)cc(F)c3[nH]2)[C@H](C)O)cc1	586938174	OPVROSYBCUKJLB-BJOHPYRUSA-N	397.403	2.250	0	1	GEAF	
Nc1ccc(/C=C/c2nc3ccc(C(=O)N4CCN(CCO)CC4)cc3[nH]2)cc1	587252056	RTJKOTYYYZMYEN-FPYGCLRLSA-N	391.475	2.066	0	1	GEAF	
C[C@H](O)[C@@H](NC(=O)Nc1cc2[nH]nc(N3CCOCC3)c2cn1)c1ccccc1	1772602872	OOBALUJUVPPBBS-SCLBCKFNSA-N	396.451	2.038	0	1	GEAF	
COc1ccc(OS(=O)(=O)c2ccc(N3CCN(C)C3=O)cc2)cc1OC	1772652201	AFLMHNZPSGALTA-UHFFFAOYSA-N	392.433	2.343	0	1	GEAF	
c1ccc(CN[C@@H]2CO[C@@H]3[C@H](Nc4nccc(-c5cccs5)n4)CO[C@H]23)nc1	2356311288	BUXUCNNGXPRQHJ-PSBWJHGTSA-N	395.488	2.337	0	1	GEAF	
O=C1O[C@H]2[C@H](O)C[C@H]1[C@H]1[C@H]2N(Cc2cccs2)C(=S)N1c1ccccc1	2356830982	JKSGIMZOACMFFD-NNXHMXCWSA-N	386.498	2.399	0	1	GEAF	
CC[C@@H](C(=O)N1CCOCC1)n1nc(C)c2c(C)n(-c3ccccc3)nc2c1=O	6944402	BRUPRDPUXLSFBQ-KRWDZBQOSA-N	395.463	2.009	0	3	GEAF	
Cn1cc(CCNC(=O)[C@@H]2CCC(=O)N(CCc3ccc(Cl)cc3)C2)cn1	12760485	HLOVSPTULVFQQT-QGZVFWFLSA-N	388.899	2.214	0	3	GEAF	
CC(=O)O[C@@H]1OCC=C2CN3CC[C@]45c6ccccc6N(C(C)=O)[C@H]4[C@H]1[C@H]2C[C@H]35	14919894	ZRBMSORDEMTJNR-WABZUUDDSA-N	394.471	2.229	0	1	GEAF	
CC(C)CNC(=O)c1cncc(NS(=O)(=O)c2ccc3c(c2)OCCO3)c1	21931189	YHEQORBEYRHJLO-UHFFFAOYSA-N	391.449	2.039	0	1	GEAF	
CCC/C=C(/C[C@@H](Cc1ccc(-n2cccn2)cc1)C(=O)NCC(=O)O)C(=O)O	27748695	FDGCFNDGDZYXIH-HFLUPCSWSA-N	399.447	2.433	0	1	GEAF	
CC(=O)N1C[C@@H](Oc2cccs2)C[C@@H]1C(=O)N1CCCN(C2CCC2)CC1	49784994	UVJZGEMYQSRVOF-ZWKOTPCHSA-N	391.537	2.203	0	1	GEAF	
C/C=C(/C)C(=O)O[C@H]1C2=C(C)C(=O)O[C@]2(O)C[C@H]2CCC[C@H](C(=O)OC)[C@]21C	59129325	VOOSWNHYYIUCGL-HIIKNLIRSA-N	392.448	2.426	0	1	GEAF	
COc1cccc(OC[C@@H]2CN(CC(=O)N3CCc4ccccc43)CCO2)c1	205512211	KJWABLDVLWKPKR-FQEVSTJZSA-N	382.460	2.364	0	1	GEAF	
COC(=O)[C@H]1C[C@@]23C4=C(CC[C@@H]5CN6C[C@@H](C)[C@@H](C[C@@H](O)[C@@]52C)[C@]63O)CC[C@@H]41	238741922	VSUPHZOFQVOSCQ-CYWJRQCGSA-N	387.520	2.323	0	1	GEAF	
N=c1[nH]cc2nc(-c3ccccc3NS(=O)(=O)c3ccc(F)cc3)nc-2[nH]1	587170016	HTTBMLZYAIIYPG-UHFFFAOYSA-N	384.396	2.324	0	1	GEAF	
C[C@]1(CC(=O)NCC(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	587337387	OCFSBRZBFYANHU-AZUAARDMSA-N	387.363	2.240	0	1	GEAF	
COC(=O)[C@@H]1SCC[C@@]12N[C@H](C(=O)O)Cc1c(C(F)(F)F)cc(F)cc12	962704121	UIPHOFCDUQQVRK-HUBLWGQQSA-N	393.358	2.317	0	1	GEAF	
Cc1c(O)ccc2c1[C@@H](c1ccc(CN3CCOCC3)s1)N[C@H](C(=O)O)C2	963512527	XBTPTMIZGDHGHF-HNAYVOBHSA-N	388.489	2.283	0	1	GEAF	
CCn1c(=O)n(O)c(=O)c2cc(-c3cn(Cc4c(F)cccc4F)nn3)ccc21	1772630470	VJBVONBJYMILCX-UHFFFAOYSA-N	399.357	2.005	0	1	GEAF	
Cn1cc(NC(=O)c2cc(-c3ccnc(NCC4CC4)c3)ccn2)c(C(N)=O)n1	1857556679	DNKZKZWNVUZFEG-UHFFFAOYSA-N	391.435	2.050	0	1	GEAF	
CC(=O)N1CCC(c2ccc(C(=O)NC3=NCCN3)cc2C(F)(F)F)CC1	1857592345	UPJRPOWMFLBSKZ-UHFFFAOYSA-N	382.386	2.120	0	1	GEAF	
O[C@@H]1CC[C@H](Cc2cc(-c3ccc(F)cc3)on2)O[C@@H]1CNC1CCNCC1	2356287600	MHAOBVGBIOTXFM-SFHLNBCPSA-N	389.471	2.273	0	1	GEAF	
CC(=O)O[C@@H]1[C@@]2(C)C=C[C@@]13[C@H](O)C[C@@H]1[C@](C)(CO)[C@H](O)CC[C@@]1(C)[C@H]3CC2	2356461022	SDTBVAOPLRNVMA-BZXZXGCSSA-N	378.509	2.431	0	1	GEAF	
Cc1cc(O)cc2oc3c(c(=O)c12)[C@@](C)(Cc1cc(O)cc(=O)o1)C[C@H](O)C3	2356729086	FYYKXVHQNPFCQK-LRTDBIEQSA-N	384.384	2.273	0	1	GEAF	
O=C(N[C@@H]1CO[C@@H]2[C@H]1OC[C@H]2n1cc(-c2ccccc2)nn1)c1ccccc1	2356829635	JAPQAMUHOQNTPU-ZRNYENFQSA-N	376.416	2.082	0	1	GEAF	
COC(=O)C1=NN[C@@]2(c3ccc(C)cc3)C(=O)N(c3cccc(C)c3C)C(=O)[C@@H]12	1015129	SQVCRPCYVJYJJI-VGOFRKELSA-N	391.427	2.129	0	3	GEAF	
CC1CCN(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccc(F)cc3)C2)CC1	8662107	MFJJNJVVOWSBBZ-KRWDZBQOSA-N	397.516	2.131	0	3	GEAF	
CCCSc1nc(=O)c([C@H]2OC(=O)c3c2ccc(OC)c3OC)c(O)n1C	103940674	XRYYFLKOTCGJGU-ZDUSSCGKSA-N	392.433	2.265	0	3	GEAF	
COCCNC(=O)C(C)(C)n1cc(NC(=O)c2ccc3ccccc3n2)cn1	206020498	YKJVKAQMHNPQJE-UHFFFAOYSA-N	381.436	2.181	0	3	GEAF	
Cc1ccc(CCNC(=O)CN(c2ccc(C)cc2)S(=O)(=O)N(C)C)cc1	8604282	MCFLDIXKOCDPQQ-UHFFFAOYSA-N	389.521	2.275	0	1	GEAF	
CN(C)C(=O)[C@@H](c1ccc(-c2ccc(F)cc2)cc1)[C@H](N)C(=O)N1CC(F)C1	14947800	ACBMDPQWISSNFH-OALUTQOASA-N	387.430	2.172	0	1	GEAF	
CN1C[C@H](C(=O)NCc2cccnc2N2CCc3ccccc3C2)CCC1=O	39405650	IEAFPJAFXKPODS-LJQANCHMSA-N	378.476	2.129	0	1	GEAF	
CCc1c2c(nc3ccc(O)cc13)[C@@H]1C=C3[C@H](COC(=O)[C@]3(O)CC)C(=O)N1C2	40460457	QTQXEMLATWTPSP-VPKVUBIPSA-N	394.427	2.140	0	1	GEAF	
NC(=O)CNC[C@@H]1CCCc2cc(S(=O)(=O)c3cccc(F)c3)ccc21	49052212	ORYIDMJUFFUMMP-AWEZNQCLSA-N	376.453	2.153	0	1	GEAF	
CCOC(=O)CN1CCN(c2ncc(C)c(NCc3ccc(OC)cc3)n2)CC1	82203874	DXZYIYODOYJYGT-UHFFFAOYSA-N	399.495	2.091	0	1	GEAF	
Cc1c(N2CCN(C)CC2)c(=O)oc2cc(O)cc(OC3CCN(C)CC3)c12	96911655	MHTHGVSLECYCDW-UHFFFAOYSA-N	387.480	2.032	0	1	GEAF	
CC1=CC(=O)N(Nc2nc(-c3cccs3)nc3sc(C(N)=O)c(C)c23)C1=O	146700902	GCAJSUGVGYEWPI-UHFFFAOYSA-N	399.457	2.469	0	1	GEAF	
CC(C)n1cc(C(=O)c2cncc(NC(=O)Cn3ccnc3)c2)c2cncnc21	169707913	CKKXEWWCNICXRL-UHFFFAOYSA-N	389.419	2.473	0	1	GEAF	
O=C(NC1(CO)CCCCC1)c1cnc(N2CC(F)(F)C2)c(OCC2CC2)n1	207410513	CAKVQXIPCQHPSM-UHFFFAOYSA-N	396.438	2.146	0	1	GEAF	
CC(C)CCNC(=O)[C@H](C)N[P@](=O)(O)CNC(=O)OCc1ccccc1	299844554	FOUAOKMZJDZNMF-AWEZNQCLSA-N	385.401	2.196	0	1	GEAF	
COC(=O)c1ccnc2[nH]c(CN(C)S(=O)(=O)c3ccc(Cl)cc3)nc12	586929496	WMYYUDWJLPUGDO-UHFFFAOYSA-N	394.840	2.219	0	1	GEAF	
COC(=O)c1cc2nc([C@H](CCN(C)C)NC(=O)OC(C)(C)C)[nH]c2cn1	587193680	DIEQVFUFBKMNMO-NSHDSACASA-N	377.445	2.262	0	1	GEAF	
COc1cc2c3c(c1)O[C@H](c1cc(OC)c(OCC(N)=O)c(OC)c1)[C@@H](C2)C3=O	587432416	LRCKDKVVERUTKT-RNODOKPDSA-N	399.399	2.065	0	1	GEAF	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)O)(c2csc(N)n2)N1	587853331	PXPLVKJXZCNLGY-MDAAJZPYSA-N	386.246	2.489	0	1	GEAF	
CC(=O)N1C[C@H](C)S[C@@H]2C[C@H](S(=O)(=O)NCc3ccccc3)CC[C@@H]21	914431251	XWNJYOGTDUJRND-HNONPPJISA-N	382.551	2.380	0	1	GEAF	
CCn1c2c(c(O)nc1=O)[C@H](c1ccc(C(F)(F)F)cc1)C1=C(COC1=O)N2	1772631875	GSQMKFKPHLJZSN-LLVKDONJSA-N	393.321	2.356	0	1	GEAF	
O=C1C[C@](O)(C(F)(F)F)c2c(n[nH]c2C2CCN(c3ccc(F)cn3)CC2)N1	1857615002	GVQQKNXHVNOAMN-MRXNPFEDSA-N	399.348	2.420	0	1	GEAF	
C[C@]1(O)CCN(S(C)(=O)=O)[C@H](c2cccs2)[C@H]1NC(=O)c1ccccc1	2356288593	HSQCFHHNGMKSEM-NUJGCVRESA-N	394.518	2.004	0	1	GEAF	
CC(=O)N[C@H]1CCN(C(=O)c2onc(-c3ccc(Cl)cc3)c2[C@H](C)O)C1	2356560374	XQZSKLAETUWMCH-HZMBPMFUSA-N	377.828	2.399	0	1	GEAF	
CCC[C@H]1O[C@@H](CC(=O)O)C=C2[C@@]3(O)CC(=O)C[C@]21C(=O)c1c(O)cccc13	2356712768	NUSPYTZPFANSTB-SFVWXPRJSA-N	386.400	2.094	0	1	GEAF	
C1=CC(c2noc([C@@H]3CCCN3Cc3ccccn3)n2)=CN[C]1N1CCOCC1	2356837422	NQIODRNCPHRVQJ-SFHVURJKSA-N	393.471	2.124	0	1	GEAF	
O=C(Cn1nnnc1CN1CCCCCC1)N[C@@H](c1ccco1)C(F)(F)F	11838307	QUJDDUMZDJJQJV-HNNXBMFYSA-N	386.378	2.062	0	1	GEAF	
O=C(N[C@@H]1C(=O)N(c2ccccc2F)C[C@@H]1C(=O)O)c1cnc2ccccc2c1	28253171	AWUOWMONZJSVLQ-KSSFIOAISA-N	393.374	2.220	0	1	GEAF	
COC(=O)C1=C(C(=O)OC)[C@@H]2O[C@@H]1C(c1ccc(O)cc1)=C2c1ccc(O)cc1	101075995	CRLQCBACIMUGDZ-WOJBJXKFSA-N	394.379	2.432	0	1	GEAF	
O=C(O)CNC(=O)c1c(=O)oc(O)c2cccc(-c3cc(F)c(F)c(F)c3)c12	114872894	DSAUJJJRDDRPQE-UHFFFAOYSA-N	393.273	2.397	0	1	GEAF	
COc1ccc(CN2CCN(c3nn4nnnc4c4ccccc34)CC2)cc1	169312431	CPWBDKKRJSIMPE-UHFFFAOYSA-N	375.436	2.003	0	1	GEAF	
CC1(C)CCC[C@@]2(C)[C@H]1[C@H](OC(=O)/C=C\C=C\C(=O)O)C=C1COC(=O)[C@@]12O	238784017	WWELYLJKFRXUQW-BFIKJBTQSA-N	390.432	2.156	0	1	GEAF	
O=S(=O)(NCCc1nc2cc3cn[nH]c3cc2[nH]1)c1ccc(Cl)nc1	586942575	NZCVSZQMFXCQEV-UHFFFAOYSA-N	376.829	2.009	0	1	GEAF	
CS(=O)(=O)N1CCc2c(ccc(-c3nc4cc(F)c(F)cc4[nH]3)c2N)C1	586955708	SVYPMOGDTVWGKW-UHFFFAOYSA-N	378.404	2.408	0	1	GEAF	
CC(=O)N1C[C@H](C)S[C@@H]2C[C@@H](S(=O)(=O)NCc3ccccc3)CC[C@@H]21	914431254	XWNJYOGTDUJRND-XDKFSHSGSA-N	382.551	2.380	0	1	GEAF	
CCOC(=O)[C@@H]1C(=O)N(C)CC[C@@]12c1cccc(Br)c1CCN2C	963290488	XBSVTGKMSUTIDY-MAUKXSAKSA-N	395.297	2.174	0	1	GEAF	
CC1=C[C@H](CNS(C)(=O)=O)[C@H](C(C)C)C[C@H]1CC(=O)NCc1cccnc1	2356309425	GGUYHWPHIPGSNH-OTWHNJEPSA-N	393.553	2.492	0	1	GEAF	
S=C(NCc1ccco1)NC[C@@H]1C[C@H]2CCN1C[C@H]2CN1CCSCC1	2356764940	AIYATVHGDYKGOK-ZACQAIPSSA-N	394.610	2.003	0	1	GEAF	
O=C(NC[C@@H]1CCCO1)c1ccc(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)cc1	13153342	BHCOCGLYBMEHSY-SRIISGBFSA-N	384.432	2.057	0	1	GEAF	
CCOC[C@@]1(CN2CCOCC2)COc2ccc3c(C)cc(=O)oc3c2C1=O	49033349	NNAGOCOSLUKCIS-NRFANRHFSA-N	387.432	2.032	0	1	GEAF	
C[C@@H]1O[C@@H](Oc2cc3c4c(c2O)C(C)(C)CC[C@H]4CCC3)[C@@H](O)[C@H](O)[C@@H]1O	64549578	JCKARYUPZKFSGR-XFAQCFAOSA-N	378.465	2.090	0	1	GEAF	
CO[C@H]1CCC[C@@H]([C@H](C)Nc2nc(N3CCC[C@H](C(N)=O)C3)ncc2C)C1	82204034	OOFOHMVGJVOGTA-YVSFHVDLSA-N	375.517	2.492	0	1	GEAF	
CNC[C@@H]1Oc2ncc(-c3ccc(OC)cc3)cc2C(=O)N([C@H](C)CO)C[C@H]1C	95732388	KUOLKNDJLDMVPT-SXGZJXTBSA-N	399.491	2.197	0	1	GEAF	
O=C(c1ccncc1)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2C(=O)CC1CC1	95794024	JHGBJZJGBUIJRW-CTNGQTDRSA-N	391.471	2.063	0	1	GEAF	
O=S(=O)(NC[C@H]1[C@H](c2ccccc2)[C@H](CO)N1CC1CC1)c1ccccc1	95895679	DZQWNXDWAYARHT-ACRUOGEOSA-N	386.517	2.204	0	1	GEAF	
OCC1CCN(c2nccnc2C2CN(c3ncc4ccccc4n3)C2)CC1	140131035	DYVUNNZQZUAQLS-UHFFFAOYSA-N	376.464	2.232	0	1	GEAF	
CN/C(=C\[N+](=O)[O-])NCCSCc1ccc(CN[C@H]2C3C[C@@H]4C2[C@H]4C3)o1	169306404	NIEBFIZWKXFMDD-HTNSERIWSA-N	378.498	2.141	0	1	GEAF	in-man
COc1cc2c(cc1OC)[C@](O)(c1ccc3c(c1)OCO3)[C@@H](C)[C@](C)(O)C2=O	238779777	HFVJPDBHLXAZNH-ZTQXTMOCSA-N	386.400	2.252	0	1	GEAF	
CN(C)S(=O)(=O)c1ccc(OCc2nc3cccc(C(=O)O)c3[nH]2)cc1	586931893	OXMJCLUUJIBPNC-UHFFFAOYSA-N	375.406	2.090	0	1	GEAF	
COC(=O)[C@H]1CCc2nc(-c3c(N[C@H]4CC[C@@H](N)CC4)ccnc3O)[nH]c2C1	653729606	RVCXRGXRWJRHPL-RWMBFGLXSA-N	385.468	2.137	0	1	GEAF	
CCOC(=O)c1c[nH]nc1[C@@H]1N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21	962969325	QGGVBUMKIKFWIT-IINYFYTJSA-N	385.754	2.206	0	1	GEAF	
CC1([C@@H]2CC(=O)N(CCOc3ccc(F)c(F)c3)C2)CCS(=O)(=O)CC1	1772576263	BTLIVXFEOFQGEG-CYBMUJFWSA-N	387.448	2.407	0	1	GEAF	
OC[C@@H](O)CNc1nc(NC2CCC2)nc(O)c1-c1nc2ccccc2s1	1772655929	XEIJBGWLNTYKGG-NSHDSACASA-N	387.465	2.188	0	1	GEAF	
Cc1ccc2c(c1)[C@@H](Cc1ccc(C(=N)N)c(OCc3cccnc3)c1)OB2O	1857589533	DVGJSQUHDMDLCX-OAQYLSRUSA-N	387.248	2.255	0	1	GEAF	
CC(=O)[C@@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@H](O)[C@H](O)C4(C)C)[C@@]3(C)C(=O)C[C@H]12	2356353052	HBVLDGXDFFSABR-WWQIQEJFSA-N	390.520	2.272	0	1	GEAF	
COc1ccc(C=CC(=O)NCCCC[C@@H](N)C(=O)O)cc1Br	2356816410	DAWHVQABSAAHDG-CYBMUJFWSA-N	385.258	2.169	0	1	GEAF	
C[C@@]12C=C[C@@]3(CN(Cc4ccccc4)C(=O)[C@@H]3[C@H]1C(=O)NCc1ccco1)O2	253485470	OWGQHWVHMOBBLL-HXHBTQRASA-N	378.428	2.268	0	3	GEAF	
Cc1c(C)c(C(=O)NCCN2CCN(c3ccccn3)CC2)c(C)c(C)c1N	1847076	XCGBHKFYNWGXQJ-UHFFFAOYSA-N	381.524	2.449	0	1	GEAF	
O=CN(O)C[C@@H](CC1CCCC1)C(=O)N1CCCCN1C(=O)c1ccncc1	72175168	WKQCBNJIZPABFL-GOSISDBHSA-N	388.468	2.105	0	1	GEAF	
O=C1C[C@H](c2ccccc2F)C(=O)N1CN1CCN(Cc2ccccc2)CC1	84733013	SPPGSTWYERROSC-LJQANCHMSA-N	381.451	2.444	0	1	GEAF	
COc1ccc(CN(CC(N)=O)S(=O)(=O)c2ccc(Cl)cc2)cc1F	95556075	XLXDFAAMCXFMHN-UHFFFAOYSA-N	386.832	2.164	0	1	GEAF	
COCCOC[C@@H](CC1(C(=O)N[C@H]2CC[C@@H](C(=O)O)CC2)CCCC1)C(=O)O	100900183	ACZWIDANLCXHBM-BZUAXINKSA-N	399.484	2.060	0	1	GEAF	in-vitro
CC(C)(C)OC(=O)N[C@]1(c2nc3c(N)ncnc3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C	587238360	CKAZJWDWDMQBMP-FKWBGFQESA-N	388.472	2.490	0	1	GEAF	
COC(=O)c1cc([C@@]2(C(O)O)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1O	587527597	XEQXIUOJJHVKPV-JOCHJYFZSA-N	398.411	2.229	0	1	GEAF	
Cc1nn(C)c(C)c1-c1[nH]c2ccc(S(C)(=O)=O)cc2c1N1CCOCC1	587650618	PDEAZQUDBCZONP-UHFFFAOYSA-N	388.493	2.425	0	1	GEAF	
CCNC(=O)c1c(C)sc2nc(CN(CC)c3ccc(F)cn3)cc(=O)n12	653854043	VNYYMZMWJYJEMT-UHFFFAOYSA-N	389.456	2.375	0	1	GEAF	
C=CC(=O)N1CCC[C@@H](n2nc(-c3c[nH]c4nccc-4c3)c3c(N)ncnc32)C1	1772653710	QDLVDDNIYQVRGN-CQSZACIVSA-N	388.435	2.253	0	1	GEAF	
OC[C@H]1[C@H](Cc2ccnc(-c3cccnc3)n2)[C@H](NC2CCCCC2)C[C@H]1O	2356288618	IAFYNFFDTUUFOL-UWHLTILDSA-N	382.508	2.361	0	1	GEAF	
COC(=O)[C@@H]1[C@H](O)CC[C@@H]2CN3CC[C@@H]4c5c(cccc5OC)N[C@@H]4[C@H]3C[C@H]21	2356780422	WHOUHQRGRVIKFB-LVXLDKRASA-N	386.492	2.227	0	1	GEAF	
COc1cc2cc(CN(CCO)C(=O)c3cccs3)c(=O)[nH]c2cc1OC	8677416	JFCWKSVIBQLEQN-UHFFFAOYSA-N	388.445	2.242	0	3	GEAF	
CC(=O)N(CCCN1CCCC1=O)[C@H]1CC(C)(C)Oc2ccc(C(N)=O)cc21	758575	GWCJCQXWFCNWAV-KRWDZBQOSA-N	387.480	2.249	0	1	GEAF	
O=C(O)CN1C(=O)[C@]2(CC(=O)N(Cc3ccccc3)C2)c2cc(Cl)ccc21	14976796	BDWQUHFLKUXBHZ-FQEVSTJZSA-N	384.819	2.442	0	1	GEAF	
N[C@@H]1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(O)cc2)C1	28395867	UYLPZMOVXLHQAW-LLVKDONJSA-N	383.379	2.071	0	1	GEAF	
Cc1cc2c(cc1Cl)S[C@@H](c1c(O)[nH]c(=S)[nH]c1=O)NS2(=O)=O	58501984	KPFFGTGRXDUZJT-NSHDSACASA-N	391.883	2.183	0	1	GEAF	
O=C(CC1CC1)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2CC1CCOCC1	95794319	KVJINFOJQOHVHI-IRLDBZIGSA-N	384.520	2.254	0	1	GEAF	
O=C(N[C@H]1CC[C@H](CCn2cc(C3CCCC3)nn2)O[C@@H]1CO)c1cccnc1	95794667	JAHQNXWPFXREPC-WSTZPKSXSA-N	399.495	2.059	0	1	GEAF	
O=C(C[C@@H]1CC[C@H](NC(=O)C2CCC2)[C@H](CO)O1)NCc1ccccc1Cl	95905109	DLKBRBFAHGAPTH-SZMVWBNQSA-N	394.899	2.171	0	1	GEAF	
O=C(N[C@H]1[C@H]2CC3C[C@@H]1C[C@](O)(C3)C2)c1cnc(N[C@@H]2CCOC2)nc1C1CC1	101584643	DFVVWZTUNUJGGE-VFHLQZCWSA-N	398.507	2.224	0	1	GEAF	
CCOC(=O)[C@]12CC[C@@](c3c(C)cccc3C)(O1)C(C(=O)OC)=C2C(=O)OC	102966507	GLFYMSNFJDGJGI-LEWJYISDSA-N	388.416	2.267	0	1	GEAF	
CCOC(=O)c1cc(Br)c2[nH]c(-c3cnc(N)nc3O)nc2c1	587253132	BMGOGQJJRPLCBY-UHFFFAOYSA-N	378.186	2.247	0	1	GEAF	
Cc1nn(C)c(C)c1[C@@]1(C(N)=O)N[C@H](C)Cc2ccc(F)c(Br)c21	587754124	CTGADOIPRPBKAZ-CQLKUDPESA-N	395.276	2.202	0	1	GEAF	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ccc(S(N)(=O)=O)cn1	587869639	LVGPGHMSRPNXTP-UHFFFAOYSA-N	399.354	2.004	0	1	GEAF	
Cc1nn(C)cc1CNC(=O)c1c(O)c2cc(F)cc3c2n(c1=O)[C@H](C)CC3	1857550305	YMGDSGIEODNXCS-SNVBAGLBSA-N	384.411	2.325	0	1	GEAF	
COCC(=O)N[C@@H]1[C@@H](c2cccs2)N(C(=O)CC(C)(C)C)CC[C@@]1(C)O	2356288332	ATWUVRKQIVDTGS-ZHALLVOQSA-N	382.526	2.340	0	1	GEAF	
CCCNC(=O)c1cc([C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)on1	61904256	MVMCXNCOFUXIKX-GFCCVEGCSA-N	383.495	2.444	0	3	GEAF	
CC(C)NC[C@H]1Cn2c(cc3ccc(C(=O)Nc4nccs4)cc32)C(=O)N1	29125911	CEDLSFPRHQTGPW-AWEZNQCLSA-N	383.477	2.460	0	1	GEAF	
COCCOc1cccc(S(=O)(=O)c2ccc3c(c2)O[C@H]2CNCC[C@@H]32)c1	73198222	CQXYWESYPIIXHT-ICSRJNTNSA-N	389.473	2.383	0	1	GEAF	
CS(=O)(=O)c1ccc(-c2cnc(CC(N)=O)nc2-c2ccc(F)cc2)cc1	42920117	VURZHOAEBGBNSL-UHFFFAOYSA-N	385.420	2.381	0	1	GEAF	
C/C=C(\C)C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@@H]1C(=O)NC[C@@H](C)O	82218850	UDWWWQSUAAMSMQ-PSJNYPITSA-N	388.508	2.069	0	1	GEAF	
CCCc1nccn1[C@H](CC(=O)OCC)[C@H]1O[C@H]2OC(C)(C)O[C@H]2[C@@H]1OC	96903065	YMWINJDXMNADPA-FUEZWAHWSA-N	382.457	2.221	0	1	GEAF	
CCC(=O)N1[C@@H](CO)[C@@H]2c3ccccc3N(C(=O)c3cccc(OC)c3)C[C@@H]21	95893727	ZJRRQMKFLFNQOL-IRFCIJBXSA-N	380.444	2.421	0	1	GEAF	
CO[C@H]1CN(C)C[C@@H]1NC(=O)Nc1cc2[nH]nc(-c3ccc(F)cc3)c2cn1	261190819	ZCKILXBOSBOAFL-HOTGVXAUSA-N	384.415	2.215	0	1	GEAF	
CN(C)C[C@@H]1Cc2ccccc2[C@@]2(C)C[C@]3(C(=O)Nc4cc(N)ccc43)C(=O)N12	473119576	BBEMROZPMRTNPN-FNVCAUGXSA-N	390.487	2.093	0	1	GEAF	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CN(C(=O)C(F)(F)F)C2	587550621	VMNXBGNEALQNPS-ZDUSSCGKSA-N	379.290	2.497	0	1	GEAF	
COc1cc2c(cc1OC)[C@@](Cn1cncn1)(C(C)C)NCC21CCOCC1	963182720	ABFQPHIIALCTGO-OAQYLSRUSA-N	386.496	2.498	0	1	GEAF	
NC(=O)N1CCCc2cc(-c3cncc(C4CCS(=O)(=O)CC4)c3)cnc21	1772636638	MDWLLFONFNNNEG-UHFFFAOYSA-N	386.477	2.267	0	1	GEAF	
CN(c1ncnc2[nH]ccc12)[C@H]1CN(S(=O)(=O)c2ccccc2)CC12CC2	1857656300	MWCVRSQNXAOLSO-INIZCTEOSA-N	383.477	2.247	0	1	GEAF	
CN(C)S(=O)(=O)c1ccc(Nc2ccc(C(=O)c3ccco3)c(N)n2)cc1	14945654	KGUKVNDDORCHCY-UHFFFAOYSA-N	386.433	2.482	0	1	GEAF	
CC(=O)N1CC[C@H]2c3c(nc(-c4ccc5c(c4)OCCO5)[nH]c3=O)S[C@@H]2C1	28524426	KMFHEPNXBGOZDT-IUODEOHRSA-N	385.445	2.018	0	1	GEAF	
CNC(=O)c1csc(NC(=O)c2ccc3[nH]c4c(c3c2)[C@H](C)CNC4=O)n1	28902304	NERUXDDORJWDQC-MRVPVSSYSA-N	383.433	2.083	0	1	GEAF	
CC(=O)NC[C@H]1[C@H](c2ccc(-c3cccnc3)cc2)[C@@H](CO)N1C(=O)C1CCC1	95894911	ABMCTRXCSJHXAW-BDTNDASRSA-N	393.487	2.340	0	1	GEAF	
Cn1c(=O)c(C(=O)NCC(F)F)c(O)c2ncc(Cc3ccc(F)cc3)cc21	103097531	QFLCQXLLYBPIOP-UHFFFAOYSA-N	391.349	2.364	0	1	GEAF	
CC(C)[C@@H](C(=O)OCC(=O)c1ccccc1)N1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O	169363187	SUAQGZZDRBYGMI-BVRUVYRISA-N	381.428	2.244	0	1	GEAF	
CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4C[C@]3(C=C4CO)[C@@H](O)C[C@H]2[C@@]1(C)CO	238735389	SDJVWZZBAQETFJ-UJKFHMGYSA-N	378.509	2.433	0	1	GEAF	
CC[C@H](c1nc2c(N)ncnc2[nH]1)n1cc(I)c(C)n1	587185296	RKULXDNDNOLPKK-MRVPVSSYSA-N	383.197	2.044	0	1	GEAF	
Nc1ccc(I)cc1-c1ccc2c(O)nc(O)nc2n1	587369206	FHQFDYTZQHWJBS-UHFFFAOYSA-N	380.145	2.290	0	1	GEAF	
O=C(NC[C@H]1CCc2nc3nc(O)nc(O)c3cc2C1)OCc1ccccc1	587555254	PCJTZQKASSQJRH-ZDUSSCGKSA-N	380.404	2.467	0	1	GEAF	
COC(=O)c1ccccc1CN1CCN(C(=O)COc2ccc(OC)cc2)CC1	653704613	NXSGDCYUOUJSTO-UHFFFAOYSA-N	398.459	2.205	0	1	GEAF	
NS(=O)(=O)c1ccc(-n2nc(-c3ccc4c(c3)CCCC4)ccc2=O)cc1	653706035	RUQTUXXDADUUIS-UHFFFAOYSA-N	381.457	2.426	0	1	GEAF	
CN(c1ncnc2[nH]ccc12)[C@H]1CC[C@H](CS(=O)(=O)NC2CCC2)CC1	1772606236	VIUOTXYQACVLBN-CTYIDZIISA-N	377.514	2.425	0	1	GEAF	
NS(=O)(=O)c1ccc(-n2nnc(C(=O)c3ccccc3)c2C(F)(F)F)cc1	1857750075	AUTAZJSVHVHZSN-UHFFFAOYSA-N	396.350	2.165	0	1	GEAF	
Cc1cc(C(=O)N[C@@H]2[C@H](c3ccc(C(F)(F)F)nc3)C[C@H](O)[C@H]2O)c(C)o1	2356286602	HOCJWKXOQLMRNP-WMHQRMGPSA-N	384.354	2.318	0	1	GEAF	
C[C@@]1(CN)CCN(c2c(F)c(N)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C1	3775517	OPTWMJOQCCZCEL-IBGZPJMESA-N	392.406	2.070	0	1	GEAF	
CC(C)=CCC[C@]1(C)Oc2ccc(C(=O)N[C@H](C(=O)O)[C@@H](C)O)cc2C[C@H]1O	4662306	JEQRSDJVWOFRBQ-ZMRAYBQVSA-N	391.464	2.051	0	1	GEAF	biogenic
CS(=O)(=O)CCN1C(=O)c2ccccc2[C@@H](CC(=O)c2ccccc2)C1=O	29348201	DCQSNQVLDCGJBS-QGZVFWFLSA-N	385.441	2.070	0	1	GEAF	
CS(=O)(=O)Nc1cc([C@H](O)CNC2(Cc3ccccc3)CC2)ccc1O	33824058	UMDQAHHCAXBNNT-GOSISDBHSA-N	376.478	2.162	0	1	GEAF	
CN(C)S(=O)(=O)c1ccc2nc(/C=C\S(=O)(=O)c3ccccc3)[nH]c2c1	586925440	ZQSQRPAXUMDJGT-KHPPLWFESA-N	391.474	2.258	0	1	GEAF	
COc1ccc(S(=O)(=O)N[C@@H](c2nc3cc(F)c(F)cc3[nH]2)[C@@H](C)O)cc1	586935161	CGYAUUASCAWBLF-JDNHERCYSA-N	397.403	2.250	0	1	GEAF	
CCOC(=O)[C@@H]1CCNC(=O)[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12	587799813	YVMQCPFGBIQERJ-NVTQBHAOSA-N	399.260	2.017	0	1	GEAF	
COC(=O)C(=O)C[C@@]1(c2cccnc2)N[C@H](C)Cc2c(OC)ccc(OC)c21	963642350	YINQCVYCOJJMCB-ASSNKEHSSA-N	384.432	2.009	0	1	GEAF	
CCCCC[C@H](O)c1c(/C=C/[C@@H](O)[C@@H](O)CCCC(=O)OC)nc(C)n1C	1857542357	PLBGFBROZZUTKG-WZVLTGPMSA-N	382.501	2.421	0	1	GEAF	
CC=C[C@@H]1O[C@]2(O)C(=O)NC(=Cc3ccccc3)C(=O)N2[C@@H]2[C@@H](C)CCC[C@H]12	2356700675	DQBLPIKDHLUJNM-MIMWQVSNSA-N	382.460	2.412	0	1	GEAF	
C[C@H]1CC(=O)N(CC(=O)Nc2ccc(F)cc2)c2ccccc2S1(=O)=O	6806574	MYHCYDOJNSQUKG-LBPRGKRZSA-N	376.409	2.363	0	3	GEAF	
CCN1CCC[C@H]1CN(Cc1ccc(CO)o1)CC1CCN(CCOC)CC1	20995156	NYKLUVCTADBIJB-FQEVSTJZSA-N	393.572	2.417	0	1	GEAF	
COc1ccc(C(=O)[C@H](CC(=O)N2CCC[C@@H]2C(=O)O)SC(C)=O)cc1F	27316736	KSBWXWURYXGMSM-HIFRSBDPSA-N	397.424	2.131	0	1	GEAF	
COc1ccc(CC[C@@H](C)NC[C@@H](O)c2ccc(O)c(C(N)=O)c2)cc1OC	27738363	POJFCGHAPYYJFT-FZKQIMNGSA-N	388.464	2.153	0	1	GEAF	
Oc1cc2oc3c(O)nc(CN4CC[C@H](O)C4)nc3c2cc1Br	84669516	KQQSWEGICVCXSO-ZETCQYMHSA-N	380.198	2.116	0	1	GEAF	
O=C(C[C@H]1CC[C@@H](NC(=O)C2CCC2)[C@@H](CO)O1)NCc1ccccc1Cl	95905110	DLKBRBFAHGAPTH-KBAYOESNSA-N	394.899	2.171	0	1	GEAF	
CC[C@H](C(=O)NC1[C@H]2CC3C[C@H]1CC(C(N)=O)(C3)C2)N1CCCC(F)(F)C1	101074030	JPMYVYXSNDIXGT-MEJJZLIDSA-N	383.483	2.293	0	1	GEAF	
COc1ccc(C(=O)[C@@H](C)OC(=O)CCN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1	102129358	MESGMYNLBLQJRC-COXVUDFISA-N	385.416	2.151	0	1	GEAF	
Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4cccc5c4OCCCO5)C[C@@H]3C2)n1	116826302	AEZSHLMXEAFMHO-IAGOWNOFSA-N	394.475	2.463	0	1	GEAF	
NC(=O)c1ccc(N2CC[C@@H](NC(=O)c3ccc(F)c(F)c3)C2)c2cncnc12	147596234	DLUGKDOSIIJDOJ-GFCCVEGCSA-N	397.385	2.016	0	1	GEAF	
COC(=O)[C@]1(C)N[C@@H](c2ccc(O)cc2)[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21	169296731	BXNIWTHCKAVZLL-QSNWEANLSA-N	394.427	2.082	0	1	GEAF	
Cc1cncc(-c2cc3c(cn2)cnn3-c2cccc(N3CCN[C@H](C)C3)n2)n1	211050335	BVSPZNRNBYKDLE-OAHLLOKOSA-N	386.463	2.379	0	1	GEAF	
CC(=O)NCCCCNC(=O)c1[nH]cc(C(=O)O[C@@H]2C[C@H]3CC[C@H]2C3)c1C	253654827	GKVZLYPVWDZDLN-YQQAZPJKSA-N	375.469	2.315	0	1	GEAF	
Cc1c(O)ccc2c1[C@@](Cc1ccc3ccccc3n1)(C(=O)O)N[C@H](C(=O)O)C2	963547936	CDQBLSOUSYNCSJ-JTSKRJEESA-N	392.411	2.370	0	1	GEAF	
NS(=O)(=O)c1ccc(-n2cc(C(=O)c3ccc4ccccc4c3)nn2)cc1	1857633720	KKGOTVIAKMVULU-UHFFFAOYSA-N	378.413	2.299	0	1	GEAF	
COc1ccc(N2C(=O)NC(=O)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1O	1857640442	MGWQVEUENKGBGC-INIZCTEOSA-N	388.376	2.224	0	1	GEAF	
COc1c2c(cc3c1[C@H]1OC(=O)[C@H]([C@H]1CO)[C@@H]3c1ccc3c(c1)OCO3)OCO2	2356474435	ROTFEJQWSQLKSJ-JJSROIJQSA-N	398.367	2.121	0	1	GEAF	
Cc1nnsc1C(=O)N1CCC[C@H](N2CCN(c3ccc(F)cc3)CC2)C1	61970949	DVINLIHXGUSZAB-KRWDZBQOSA-N	389.500	2.412	0	3	GEAF	
COc1ccc([C@@H](O)[C@H](CO)Oc2ccc(CCCO)cc2OC)cc1OC	14438060	HXOSLWKKWGVPFQ-LEWJYISDSA-N	392.448	2.111	0	1	GEAF	biogenic
COC(=O)C[C@]12CCCN3CC[C@]4(c5cccc(OC)c5N(C=O)[C@@H]4CC1)[C@@H]32	14952880	ZKGZWBWSRSLNGE-KDXIVRHGSA-N	384.476	2.489	0	1	GEAF	biogenic
O=C(N[C@@H]1CCS(=O)(=O)C1)c1cc(COc2ccc3c(c2)CCCC3)on1	23153276	UBDOSBJJXQKDRL-OAHLLOKOSA-N	390.461	2.049	0	1	GEAF	
CCc1c(C(=O)C(=O)NC)c2c(OCC(=O)O)cccn2c1Cc1ccccc1	27191855	ZBBLHSHKCPKCTH-UHFFFAOYSA-N	394.427	2.485	0	1	GEAF	
C[C@@H]1NCCn2cc(-c3c(F)cc4c5c3OC[C@H](C)N5C[C@@H](C(=O)O)C4=O)cc21	45300418	UVOXBGOBQIBHGB-COPLHBTASA-N	399.422	2.443	0	1	GEAF	
C[C@@H]1CSc2c(C(=O)O)c(=O)c3cc(F)c(N4CC[C@H](N)C4)c(F)c3n21	63539371	BJABYARMBVPDHZ-SFYZADRCSA-N	381.404	2.182	0	1	GEAF	
NCC(=O)Oc1ccc(Oc2ccc(S(=O)(=O)C[C@@H]3CS3)cc2)cc1	72123484	LQNHEABUVSMNCK-HNNXBMFYSA-N	379.459	2.232	0	1	GEAF	
CC(C)[C@@H]1Cn2c(c(NCc3cccc(C(=O)O)c3)c(=O)n(C(C)C)c2=O)N1	82206525	WPJYDQLCTHSUBL-HNNXBMFYSA-N	386.452	2.351	0	1	GEAF	
CCNc1nc2c(c(C(N)=O)n1)CN(C(=O)CCc1ccc(CC)cc1)CC2	95590804	IJUBXZRRJZFHSD-UHFFFAOYSA-N	381.480	2.087	0	1	GEAF	
CCCNC(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2CC2CCCCC2)O1	95886488	LQDIADHJFKFRSI-NMLBUPMWSA-N	382.545	2.092	0	1	GEAF	
FC(F)(F)Cn1cc(-c2cnc3nnn(Cc4ccc5nccn5c4)c3n2)cn1	149840760	FLAOLXIVHDPGJX-UHFFFAOYSA-N	399.340	2.343	0	1	GEAF	
OC[C@H]1[C@H](O)[C@@H](O)[C@@H](O)c2nc(CCCc3ccc(-c4ccccc4)cc3)cn21	169697550	JYUBGYMPVKAJEH-FNAHDJPLSA-N	394.471	2.028	0	1	GEAF	
Cc1nc(CNc2cc(OC[C@H]3C[C@@H]3c3ccn(C)n3)nn(C)c2=O)cs1	218489980	CDUJCFQYSDHEGG-OCCSQVGLSA-N	386.481	2.073	0	1	GEAF	
NC(=O)c1ccc(N2CCC(OC(=O)N3CCN(C4CCC4)CC3)CC2)cc1	223498232	YFYWEUOQGPFWPP-UHFFFAOYSA-N	386.496	2.061	0	1	GEAF	
Cc1cc(Br)c2[nH]c([C@@H](C)NS(=O)(=O)c3cnn(C)c3)nc2c1	586940253	YEGOSAJZYVQBFG-SECBINFHSA-N	398.286	2.407	0	1	GEAF	
Cc1ccc(OCc2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)cc1	587565672	PJNKZOUHZMZKJQ-UHFFFAOYSA-N	387.461	2.471	0	1	GEAF	
Cn1cc(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)cc(-c2ccccc2)c1=O	1911584289	CQEHGOVVRNWNMC-IBGZPJMESA-N	392.411	2.184	0	1	GEAF	
O=C(N[C@@H]1CO[C@@H]2[C@@H]1OC[C@H]2n1cc(-c2ccccc2)nn1)c1ccccc1	2356829634	JAPQAMUHOQNTPU-WTGUMLROSA-N	376.416	2.082	0	1	GEAF	
COC(=O)C1=C[C@H](O)C[C@@H]2[C@]1(C)C=C[C@]1(O)C(=O)O[C@@H](c3ccoc3)C[C@@]21C	2356868992	XGVUXZKWEOGMNA-FOOLCAOZSA-N	388.416	2.061	0	1	GEAF	
O=C(NCCN1CCOCC1)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccccc1	4049067	LAEHUYWYUDZXJL-CTNGQTDRSA-N	379.460	2.227	0	1	GEAF	
Cc1c(CN2CC[C@@H](N3CCCCCC3)[C@H](O)C2)c(=O)n(-c2ccccc2)n1C	12589988	RDPKXCFNRCQHLW-FGZHOGPDSA-N	398.551	2.296	0	1	GEAF	
COc1ccccc1NC(=O)[C@H]1[C@@H]2C(=O)N(Cc3cccnc3)C[C@]23C=C[C@H]1O3	13131502	OFLPRFFLCKYSPO-JPAWQOSXSA-N	391.427	2.011	0	1	GEAF	
CCc1c(C(=O)C(N)=O)c2c(NCC(=O)O)cccc2n1Cc1ccccc1	13446134	AZYQTHSUTIZXEB-UHFFFAOYSA-N	379.416	2.417	0	1	GEAF	
NS(=O)(=O)c1cccc(Nc2nccc(Nc3cccc4[nH]ncc34)n2)c1	28950593	KVSWEQSTPCJTSJ-UHFFFAOYSA-N	381.421	2.488	0	1	GEAF	
C[C@H](Cn1cc(Cl)cn1)n1cnc2cc3c(cc2c1=O)O[C@H]1CCCN1C3=O	72127942	GAKVZVWHPFLZKE-DIFFPNOSSA-N	399.838	2.462	0	1	GEAF	
Cc1ccc(-c2nc(C(=O)N3CCC[C@@H]3C(=O)N3CCCNCC3)co2)cc1	82073069	TYBOIWWDGHSHBL-GOSISDBHSA-N	382.464	2.077	0	1	GEAF	
CCOC(=O)CN1CCN(c2ncc(C)c(NCc3cccc(F)c3)n2)CC1	82203608	BXVYXSXRMLCAFQ-UHFFFAOYSA-N	387.459	2.221	0	1	GEAF	
CCCn1c(=O)c(NCc2ccc(NC(C)=O)cc2)c2n(c1=O)C[C@@H](CC)N2	82227987	YQHLELHLCNLMIN-OAHLLOKOSA-N	385.468	2.195	0	1	GEAF	
O=c1c(Br)c(CO)n(C2CC2)c2cc(N3CCNCC3)c(F)cc12	95596258	SJBLZYCKRHZKID-UHFFFAOYSA-N	396.260	2.140	0	1	GEAF	
N=C(N)c1cccc(COc2ccc(C(=N)N)cc2I)c1	96910525	YUGIIJNOTPRMLM-UHFFFAOYSA-N	394.216	2.438	0	1	GEAF	
COc1cc(NC(C)=O)c(Cl)cc1C(=O)NCC1[C@H]2CC3C[C@H]1CN3C2	100820067	SEKBYKQAGUKZBE-YKQCJFHZSA-N	377.872	2.377	0	1	GEAF	
Cc1ccc(CN2C[C@@H](C)[C@H](c3nc(=O)c4cnc(C5CCOCC5)n4[nH]3)C2)o1	205448419	XICIHBUBEUWHBA-CXAGYDPISA-N	397.479	2.449	0	1	GEAF	
CS(=O)(=O)c1ccc(C(=O)CCc2nc3c(S)nc(S)nc3[nH]2)cc1	586926385	OYXIGBIUVKEXIA-UHFFFAOYSA-N	394.503	2.149	0	1	GEAF	
CCN(CC)S(=O)(=O)c1ccc2nc(-c3nnn(C)c3C(F)F)[nH]c2c1	587129520	XGFYIZBJDIUVGA-UHFFFAOYSA-N	384.412	2.327	0	1	GEAF	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C1)O2	587394698	ZDBTWYKTMLIBHY-DJJJIMSYSA-N	376.409	2.375	0	1	GEAF	
O=C(NCCS(=O)(=O)c1ccc(C(F)(F)F)cn1)c1ccc(F)cc1	653798489	ZHRBNLIXZQECOC-UHFFFAOYSA-N	376.331	2.443	0	1	GEAF	
COc1ccc(C(=O)Nc2cc3cnc(NCCN(C)C)cc3n(C)c2=O)cc1	653878486	MHHUFELRIDAPQH-UHFFFAOYSA-N	395.463	2.168	0	1	GEAF	
C=CC(=O)N1CC([C@H]2CCNc3c(C(N)=O)c(-c4ccc(Cl)cc4)nn32)C1	1772570465	YFZVWHYXWAUAJG-CQSZACIVSA-N	385.855	2.304	0	1	GEAF	
Cn1cccc1C(=O)N[C@H]1CCN2C(=O)c3ccc(Cl)cc3NC(=O)[C@H]2C1	2356868978	XGSZFPNRZMJMRN-BLLLJJGKSA-N	386.839	2.034	0	1	GEAF	
CN1CCN(Cc2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)CC1	27310800	DLAYBZRXRHESTI-UHFFFAOYSA-N	377.391	2.060	0	1	GEAF	
CN(C)C1(c2nc(=O)c(O)c(C(=O)NCc3ccc(F)cc3)[nH]2)CCCCC1	28643711	ORROWUDOULVDMN-UHFFFAOYSA-N	388.443	2.266	0	1	GEAF	
CCCn1c(=O)c2[nH]c(C34CCC(C(=O)O)(CC3)CC4)nc2n(CCC)c1=O	34009937	ULGKOBWVPCWKOE-UHFFFAOYSA-N	388.468	2.383	0	1	GEAF	
COc1ccc(S(=O)(=O)n2[nH]c(=O)cc2NC(=O)Nc2cccs2)cc1	36470715	KUCBAVIFGIBJLS-UHFFFAOYSA-N	394.434	2.128	0	1	GEAF	
Cc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)N1CCOc2ccccc2C1	39380775	HOFLOSNQDRVPSO-HXUWFJFHSA-N	393.487	2.107	0	1	GEAF	
CC(=O)N1CCN(C(=O)c2cnc(NCC3CC3)nc2-c2ccccc2)CC1	82133139	KFVGWHWIHHPXTN-UHFFFAOYSA-N	379.464	2.270	0	1	GEAF	
OC[C@H]1[C@H](O)[C@@H](O)CCN1CCCCCOCC12CC3CC(CC(C3)C1)C2	84618206	VIZUYNYAIYKSCL-YTIGLRCGSA-N	381.557	2.178	0	1	GEAF	
CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN[C@@H](C)CO2	95688779	NSJHBAKZFARZIY-DEYYWGMASA-N	377.485	2.129	0	1	GEAF	
CC1=N[C@]2(O)c3ccccc3C(=O)[C@@]2(O)/C1=C(\O)OCCOc1ccccc1	103935021	JMRKCJPKRQWYDT-VIUSAGFSSA-N	381.384	2.099	0	1	GEAF	
COc1cccc(OC)c1C(=O)N1C[C@H]2CN(c3nc(C)cc(C)n3)C[C@@H]2C1	116823762	PJEPFZUFIFXWFK-HOTGVXAUSA-N	382.464	2.319	0	1	GEAF	
CC[C@@H]1CN(Cc2ccc3c(-c4cnn(C)c4)cc(C(N)=O)nc3c2)CCO1	221606693	JTVUZIYJNUEZBC-MRXNPFEDSA-N	379.464	2.345	0	1	GEAF	
CC[C@@H]1C2=C3N(CCCC2)[C@H]([C@@H]2C[C@H](C)C(=O)O2)C[C@@]32OC(=O)[C@H](C)[C@H]2[C@@H]1O	257379554	AQNPGXKKPJKNFG-CKDFBJAISA-N	389.492	2.399	0	1	GEAF	
NC(=O)CNS(=O)(=O)c1cccc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)c1	586935421	GTRFKFSZQGLJOW-UHFFFAOYSA-N	398.366	2.012	0	1	GEAF	
CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2ccnc(O)c2[nH]1	586935948	KIZLCNJSVIJGHE-CYBMUJFWSA-N	378.479	2.436	0	1	GEAF	
COC(=O)c1cc(Cl)c2[nH]c(-c3cc(S(N)(=O)=O)ccc3F)nc2c1	587142427	ZSCSXLXFJSVCMZ-UHFFFAOYSA-N	383.788	2.456	0	1	GEAF	
Cc1nc2[nH]c([C@H](CC(N)=O)NC(=O)CC(C)C)nc2cc1Br	587203829	MKIVOGLVBKTNDP-NSHDSACASA-N	382.262	2.108	0	1	GEAF	
COc1ccc(CCCc2nc3cccc(S(N)(=O)=O)c3[nH]2)c(OC)c1	587928809	MRMGBQAIVMIPPU-UHFFFAOYSA-N	375.450	2.403	0	1	GEAF	
COc1ccc(NC(=O)c2cnc(SC)nc2N2CCOCC2)cc1OC	1857773149	URIRVYFWHKYUDQ-UHFFFAOYSA-N	390.465	2.305	0	1	GEAF	
COc1ncnc2c1ncn2CCCNC1CCN(Cc2ccccc2)CC1	61922620	ZKYAYMGKQVERPA-UHFFFAOYSA-N	380.496	2.479	0	3	GEAF	
CCCCn1nnnc1[C@H](c1ccccc1)N1CCN(c2ncccn2)CC1	95600476	UJYMBSRIRLHBSD-SFHVURJKSA-N	378.484	2.175	0	3	GEAF	
COC(=O)Nc1nc2ccc(NC(=O)N3CCN(c4ccccn4)CC3)cc2[nH]1	5115555	JEGRFXZWEUCCHQ-UHFFFAOYSA-N	395.423	2.490	0	1	GEAF	
COC(=O)[C@@H](C)NC(=O)c1[nH]cnc1C(=O)Nc1ccc(Cl)c(Cl)c1	28524290	JBIRBBPUMBMRIZ-SSDOTTSWSA-N	385.207	2.260	0	1	GEAF	
CCOC(=O)COc1ccc(OCCNC[C@H](O)COc2ccccc2)cc1	29466676	XROICHKUHBNURY-KRWDZBQOSA-N	389.448	2.037	0	1	GEAF	
Cc1ccccc1-c1nc(C(=O)N2CCC[C@H]2C(=O)N2CCCNCC2)co1	82073126	CTZXROIOLKSEGE-SFHVURJKSA-N	382.464	2.077	0	1	GEAF	
CC(=O)NCCNC(=O)c1cnc(N2CCC(C)CC2)nc1-c1ccccc1	82133899	WVUNVIAJVYRAFL-UHFFFAOYSA-N	381.480	2.246	0	1	GEAF	
COc1cc(-c2nn(C(C)C)cc2-c2ccnc(NC[C@H](C)O)n2)cnc1N	95557782	OKBGAVWELCPKEG-LBPRGKRZSA-N	383.456	2.367	0	1	GEAF	
O=C([C@H]1[C@@H]2N[C@@H](Cn3c2ccc(C2=CCCCC2)c3=O)[C@@H]1CO)N1CCCCC1	95881151	AYIQDHWMXPWKFE-FMWKFLBASA-N	397.519	2.069	0	1	GEAF	
C[C@@H](O)c1ccc(-c2ccc3c(c2)OC[C@H]2[C@H](Cn4ccnn4)OC(=O)N32)cn1	96907356	PRNUQWSBQGANSW-LWLIDHTLSA-N	393.403	2.180	0	1	GEAF	
COc1cc2c(cc1OS(N)(=O)=O)CC[C@@H]1[C@@H]3CC[C@@H](O)[C@@]3(C)CC[C@@H]21	135882586	RWIXFHUXVURZCZ-XIBLETAISA-N	381.494	2.495	0	1	GEAF	
COCCN1C(=O)C(=O)[C@@H](C(=O)c2ccccc2)[C@H]1c1cc(OC)ccc1OC	169687593	ICSLNJDFTGEPMX-RTBURBONSA-N	397.427	2.302	0	1	GEAF	
CC(C)C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)N(C)N(C)C#N	205354663	FQQZSNLVMYLAHA-AWEZNQCLSA-N	381.274	2.380	0	1	GEAF	
CC(=O)N1CCN(c2cc(-c3n[nH]c4ccc(OC(C)C)cc34)ncn2)CC1	225638551	QHXACQXFJJOXJU-UHFFFAOYSA-N	380.452	2.476	0	1	GEAF	
CC(C)Oc1cc2nc([C@@H](N)CP(=O)(O)O)[nH]c2cc1Br	586923630	WGHYFNJBEBXMDC-QMMMGPOBSA-N	378.163	2.290	0	1	GEAF	
COc1cc(N)c(I)cc1-c1nc2c(N)ccnc2[nH]1	587178618	HDWUGXPOEOUDEV-UHFFFAOYSA-N	381.177	2.403	0	1	GEAF	
O=C(O)[C@@H]1Cc2cccc(F)c2[C@@H](c2cnn3cc(Br)cnc23)N1	962922090	OUJAHOZPJRTUDU-GXTWGEPZSA-N	391.200	2.319	0	1	GEAF	
CCNc1n[nH]c2cc(NC(=O)N[C@@H](C(=O)N(C)C)c3ccc(F)cc3)ncc12	1772652079	LXKMXZVZUDSMCQ-MRXNPFEDSA-N	399.430	2.480	0	1	GEAF	
COC(=O)C1=C2Nc3cc(OC)c(O)cc3[C@]23CCN2CC[C@@H]4OCC[C@]4(C1)[C@@H]23	2356577671	LZVMXRSCSWSPDH-ZHNGQKSSSA-N	398.459	2.148	0	1	GEAF	
CCN(CC)C(=O)COc1ccc2c(c1)C(=O)CC1(CCN(C(C)=O)CC1)O2	2464917	NTJGOXMIUVFWPI-UHFFFAOYSA-N	388.464	2.280	0	1	GEAF	
OCCCNc1cncc(-c2ncnc(Nc3ccc4c(c3)OCCO4)n2)c1	3937628	NDADSQVDVRXBPR-UHFFFAOYSA-N	380.408	2.243	0	1	GEAF	
C[C@H]1CCCCN1CCNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1	4971475	WTZNATOHEHUOPF-HNNXBMFYSA-N	391.537	2.138	0	1	GEAF	
CCOC(=O)c1c(NC(=O)N2CCSCC2)sc2c1CCN(C(C)=O)C2	13443756	OZLHCYKSTVSYLD-UHFFFAOYSA-N	397.522	2.410	0	1	GEAF	
Cc1oc(-c2ccccc2)nc1CCOc1ccc(CC(C(N)=O)C(N)=O)cc1	29564566	IAYSZFMDKTUMLT-UHFFFAOYSA-N	393.443	2.401	0	1	GEAF	
CN(C)[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O	34742737	DBOZSHPCHMBNPG-PMACEKPBSA-N	379.460	2.453	0	1	GEAF	biogenic
CC[C@H](C)[C@@H](OC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](C(=O)OC(C)(C)C)C(C)C	96903582	KBTKFANUSQUABR-CAOSSQGBSA-N	386.533	2.410	0	1	GEAF	
COC(=O)c1ccc2[nH]c(-c3ccc(NS(C)(=O)=O)cc3)nc2c1OC	586950851	ODZPHDSTMAWDCL-UHFFFAOYSA-N	375.406	2.397	0	1	GEAF	
COc1cc2c3c(c1)O[C@@H]([C@@H](c1nc4ccccc4[nH]1)S(C)(=O)=O)[C@@H](C2)C3=O	587447760	FMHHOSCQOCEALB-RQUSPXKASA-N	398.440	2.473	0	1	GEAF	
C=CC(=O)NC[C@H]1CCNc2c(C(N)=O)c(-c3ccc(OCC4CC4)cc3)nn21	1772598015	LPBKPSUKUNQACV-OAHLLOKOSA-N	395.463	2.097	0	1	GEAF	
CC=C1CN(O)[C@H]2C[C@H]1[C@H](C(=O)OC)[C@]13C[C@H](OC)O[C@]21Nc1ccccc13	2356868502	XCLDTOXQHMMFCM-YIKFJYPJSA-N	386.448	2.268	0	1	GEAF	
Cn1c(=O)c2c(-c3ccccc3)n(-c3cc(C(=O)O)ccc3O)cc2n(C)c1=O	72136695	XXESXCWVBLSFJM-UHFFFAOYSA-N	391.383	2.099	0	3	GEAF	
Cc1ccccc1CN1CCN(c2ncc(C(=O)NCCN(C)C)s2)C1=O	206016712	RBANJPJLSMVAQW-UHFFFAOYSA-N	387.509	2.185	0	3	GEAF	
CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C/CCCC(=O)NCCO	5978188	XCVCLIRZZCGEMU-FPLRWIMGSA-N	397.556	2.067	0	1	GEAF	endogenous,in-man
CCOC(=O)CN1CCN(c2ncc(C)c(NCc3ccccc3F)n2)CC1	82203606	CXOWLFZYMQYFRF-UHFFFAOYSA-N	387.459	2.221	0	1	GEAF	
CO[C@H]1COCC[C@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2CCc3ncccc3C2)C1	95598268	IDPCGLQTORUCBB-XLQGDHTPSA-N	399.535	2.309	0	1	GEAF	
COc1cc(F)ccc1OCCNCCCCN1C(=O)[C@H]2CCCN2C1=O	96933085	OKFMKTGJDSWRMG-OAHLLOKOSA-N	379.432	2.010	0	1	GEAF	
COC(=O)[C@H]1C[C@@]23[C@@H]4[C@H]5CC[C@]2(CO)[C@@H](CC[C@H]2CC[C@@H]1[C@]23O)CN4C[C@@H]5C	255277295	WOGFLAZQXDWGSH-IRVDOIDXSA-N	389.536	2.056	0	1	GEAF	
CCS(=O)(=O)c1ccc2nc(CS(=O)(=O)c3ccc(OC)cc3)[nH]c2c1	586921156	ZUMHRHAZLOQYEN-UHFFFAOYSA-N	394.474	2.339	0	1	GEAF	
CNS(=O)(=O)N1CCC(c2nc3ccc(Br)c(C)c3[nH]2)CC1	586954587	KRLYXHIBKDFBDB-UHFFFAOYSA-N	387.303	2.277	0	1	GEAF	
COC(=O)CC[C@@]1(C(=O)OC)N[C@H](C)Cc2cc(Br)c(F)cc21	587805164	GZQBJIGFXNNRGP-JDNHERCYSA-N	388.233	2.444	0	1	GEAF	
Cc1noc(-c2nc(C)c3c(c2N)C(=O)N(Cc2ccc(Cl)cn2)C3=O)n1	653775416	SPXSOUPXCKUIJM-UHFFFAOYSA-N	384.783	2.175	0	1	GEAF	
NC(=O)N1CCCc2cc(-c3cncc(CNC(=O)C4CCOCC4)c3)cnc21	1772590191	YPHWRNGNTQNIRD-UHFFFAOYSA-N	395.463	2.018	0	1	GEAF	
CC(C)=CC[C@H]1C(=O)N2c3ccccc3[C@H]1[C@]21NC(=O)C(=Cc2c[nH]cn2)N1	2356378354	GZLJILCJSJSFSB-FPDPHYFHSA-N	375.432	2.240	0	1	GEAF	
CC[C@@H]1[C@H](O)[C@@H]2[C@H](C)C(=O)O[C@]23C[C@H]([C@@H]2C[C@H](C)C(=O)O2)N2CCCC[C@H]1[C@@H]23	2356435538	FQNFTSJPXXRUHI-RSKFDNCTSA-N	391.508	2.130	0	1	GEAF	
CC(C)(C)[C@H](C(=O)NCc1ccccc1)N1CCN(C(=O)[C@H]2CCCO2)CC1	199246274	SNFRQKUJPJADRW-MOPGFXCFSA-N	387.524	2.041	0	3	GEAF	
CCCc1cc(=O)oc2cc(C)cc(OCC(=O)N[C@H](CSC)C(=O)O)c12	6204913	XNYWSQRQJPAQTF-CYBMUJFWSA-N	393.461	2.365	0	1	GEAF	biogenic
COc1c(O)cc2c(c1OC)[C@@]13CCN(C)[C@@H](CC2)C1=C[C@@H](O)[C@@H](OC)C3	13310655	VXVBTTAGDJBDTB-ATUDVECKSA-N	375.465	2.004	0	1	GEAF	biogenic
O=P(O)(O)[C@H](N[C@H]1CCc2ccccc21)c1cccc2nc(O)c(O)nc12	13440524	IEOATOPXFRBXIK-UGSOOPFHSA-N	387.332	2.494	0	1	GEAF	
CCS(=O)(=O)N1C(=O)[C@@H](Cc2ccccc2)[C@H]1COC(=O)c1ccccc1	13862669	JEQNZGQMTSGKBL-ZWKOTPCHSA-N	387.457	2.263	0	1	GEAF	
COc1c(O)cc2c(c1OC)[C@@]13CCN(C)[C@@H](CC2)C1=C[C@H](O)[C@@H](OC)C3	14416477	VXVBTTAGDJBDTB-BJMYLWLSSA-N	375.465	2.004	0	1	GEAF	biogenic
CCN1CCC[C@@H]1CNC(=O)c1c(N)c(Br)cc(OC)c1OC	34223418	JVZAYLSEXNKOFB-SNVBAGLBSA-N	386.290	2.263	0	1	GEAF	
Cc1cc(N)nc(C[C@@H]2CNC[C@H]2NCCNCCc2ccc(Cl)cc2)c1	40940232	HWRHGOUNQXGWCL-YLJYHZDGSA-N	387.959	2.178	0	1	GEAF	
CC(=O)N1[C@H](CO)[C@H](c2ccc(-c3ccncc3)cc2)[C@@H]1CNC(=O)CC1CC1	95667226	CSZHGHOCTZQAQV-QZNHQXDQSA-N	393.487	2.340	0	1	GEAF	
O=C1C[C@@H](c2nc3ccc(-n4cnnn4)cc3[nH]2)CN1Cc1ccc(F)cc1F	587149062	LQXQZELVNHAIBT-GFCCVEGCSA-N	395.373	2.333	0	1	GEAF	
CC[C@H](c1nc2cc(N)ncc2[nH]1)n1cc(I)c(C)n1	587184672	LQLZDIAXNOZJTE-LLVKDONJSA-N	382.209	2.649	0	1	GEAF	
Nc1nccc2nc(-c3ccc4ncc(I)n4c3)[nH]c12	587187547	ILVBGZCOTXJKKY-UHFFFAOYSA-N	376.161	2.459	0	1	GEAF	
COCCNC(=O)c1cccc(NC(=O)CCc2nc3cccc(O)c3[nH]2)c1	587230224	GQZOGIWOLZGUPG-UHFFFAOYSA-N	382.420	2.216	0	1	GEAF	
CCCn1c(=O)c2c(nc3n2CCCN3c2ccc(O)cc2)n(CCC)c1=O	653838803	RXNRMBNHEWCTIY-UHFFFAOYSA-N	383.452	2.427	0	1	GEAF	
CNC(=S)N[C@@H](CC(C)C)NC(=O)/C=C/c1cc(OC)c(OC)c(OC)c1	1772623383	ROVGKDTZOQMACD-WAVCKPEOSA-N	395.525	2.308	0	1	GEAF	
CC[C@@H](CO)Nc1ccc2ncc(-c3cccc(C(=O)N[C@H](CC)CO)c3)n2n1	1772647441	KCXBBJNHGRCSQQ-DLBZAZTESA-N	397.479	2.080	0	1	GEAF	
C[C@]1(CO)CN(Cc2ccccc2)C[C@H]2CN(C(=O)c3ccccc3)CCN21	2356343704	SGEJPTCNJXWDME-JTHBVZDNSA-N	379.504	2.080	0	1	GEAF	
COc1ccc(C(=O)Nc2ccnn2C2CCN(C(=O)[C@@H]3CCOC3)CC2)cc1	15070417	QNWOYGNLPATUDL-MRXNPFEDSA-N	398.463	2.344	0	3	GEAF	
COc1cc(-c2oc3c(OC)c(O)cc(O)c3c(=O)c2OC)c(O)cc1O	15271532	UXFPAEPYYLSQED-UHFFFAOYSA-N	376.317	2.308	0	1	GEAF	biogenic
O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)N1c2ccccc2C[C@H]1CO	22941524	XPXUMEWYIRREDK-FQEVSTJZSA-N	399.922	2.408	0	1	GEAF	
CS(=O)(=O)Nc1cc([C@@H](O)CNC2(Cc3ccccc3)CC2)ccc1O	33824059	UMDQAHHCAXBNNT-SFHVURJKSA-N	376.478	2.162	0	1	GEAF	
O=C(O[C@]12[C@H]3[C@H]4C[C@@H]5[C@@H]6[C@H]4[C@@H]1[C@H]6[C@@]1(OCCCN12)[C@@H]35)c1n[nH]c2ccccc12	169293144	NKBYXRWOKPTCIZ-TVEFJWDMSA-N	375.428	2.236	0	1	GEAF	
COc1ccc2c3c1O[C@@H]1C(=O)[C@@H](C)C[C@]4(O)[C@@H](C2)N(CC2CCC2)CC[C@@]314	169304802	HQDQOBZHPVEXBG-STDXTYFESA-N	383.488	2.465	0	1	GEAF	
COc1cccc([C@@H]2C3=C(COC3=O)N(CCO)c3cc4c(cc32)OCCO4)c1	198347803	LFLKZTIFAOFDNF-FQEVSTJZSA-N	395.411	2.222	0	1	GEAF	
O=C1CCNC(=O)N1C[C@H]1CC[C@H](C(=O)N2CCN(c3ccccc3)CC2)CC1	299868032	ZGMIUAWRVCHYGG-IYARVYRRSA-N	398.507	2.084	0	1	GEAF	
O=C(NCCc1nc2ccc(S(=O)(=O)O)cc2[nH]1)OCc1ccccc1	587228516	RFSJYCWOYHWYHL-UHFFFAOYSA-N	375.406	2.279	0	1	GEAF	
Cn1nc(-c2cnc(N)c(C(F)(F)F)c2)cc1[C@@H]1[C@H]2CN(C3COC3)C[C@H]21	1857752518	UYFJRVKHJDYYFQ-ATCWAGBWSA-N	379.386	2.127	0	1	GEAF	
CN(C)CCN(C)C[C@@H]1CN2CC[C@H]1C[C@H]2CNC(=S)Nc1ccccc1	2356839633	LWLOMBPCYHHFOD-NSHGMRRFSA-N	389.613	2.177	0	1	GEAF	
Cc1ccccc1S(=O)(=O)NC(=O)NS(=O)(=O)c1ccccc1Cl	754138	HXSQSBXTRBPMOK-UHFFFAOYSA-N	388.854	2.025	0	1	GEAF	
C[C@H]1CCC[C@@H](NC(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)[C@@H]1C	6435899	SJIAFGFEYJAHQX-JJRVBVJISA-N	398.500	2.401	0	1	GEAF	
CN1[C@H](CO)c2c(ccc3c2OCO3)[C@@]2(C)[C@@H](O)Cc3cc4c(cc3[C@@H]12)OCO4	14930725	ITHDULRNNUUBTI-SHYZFUQISA-N	397.427	2.039	0	1	GEAF	
CC(C)n1cnc2c(NCCCc3ccccc3)nc(N(CCO)CCO)nc21	26649880	AWBNXVUPEDKBTF-UHFFFAOYSA-N	398.511	2.243	0	1	GEAF	
C[C@@H]1CN(C=O)[C@H]2[C@@H]1CC[C@@]1(CO)C(=O)CC[C@H]3CCC=C3[C@@]21CCC(=O)O	28969651	QRJZOBVZBAQMAH-BIOIKTAESA-N	389.492	2.402	0	1	GEAF	
CCOC(=O)c1cnc(Sc2ccccc2)nc1NN1C(=O)C=C(C)C1=O	29400356	KBGATAWDHCZFQR-UHFFFAOYSA-N	384.417	2.447	0	1	GEAF	
Cc1cc(O)c(=O)c(O)c2c1C[C@@H]([C@](C)(O)C[S@@](=O)c1ccccc1)CC2	72108047	JRNBDAVSAUMCRT-COAZGKSZSA-N	388.485	2.430	0	1	GEAF	
O=C1[C@@H]2CSCN2C(=O)N1CCCCNC[C@H]1CCc2ccccc2O1	73258838	APPZMJDNMFQDTM-CVEARBPZSA-N	375.494	2.087	0	1	GEAF	
COC(=O)C[C@H]1CC[C@H](NC(=O)Nc2ccc(C(F)(F)F)cc2)[C@H](CO)O1	95675890	HFDKIVHAHGCNSH-RDBSUJKOSA-N	390.358	2.299	0	1	GEAF	
COc1ccc2c3c1O[C@H]1C[C@@H](OC(=O)C[C@H](C)O)CC[C@@]31CCN(C)C2	139612533	JALVGDGROFEEJD-DAJCZCSUSA-N	375.465	2.396	0	1	GEAF	
CCc1ccc(Nc2cccc3c2C(=O)N([C@@H]2CCC(=O)NC2=O)C3=O)cc1	169322257	ULINOSHVWNYBFD-MRXNPFEDSA-N	377.400	2.394	0	1	GEAF	
CO[C@@H]1CCC[C@@H]([C@H](C)Nc2nc(N3CCC[C@@H](C(N)=O)C3)ncc2C)C1	299881753	OOFOHMVGJVOGTA-YLFCFFPRSA-N	375.517	2.492	0	1	GEAF	
COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2ccc(S(N)(=O)=O)cc2[nH]1	586916448	MMRHSJODGQJYDZ-AUUYWEPGSA-N	385.445	2.427	0	1	GEAF	
CCn1cc(Br)c(Cc2nc3ccc(S(=O)(=O)O)cc3[nH]2)n1	587000805	RIGALAUTCGQCSH-UHFFFAOYSA-N	385.243	2.379	0	1	GEAF	
CCNc1n[nH]c2cc(NC(=O)N[C@H](C(=O)N(C)C)c3ccc(F)cc3)ncc12	1772652078	LXKMXZVZUDSMCQ-INIZCTEOSA-N	399.430	2.480	0	1	GEAF	
COc1ccc(CCN2C=N[C@@H]3C(=O)NC(Cc4ccccc4)=N[C@@H]32)cc1OC	1857562713	GULAXBNPPVABLG-LEWJYISDSA-N	392.459	2.056	0	1	GEAF	
FC(F)(F)Oc1cccc(N=c2nc(N3CCOCC3)c3nc[nH]c3[nH]2)c1	1857745468	CWRICBKNEHBCBZ-UHFFFAOYSA-N	380.330	2.254	0	1	GEAF	
CC=C1[C@H]2C[C@H]3C4=Nc5ccc(OC)cc5[C@@]45C[C@@H]([C@@H]2[C@H]5OC(C)=O)N3[C@H]1O	2356681723	DCLQJGLKBIQNJC-MUXVNNKLSA-N	380.444	2.322	0	1	GEAF	
COc1ccc2c(c1)[C@@]13C[C@H]4[C@H]([C@H]5C[C@@H](C1=N2)N4[C@H](C)[C@@H]5CO)[C@@H]3OC(C)=O	2356852643	QRTSGQHCBPBPBT-AVAIDGKPSA-N	382.460	2.054	0	1	GEAF	
NS(=O)(=O)Nc1c(Br)cc(Br)c2cccnc12	13815871	CHAACGCFICINHP-UHFFFAOYSA-N	381.049	2.375	0	1	GEAF	
O=C1c2ccccc2S(=O)(=O)N1CCCCN1CCN(c2ccccc2)CC1	28866095	TWQROZICHMTHNN-UHFFFAOYSA-N	399.516	2.434	0	1	GEAF	
CCNC[C@@H]1CNC(=O)c2cc3ccc(C(=O)Nc4nccs4)cc3n2C1	29125753	XQZOZIZDEUGUED-GFCCVEGCSA-N	383.477	2.319	0	1	GEAF	
COc1ccc([C@H]2CC(c3ccc(S(C)(=O)=O)cc3)=NN2C(N)=S)cc1	66252539	JEVIIJRBHPCESW-QGZVFWFLSA-N	389.502	2.493	0	1	GEAF	
CN(CCCNCc1ccc2c(c1)OCCO2)c1nc(-n2ccnc2)ns1	73196316	OSDFDGCLGFLARV-UHFFFAOYSA-N	386.481	2.111	0	1	GEAF	
COC(C)(C)c1cc2nc(-c3cnc(N)nc3)nc(N3CCOCC3)c2s1	95576530	BRCOIQMZYMWNIS-UHFFFAOYSA-N	386.481	2.449	0	1	GEAF	
CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@H](C)NC[C@H]1C	95679684	MLEIFZNHXKEZCN-TYILLQQXSA-N	389.496	2.129	0	1	GEAF	
C[C@@H]1CC[C@@]2(O)[C@@]13CC(=O)[C@]1(C)[C@](OC(=O)c4ccccc4)(OC[C@]21C)[C@@H]3O	101623293	BRRTVYWNYBLCAX-CTZZFQEHSA-N	386.444	2.077	0	1	GEAF	
COCc1cccc(N2CCC(OC(=O)N3CCN(C(C)C)CC3)CC2)n1	223530502	ANZLPACHPLDKEU-UHFFFAOYSA-N	376.501	2.359	0	1	GEAF	
COc1ccc2c3c1O[C@@H]1[C@H](O)C=C[C@@H]4[C@@H](C2)N([C@@H]2CCCC[C@H]2O)CC[C@]314	253636529	ROOIUTBGPBWDFU-SHLAUYFASA-N	383.488	2.175	0	1	GEAF	
NC(N)c1ccc(SCCOCCSc2ccc(C(N)N)cc2)cc1	474609806	VMUCEGCAQANNFY-UHFFFAOYSA-N	378.567	2.420	0	1	GEAF	
NS(=O)(=O)c1ccc2nc([C@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2c1	587076527	MUAIFOXNPGZJCB-OAHLLOKOSA-N	376.825	2.481	0	1	GEAF	
COc1cc2nc(CNC(=O)CNC(=O)OCc3ccccc3)[nH]c2cc1F	587227422	MITDLBFLQLTSQQ-UHFFFAOYSA-N	386.383	2.253	0	1	GEAF	
COc1cc2c3c(c1)O[C@@]1([C@H]4CO[C@@H]1CN(C(=O)OC(C)(C)C)C4)[C@@H](C2)C3=O	587443797	MAWDLHXUEHNDQD-ODKMCVQBSA-N	387.432	2.447	0	1	GEAF	
COC(=O)Cn1cccc1[C@@H]1c2ccccc2C[C@]2(C3CCC3)C(=O)NC(=O)N12	962672908	UGFSJRLJXFGMCQ-UGKGYDQZSA-N	393.443	2.397	0	1	GEAF	
Cc1ccc(C2=Nc3c(n[nH]c3C)N=C3NC(N4CCOCC4)=NC=C32)cc1	1857649762	RSYZLOYFJHZIQR-UHFFFAOYSA-N	375.436	2.366	0	1	GEAF	
CC=C1CN2[C@H]3C[C@]45c6cc(OC)cc(OC)c6N[C@@]4(O3)[C@H]2C[C@H]1[C@@H]5C(=O)O	2356637770	DQVHXLYSIWOSII-MVIPDBNSSA-N	384.432	2.175	0	1	GEAF	
CC[C@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cccn1C	101134629	VSDUWIRSSWYOEX-ZDUSSCGKSA-N	396.447	2.335	0	1	GEAF	
O=C(N[C@@H]1CO[C@@H]2[C@H]1OC[C@@H]2n1cc(-c2ccccc2)nn1)c1ccccc1	25413716	JAPQAMUHOQNTPU-FYQPLNBISA-N	376.416	2.082	0	1	GEAF	biogenic
O=C(C1CCC1)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2Cc1nccs1	95864472	FOGZHRWNUGWZRX-IEBWSBKVSA-N	383.517	2.485	0	1	GEAF	
O=C(Nc1cnc2ccc(Cl)cn2c1=O)N1CCN(c2ccccn2)CC1	95577860	UWPVJLYBFIYETE-UHFFFAOYSA-N	384.827	2.097	0	1	GEAF	
COc1cccc(N2CCN(CN3C(=O)C[C@](C)(c4ccccc4)C3=O)CC2)c1	96921842	PDXYGLFZMMSOBR-HSZRJFAPSA-N	393.487	2.492	0	1	GEAF	
CN1C[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@@]12C(=O)Nc1ccc(Cl)cc12	254129226	DILGOMWLIDDFQA-OWZDWXTDSA-N	381.819	2.239	0	1	GEAF	
CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3nccc(C(=O)OC)c3[nH]2)cc1	586937410	DBZPZQMHAWUYNR-NSHDSACASA-N	388.449	2.488	0	1	GEAF	
CCN(CC)S(=O)(=O)c1ccc(-n2ncc3ccc(Cl)cc3c2=O)nc1	587654525	KYHHESKNMZPASK-UHFFFAOYSA-N	392.868	2.465	0	1	GEAF	
Nc1ncnc2nc(-c3cccc(=O)n3CCOc3ccccc3Cl)[nH]c12	587065062	YVXXLHIDRVTLBA-UHFFFAOYSA-N	382.811	2.496	0	1	GEAF	
C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc3c(cc2[nH]1)OC(F)(F)O3	586959955	UHFOZMUVWNBEEA-OAHLLOKOSA-N	397.359	2.353	0	1	GEAF	
O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@@](c2ccccn2)([C@@H]2CCNC2)N1	962968542	OROYORBNBYTDJM-UOTLPGLASA-N	393.821	2.465	0	1	GEAF	
CC[C@H]1CC[C@@]2(C)CN(CC)[C@H]3[C@@H]4[C@@H](O)[C@H]2[C@@]13[C@@H]1C[C@@H]2CC[C@@]4(O)[C@H]1C(=O)O2	1772645060	ALJPNEUKWIMJBY-QZKWGTEMSA-N	389.536	2.197	0	1	GEAF	
CN1[C@@H]2COC[C@H]1C[C@@H](NC(=O)c1cn(-c3cccnc3)c3ncccc13)C2	1772587407	CZZVRBMSYUWKTG-XGBSXSJOSA-N	377.448	2.012	0	1	GEAF	
C[C@@H]1C[C@@](C)(O)[C@@H]2[C@@]3(C)CCC[C@@]2(COC3=O)[C@@]12CC[C@@]1(CCOC1=O)O2	17039969	SXRSWIKTOZHQDT-WJAYGDSLSA-N	378.465	2.362	0	1	GEAF	
COc1ccc(CCN2C=N[C@H]3C(=O)NC(Cc4ccccc4)=N[C@@H]32)cc1OC	1857562714	GULAXBNPPVABLG-NHCUHLMSSA-N	392.459	2.056	0	1	GEAF	
Cc1ccccc1-c1noc(Cn2nc(CC(=O)O)c3ccccc3c2=O)n1	13449022	MIGOKAKNQQTPHE-UHFFFAOYSA-N	376.372	2.430	0	1	GEAF	
COc1cccnc1-n1ccnc1[S@](=O)Cc1ccccc1N1CCOCC1	13746310	XVTUCURXKWATAK-NDEPHWFRSA-N	398.488	2.420	0	1	GEAF	
COC(=O)C1=CNC(=O)[C@@H]([C@H](C)O)[C@@H]1Cc1nccc2c1[nH]c1ccccc12	14583384	KSPXMTWHAXXRIJ-FVMIAERFSA-N	379.416	2.059	0	1	GEAF	
O=S1(=O)c2ccccc2-c2nn(CCNCCO)c3ccc(Cl)c1c23	29320318	RNNSEPAWKIYCNS-UHFFFAOYSA-N	377.853	2.085	0	1	GEAF	
COc1ccc(OC)c(CCNc2nc(N3CC[C@@H](NC(C)=O)C3)ncc2C)c1	82204288	RNQFHBDWJUPZPH-QGZVFWFLSA-N	399.495	2.172	0	1	GEAF	
COc1cccc(OC)c1C(=O)N1C[C@@H]2CN(c3nc(C)cc(C)n3)C[C@H]2C1	116823764	PJEPFZUFIFXWFK-HZPDHXFCSA-N	382.464	2.319	0	1	GEAF	
CC(C)(O)c1coc(Cn2ncc(NC(=O)c3ncoc3-c3ccccc3)n2)n1	200096039	NRHWULLOWPGZHO-UHFFFAOYSA-N	394.391	2.449	0	1	GEAF	
COc1cccc(OC)c1C(=O)Nc1c[nH]nc1C(=O)NCCCOC(C)C	299819681	DEDDSEFDSDYLPC-UHFFFAOYSA-N	390.440	2.224	0	1	GEAF	
CC[C@@H](C)n1ncc(I)c1-c1nc2c(O)nncc2[nH]1	587180271	GAXQPRJGYUNSAO-ZCFIWIBFSA-N	384.181	2.498	0	1	GEAF	
Nc1ccnc2[nH]c(-c3ccc4ncc(I)n4c3)nc12	587187907	MUNYDTOBEQBMNH-UHFFFAOYSA-N	376.161	2.459	0	1	GEAF	
COC(=O)c1ccc2nc(C[C@@H](NC(=O)OCc3ccccc3)C(=O)O)[nH]c2c1	587201680	ASPUKDZQBAYTSJ-MRXNPFEDSA-N	397.387	2.272	0	1	GEAF	
CCOC(=O)C(C[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3)C(=O)OCC	587443106	TXMKCRZLSQKOQO-JLTOFOAXSA-N	376.405	2.334	0	1	GEAF	
COCCCn1cc(NC(=O)c2csc(-c3nncn3C(C)C)n2)cn1	1772602611	PIANLIIIHXAQJU-UHFFFAOYSA-N	375.458	2.468	0	1	GEAF	
CCOC(=O)C1=C(N)Oc2n[nH]c(C)c2[C@H]1c1cc(=O)oc2ccc(OC)cc12	1857628716	DGKRAYUEONXKLY-MRXNPFEDSA-N	397.387	2.091	0	1	GEAF	
O=C(CCc1ccccc1)N1CCC(O)(Cn2cnc3sccc3c2=O)CC1	1857771871	QTJXIIYCQFORAY-UHFFFAOYSA-N	397.500	2.444	0	1	GEAF	
Cc1nnc2ccc(C(=O)NC3CN(c4cc(Cl)ncc4Cl)C3)cn12	1911579785	AFRMEEZYPRPRRR-UHFFFAOYSA-N	377.235	2.358	0	1	GEAF	
O=C(NCCC1=CCCCC1)C1CCN(S(=O)(=O)N2CCCCC2)CC1	3048738	IEUOVTAMBQTNHD-UHFFFAOYSA-N	383.558	2.436	0	1	GEAF	
CCC[C@H]1C(=O)N(COC(=O)c2c(Cl)cccc2Cl)S(=O)(=O)N1C	3826059	STFKOBHKIOVRFY-NSHDSACASA-N	395.264	2.295	0	1	GEAF	
CCCCO[C@H]1C[C@@H](C(=O)N[C@@H](CO)[C@@H](C)CC)N(C(=O)c2ccco2)C1	4545963	FWAFAYUTYQILIP-QAETUUGQSA-N	380.485	2.203	0	1	GEAF	
COc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(C)CC(=O)N32)cc1	12360810	SZAHZDWQDQKNTJ-WIYYLYMNSA-N	375.428	2.491	0	1	GEAF	
CN(C)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccc(Cl)c2)cc1	26961827	UBXCXOLZLXDFSH-SFHVURJKSA-N	397.928	2.424	0	1	GEAF	
COc1ccc(C(=O)[C@H](CC(=O)N2CCC[C@H]2C(=O)O)SC(C)=O)cc1F	27316744	KSBWXWURYXGMSM-ZFWWWQNUSA-N	397.424	2.131	0	1	GEAF	
N[C@@H](CCC(=O)Nc1ccc(Oc2ccccc2)cc1)C(=O)NCCC(=O)O	40918709	BFGUATQRAOYSRY-KRWDZBQOSA-N	385.420	2.116	0	1	GEAF	
Cc1cc2c(=O)[nH]cc(Cc3ccc(F)c(C(=O)N4CCCNCC4)c3)n2c1	45392700	FAUHOUDPXZQRLB-UHFFFAOYSA-N	382.439	2.101	0	1	GEAF	
COc1cc(CNc2nc(N3CCC(C(N)=O)CC3)ncc2C)cc(OC)c1	82204265	UTMIKAZZDSWQJK-UHFFFAOYSA-N	385.468	2.116	0	1	GEAF	
C[C@H]1CNc2c(NC(=O)c3ccco3)c(=O)n(Cc3ccc(F)cc3)c(=O)n21	82212645	OFOBMUIKHVFIID-NSHDSACASA-N	384.367	2.029	0	1	GEAF	
COc1ccc(NC(=O)N2CCN(c3nc(N)nc4scnc34)CC2)cc1	205811360	PFSGRYSHTMXMAJ-UHFFFAOYSA-N	385.453	2.031	0	1	GEAF	
N[C@H](C(=O)N1CC[C@H](F)C1)[C@H]1CC[C@H](NC(=O)c2ccc(F)c(F)c2)CC1	253636740	UUCMWQOGZNNWGQ-MJFSBKNWSA-N	383.414	2.151	0	1	GEAF	
O=S(=O)(NCc1cccs1)c1ccsc1-c1nc2c(O)ncnc2[nH]1	586945000	AXBXYSMFKDWHGO-UHFFFAOYSA-N	393.475	2.327	0	1	GEAF	
CN1C[C@H](C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)CC1=O	587657268	SSQNUIZDUYQHTJ-GFCCVEGCSA-N	383.354	2.460	0	1	GEAF	
CCN(CC)c1ccc(-c2nn(C(=O)CC(N)=O)c(=O)c3ccccc23)c(O)c1	587666514	FFNYTRQTIMCWMT-UHFFFAOYSA-N	394.431	2.131	0	1	GEAF	
CCOC(=O)[C@@H]1CNCC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12	587797403	SHLBVJAFDPHDIX-YOIRWDDOSA-N	385.277	2.490	0	1	GEAF	
OC[C@H](O)c1cccc(-n2ncc3c(NCCc4ccccc4)ncnc32)c1	621477642	RRRZUDSRCZMDGN-IBGZPJMESA-N	375.432	2.496	0	1	GEAF	
NCC[C@@]1(c2ccccc2N)N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21	962973139	VBPUKGVWOBKUFX-KSSFIOAISA-N	381.810	2.392	0	1	GEAF	
COc1ccc2c(c1)[C@H]1C[C@](C)(NC(=O)[C@@H]1S(=O)(=O)c1ccc(F)cc1)O2	2715996	GJKPWCBSLUIPLX-SZVBFZGTSA-N	391.420	2.389	0	1	GEAF	
COC(=O)[C@@]1(C)N[C@H](c2cccs2)[C@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]21	19460703	SFPGMLMXUYNMNH-HRLGVUPISA-N	388.420	2.269	0	1	GEAF	
COc1cc2nc(N3CCC(CC(=O)NCC4CC4)CC3)nc(N)c2cc1OC	25965186	OHRDRIOXKSBXGK-UHFFFAOYSA-N	399.495	2.362	0	1	GEAF	
CCCCN1CC2(CCN(C[C@@H](O)[C@@H]3COc4ccccc4O3)CC2)OC1=O	28762262	IWAQDHIFFZYRIZ-APWZRJJASA-N	390.480	2.274	0	1	GEAF	
CS(=O)(=O)Nc1cccc2c(O)cc(C(=O)Nc3cccc(F)c3O)nc12	95588839	NYWABVWSBQZVDY-UHFFFAOYSA-N	391.380	2.409	0	1	GEAF	
CCNC[C@@H]1[C@H](c2ccc(-c3ccc(F)cc3)cc2)[C@H](CO)N1S(C)(=O)=O	95895970	IVSMRWMRBRIPIG-AABGKKOBSA-N	392.496	2.191	0	1	GEAF	
O=C(NCC[C@H]1CC[C@H](NC(=O)C2CCCC2)[C@@H](CO)O1)c1ccc(F)cc1	95903421	PCXDMLTYWGHPKQ-CEXWTWQISA-N	392.471	2.161	0	1	GEAF	
CNc1ncc2c(n1)CN(C(=O)N[C@H](CO)c1ccc(F)c(Cl)c1)CC2	169329960	TXPDTPCVPUCNLG-OAHLLOKOSA-N	379.823	2.112	0	1	GEAF	
CCCCO[C@@H]1C[C@H](C(=O)N[C@H]2CCCC[C@@H]2O)N(C(=O)c2ccco2)C1	299882957	QPCJRTYAFRCPPY-TWMKSMIVSA-N	378.469	2.099	0	1	GEAF	
COC(=O)c1ccc2nc(Cc3ccccc3NS(C)(=O)=O)[nH]c2c1OC	586949826	BQJFDOFFBWNORC-UHFFFAOYSA-N	389.433	2.320	0	1	GEAF	
Cc1cc2nc(-c3nn(CC(=O)O)cc3I)[nH]c2c(C)n1	587186213	UTXZVJBTXIVRFB-UHFFFAOYSA-N	397.176	2.127	0	1	GEAF	
COC(=O)CN1CCC2(CC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1	587583621	UHSQLJBEOGNWGM-SFHVURJKSA-N	383.400	2.361	0	1	GEAF	
CNC(=O)[C@H]1CN(c2ccc(-n3cc(-c4ccccn4)cn3)c(F)c2)C(=O)O1	653790193	NWNIEGLQWHZAJN-QGZVFWFLSA-N	381.367	2.145	0	1	GEAF	
COc1cc([C@H]2Oc3c(OC)cc4c(c3O[C@@H]2CO)OC(=O)CC4)ccc1O	2356638041	PVFWJJXEIREHOT-NVXWUHKLSA-N	388.372	2.134	0	1	GEAF	
CN1CC(=O)N2[C@H](C[C@H]3c4ccccc4N[C@@H]3[C@H]2c2ccc3c(c2)OCO3)C1=O	22001375	ZUQFYMRCEZGBHF-ZEPOWFQYSA-N	391.427	2.107	0	1	GEAF	
CC1=NN(c2ccc(OCCCC[C@H](CO[N+](=O)[O-])O[N+](=O)[O-])cc2)C(=O)C1	40954009	DWRNWTPJMDDAFV-OAHLLOKOSA-N	396.356	2.134	0	1	GEAF	
CC(C)n1c(=O)c(NC(=O)c2ccco2)c2n(c1=O)C[C@H](Cc1ccccc1)N2	82205600	WRYINPUSGBLZIV-HNNXBMFYSA-N	394.431	2.473	0	1	GEAF	
Cc1c(C(=O)NCc2ccccc2)[n+]([O-])c2cc(C(F)(F)F)ccc2[n+]1[O-]	102006882	WHWSRQFFMZUIGB-UHFFFAOYSA-N	377.322	2.364	0	1	GEAF	
O=C1CC(=O)N(S(=O)(=O)c2ccc(Cl)cc2)C(=O)N1c1ccccc1	102078930	VTZLZYJYDADLJT-UHFFFAOYSA-N	378.793	2.414	0	1	GEAF	
CN1CCCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3CCCC4)ccc2F)CC1	147290640	BNTKGNCTNJPAHJ-UHFFFAOYSA-N	398.482	2.156	0	1	GEAF	
O=c1cc(OC[C@@H](O)CN2CCN(Cc3ccccc3)CC2)c2ccccc2o1	299839793	ZHCXDLOCSOVNSX-IBGZPJMESA-N	394.471	2.351	0	1	GEAF	
CCOC(=O)[C@@H]1[C@H](c2ccccc2)C[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N12	299847991	AWXNBFBIVFXLHS-YHELAOLJSA-N	392.455	2.044	0	1	GEAF	
Cc1ccccc1NC[C@@H](O)CN1CCN(c2cccc3c2CCC(=O)N3)CC1	1857552161	JPXFQWXZHWYNNK-GOSISDBHSA-N	394.519	2.475	0	1	GEAF	
O=C(CCc1ccccn1)N1CCC[C@@H](CNS(=O)(=O)c2cccs2)C1	13545264	FGVZGCFNCSBUGP-HNNXBMFYSA-N	393.534	2.293	0	3	GEAF	
C[C@@]1(C(=O)Nc2ccc3c(c2)OCCO3)CSCC(=O)N1CC(F)(F)F	199231329	HCUKIFMCSWGEIT-HNNXBMFYSA-N	390.383	2.293	0	3	GEAF	
N[C@@]1(C(=O)O)[C@H](OCc2cccc(Cl)c2Cl)C[C@@H]2[C@H]1[C@@]2(F)C(=O)O	13582199	HJAGDJXFCQXTFE-WJRHDCNNSA-N	378.183	2.103	0	1	GEAF	
CCC[C@H](N[C@@H](C)C(=O)N1N=C(C(C)(C)C)S[C@H]1C(=O)O)C(=O)OCC	27519461	FFCTUKCSPZZYGM-GVXVVHGQSA-N	387.502	2.042	0	1	GEAF	
COC(=O)c1sccc1S(=O)(=O)Nc1cnn(Cc2c(C)noc2C)c1	33423505	MQTYWIGJFRWTEU-UHFFFAOYSA-N	396.450	2.185	0	1	GEAF	
COc1cc([C@H]2OC[C@H]([C@@H](O)c3ccc(O)c(OC)c3)[C@@H]2CO)ccc1O	34096579	MWQRAOGWLXTMIC-WZBLMQSHSA-N	376.405	2.145	0	1	GEAF	biogenic,in-vitro
O=C(C1CCC1)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2Cc1nccs1	95798366	FOGZHRWNUGWZRX-PKOBYXMFSA-N	383.517	2.485	0	1	GEAF	
O=C(Nc1ccc(F)cc1)N[C@@H]1C=C[C@@H](CC(=O)N2CCCCC2)O[C@@H]1CO	95906049	GRROAJFSYBFQKD-RCCFBDPRSA-N	391.443	2.034	0	1	GEAF	
CCCCNC(=O)C1CCC(C/N=c2/c(N3CCC(C)CC3)c(O)c2=O)CC1	101828015	AJTKFDHYXOGZOL-MOHJPFBDSA-N	389.540	2.488	0	1	GEAF	
C[C@@H](c1ccc(Br)cc1)N1C[C@@]23C=C[C@H](O2)[C@@H](C(=O)O)[C@@H]3C1=O	102001554	GOQWWHKSTWYHTI-AVVNTFRYSA-N	378.222	2.377	0	1	GEAF	
FC(F)Oc1ccc(-c2nnc3cncc(CCN4CCOCC4)n23)cc1	103303065	ABRPYUCAABEXTH-UHFFFAOYSA-N	375.379	2.267	0	1	GEAF	
Cc1cnc(C)c(N2C[C@H]3CN(C(=O)c4ccccc4-c4ncn[nH]4)C[C@@H]3C2)n1	116824707	GWHDYKVEWIHRHK-HOTGVXAUSA-N	389.463	2.087	0	1	GEAF	
COC(=O)[C@@H]1C[C@H](O)C[C@@H]2[C@@H]1C(=O)C[C@@H]1C(=O)O[C@@H](c3ccoc3)C[C@@]12C	230087349	LPHWMSVPEOJPHG-HEJOAOGCSA-N	376.405	2.039	0	1	GEAF	endogenous,in-man
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](CCCNS(C)(=O)=O)N1	587839836	IUSHOQKFRKZKEZ-YMTOWFKASA-N	379.295	2.493	0	1	GEAF	
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(C(C)=O)[C@H](C)C3)c(F)c21	653687492	WETNGDSQXSOENZ-SNVBAGLBSA-N	393.390	2.055	0	1	GEAF	
Cc1oc(=O)c2c(c1C)O[C@]1(C)[C@H](O)C[C@@]3(O)C(C)(C)C(=O)CC[C@]3(C)[C@H]1C2	653732481	BYDBIWUWHHXUSH-AIDMAPPWSA-N	390.476	2.458	0	1	GEAF	
CCOC(=O)c1cccc([C@@H]2N[C@H](C(=O)O)Cc3c2cnc2ccccc32)n1	963226530	OMSUKZUOWOSUGK-RBUKOAKNSA-N	377.400	2.495	0	1	GEAF	
Cc1cnn([C@@H]2[C@H]3OC[C@@H](O3)[C@@H](NCc3ccc(Cl)c(Cl)c3)[C@H]2O)c1	2356297587	WLFCRFPUULHAJH-UUAJXVIYSA-N	384.263	2.314	0	1	GEAF	
COc1cc([C@@H]2Oc3c(OC)cc4c(c3O[C@H]2CO)OC(=O)CC4)ccc1O	2356638042	PVFWJJXEIREHOT-RDJZCZTQSA-N	388.372	2.134	0	1	GEAF	
O=C(CCS(=O)(=O)c1cccc2nonc12)NCCc1ccccc1Cl	3665147	PTNAMCFEVYXWFB-UHFFFAOYSA-N	393.852	2.399	0	3	GEAF	
COc1ccc(C(=O)[C@H]2CCCN(C(=O)CCC3=NNC(=O)CC3)C2)c(C)c1	12076122	GKKJWUFVZJJFPG-HNNXBMFYSA-N	385.464	2.471	0	3	GEAF	
CC[C@@H](C)[C@H]1CNC(=O)C(=O)N1CCCc1cc(OC)c(OC)c(OC)c1	13662265	IQFQCRGBJDNMMI-UKRRQHHQSA-N	378.469	2.018	0	3	GEAF	
CNc1ccc(-c2ccc(N3C[C@H](CNC(C)=O)OC3=O)cc2F)ccc1=O	11525242	RPQZZKCWHJKWAW-HNNXBMFYSA-N	385.395	2.356	0	1	GEAF	
COC(=O)[C@@H]1C[C@H](O)[C@H](O)[C@@H]2[C@@]3(C)C[C@@H](c4ccoc4)OC(=O)[C@H]3CC[C@]21C	13648145	KLGGDJQYLQYXCH-OXWGTGQVSA-N	392.448	2.221	0	1	GEAF	
COc1cccnc1-n1ccnc1[S@@](=O)Cc1ccccc1N1CCOCC1	13746308	XVTUCURXKWATAK-MUUNZHRXSA-N	398.488	2.420	0	1	GEAF	
CC(C)c1ccc(C[C@H](C[P@](=O)(O)[C@@H](C)N)C(=O)N[C@@H](C)C(=O)O)cc1	13807173	CUZVLZFRSCFAGJ-HEHGZKQESA-N	384.413	2.133	0	1	GEAF	
C[C@H](N[C@H](CCc1ccccc1)C(=O)O)C(=O)N1Cc2ccccc2[C@@H]1C(=O)O	29566090	CUKQMSYVQGXHKG-GDIGMMSISA-N	396.443	2.219	0	1	GEAF	
COc1c(O)cc2c(c1O)C(=O)O[C@H](C)[C@H]2c1c(O)cc(O)cc1CC(C)=O	31165334	WWRKPZJOLNCLEL-RFAUZJTJSA-N	388.372	2.340	0	1	GEAF	biogenic
CC(C)c1cn(CC[C@@H]2CC[C@H](NC(=O)c3cccc(F)c3)[C@@H](CO)O2)nn1	95675296	QKYXERGZTDIPLJ-JENIJYKNSA-N	390.459	2.269	0	1	GEAF	
CC(=O)O[C@@H]1C=CC(C)(C)[C@H]2CC[C@@]3(O)[C@@H](O)C4=C(C)C(=O)O[C@@H]4C[C@H]3[C@]12C	143268575	LQBVAPXSEOYEIN-VPBOCMBTSA-N	390.476	2.284	0	1	GEAF	
CC[C@@H](C)C(=O)O[C@@H]1[C@H](OC(C)=O)C=C(C(=O)OC)C[C@H]1OC(=O)[C@H](C)CC	238747815	MUTKUWKXVNNJTE-UNTBTUBKSA-N	398.452	2.337	0	1	GEAF	
CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@H](C(=O)OC)[C@H](C(=O)OC)C1	587478459	JVTYRDYAJPTGAW-VTEUUUEMSA-N	376.405	2.421	0	1	GEAF	
COC1(C)CN(c2cc(-c3cnc(N)c(OC(F)F)c3)nc(N3CCC3)n2)C1	653769228	PCNKOXPPXIMVBU-UHFFFAOYSA-N	392.410	2.157	0	1	GEAF	
CC(C)(C)c1ccc2c(c1)C(=O)N(CCc1ccc(S(N)(=O)=O)cc1)C2=O	1772617764	KHDDWTQSLGVKIK-UHFFFAOYSA-N	386.473	2.470	0	1	GEAF	
Cn1ccnc1CNC(=O)c1csc(CCNCc2nc3ccccc3[nH]2)n1	1857586606	GSAFLXNTSBLDKH-UHFFFAOYSA-N	395.492	2.015	0	1	GEAF	
CN1CCN(c2ncc3nc(-c4cc(F)cc(F)c4)c(=O)n(C4CC4)c3n2)CC1	4238919	WLDWZZKJBZQKFJ-UHFFFAOYSA-N	398.417	2.218	0	1	GEAF	
CN1C(C(=O)Nc2ccccn2)=C(O)c2c(c3ccccc3n2C)S1(=O)=O	13605471	VHYUYDBORRZQLE-UHFFFAOYSA-N	384.417	2.073	0	1	GEAF	
CN(C)CCNC(=O)NC1CN(c2ncnc3cc(-c4ccccc4)sc23)C1	45230906	KAYWEXUDYIGLRU-UHFFFAOYSA-N	396.520	2.408	0	1	GEAF	
COC[C@H](Cc1ccccc1)Nc1nc(N2CCC[C@H](C(N)=O)C2)ncc1C	82204349	MBXBBJZQENZTCT-ROUUACIJSA-N	383.496	2.156	0	1	GEAF	
COc1ccc(Nc2ncc(CN3CCC3)cc2-c2nc(C)nc(N)n2)cn1	95556032	LOXQLWVHDSHBPP-UHFFFAOYSA-N	378.440	2.177	0	1	GEAF	
O=C(O)c1cn(-c2ccc(O)cc2)c2cc(N3C[C@@H]4C[C@@H]3CN4)c(F)cc2c1=O	101013007	TWVMCOXIQXVLHX-WCQYABFASA-N	395.390	2.084	0	1	GEAF	
CNC(=O)C1=C(C)NC(Nc2nc3ccccc3o2)=N[C@H]1c1[nH]ncc1Cl	139370041	FHTPSZPTMOZKQQ-CQSZACIVSA-N	385.815	2.337	0	1	GEAF	
CC(=O)Oc1ccccc1C(=O)O[C@@]12[C@H]3[C@H]4[C@@H]5C[C@@H]6[C@H]4[C@@H]3[C@@]3(OCCCN13)[C@H]6[C@H]52	169298992	WHDRGMZULYIHPP-PFJXHKOPSA-N	393.439	2.285	0	1	GEAF	
C/C=C(/C)C(=O)O[C@@H]1CC[C@H](C)[C@@]2(C)[C@H](O)C3=C(C)C(=O)O[C@]3(OC)C[C@]12O	238761748	CDXRTRKAWMYIAC-JPFHDFOHSA-N	394.464	2.012	0	1	GEAF	
Cc1ccnc(Nc2cc3ncn(C)c(=O)c3c(N[C@H]3CC[C@@H](O)CC3)n2)c1	261161860	QZDUDLNQUCZROA-OKILXGFUSA-N	380.452	2.491	0	1	GEAF	
CCOC(=O)[C@@H]1CCNC(=O)[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12	587799812	YVMQCPFGBIQERJ-NSTVUXKKSA-N	399.260	2.017	0	1	GEAF	
COC(=O)[C@@H]1C(C)(C)CC(=O)C[C@]12N[C@@H](C(=O)O)Cc1c2cnc2ccccc12	963219022	CLISDJAYXDCIGB-JBYIUTFZSA-N	396.443	2.207	0	1	GEAF	
CC=C1CN2CC[C@H]1[C@@](COC(C)=O)(C(=O)CO)c1[nH]c3ccccc3c1C2	2356506294	IMJLLIQUNOUJSH-GCJKJVERSA-N	382.460	2.312	0	1	GEAF	
C[C@@H]1NCCN(c2c(F)c(N)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)[C@@H]1C	29397247	GVWFNDMVIJBZIX-DTWKUNHWSA-N	392.406	2.082	0	1	GEAF	
CN(C)CCCNc1c(N)cc2c3c(cccc13)C(=O)N(CCCN(C)C)C2=O	40952177	WMZQWVVVXICYRR-UHFFFAOYSA-N	397.523	2.333	0	1	GEAF	
Cc1cc(N2CCOCC2)ccc1Nc1nc(N2CCOCC2)c2nc[nH]c2n1	84653803	JBSHFVOZHVPMTQ-UHFFFAOYSA-N	395.467	2.078	0	1	GEAF	
CCC(=O)N1[C@H](CO)[C@H]2c3ccccc3N(C(=O)c3cccc(OC)c3)C[C@H]21	95893728	ZJRRQMKFLFNQOL-SBHAEUEKSA-N	380.444	2.421	0	1	GEAF	
COc1cccc([C@@H]2[C@@H](C(=O)c3ccc(C)o3)C(=O)C(=O)N2CCCN(C)C)c1	110754957	SURLSKDZECACTH-RBUKOAKNSA-N	398.459	2.500	0	1	GEAF	
O=C(c1ccccc1-n1nccn1)N1C[C@@H]2CN(c3ccc(F)cn3)C[C@@H]2C1	116823635	UFFDSQBFCLOOFA-GASCZTMLSA-N	378.411	2.010	0	1	GEAF	
O[C@@H]1CS[C@@H](n2cnc3c(NCc4cccc(Cl)c4)ncnc32)[C@H]1O	202795135	CKXSTCOOOXXOLA-PVXIVEMSSA-N	377.857	2.059	0	1	GEAF	
CN(Cc1ccc(F)cc1)C(=O)n1cnc(S(=O)(=O)[C@@H]2C[C@H]3CC[C@@H]2C3)n1	473089060	KECKRVFNQZKMDX-SQWLQELKSA-N	392.456	2.480	0	1	GEAF	
NS(=O)(=O)c1ccc(CCc2nc3ccc(Br)c(O)c3[nH]2)cc1	586930011	LHQKRDHPZKAMJP-UHFFFAOYSA-N	396.266	2.464	0	1	GEAF	
O=C(O)c1nn(Cc2nc3ccc(F)cc3[nH]2)cc1I	587185957	QQROSZPEUPMMHF-UHFFFAOYSA-N	386.124	2.250	0	1	GEAF	
Cc1noc(-c2ccc3nc(Nc4cc(CN5CCNCC5)ccn4)[nH]c3c2)n1	1857611785	FQLDODIEEKFQOP-UHFFFAOYSA-N	390.451	2.465	0	1	GEAF	
Cc1cc2ncn(CCn3cnc4c(N5CCOCC5)ncnc43)c2cc1C	1857756195	PWRSPJJPZCHSCB-UHFFFAOYSA-N	377.452	2.330	0	1	GEAF	
CCC(=O)N1Cc2c[nH]c3c(=O)n(C)cc(c23)-c2cc(CS(C)(=O)=O)ccc21	1857761260	FGAVOAHYTZAMJG-UHFFFAOYSA-N	399.472	2.335	0	1	GEAF	
CN(C)CCCN1CC(=O)N2CCc3ccc(Br)cc3[C@@H]2CC1=O	199736391	UHFXMXLLUVERNW-INIZCTEOSA-N	394.313	2.059	0	3	GEAF	
CC1(C)c2[nH]c3ccccc3c2C[C@@H]2C(=O)N(CCCn3ccnc3)CC(=O)N21	6564385	UFAMEKXKYBHDBA-GOSISDBHSA-N	391.475	2.285	0	1	GEAF	biogenic
CCOc1cc(-n2cc(NC(N)=O)c(C(N)=O)n2)ccc1-c1ccc(O)c(F)c1	29056795	XMRUQTFGZYEAPD-UHFFFAOYSA-N	399.382	2.372	0	1	GEAF	
CCS(=O)(=O)NC1CCN([C@@H](c2cnccn2)c2ccc(F)cc2F)CC1	72101850	WBDKFVSPHNULCE-GOSISDBHSA-N	396.463	2.248	0	1	GEAF	
O=C(C(=O)N1CCN(C(=O)c2ccccc2)CC1)c1c[nH]c2c(Cl)ccnc12	95596695	NQQHWFANZVVFDO-UHFFFAOYSA-N	396.834	2.384	0	1	GEAF	
O=C(CC1CC1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(-c3cccnc3)cc1)[C@@H]2CO	95869594	DGHPVEHYJCHVCF-ZRCGQRJVSA-N	391.471	2.046	0	1	GEAF	
CN(CCNC(=O)Cn1ncc2c3ccccc3nc-2c1O)Cc1ccccc1	103536277	AVJGQJHHZFWVRC-UHFFFAOYSA-N	389.459	2.490	0	1	GEAF	
COC(=O)c1cccc2c1CCN1C(=O)CN=C(n3cnc(C4CC4)c3)C=C21	149242441	PFKWBHOBGFIHNI-UHFFFAOYSA-N	376.416	2.233	0	1	GEAF	
CNC(=O)[C@@H](CCCCCCNC(=O)c1cc(-c2cccc(N)c2)on1)N=O	169724751	HFTBQKCVLFDPKD-OAHLLOKOSA-N	387.440	2.485	0	1	GEAF	
C[C@@H](Oc1cccc2cccnc12)C(=O)NC[C@@H](O)CN1Cc2ccccc2C1	217086203	MFLPZXZETDMETA-OXQOHEQNSA-N	391.471	2.495	0	1	GEAF	
O=C(O)c1ccnc(-c2cn([C@@H]3CCN(C(=O)CCc4ccccc4)C3)nn2)c1	473134070	BMDGMELYSLPYAP-QGZVFWFLSA-N	391.431	2.445	0	1	GEAF	
O=C(Nc1ccccc1)Nc1nc(Cc2nc3c(O)nc(O)nc3[nH]2)cs1	587018893	BYTPUMXAUZYOKN-UHFFFAOYSA-N	383.393	2.455	0	1	GEAF	
O=C(N[C@@H](Cc1nc2cc3c(cc2[nH]1)OCO3)C(=O)O)OCc1ccccc1	587203124	OBKXKMFCJOMCPA-AWEZNQCLSA-N	383.360	2.214	0	1	GEAF	
CCN1C(=O)[C@H]2CCCN2C(=O)c2sc(=NCc3ccc(OC)cc3)[nH]c21	1857611696	RCRFSVLNQMWNGG-CQSZACIVSA-N	386.477	2.157	0	1	GEAF	
CCC(CC)C(=O)N1CC[C@](C)(O)[C@H](NC(=O)COC)[C@@H]1c1cccs1	2356289181	QZZRWWWDCYRTRP-SCTDSRPQSA-N	382.526	2.340	0	1	GEAF	
c1c[nH]c(CNC[C@@H]2Cn3cc(-c4ccc5c(c4)OCCCO5)nc3CO2)n1	2356524373	BJDWNVMJVHIZFC-OAHLLOKOSA-N	381.436	2.123	0	1	GEAF	
COc1cc2c(cc1OC)[C@H](O)[C@H]1COC(=O)[C@H]1[C@H]2c1ccc2c(c1)OCO2	2356553752	DUQMFJLPYJQVDV-JZOCTASASA-N	384.384	2.401	0	1	GEAF	
CC[C@@H]1OC(=O)[C@H](C)C(=O)[C@@]2(O)CO[C@@](OC)(C[C@@H](C)CC(C)=C[C@]1(C)O)C2	2356644513	JLVZVGQWWZKQQV-VIMRIIAXSA-N	398.496	2.135	0	1	GEAF	
COc1ccccc1CNS(=O)(=O)c1c(C)[nH]c(C)c1C(=O)N1CCCC1	9684213	CFPDXEKJKZLBDF-UHFFFAOYSA-N	391.493	2.355	0	3	GEAF	
CCCn1c(=O)ccc2cc(F)c(-n3c(=O)cc(C(F)(F)F)n(C)c3=O)cc21	43123627	GMMPCNBWLUJCSJ-UHFFFAOYSA-N	397.328	2.419	0	1	GEAF	
CC(=O)N1CCN(c2ncc(C(=O)N(C)CC(C)C)c(-c3ccco3)n2)CC1	82141924	MMIQETJPIWKDPQ-UHFFFAOYSA-N	385.468	2.133	0	1	GEAF	
[C-]#[N+]c1ccc([C@@H]2CN(c3nc(-c4ncncc4F)cc(=O)n3C)CCN2)cc1	146170587	KTZPDNBOHASFOR-KRWDZBQOSA-N	391.410	2.078	0	1	GEAF	
CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3nc(N)nc(Cl)c3[nH]2)cc1	586934988	FIKZLLYKLYOWBZ-MRVPVSSYSA-N	380.861	2.332	0	1	GEAF	
Cc1nc2cccc3c2c(c1CCCN1C(=O)[C@H]2[C@@H](N=CN2C)N(C)C1=O)CC3	587212061	KNEXTLTZSGVNMO-UXHICEINSA-N	391.475	2.137	0	1	GEAF	
COc1cc2c3c(c1)O[C@]1(C[C@H]4CC[C@]1(CS(N)(=O)=O)C4(C)C)[C@@H](C2)C3=O	587447508	ATSAEDMETCCPIV-QTRFMYMGSA-N	391.489	2.296	0	1	GEAF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@@H]3[C@H](C(=O)O)NC[C@@H]32)N1	587799486	XJLLHPIFWOALIK-JDJRJKGHSA-N	383.261	2.400	0	1	GEAF	
Nc1n[nH]cc1[C@]1(c2cccs2)N[C@H](C(=O)O)Cc2c1cnc1ccccc21	963231895	RWBBQIOQBWMZSH-OXJNMPFZSA-N	391.456	2.492	0	1	GEAF	
CCn1ncc2cc3nc(c21)C[C@H](O)COC[C@H](c1ccccc1)NC(=O)N3	1772592824	UTWGDHYJGPNNID-DOTOQJQBSA-N	381.436	2.248	0	1	GEAF	
COC[C@H](C)n1c(-c2cn3c(C)nnc3c(NC(C)C)n2)nc2cnc(N)cc21	1772612675	PPJWDLHZXJGLDJ-NSHDSACASA-N	395.471	2.454	0	1	GEAF	
CO[C@H]1CCN(C(=O)C2CCN(c3cnccc3-n3cc(Cl)cn3)CC2)C1	1857604866	COQQETTVFNFCAV-INIZCTEOSA-N	389.887	2.384	0	1	GEAF	
COc1cc2c(cc1OC)[C@]13CCN4CC(=CCO)[C@@H](C[C@H]41)[C@@H]1CCC(=O)N2[C@@H]13	2356353354	MTGBFCBIKBUQGV-GOUXXLKZSA-N	396.487	2.093	0	1	GEAF	
C[C@@H]1CN(C=O)[C@@H]2[C@@H]1CC[C@]1(CO)C(=O)CC[C@@H]3CCC=C3[C@@]21CCC(=O)O	2356690258	QRJZOBVZBAQMAH-FSDMAKNHSA-N	389.492	2.402	0	1	GEAF	
CC(C)N1CCC[C@H](O)[C@H](NC(=O)c2ccc(OCCN3CCCC3)cc2)C1	2356855869	RUBDWBRZXAZGPG-RTWAWAEBSA-N	389.540	2.125	0	1	GEAF	
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCC[C@]4(CCCNC4)C3)nc21	26378059	FXVROOJGHSETMV-FQEVSTJZSA-N	388.443	2.224	0	1	GEAF	
COc1cc(NC(=O)c2cccc(NC3=NCCCN3)c2)ccc1OCC(=O)O	29249044	PMZAMOSBWUCNBG-UHFFFAOYSA-N	398.419	2.172	0	1	GEAF	
CC(C)[C@@H](NC(=O)c1csc(Nc2ccccc2)n1)C(=O)N1CCNCC1	82082466	IZMRMZOILOOAJS-MRXNPFEDSA-N	387.509	2.073	0	1	GEAF	
COC(=O)C[C@@H]1CC[C@H](NC(=O)Nc2ccc(C(F)(F)F)cc2)[C@H](CO)O1	95675888	HFDKIVHAHGCNSH-IHRRRGAJSA-N	390.358	2.299	0	1	GEAF	
NS(=O)(=O)c1cnccc1N1CCN(c2ccc(Cl)c(Cl)c2)CC1	96932818	KERVCQQPIQCZTE-UHFFFAOYSA-N	387.292	2.362	0	1	GEAF	
Cn1c(N2CCN[C@@H](c3cccc(Cl)c3)C2)nc(-c2ccncn2)cc1=O	116775909	BFNRSTMWRVWTKZ-QGZVFWFLSA-N	382.855	2.042	0	1	GEAF	
Cc1cccc2c(=O)[nH]c(-c3cnc(N4CCN(C(=O)C5CC5)CC4)nc3)cc12	147362704	QUSZOYLWBHWZLQ-UHFFFAOYSA-N	389.459	2.352	0	1	GEAF	
CC(C)S(=O)(=O)Nc1ccc(-c2nc3cc(S(N)(=O)=O)ccc3[nH]2)cc1	586950752	LBRKRYFVXGDAHV-UHFFFAOYSA-N	394.478	2.027	0	1	GEAF	
CC[C@@H](CO)N(C(C)=O)c1ccc2ncc(-c3cccc(NC(C)=O)c3)n2n1	1772630392	YELPLVUUDHOICI-KRWDZBQOSA-N	381.436	2.479	0	1	GEAF	
O=C(Nc1ncnc2[nH]cnc12)c1ccccc1-c1ccc(-c2nn[nH]n2)cc1	1857581946	STJLYOWMCBFMMQ-UHFFFAOYSA-N	383.375	2.452	0	1	GEAF	
CC(C)(C)OC(=O)n1cc(C[C@H]2NC(=O)[C@H]3CCCN3C2=O)c2ccccc21	2356430657	YMBWWWKPLURITN-NVXWUHKLSA-N	383.448	2.456	0	1	GEAF	
COCCc1ccc(OC[C@H](O)CN[C@@H](C)[C@@H](O)c2ccc(O)cc2)cc1	28469545	KVDVMDRYKYWOAE-NYSBEXSLSA-N	375.465	2.033	0	1	GEAF	
Cc1nnc(C(=O)[C@@H]2CSCN2C(=O)CNC23CC4CC(CC(C4)C2)C3)o1	28823371	LQUNZWSJQHKNBW-ZBUUCQELSA-N	390.509	2.021	0	1	GEAF	
O=C(N[C@H](Cc1ccccc1)C(=O)O)c1coc(-c2ccc3c(c2)OCO3)n1	82075247	DZUIWFBBGUXHQM-CQSZACIVSA-N	380.356	2.496	0	1	GEAF	
COc1ccc(CNc2c3n(c(=O)n(Cc4ccc(F)cc4)c2=O)CCN3)cc1	82204557	IVYOZBLFZZUNLR-UHFFFAOYSA-N	396.422	2.244	0	1	GEAF	
CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)O)O[C@H]1CO2	95888589	AQKQROKSGQSFNM-KMFMINBZSA-N	390.436	2.281	0	1	GEAF	
CN1C[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@]12C(=O)Nc1ccc(Cl)cc12	102897108	LUNLEWAMTYKVKX-GQWAEJPESA-N	399.809	2.378	0	1	GEAF	
Cc1nc([C@H]2CCOC2)c2c(N3CCc4nc(C5CC5)ncc4C3)ncnn12	169711688	QZVOVBHDQSPRAH-AWEZNQCLSA-N	377.452	2.167	0	1	GEAF	
O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2nc([C@H](O)[C@H](O)CO)[nH]c12	586889336	KPTKLIGCPLBLRS-UKRRQHHQSA-N	395.337	2.221	0	1	GEAF	
CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cc(N)ncc2[nH]1	586938035	UFMFQBTWKQFEJC-LBPRGKRZSA-N	377.495	2.313	0	1	GEAF	
CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1	587204648	QTXDRLNFBMBMHZ-LURJTMIESA-N	392.769	2.056	0	1	GEAF	
CN(C)S(=O)(=O)c1cccc2nc(-c3cccc(-c4cnc(N)nc4)c3)[nH]c12	587253449	AFNNIYBDIKFPCU-UHFFFAOYSA-N	394.460	2.519	0	1	GEAF	
COc1cc2c3c(c1)O[C@@](C(=O)O)(c1ccc4c(c1)CCC(=O)N4)[C@@H](C2)C3=O	587438687	HIBCCDZALVBVLD-QKKBWIMNSA-N	379.368	2.307	0	1	GEAF	
COC(=O)Cn1cc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)nn1	587755888	BHGQMYXFAPFJOU-XXFAHNHDSA-N	397.248	2.150	0	1	GEAF	
COC(=O)c1cccc2c1NC(=O)[C@]21NCCc2cnc3c(OC)cccc3c21	963048886	ULQXPWHBQYLDKA-QFIPXVFZSA-N	389.411	2.371	0	1	GEAF	
Cc1cc(Nc2nc(C(=O)N3CCN[C@@H](C)C3)nc3ccc(Cl)cc23)n[nH]1	1772629234	WQTMYTFWTYPJST-NSHDSACASA-N	385.859	2.492	0	1	GEAF	
OC[C@H]1[C@H](Cc2ccnc(C3CC3)n2)[C@H](NCc2ccc(F)c(F)c2)C[C@H]1O	2356478391	CEBZWGVYNHFRPH-XAMWDVODSA-N	389.446	2.322	0	1	GEAF	
COc1cc([C@@H]2c3cc(O)c(OC)c(OC)c3C[C@@H](CO)[C@@H]2CO)ccc1O	2356504368	OBUSAZWHMNFNLX-VRHCTWJESA-N	390.432	2.029	0	1	GEAF	
CCN(CCNS(=O)(=O)c1ccc2[nH]c(=O)sc2c1)c1ccccc1	4766132	SHPOKFDHXURECZ-UHFFFAOYSA-N	377.491	2.394	0	3	GEAF	
CC1CCN(C(=O)[C@@H](NS(=O)(=O)c2cccc3nsnc23)C(C)C)CC1	5067965	ZPBSUEQUSCCZMI-HNNXBMFYSA-N	396.538	2.253	0	3	GEAF	
O=C1CSc2ccc(S(=O)(=O)CCC(=O)NC3CCCCC3)cc2N1	6893420	SLANQXMDFYUUOM-UHFFFAOYSA-N	382.507	2.344	0	3	GEAF	
N=C(N)c1ccc([C@H]2[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3[C@@H]3CCCN32)cc1	839187	QKVYJJDWLBNNSF-MUGJNUQGSA-N	388.471	2.291	0	1	GEAF	
O=C(NC1CCCCC1)[C@H]1CCCN(S(=O)(=O)c2cccc3nonc23)C1	2469243	OARUZXDNZSVZKT-ZDUSSCGKSA-N	392.481	2.072	0	1	GEAF	
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CC[C@H]([C@@H](C)NC)C3)c(OC)c21	28002083	ZVNHDSDGQFFAIC-NEPJUHHUSA-N	391.443	2.302	0	1	GEAF	
COC[C@H]1CCCN1C1=C(C(=O)OC)[C@@]2(C(=O)OC)Sc3ccccc3[C@@H]12	34819619	UNAMQNCWXYHUFL-RAJNIJHNSA-N	389.473	2.339	0	1	GEAF	
CS(=O)(=O)c1ccc(O[C@H]2c3cc(F)ccc3C[C@@H]2N2CCNCC2)cc1	118256654	JIWFAJCOOGBTGE-PMACEKPBSA-N	390.480	2.179	0	1	GEAF	
CN1C[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@@]12C(=O)Nc1ccc(Cl)cc12	169356703	LUNLEWAMTYKVKX-AUJRIZCKSA-N	399.809	2.378	0	1	GEAF	
CCS(=O)(=O)c1cccc(Cc2nc3nc(Br)c[nH]c-3n2)c1	586922593	PZTAFXZIXNDWHT-UHFFFAOYSA-N	381.255	2.451	0	1	GEAF	
O=C(O)CSc1nccc(-c2cccc(S(=O)(=O)N3CCCC3)c2)n1	957921605	YWCMOEICCAHTQG-UHFFFAOYSA-N	379.463	2.105	0	1	GEAF	
O=C1NCCn2c(C3CCN(C(=O)c4ccccc4)CC3)nc3cncc1c32	1857614082	NAMYMUZIXBSMOZ-UHFFFAOYSA-N	375.432	2.195	0	1	GEAF	
Cc1ccccc1S(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccc(C(=O)O)cc1	1857744397	LADGFUSZSPBHGW-INIZCTEOSA-N	388.445	2.485	0	1	GEAF	
c1csc(CNC[C@@H]2Cn3c(-c4ccc5c(c4)OCCO5)cnc3CO2)n1	2356741921	CUDMQVVZKRGUQN-CQSZACIVSA-N	384.461	2.466	0	1	GEAF	
COCCn1nnnc1[C@@H](c1ccc(O)c(OC)c1)N1CCc2ccccc2C1	19593921	WZLUAEIXQLABNE-HXUWFJFHSA-N	395.463	2.181	0	3	GEAF	
CC[C@]12C=CCN3CCc4c(n(c5cc(OC)c(O)cc45)[C@](O)(C(=O)OC)C1)[C@H]32	14829346	UWXGHIWLXTUDQM-ILWGZMRPSA-N	398.459	2.443	0	1	GEAF	biogenic
O=C(NCc1ccccc1Cl)[C@@H]1CCCN(S(=O)(=O)N2CCCCC2)C1	20511748	UPSOOBMILONBER-MRXNPFEDSA-N	399.944	2.399	0	1	GEAF	
Nn1c(S)nnc1-c1ccccc1Nc1ccc(-c2n[nH]c(=S)n2N)cc1	64532274	WPIOWAHTYKKARX-UHFFFAOYSA-N	397.493	2.326	0	1	GEAF	
CCOC(=O)CCc1nc2nc(N3CCc4ccccc4C3)ccc2[nH]c1=O	82231681	KEEXAAXXQVVBHR-UHFFFAOYSA-N	378.432	2.377	0	1	GEAF	
O=C(N[C@H]1CCCNC1)c1cc2n[nH]c(=O)n2c2cc(-c3ccsc3)ccc12	84614620	BYFPSTGHLZSFLJ-AWEZNQCLSA-N	393.472	2.386	0	1	GEAF	
CN1CCN(C[C@H](O)COc2ccn(-c3ccc(Cl)c(Cl)c3)n2)CC1	95556250	MEPYQUAPJWBMJH-AWEZNQCLSA-N	385.295	2.166	0	1	GEAF	
Cc1cc(Cc2cccc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)c2cccccc1-2	96271999	RGUZWHGCTAFVDA-SJSRKZJXSA-N	394.467	2.206	0	1	GEAF	
CN(C)c1ncc(C(N)=O)c(Nc2ccc(CC(=O)NCC(C)(C)C)cc2)n1	96938250	XTPXDKGSBIGQPN-UHFFFAOYSA-N	384.484	2.090	0	1	GEAF	
N#CC1CN(C(=O)c2ccc(-c3cccc4nc(NC(=O)C5CC5)nn34)cc2)C1	118406853	ZJIPUHBJFPJUGH-UHFFFAOYSA-N	386.415	2.340	0	1	GEAF	
Cc1ccnc([C@H]2CCN(C(=O)OC3[C@H]4CC5C[C@H]3CC(C(N)=O)(C5)C4)C2)n1	1772646714	ZKMLSDHXGKDJIN-HKXKBOTHSA-N	384.480	2.391	0	1	GEAF	
Cc1cnc(CN(C)C[C@H]2Cc3c(cccc3N3CCNCC3)CN2)c(C)c1	1857635658	GRVWFKIPLRTIDL-HXUWFJFHSA-N	379.552	2.254	0	1	GEAF	
C[C@@]1(CO)CN(Cc2ccccc2)C[C@H]2CN(C(=O)C3CCCCC3)CCN21	2356303606	ZOUROXXITOTHRM-GMAHTHKFSA-N	385.552	2.346	0	1	GEAF	
COc1cccc2nc(C[C@@H]3CN(Cc4cnc[nH]4)CC[C@@H]3CC(=O)O)[nH]c12	2356720464	AVFCMUDTPUXTHM-ZIAGYGMSSA-N	383.452	2.450	0	1	GEAF	
COCCN1C(=O)[C@H]2C[C@@H](CN2C(=O)COc2ccccc2)Oc2ccccc21	2356766527	MIXONYLKEDVRLT-PKOBYXMFSA-N	396.443	2.107	0	1	GEAF	
COc1cccc(C(=O)Cn2c(=O)n(C[C@H]3CCCO3)c(=O)c3ccccc32)c1	4110862	DCTWBXJIARAHSG-QGZVFWFLSA-N	394.427	2.234	0	3	GEAF	
CCOC(=O)c1ccc(NC(=O)NC2C[C@@H]3CC[C@H](C2)N3C(=S)NC)cc1	12644081	JQLNBABADYLQQB-MQVJKMGUSA-N	390.509	2.485	0	3	GEAF	
CCCCn1nnnc1[C@]1(C)CCC(=O)N1c1ccc(N2CCOCC2)cc1	199214436	QASLLLIXIYNZQY-FQEVSTJZSA-N	384.484	2.352	0	3	GEAF	
COc1ccc2[nH]c3c(c2c1)CCN1C(=O)CN(Cc2ccco2)C(=O)[C@@]31C	2111273	WOPRZKBMEYKJTR-OAQYLSRUSA-N	379.416	2.412	0	1	GEAF	biogenic
Nc1c(-c2nc(-c3ccccc3)no2)nnn1CC(=O)Nc1cccc(F)c1	6939145	WDDAHNAZOLCNPU-UHFFFAOYSA-N	379.355	2.355	0	1	GEAF	
COc1cccc2c1C(=O)c1ccc3c(c1C2=O)C(=O)[C@H](O)[C@@H](C)[C@H]3OC(C)=O	14688669	DXRKISDBIVBBFG-CMOFJVGTSA-N	394.379	2.268	0	1	GEAF	biogenic
CNC(=O)c1cc([C@@H](O)CN[C@@H](C)CCc2ccc3c(c2)OCO3)ccc1O	26989166	ZUISJROWNZWYHH-UGSOOPFHSA-N	386.448	2.125	0	1	GEAF	
CCN(C)c1ncc(C(=O)N2CCN(C(C)=O)CC2)c(-c2cccc(C)c2)n1	82146820	DTDAHDHAJIZUMG-UHFFFAOYSA-N	381.480	2.212	0	1	GEAF	
C[C@H]1CNc2c(NCc3cccc(O)c3)c(=O)n(Cc3ccsc3)c(=O)n21	82211002	RXBFUMQIGBLATL-LBPRGKRZSA-N	384.461	2.424	0	1	GEAF	
COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)C1CCCC1)CC31CN(C)C1	95666525	RIXZNODXKAJYFB-IBGZPJMESA-N	397.519	2.436	0	1	GEAF	
CC(C)(Oc1ccccc1)C(=O)N[C@H]1[C@H]2CC3C[C@@H]1C[C@](S(N)(=O)=O)(C3)C2	101102458	RJFGXRMIXRFUOJ-ACCPSQPCSA-N	392.521	2.196	0	1	GEAF	
Cn1c(=O)ccn(Cc2ccccc2OCC(=O)Nc2ccccc2Cl)c1=O	299857651	OITGUMJRGHZYTK-UHFFFAOYSA-N	399.834	2.266	0	1	GEAF	
CCS(=O)(=O)c1ccc2nc([C@H](C)Sc3nc(N)cc(O)n3)[nH]c2c1	586963210	YCHMSNIPXPMITB-QMMMGPOBSA-N	379.467	2.288	0	1	GEAF	
O=C1CSC[C@H](c2nc3c(Br)cnc(Br)c3[nH]2)N1	587043811	NIFVCUVWXANDSJ-RXMQYKEDSA-N	392.076	2.387	0	1	GEAF	
O=C(Cc1ccc2c(O)nc(O)nc2n1)Nc1cccc(Br)c1	587366295	MGWWGYLPBFHESF-UHFFFAOYSA-N	375.182	2.380	0	1	GEAF	
C[C@H]1Cc2ccc(F)c(Br)c2C2(CCC3(CC2)NC(=O)NC3=O)N1	587799823	YWONOGIGJSORFW-VGXVPSNOSA-N	396.260	2.470	0	1	GEAF	
Cc1ccnc2c1CCN[C@]2(c1c[nH]c(C(=O)NCCCN(C)C)c1)C1CC1	963074696	XSTVLLDJESCFAM-QFIPXVFZSA-N	381.524	2.199	0	1	GEAF	
Cc1cccc(OCC2(CNCc3sc(C)nc3C)C[C@@H](O)[C@H](O)C2)n1	2356301577	MLZOKRWHRPCJLX-HZPDHXFCSA-N	377.510	2.134	0	1	GEAF	
Nc1ncc(C=CCNC(=O)c2cc(Br)c(Br)[nH]2)[nH]1	28536114	QKJAXHBFQSBDAR-UHFFFAOYSA-N	389.051	2.288	0	1	GEAF	biogenic
CC[C@@]1(O)CC(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2C=O	29126978	TZVGQMPCPAHRBD-JOCHJYFZSA-N	390.395	2.282	0	1	GEAF	
Cn1cc(-c2cnn3c(N)c(Br)c(CC4CCNCC4)nc23)cn1	66111828	XGHLVURXUCRLJP-UHFFFAOYSA-N	390.289	2.017	0	1	GEAF	
C[C@H](NC(=O)c1csc(-c2ccc(Cl)cc2)n1)C(=O)N1CCNCC1	82083302	ZTHSEHIXSAVEKJ-NSHDSACASA-N	378.885	2.014	0	1	GEAF	
CC(=O)Nc1c2n(c(=O)n(Cc3ccsc3)c1=O)[C@H](c1ccccc1)CN2	82224496	WEEQSUWQOQHHMB-HNNXBMFYSA-N	382.445	2.093	0	1	GEAF	
CNC[C@@H]1Oc2cc(C3=CCCC3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C	95733367	DIFJFYXOESTABI-VCBZYWHSSA-N	394.537	2.242	0	1	GEAF	
COc1cc(-c2ccc3c(n2)CN(c2cnn(CC#N)c2)C3=O)cnc1OC	114211664	GJYZEKGSGNPMLK-UHFFFAOYSA-N	376.376	2.041	0	1	GEAF	
CCOC(=O)/C=C(\C)C(=O)O[C@H]1C[C@H]2[C@@H](OC(=O)C=C(C)C)C[C@@H](C1)N2C	238752219	LTHNNGQCWYQQLA-PBMXCAIQSA-N	379.453	2.152	0	1	GEAF	
CC(C)(C)OC(=O)Nc1nnc(Cc2nc3ccc([C@H](N)N=O)cc3[nH]2)s1	587024190	POARPTMYZORZIQ-CYBMUJFWSA-N	389.441	3.076	0	1	GEAF	
Cc1nc2cccc3c2c(c1CCCN1C(=O)[C@@H]2[C@H](N=CN2C)N(C)C1=O)CC3	587212062	KNEXTLTZSGVNMO-VQTJNVASSA-N	391.475	2.137	0	1	GEAF	
COC(=O)[C@@H]1CNCC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1	587349041	SWPZVQILKACCKI-DJPFJPOOSA-N	385.391	2.412	0	1	GEAF	
CCOC(=O)[C@H]1C[C@]2(C[C@H]1C(=O)OCC)Oc1cc(OC)cc3c1C(=O)[C@H]2C3	587441312	JWEXCTWPQSHYEM-RPNZERQGSA-N	388.416	2.334	0	1	GEAF	
CCOC(=O)C(C[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3)C(=O)OCC	587443108	TXMKCRZLSQKOQO-VLIAUNLRSA-N	376.405	2.334	0	1	GEAF	
O=C(Cc1cc(O)nc(O)n1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O	587660700	RQFFIXGBMBQMHB-UHFFFAOYSA-N	392.346	2.287	0	1	GEAF	
CN(C)C(=O)c1ccc2c(c1)[C@@](CC(=O)c1ccn(C)n1)(C(F)F)NCC2	962923700	JLMPSJSSCAXOHT-IBGZPJMESA-N	376.407	2.001	0	1	GEAF	
CC(C)(O)c1cn(C[C@H]2CC[C@H](c3nnn4cnc5[nH]ccc5c34)CC2)nn1	1772634174	SFLBHGYASBXIBH-JOCQHMNTSA-N	380.456	2.399	0	1	GEAF	
CC[C@]12C=CC(=O)N3CC[C@@]4(C(=C(C(=O)OC)C1)Nc1cc(OC)c(O)cc14)[C@@H]32	2356581558	AMYRFECRZHSHRT-FDFHNCONSA-N	396.443	2.462	0	1	GEAF	
Cc1cccc(-n2[nH]cc3c(=O)nc(SCC(=O)Nc4cc(C)on4)nc2-3)c1	103881775	HULHCOMAUHINDH-UHFFFAOYSA-N	396.432	2.396	0	3	GEAF	
CC[C@H](C)[C@H](OC(=O)[C@@H](N)C(C)C)C(=O)N[C@H](C(=O)OC(C)(C)C)C(C)C	2356332877	KBTKFANUSQUABR-VGWMRTNUSA-N	386.533	2.410	0	1	GEAF	
CC[C@@H]1[C@H](O)[C@@H]2[C@H](C)C(=O)O[C@]23C[C@H]([C@@H]2C[C@H](C)C(=O)O2)N2CCCC[C@H]1[C@H]23	2356435536	FQNFTSJPXXRUHI-IKTGUVMVSA-N	391.508	2.130	0	1	GEAF	
Cn1c(N2CCN[C@H](c3ccccc3Cl)C2)nc(-c2ccncn2)cc1=O	116829406	KVRJKGWDFPCQNH-KRWDZBQOSA-N	382.855	2.042	0	1	GEAF	
CO[C@H]1[C@H](CC(C)C)O[C@@H](OCC(=O)O)[C@@H](OCc2ccccc2)[C@H]1OC	53313191	FKKRIXVGUJIXBK-ONSCTEFMSA-N	382.453	2.474	0	1	GEAF	
C[C@@]1(C(=O)NS(=O)(=O)c2cccc(Cl)c2)CCN1C(=O)c1ccccc1	61907389	KSRJVMLVZUREMU-SFHVURJKSA-N	392.864	2.450	0	3	GEAF	
COc1ccc(C[C@@H]2COC(=O)[C@@H]2[C@@H](O)c2ccc3c(c2)OCO3)cc1OC	2356724838	ARVNAKBKMLHRDP-UAOJZALGSA-N	386.400	2.498	0	1	GEAF	
C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2C[C@@H](O)[C@]2(C)[C@@H](C3=CC(=O)NC3)CC[C@]12O	2356737282	IBMKZSHPOYLMEB-SXDIVCDASA-N	389.536	2.148	0	1	GEAF	
C[C@H](NC(=O)c1csc(-c2ccccc2)n1)C(=O)OCCOCCN(C)C	82070761	BTDRBIONDXJTHL-AWEZNQCLSA-N	391.493	2.050	0	1	GEAF	
COCCc1ccc(OC[C@H](O)CN[C@@H](C)[C@H](O)c2ccc(O)cc2)cc1	253805228	KVDVMDRYKYWOAE-DLVCFXQMSA-N	375.465	2.033	0	1	GEAF	
O=C(NCc1ccccc1F)[C@H]1[C@@H]2C(=O)N(Cc3ccccc3)C[C@@]23C=C[C@H]1O3	263590630	CZTWQOPZMQHHBS-URFJDIBFSA-N	392.430	2.424	0	3	GEAF	
COc1ccc(-c2c(C)nc3c(NCCN4CCOCC4)ccnn23)cc1OC	299856819	CFLABOGUXKYRSK-UHFFFAOYSA-N	397.479	2.466	0	1	GEAF	
O=C(c1nc2cc(C(F)(F)F)cc(-[n+]3cc(=O)o[nH]3)c2s1)N1CCCCC1	653784995	QHDDQRBENZRORW-UHFFFAOYSA-O	399.374	2.499	0	1	GEAF	
NS(=O)(=O)c1c[nH]c(-c2nc3c(F)c(F)c(Br)cc3[nH]2)c1	586930394	RPJOCBAQFDJZDF-UHFFFAOYSA-N	377.170	2.246	0	1	GEAF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cnc(O)n(C)c2=O)N1	587792229	HMMDDNUNDUVQSG-BCTVWOGZSA-N	382.233	2.185	0	1	GEAF	
C[C@]1(CC(=O)NCC(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	587337406	OCFSBRZBFYANHU-UYAOXDASSA-N	387.363	2.240	0	1	GEAF	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H]1CN2CCC[C@@H]2CO1	587870083	VTHSVGSBMIKZQU-OCCSQVGLSA-N	396.369	2.476	0	1	GEAF	
CC(=O)c1ccc2nc(-c3nc(O)nc(O)c3I)[nH]c2c1	587181734	AYGZHUJPHCCETK-UHFFFAOYSA-N	396.144	2.238	0	1	GEAF	
C[C@H]1C[C@H]2CSC(=N)N[C@@]2(c2nc(NC(=O)c3cccnn3)cs2)CO1	1772631741	KQUUSQLBNZEBSG-PUTJDCORSA-N	390.494	2.077	0	1	GEAF	
CN1[C@H]2COC[C@H]1CC(OC(=O)c1cn(-c3cnccn3)c3ccccc13)C2	1772571308	MLAZAWVPFPIKDR-HUUCEWRRSA-N	378.432	2.439	0	1	GEAF	
O=c1c2ccccc2nc2sc(Nc3cccc(N4CCNCC4)c3)nn12	169304278	NQKCKZPJFCEUKN-UHFFFAOYSA-N	378.461	2.457	0	1	GEAF	
COC(=O)C1(n2c(=O)cc(O)n(CCc3cccc(Cl)c3)c2=O)CCCC1	169729807	UIWKNUJNPABYGG-UHFFFAOYSA-N	392.839	2.054	0	1	GEAF	
COc1cc(F)ccc1OC1CN(S(=O)(=O)c2ccc3c(c2)OCO3)C1	1857770289	FLPJDBJOIBTDDY-UHFFFAOYSA-N	381.381	2.015	0	1	GEAF	
CC(C)c1ccc(N2C(=O)[C@@H]3C[C@@H](NC(=O)c4cnccn4)CCN3C2=O)cc1	8295010	SKSCKJSFJYAEOM-YJBOKZPZSA-N	393.447	2.330	0	1	GEAF	biogenic
NCCCCNC(=O)[C@H](CCc1ccccc1)NC(=O)NCc1ccccc1	13490474	ZYEKZRBOJZGNEJ-FQEVSTJZSA-N	382.508	2.342	0	1	GEAF	
COC(=O)C[C@H](c1ccc(OC)c(OC)c1)N1C(=O)c2cccc(N)c2C1=O	13757421	UHHZKWNCNDFRNB-CQSZACIVSA-N	384.388	2.186	0	1	GEAF	
N=C(N)c1ccc(CNC(=O)[C@@H]2CCC[C@H]2C(=O)NCc2ccccc2)cc1	13807979	YIJRRZFKFRHLOW-RTBURBONSA-N	378.476	2.320	0	1	GEAF	
COC(=O)[C@@H](CCSC)NS(=O)(=O)c1ccccc1Br	13830043	CNEZKTCJYWMJJB-SNVBAGLBSA-N	382.301	2.022	0	1	GEAF	
CC[C@@H]1CN(C(=O)c2cccnc2)CC[C@H]1CC(=O)N[C@@H](CO)CC(C)C	25427755	MLGCDOQQOPHUAX-ZIFCJYIRSA-N	375.513	2.483	0	1	GEAF	biogenic
CC(C)Nc1nc(-c2ccc(N3CCNCC3)cc2)cc2ncn(C)c(=O)c12	115624776	TUHUBPQDOCCLEG-UHFFFAOYSA-N	378.480	2.225	0	1	GEAF	
Cn1cc(-c2cc(C(N)=O)nc3cc(CN4CCOCC4(C)C)ccc23)cn1	221616169	YXXXAQTXNKNQOB-UHFFFAOYSA-N	379.464	2.345	0	1	GEAF	
COc1cc(/C=C/CN2C(=O)C=CC2=O)c(C(=O)OC(C)C)c(OC(C)=O)c1	299829726	HXHBSIAMAXVOGO-AATRIKPKSA-N	387.388	2.124	0	1	GEAF	
COc1cc([C@@H]2Oc3cc4ccc(=O)oc4cc3O[C@H]2CO)cc(OC)c1O	535384658	GIQLHVXLWDFBDW-PXNSSMCTSA-N	386.356	2.389	0	1	GEAF	biogenic,in-vitro
COc1ccc(S(=O)(=O)N[C@@H](c2nc3cc(C)c(F)cc3[nH]2)[C@H](C)O)cc1	586937849	OARATWZKNWPNNC-APPDUMDISA-N	393.440	2.419	0	1	GEAF	
N=c1[nH]cc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)nc-2[nH]1	586959873	LMTKJLXRXPCNOK-MAZHCROVSA-N	398.492	2.412	0	1	GEAF	
CCOC(=O)Nc1ccc(C(=O)NCc2nc3c(C(=O)OC)ccnc3[nH]2)cc1	587228560	OAHXKBYLPFWWCC-UHFFFAOYSA-N	397.391	2.243	0	1	GEAF	
COC(=O)C(=O)C[C@]1(c2ccn(C)n2)CC(=O)c2ccc3c(c2O1)CCCC3	587516938	XUIPFVRMLCZNHW-NRFANRHFSA-N	382.416	2.292	0	1	GEAF	
Cc1sc2ncnc(SCC(=O)N3CC(=O)NC(C)(C)C3)c2c1Cl	1911572727	JYAWXYREGCOAIJ-UHFFFAOYSA-N	384.914	2.482	0	1	GEAF	
COC(=O)[C@@H](N)Cc1ccc(Oc2nc(Cl)nc(N3CCCCC3)n2)cc1	1911577091	BEYCMKKZKNBLNT-AWEZNQCLSA-N	391.859	2.350	0	1	GEAF	
CC(C)(C)CN1CC2(C1)CN(C(=O)c1ccccc1F)C[C@H]1COCCN12	2356288650	ILNDUWFVTFEOST-INIZCTEOSA-N	375.488	2.083	0	1	GEAF	
CC(C)(C)CCN[C@@H]1C[C@H](O)[C@H](CO)[C@@H]1Cc1ccnc(-c2cccnc2)n1	2356346360	PSWMFJGSRFRQBZ-NMLBUPMWSA-N	384.524	2.465	0	1	GEAF	
COC(=O)N1c2ccccc2[C@@]23CCN4C(=O)C=C[C@@]45CC[C@@]12[C@@H](C5)C(=O)O3	2356346512	STACHDUHGOCYFP-CXTHYWKRSA-N	380.400	2.105	0	1	GEAF	
C[C@]12CC[C@H](O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@@]12O	2356427098	OIPRFQNNGWFTIU-YDKZWNHWSA-N	388.504	2.495	0	1	GEAF	
CC(C)OCCCNC(=O)CN1C(=O)[C@@H](c2ccccc2)Oc2cccnc21	6796301	TYXFGKQPYJECIA-LJQANCHMSA-N	383.448	2.480	0	1	GEAF	
NCCC[C@@H](N)C(=O)N[C@H](CCc1ccccc1)[C@H](O)c1nc2ccccc2o1	13587010	IQUNHRSAXJCRKQ-POAQFYNOSA-N	396.491	2.045	0	1	GEAF	
Cc1ccc(C[C@@H](N)C(=O)N2CCN(c3ncnc4ccccc34)CC2)cc1	64540982	KQIAVTQYXPWLEL-LJQANCHMSA-N	375.476	2.157	0	1	GEAF	
CCN(CCN(C)C)C(=O)c1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1	167691685	NDQUQWAJUSEJKG-UHFFFAOYSA-N	382.508	2.263	0	1	GEAF	
COc1cccc2c1N1C(=O)C=C3OCC=C4CN(C)CC[C@]25C(=O)C[C@@H]4[C@@H]3[C@H]15	238773515	BWCDHPDWBTWWLO-USDOHBJKSA-N	392.455	2.043	0	1	GEAF	
O=C(c1ccccc1-n1nccn1)N1C[C@H]2C[C@H]1[C@H](Oc1ccc(F)cn1)C2	473086941	IXVDHKPYSUJISB-DOPJRALCSA-N	379.395	2.483	0	1	GEAF	
CN(C(=O)CCS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)C1CCCCC1	7003110	MWZBKRYZUPQCHA-UHFFFAOYSA-N	380.466	2.086	0	3	GEAF	
Nc1nccc(-c2c(-c3ccc(F)cc3)ncn2CCCN2CCOCC2)n1	21289954	JDDSPCRIJZRHBB-UHFFFAOYSA-N	382.443	2.451	0	1	GEAF	
O=C1C(=O)N(Cc2ccc(F)cc2)c2ccc(S(=O)(=O)N3CCCC3)cc21	40864519	XMBJTDKKHXHJMK-UHFFFAOYSA-N	388.420	2.340	0	1	GEAF	
COc1ccc([C@H]2Oc3cc(OC)c(OC)c(OC)c3C(=O)[C@@H]2O)cc1O	40935302	GTTGPTFDDUZJFB-DLBZAZTESA-N	376.361	2.104	0	1	GEAF	
Cn1c(=O)c2c(nc(SCCc3cccc(C(F)(F)F)c3)n2C)n(C)c1=O	95561971	RUHCAPWIMWHPCB-UHFFFAOYSA-N	398.410	2.324	0	1	GEAF	
CC(=O)Nc1cccc2c1O[C@H](CN(C)C(=O)NC(C)C)[C@@H](C)CN(C)C2=O	95661051	ZBHAVGXLHJUKDQ-SUMWQHHRSA-N	390.484	2.164	0	1	GEAF	
O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2CC2CCCCC2)O1)NCC1CC1	95885625	BDMSGZPXHUILRR-MHTWAQMVSA-N	394.556	2.092	0	1	GEAF	
O=S(=O)(NC[C@H]1[C@H](c2ccccc2)[C@@H](CO)N1CC1CC1)c1ccccc1	95895685	DZQWNXDWAYARHT-HBMCJLEFSA-N	386.517	2.204	0	1	GEAF	
Cc1noc(C)c1Cn1cc(N2C(=O)CN(Cc3ccc(C#N)cc3)C2=O)cn1	115733130	KLGUFRKTTVOFKS-UHFFFAOYSA-N	390.403	2.377	0	1	GEAF	
O=c1n(CCCCNC[C@H]2CCc3ccccc3O2)c(O)c2n1SCC2	169725343	NPGJSXDYSSLKJT-OAHLLOKOSA-N	375.494	2.171	0	1	GEAF	
COC(=O)c1cc2nc([C@@H](CC(=O)O)NC(=O)OCc3ccccc3)[nH]c2cn1	587204551	ZTDFCNRDAJRLNR-CYBMUJFWSA-N	398.375	2.187	0	1	GEAF	
CCOC(=O)CCOCCCOCCc1nc2cccc(C(=O)OC)c2[nH]1	587567396	HRFDYIIOZYECCK-UHFFFAOYSA-N	378.425	2.269	0	1	GEAF	
COc1n[nH]c2cc(NC(=O)N[C@@H](c3ccccc3)C3(O)CCC3)nc(CO)c12	1772636918	KPTGMBDUEMQROX-KRWDZBQOSA-N	397.435	2.237	0	1	GEAF	
CN(c1ccc(S(N)(=O)=O)cc1)c1nc(-c2ccc(O)c(CO)c2)cs1	1772652410	ODWXBQVCUGQMGH-UHFFFAOYSA-N	391.474	2.423	0	1	GEAF	
COC(=O)[C@]1(C)CCC[C@@]2(CO)[C@@H]1CC[C@@H]1[C@@H](C)C3=CC(=O)O[C@@]3(O)C[C@H]12	2356332076	ANVFGLCWJQWCRP-KXSMFKDISA-N	378.465	2.182	0	1	GEAF	
CCC(=O)O[C@H]1[C@@H](OC(=O)C[C@H](C)CC)CC(C(=O)OC)=C[C@H]1OC(C)=O	2356506033	YFKOHXYZUOKJHH-ZKRNXSKHSA-N	384.425	2.091	0	1	GEAF	
CCCS(=O)(=O)NC(=O)[C@]1(C)CCN(C(=O)c2ccc(F)c(Cl)c2)C1	61926877	WMGLRTAWIBXPTE-MRXNPFEDSA-N	390.864	2.187	0	3	GEAF	
C[C@@]12C(=O)N(C[C@@H](O)c3ccccc3)CC(=O)N1CCc1c2[nH]c2ccccc12	2108883	BLHVDTYJIUYDLR-AUSIDOKSSA-N	389.455	2.344	0	1	GEAF	biogenic
COc1cccc(C2=NN3C(=NC(C)=C(C(N)=O)[C@@H]3c3ccccc3F)N2)c1	4279783	RQDKFRBZOIBVEK-KRWDZBQOSA-N	379.395	2.271	0	1	GEAF	
N=C(N)c1ccc(CNC(=O)[C@@H]2CCC=C2C(=O)NCc2ccccc2)cc1	13493927	BCFJZTZZPBLZFJ-LJQANCHMSA-N	376.460	2.240	0	1	GEAF	
CCCCC(=O)NN1N=C(c2ccc(N)cc2)c2cc3c(cc2CC1=O)OCO3	27524731	AHJXEVHTCBPRSN-UHFFFAOYSA-N	394.431	2.356	0	1	GEAF	
Cc1c(Cc2c(F)cccc2F)nc(N2CCC3(CC2)OCCO3)[nH]c1=O	28866392	QMWNHYQWDMAITN-UHFFFAOYSA-N	377.391	2.291	0	1	GEAF	
COc1ccc([C@H]2CNCc3cc(OCCCN4CCOCC4)ncc32)cc1	28883600	INWLSQYDDFJBQN-HXUWFJFHSA-N	383.492	2.426	0	1	GEAF	
CCOC(=O)CN(CC(F)(F)F)C1=C[C@@H]2C(C(F)(F)F)=CC(=O)N[C@@H]2C=C1	34799922	KAMLTZGDMAYCDB-ZYHUDNBSSA-N	398.303	2.471	0	1	GEAF	
C[C@@H](c1nc(=O)c2cnc(C3CCOCC3)n2[nH]1)N1CC(c2ccccc2)C1	205424562	FZUKRPWMHZXLKZ-AWEZNQCLSA-N	379.464	2.472	0	1	GEAF	
CC[C@@H]1[C@H]2OC(=O)[C@](C)(O)[C@H]2[C@@H]2CCCN3[C@H]([C@@H]4C[C@H](C)C(=O)O4)CC[C@H]3[C@@H]12	255259509	PMKAPBDTZVDGSB-YDKYDGCESA-N	391.508	2.130	0	1	GEAF	
CC(C)S(=O)(=O)Nc1ccc(-c2nc3cc(-n4cnnn4)ccc3[nH]2)cc1	586951346	XECDIBDTPQWHEU-UHFFFAOYSA-N	383.437	2.356	0	1	GEAF	
CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)N(C(C)C)C[C@H]1C(=O)OCC	587474354	FJEJSHWDQFBTPL-YCRPNKLZSA-N	389.448	2.479	0	1	GEAF	
CC1(C)Oc2cc(O)ccc2[C@H]2[C@@H]1CCn1c(=O)n(-c3ccccc3)c(=O)n12	1772575742	TZFMTPABAWISGW-WMZOPIPTSA-N	379.416	2.287	0	1	GEAF	
O=S(=O)(NC[C@@H]1C[C@H]2CCN1C[C@H]2CN1CCCC1)c1ccc(Cl)cc1	2356377621	GOEFWMJPMAJBFU-NUJGCVRESA-N	397.972	2.425	0	1	GEAF	
CC(C)CN1CC2(C1)CN(C(=O)c1ccc(Cl)cc1)C[C@H]1COCCN12	2356753719	XURKXWJJPXWNPL-SFHVURJKSA-N	377.916	2.207	0	1	GEAF	
CC(=O)OC[C@]1(C)[C@H](O)C(=O)C[C@]2(C)[C@@H]3CCc4cocc4[C@]3(CO)CC[C@@H]12	2356844628	NXHOYVCBNYYEDE-NPQLIOMISA-N	390.476	2.392	0	1	GEAF	
COc1ccc2c(C(=O)c3ccc(Cl)cc3)n(CCCC(N)=O)[n+]([O-])c2c1	36383479	RPRZXWDKYYUWJH-UHFFFAOYSA-N	387.823	2.433	0	3	GEAF	
N=C(N)NCCC(=O)Nc1ccc(S[C@@H](CC(=O)O)c2cccnc2)cc1	13589324	JQWBVYBYACCTPQ-HNNXBMFYSA-N	387.465	2.201	0	1	GEAF	
C[C@@](O)(C(=O)Nc1ccc(C(=O)N2CCOCC2)cc1Cl)C(F)(F)F	13808718	XNGVNSXRRADPSC-CQSZACIVSA-N	380.750	2.064	0	1	GEAF	
COC(=O)[C@H](NC(=O)[C@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1)C(C)C	14584007	PUSHWZUNZAQTHW-BOUXLOLZSA-N	381.476	2.351	0	1	GEAF	biogenic
CC(C)(C)OCCCNC(=O)C1=NO[C@H](C(O)(C(F)(F)F)C(F)(F)F)C1	34660862	GOGPBPSRUPJVIT-VIFPVBQESA-N	394.312	2.308	0	1	GEAF	
Cc1cc(Oc2ccc(S(N)(=O)=O)cc2CN(C)C)ccc1[S@](C)=O	40424096	GUEUKMXCMIUBEX-XMMPIXPASA-N	382.507	2.234	0	1	GEAF	
O=C(O)Cc1cs/c(=N\C(=O)S(=O)(=O)c2ccc3ccccc3c2)n1O	45255209	UIGUSOLCYULKAM-ICFOKQHNSA-N	392.414	2.062	0	1	GEAF	
CCC(=O)N1[C@@H]2CN(C(=O)c3ccc4c(c3)OCO4)c3ccccc3[C@@H]2[C@@H]1CO	95893934	JMVPXSPCBDXTLG-WWMYMODYSA-N	394.427	2.141	0	1	GEAF	
COc1cc2c3c(c1)O[C@H](c1ccc(OCc4nnnn4C)cc1)[C@@H](C2)C3=O	587435590	GWNHALNZWCBZLU-MGPUTAFESA-N	378.388	2.286	0	1	GEAF	
CN1C=CN([C@H]2OC(C(F)(F)F)=CN2c2ccc(S(N)(=O)=O)cc2)C=C1	1772611897	APKHPKVAESWMHG-CQSZACIVSA-N	388.371	2.048	0	1	GEAF	
O=C(N[C@@H]1CCS(=O)(=O)C1)c1ccc2c(-c3nc4ccccc4[nH]3)n[nH]c2c1	1772629661	IDWQFWIOKHDUCA-GFCCVEGCSA-N	395.444	2.023	0	1	GEAF	
CN1[C@H]2COC[C@H]1CC(NC(=O)c1cn(-c3cncnc3)c3ccccc13)C2	1772648365	MJPPCISTPOWPST-HZPDHXFCSA-N	377.448	2.012	0	1	GEAF	
COc1cccc(-c2cccc(N3CCN([C@@H]4CCN(C#N)C4)S3(=O)=O)c2)c1	1857552868	NCRXPSOYXLZRNY-LJQANCHMSA-N	398.488	2.284	0	1	GEAF	
COc1ccc(CCN2C[C@@H](C(=O)NCc3c(C)n[nH]c3C)CCC2=O)cc1	14977734	HKZGVWFXCIIYKJ-KRWDZBQOSA-N	384.480	2.133	0	3	GEAF	
Cc1ccccc1S(=O)(=O)NC(=O)[C@]1(C)CCN1C(=O)Cc1cccs1	61908068	DEFNPIBXZYVKEE-SFHVURJKSA-N	392.502	2.095	0	3	GEAF	
CC(C)CCNC(=O)Cc1ccc(NC2=N[C@H]3CS(=O)(=O)C[C@H]3S2)cc1	6739142	ZXTBSVZVHUKMEJ-JKSUJKDBSA-N	395.550	2.072	0	1	GEAF	
COc1ccc2[nH]c3c(c2c1)CCN1C(=O)CN(Cc2cccnc2)C(=O)[C@@]31C	13002967	KWHVDANONXERKI-JOCHJYFZSA-N	390.443	2.214	0	1	GEAF	biogenic
O=C(CCn1cnc2onc(-c3ccc(F)cc3)c2c1=O)NCc1cccnc1	20574627	YNCZIHWMWMYWEB-UHFFFAOYSA-N	393.378	2.292	0	1	GEAF	
COC(=O)[C@@]12CC[C@]3(C=CCN4CC[C@@]5(c6cccc(OC)c6N[C@]15O)[C@@H]43)C2	38861074	SKAAIQIJEHWIFO-NDYOWHOSSA-N	382.460	2.035	0	1	GEAF	
COC(=O)c1cnc(SCC(=O)NC(=O)Nc2ccc(Cl)cc2)n1C	68572007	HQNIKVJXQUOAIU-UHFFFAOYSA-N	382.829	2.301	0	1	GEAF	biogenic
CNC(=O)CCN1CCC(CNC(=O)c2nn(C(C)C)c3ccccc23)CC1	95564887	DCTPSCJKONJAFA-UHFFFAOYSA-N	385.512	2.195	0	1	GEAF	
COC(=O)[C@H](C(C)=O)C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1	102761076	DWPFNBVNAILJTJ-RBUKOAKNSA-N	397.427	2.471	0	1	GEAF	
CNC(=O)c1cc2cc(Nc3nccc(-c4cn(C)cn4)n3)cc(OC)c2[nH]1	205650789	CWGXZMQOICQOAR-UHFFFAOYSA-N	377.408	2.470	0	1	GEAF	
O=C(/C=C\c1ccc(CNCCN2CCOCC2)cc1)NCCc1ccccc1	206902040	WDRZSGWXVQAOGA-KHPPLWFESA-N	393.531	2.481	0	1	GEAF	
O=C(NC[C@@H](O)CN=c1[nH]c2ccccc2[nH]1)c1cc(Cl)cc(Cl)c1	473135237	MSRQUFYRWFQLRO-CYBMUJFWSA-N	379.247	2.494	0	1	GEAF	
Cc1nc2[nH]c(CN(C)S(=O)(=O)c3cccnc3)nc2cc1Br	586928845	LJRMJFXQWHKIHH-UHFFFAOYSA-N	396.270	2.245	0	1	GEAF	
CCn1ncc([C@]2(CN3CCOCC3)CC(=O)c3cc(C)cc(N)c3O2)c1C	587391283	MEKBRRVKIKNTBB-OAQYLSRUSA-N	384.480	2.295	0	1	GEAF	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnn([C@@]3(C)CCS(=O)(=O)C3)c1)O2	587410483	NPMHNPGNNXGZRB-WMZOPIPTSA-N	375.450	2.014	0	1	GEAF	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)O)(c2csc(N)n2)N1	587852684	MWEVYRIABCWDEL-DXRPGJJCSA-N	386.246	2.489	0	1	GEAF	
COCC(=O)N1CC[C@](C)(O)[C@@H](NC(=O)c2ccccc2)[C@H]1c1cccs1	2356289367	UTJAPVYMFGRFGU-HBFSDRIKSA-N	388.489	2.218	0	1	GEAF	
O=C(COc1ccccc1)N[C@@H]1[C@H](c2ccc(C(F)(F)F)cc2)C[C@H](O)[C@H]1O	2356305222	QAZSZHHGACIRAI-RNIPGJKVSA-N	395.377	2.478	0	1	GEAF	
CC(C)CN(CC(C)C)S(=O)(=O)N1CCC(C(=O)NCc2ccco2)CC1	2944234	GQOFKOYARRSGDP-UHFFFAOYSA-N	399.557	2.467	0	3	GEAF	
COCCn1ccc2c(OCC(=O)NCCc3ccccc3)cccc2c1=O	4584317	BRRFBFJLOXOXLH-UHFFFAOYSA-N	380.444	2.386	0	3	GEAF	
CC(C)(C)OC(=O)NCC(=O)Nc1cccnc1C(=O)Nc1nccs1	28341484	RNEBMIGQCCRRKY-UHFFFAOYSA-N	377.426	2.254	0	1	GEAF	
CCCNC(=O)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C1	95795675	ASDHYRJAHRQYIC-TUNNFDKTSA-N	393.487	2.444	0	1	GEAF	
CC(C)n1cc(-c2cc(C(N)=O)c3ncnc(N[C@H]4CCCNC4)c3c2)cn1	114350286	AKBDTDXHGVXZLY-HNNXBMFYSA-N	379.468	2.337	0	1	GEAF	
CCOC(=O)[C@@]1(C)N[C@H](c2ccc(O)cc2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21	169299916	WDRCVSJEVWHPTC-IDVKNYFZSA-N	394.427	2.164	0	1	GEAF	
O[C@@H](COc1cccc(CNC2CCNCC2)c1)CN1CCc2ccccc2C1	219776611	LDERCLHTDVSNCG-HSZRJFAPSA-N	395.547	2.326	0	1	GEAF	
COc1cc2nc(-c3ccc(C(N)=O)cc3)nc(N3CCOCC3)c2cc1OC	299863474	PBSCLWGIOOEGOE-UHFFFAOYSA-N	394.431	2.250	0	1	GEAF	
CC[C@H](Sc1nc(C)cc(O)n1)c1nc2ccc(S(N)(=O)=O)cc2[nH]1	586963683	QFHOWDODQXMCPG-LBPRGKRZSA-N	379.467	2.258	0	1	GEAF	
COc1cc2c3c(c1)O[C@@]1(CCN(C(=O)C(F)(F)F)/C1=C\N(C)C)[C@@H](C2)C3=O	587422170	SBRATXSPICAVPR-VUFFEOJSSA-N	396.365	2.379	0	1	GEAF	
Cc1c2c(nn1C)[C@H](c1ccc3c(c1)c(C=O)c(Cl)n3C)N[C@H](C(=O)O)C2	962720116	ZATBISVHRFOOJG-HOCLYGCPSA-N	386.839	2.374	0	1	GEAF	
C[C@@H]1OC(c2ccccc2O)=N[C@@H]1C1=NC[C@@H](C2=N[C@@H](C(=O)O)CS2)S1	2356795691	MJFSVXKNKROZMR-JAAHAHCPSA-N	391.474	2.039	0	1	GEAF	
CC(=O)OC[C@]1(C)[C@H](O)C(=O)C[C@]2(C)[C@@H]3CCc4cocc4[C@@]3(CO)CC[C@H]12	2356844626	NXHOYVCBNYYEDE-GVUKCBQMSA-N	390.476	2.392	0	1	GEAF	
C[C@H](NC(=O)c1[nH]cnc1C(=O)N[C@H](C)c1ccccc1)C(=O)OC(C)(C)C	15953075	CCSWDIGVNQVIAF-OLZOCXBDSA-N	386.452	2.361	0	3	GEAF	
CCOC(=O)CNC(=O)N[C@@H]1C=C[C@@H](c2c(C)nn(-c3ccccn3)c2C)C1	8623869	WPXIOAKSNDCCDC-HZPDHXFCSA-N	383.452	2.159	0	1	GEAF	biogenic
O=C(N[C@@H]1CO[C@@H]2[C@@H](Nc3nccc(-c4cccs4)n3)CO[C@@H]12)c1ccco1	25431584	UQTQOARCPRMQGS-OSRSDYAFSA-N	398.444	2.175	0	1	GEAF	biogenic
CCCN1CCN(c2nc3cccc(N)c3nc2N2CCN(CCC)CC2)CC1	26170786	DQNZOVIKCLLBTD-UHFFFAOYSA-N	397.571	2.276	0	1	GEAF	
CCOCCO[C@H]1CCC([N+](=O)[O-])=C2N(Cc3ccc(Cl)nc3)CCN21	35273277	YHAGMTMCUCFGED-INIZCTEOSA-N	382.848	2.471	0	1	GEAF	
O=C(CO)Nc1ccc2ncn(Cc3cccc(C(F)(F)F)c3)c(=O)c2c1	40395134	NGHKQFVTHZKHMA-UHFFFAOYSA-N	377.322	2.394	0	1	GEAF	
CC1(C)c2[nH]nc(NC(=O)c3ccc(F)cc3)c2CN1C(=O)C1CCNCC1	45384836	CDEIEGNYDSWLCD-UHFFFAOYSA-N	385.443	2.378	0	1	GEAF	
O=C(CCc1ccccc1)c1cc(F)ccc1OC[C@H](O)CN1CCNCC1	73165801	NEDSYOGUEQGNMM-LJQANCHMSA-N	386.467	2.286	0	1	GEAF	
COc1cc2c(cc1OC)[C@]13CCN4CC5=CCO[C@@H]6CC(=O)N2[C@@H]1[C@H]6[C@@H]5C[C@H]43	100297161	RRKTZKIUPZVBMF-MXQHSAPPSA-N	394.471	2.110	0	1	GEAF	
Cn1cc(-c2cc3c(-c4cccc(N5CCC(O)CC5)n4)n[nH]c3cn2)cn1	205285658	OLGXFUTXHMRQII-UHFFFAOYSA-N	375.436	2.382	0	1	GEAF	
NS(=O)(=O)c1ccc(CCc2nc3ccnc(Br)c3[nH]2)cc1	586929656	GTODQPNYCDRQKZ-UHFFFAOYSA-N	381.255	2.153	0	1	GEAF	
CC(C)(C)OC(=O)Nc1snnc1-c1nc2cc(S(N)(=O)=O)ccc2[nH]1	587039028	OIMABLATEFTQAW-UHFFFAOYSA-N	396.454	2.076	0	1	GEAF	
CC(=O)c1ccc2c(c1)[C@H](c1nc[nH]n1)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2	962622623	CSOPGANPYNAWLZ-LSDHHAIUSA-N	386.408	2.343	0	1	GEAF	
CNS(=O)(=O)c1ccc(CCNC(=O)c2cccc(Cl)c2OC)cc1	1857772836	KCRPEMREMWCMLF-UHFFFAOYSA-N	382.869	2.229	0	1	GEAF	
COCCNC(=O)[C@H](C)[C@@H]1CC[C@]2(C)CC[C@H](NC(=O)C3CC3)[C@H](C)[C@H]2[C@H]1O	2356491542	KXOJPFMBNWZORO-QXCYLLTESA-N	394.556	2.103	0	1	GEAF	
C[C@@H]1O[C@H](OCCCCCCCCCC[C@H](O)CC(=O)O)[C@@H](O)C[C@H]1O	2356543796	XUIRIUDIZICRKQ-LVEJAMMSSA-N	376.490	2.206	0	1	GEAF	
O=C(NCCOCCO)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccoc1	4206618	KSTUOCWQRPEVTN-WBVHZDCISA-N	378.812	2.150	0	1	GEAF	
Cn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(c4ccccn4)CC3)cc21	5932681	LHDJWUNMQLWBJR-UHFFFAOYSA-N	382.395	2.097	0	1	GEAF	
COc1cccc(CN2CCC[C@@]3(CCN(Cc4nccn4C)C3)C2=O)c1OC	11819745	HSGYVSKBEMYSOG-QFIPXVFZSA-N	398.507	2.452	0	1	GEAF	
Cc1cn([C@@H]2C=C[C@H](CO[P@@]3(=O)OCc4ccccc4O3)O2)c(=O)[nH]c1=O	25991616	NEUXRWCLDPVEMR-YMPPHOBMSA-N	392.304	2.033	0	1	GEAF	
Nc1ncnc2c1ncn2CCOC[P@@]1(=O)OCC[C@@H](c2cccnc2)O1	28974802	QCQZZEMHOWRTHB-JGTBNHKDSA-N	390.340	2.149	0	1	GEAF	
CC1(C)O[C@@H]2[C@H](O1)[C@H]1OC(C)(C)O[C@H]1O[C@@H]2Cn1cc(-c2ccccc2)nn1	45367937	SFSRPJYHZVXFPW-DISONHOPSA-N	387.436	2.342	0	1	GEAF	
O=C(O)C[C@H](NC(=O)OCc1ccccc1)C(=O)COC(=O)Cc1ccccc1	58583165	HJAZRKUIRXMZFE-KRWDZBQOSA-N	399.399	2.111	0	1	GEAF	
O=c1[nH][nH]c2nc(CN3CCN(c4ccc(F)cc4)CC3)nc3cccc1c32	59276430	ODSUFHUQEPODHD-UHFFFAOYSA-N	378.411	2.261	0	1	GEAF	
Cc1c(Nc2csc3c2C(=O)N[S@@](=O)N3)c(=O)n(-c2ccccc2)n1C	72120331	DHYMOIKIORTLAI-SANMLTNESA-N	389.462	2.024	0	1	GEAF	
CC(=O)NCCNC(=O)c1cnc(N2C[C@@H](C)C[C@@H](C)C2)nc1-c1ccccc1	82133893	BGZMKUGKNQMCIG-IYBDPMFKSA-N	395.507	2.492	0	1	GEAF	
COc1cc(C(=O)N2CCOCC2)ccc1Nc1ncc(Cl)c(OC)n1	95571614	GHGGWNFLWFGEOC-UHFFFAOYSA-N	378.816	2.363	0	1	GEAF	
COc1ccccc1-c1ccc([C@@H]2[C@H](CO)N(C(C)=O)C23CN(C(C)=O)C3)cc1	95666980	FIBBXZRMTLYBLV-RBBKRZOGSA-N	394.471	2.270	0	1	GEAF	
O=C(NC[C@H]1[C@@H](c2ccccc2)[C@H](CO)N1Cc1cccnc1)c1ccccn1	95895955	SYVBQOCIBBMOLP-FDFHNCONSA-N	388.471	2.236	0	1	GEAF	
Cc1nc(C2CC2)nc2c1CN(c1ncnn3c(C)nc([C@@H]4CCOC4)c13)CC2	169711672	NIWIBIINTFOAHW-OAHLLOKOSA-N	391.479	2.475	0	1	GEAF	
Cc1cnc(N[C@@H]2CCCN(C(=O)c3ccccc3-n3nccn3)[C@H]2C)nc1	220737276	GHMOZDOVUXPZTP-DOTOQJQBSA-N	377.452	2.471	0	1	GEAF	
Cc1cccc([C@H]2C[C@@H]2COc2cc(NCc3cnn(C)c3)c(=O)n(C)n2)n1	221925316	KZYZIGPVFIGTED-CVEARBPZSA-N	380.452	2.012	0	1	GEAF	
CC(=O)O[C@@]1(c2ccc3c(c2)OCO3)C(=O)OC[C@H]1Cc1ccc2c(c1)OCO2	238760163	HKKUYQLJIRAPRD-QVKFZJNVSA-N	398.367	2.318	0	1	GEAF	
CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cnc(Cl)[nH]c-2n1	586964611	IDEMSVOSTFWDKS-UHFFFAOYSA-N	389.876	2.415	0	1	GEAF	
CS(=O)(=O)c1ccc2nc(-c3cnn4cc(Br)cnc34)[nH]c2c1	587009250	YLMMKLICXORYHL-UHFFFAOYSA-N	392.238	2.439	0	1	GEAF	
C=CS(=O)(=O)N(C)CCN(C)C(=O)c1ccc(-c2ccc(OC)cc2)o1	621485951	VKHVWNJZCRNYDX-UHFFFAOYSA-N	378.450	2.432	0	1	GEAF	
C[C@H]1CC(=O)N([C@@H](C)C(=O)N2CCN(c3ccc(C(F)(F)F)cc3)CC2)C1=O	653788947	HLGDVJHWIYCYBT-STQMWFEESA-N	397.397	2.138	0	1	GEAF	
CN1C(=O)C[C@@H]2CN[C@@]3(CC(C)(C)Cc4c3cnc3ncnn43)c3cccc1c32	963014921	BATVHHHNWJNVNH-DMZKTXOQSA-N	388.475	2.394	0	1	GEAF	
COc1ccc(C[C@H](NC=O)C(=O)Cc2cc(OC)c(OC)c(OC)c2)cc1	2356643127	ISLZSBCNTPPXAF-KRWDZBQOSA-N	387.432	2.190	0	1	GEAF	
O=C(CN1[C@H]2CC[C@H]1CC(O)(c1cccnc1)C2)Nc1ccc2c(c1)OCO2	100984586	IECFRQIEOWBORM-IRXDYDNUSA-N	381.432	2.263	0	3	GEAF	
O=C(COC(=O)[C@H]1[C@@H]2C[C@@H]3OC(=O)[C@@H]1[C@@H]3C2)Nc1cccc(C(F)(F)F)c1	13517173	DCKLMBLLIHHFIH-QZVLQWBNSA-N	383.322	2.385	0	1	GEAF	
O=C(NCCN1CCCC1)c1ccc2c(=O)n(C3CCCCC3)c(=O)[nH]c2c1	28640970	WXNSVKDSCUFCFJ-UHFFFAOYSA-N	384.480	2.021	0	1	GEAF	
CN(C(=O)CC(=O)Nc1ccccc1)[C@H](CN1CC[C@H](O)C1)c1ccccc1	28704898	LKLKWIZXWSNWAQ-VQTJNVASSA-N	381.476	2.282	0	1	GEAF	
COC(=O)[C@@H](C(C)=O)C(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1	36384652	DWPFNBVNAILJTJ-MOPGFXCFSA-N	397.427	2.471	0	1	GEAF	
c1cc(-c2ccc(-c3cc(N4CCOCC4)nc(N4CCOCC4)n3)o2)ccn1	45283583	AGMONRAPNWWEIA-UHFFFAOYSA-N	393.447	2.472	0	1	GEAF	
COc1cc(OC)c2c(c1)O[C@H](c1cc(O)c(OC)cc1O)[C@@H](OC)C2=O	69482097	HWWQQYHBKHIOIS-MOPGFXCFSA-N	376.361	2.455	0	1	GEAF	biogenic,in-vitro
C[C@@]12C[C@@H](O)[C@H](O)CC1=CC[C@@H]1C(=O)O[C@@H]3CO[C@]4(C)OC=C(CC[C@H]12)[C@H]34	238753566	ULXVHDBQEPWLDR-OUAFOFNUSA-N	376.449	2.053	0	1	GEAF	
COc1cc2nc(-c3nc(O)nc(O)c3I)[nH]c2cc1C	587181922	IDBCXBJDLAWRGE-UHFFFAOYSA-N	398.160	2.353	0	1	GEAF	
CC(C)(C)OC(=O)N(Cc1nc2ccc(-n3cnnn3)cc2[nH]1)C[C@@H]1CCCO1	587197894	XHJZSFFRMIWXOK-AWEZNQCLSA-N	399.455	2.455	0	1	GEAF	
N[C@H](Cc1cc(Cl)c(Cl)c(-c2ccc(S(N)(=O)=O)cc2)c1)C(=O)O	653687077	JULUTFHBMAQDKX-CYBMUJFWSA-N	389.260	2.262	0	1	GEAF	
CCC(=O)[C@@H]1C(=O)OC(C)=C[C@@]12N[C@@H](C(=O)O)Cc1c2cnc2ccccc12	963239551	XFPIKIJMECUWLU-BLIXFSHQSA-N	380.400	2.085	0	1	GEAF	
O=C(c1ccn(-c2nc(=O)c3cccn3[nH]2)c1)N1CCC(C(F)(F)F)CC1	1857614815	CKJJRZPWONIUBY-UHFFFAOYSA-N	379.342	2.228	0	1	GEAF	
O=C(NCc1ccncc1)[C@@H]1Cc2c(-c3ccc4c(c3)OCO4)ccnc2O1	61904181	XRGJQDILOLSCGY-IBGZPJMESA-N	375.384	2.492	0	3	GEAF	
CN(C)CCc1cc2c(cc1[C@@H](O)[C@H]1OC(=O)c3c1ccc1c3OCO1)OCO2	14612502	YLDLNSVEMCPXKU-MOPGFXCFSA-N	399.399	2.193	0	1	GEAF	biogenic
C[C@@H](c1ccc(-c2ccc(=O)n(C)c2)cc1)[C@H](N)C(=O)N1CCC(F)(F)C1	14947725	GMVMVXIACIVOBR-UGSOOPFHSA-N	375.419	2.351	0	1	GEAF	
CC(=O)O[C@@H]1C=C[C@H](O)[C@@H]2[C@@H]1[C@@H](O)C=CC21Oc2cccc3cccc(c23)O1	14958794	FRGSTJNRJXFGJS-IRIXXLTMSA-N	380.396	2.333	0	1	GEAF	biogenic
O=C1NC(=O)[C@@](CN2Cc3ccc(Cl)cc3C2=O)(c2ccc(F)cc2F)N1	38215513	AJJKDXWYFPYPSE-GOSISDBHSA-N	391.761	2.309	0	1	GEAF	
COC(=O)[C@H]1c2ccccc2CCN1Cc1cc(C(=O)O)c(=O)n2ccccc12	66066461	GMTAYAUCMSECPU-LJQANCHMSA-N	392.411	2.270	0	1	GEAF	
O=C(NC[C@H]1CCCO1)[C@@H]1CCCN1c1nc(-c2cc(O)cc(O)c2)cs1	82194213	VVPASIIKXCDUJU-WBVHZDCISA-N	389.477	2.485	0	1	GEAF	
C/C=C/c1ccc2c(c1)O[C@@H](CN(C)C)[C@@H](C)CN([C@H](C)CO)S2(=O)=O	95711449	KDXLDHVMUOGHJB-MDVPQKKLSA-N	382.526	2.050	0	1	GEAF	
CCC(=O)N1[C@H](CO)[C@H](c2ccccc2)C12CN(C(=O)Cc1ccccc1)C2	95794274	SBZGQFBMAWKVMC-KNQAVFIVSA-N	378.472	2.207	0	1	GEAF	
CCCNC(=O)N[C@H]1CC[C@@H](CCn2cc(C3CCCCC3)nn2)O[C@@H]1CO	95903199	DEXIUYVPHBRLOT-JENIJYKNSA-N	393.532	2.334	0	1	GEAF	
O=c1nc(OC[C@@H]2COCCO2)cc2n1CCc1cc(C3=CCOCC3)ccc1-2	142907361	LMVWRWNWERGULV-SFHVURJKSA-N	396.443	2.064	0	1	GEAF	
O=C(COC(=O)[C@@H]1[C@@H]2C[C@@H]3OC(=O)[C@@H]1[C@@H]3C2)Nc1ccc(Br)cc1	169303683	UJEBGXJCXKZLFL-FETKWTAISA-N	394.221	2.128	0	1	GEAF	
O=C(COc1cccc2cccnc12)NC[C@@H](O)CN1Cc2ccccc2C1	217098649	DOONEOBBMQKESC-LJQANCHMSA-N	377.444	2.107	0	1	GEAF	
CC(C)(C)c1nccc(-c2cnc(NC(=O)N3C[C@@H]4C[C@H]4[C@H]3C(N)=O)s2)n1	261091037	DMOPXNHLKVNOOY-CWSCBRNRSA-N	386.481	2.235	0	1	GEAF	
C[C@@H]1C[C@](C)(O)[C@@H]2[C@@]3(C)CCC[C@@]2(COC3=O)[C@]12CC[C@]1(CCOC1=O)O2	263608182	SXRSWIKTOZHQDT-FTVPLAAKSA-N	378.465	2.362	0	1	GEAF	
CNC(=O)[C@H]1C[C@H]1c1nc2c(I)cnc(Cl)c2[nH]1	587236764	ZFPCLBJJKCZGPR-UHNVWZDZSA-N	376.585	2.065	0	1	GEAF	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1nn(C)cc1C(=O)O	587868497	MYKQYCHMXACPBC-UHFFFAOYSA-N	395.297	2.093	0	1	GEAF	
OC[C@@H]1CN(Cc2ccccc2)C[C@H](n2ccc3c(N4CCCC4)ncnc32)O1	61904794	AVIJHTKGOARVOS-AZUAARDMSA-N	393.491	2.423	0	3	GEAF	
CC(C)[C@@H](C(=O)OCC(=O)c1ccccc1)N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O	2067953	SUAQGZZDRBYGMI-XJWCYLOLSA-N	381.428	2.244	0	1	GEAF	
COc1cccc(-c2cc(C(F)(F)F)nc(-n3cc(C)c(=O)[nH]c3=O)n2)c1	4881465	NYYHJHCIJFBXCC-UHFFFAOYSA-N	378.310	2.319	0	1	GEAF	
O=C1c2cccn2[C@@]2(CC(O)=NC2=O)C(=O)N1Cc1ccc(C(F)(F)F)cc1	13781459	ZPRMXUBHWPVFPA-QGZVFWFLSA-N	391.305	2.272	0	1	GEAF	
O=CN1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@@H](CN2CCCC2)C1	13832107	VZELDQLPRRHTQM-HNNXBMFYSA-N	384.307	2.301	0	1	GEAF	
COc1cc2nc(N(C)CCCNC(=O)C3CCCC3)nc(N)c2cc1OC	26503172	ZEVHJIPAFPBJPE-UHFFFAOYSA-N	387.484	2.362	0	1	GEAF	
CC1(C)S[C@@H]2[C@@H](NC(=O)N/C=C/c3ccc(Cl)cc3)C(=O)N2[C@H]1C(=O)O	28254133	ONQGTRRLUIXXKW-TVNSFQILSA-N	395.868	2.125	0	1	GEAF	
Nc1nc(N)c2cc(S(=O)(=O)Nc3cccc(Br)c3)ccc2n1	29463198	QTSNXDQKDYBOQS-UHFFFAOYSA-N	394.254	2.358	0	1	GEAF	
C[C@@H]1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1cnc2ccccc2n1	33820035	JKHFNOANZOYIKE-OAHLLOKOSA-N	388.427	2.186	0	1	GEAF	
Cc1cc(N2CCC(C(=O)Nc3ccc4c(c3)OCCO4)CC2)n2ncnc2n1	36643511	APNDDMAOHQDGHB-UHFFFAOYSA-N	394.435	2.059	0	1	GEAF	
Cc1ccc(CCNC[C@H](O)COc2ccc(NS(C)(=O)=O)cc2)cc1C	40953227	YSMYHFYQNPTSTR-IBGZPJMESA-N	392.521	2.247	0	1	GEAF	
C[C@@H]1NCCn2cc(-c3nc4c(cc3F)C(=O)[C@@H](C(=O)O)CN4C3CC3)cc21	45290125	KDMBUIROFLUEEN-HZMBPMFUSA-N	384.411	2.219	0	1	GEAF	
O=C(CC1CC1)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2Cc1ccccn1	95793940	WUXVANVITFJQQY-IFMALSPDSA-N	377.488	2.423	0	1	GEAF	
CC(C)(CC(=O)NC1CC1)CC(=O)N[C@@H]1[C@H]2CC3C[C@@H]1C[C@@](C(=O)O)(C3)C2	101272417	AOPXWZBVYOUGAH-KSLOGVFJSA-N	376.497	2.467	0	1	GEAF	
CC(C)(O)c1ccc(-c2cnc3c(n2)N(CCC2CCOCC2)C(=O)CN3)cn1	113195403	SSVPJPIEWYQHJS-UHFFFAOYSA-N	397.479	2.341	0	1	GEAF	
O=C(O)Cn1nnc(-c2cnc(N3CCC4(C=Cc5ccccc54)CC3)s2)n1	143382432	PEXPKNONLMRNCB-UHFFFAOYSA-N	394.460	2.446	0	1	GEAF	
COc1ccc(-n2ncc(C(=O)Nc3ccc([C@H]4CNCCO4)cc3)n2)cc1	146988084	DDWNMQMFJMRHQF-LJQANCHMSA-N	379.420	2.189	0	1	GEAF	
COCCCN1C(=O)C(=O)[C@H](C(=O)c2ccccc2)[C@@H]1c1ccc(O)c(OC)c1	169687622	XUWYUDMXESFEHT-OALUTQOASA-N	397.427	2.389	0	1	GEAF	
Cc1nc(-c2ccccc2Cc2nc3c(cnn3C3CCOCC3)c(=O)[nH]2)no1	169699882	ARHMNQOVZOVUIW-UHFFFAOYSA-N	392.419	2.420	0	1	GEAF	
NS(=O)(=O)c1ccc(CCc2nc3cc(Br)cnc3[nH]2)cc1	586929633	GGIZHOWYRPJGMB-UHFFFAOYSA-N	381.255	2.153	0	1	GEAF	
Cc1c(I)cnn1[C@@H](C)c1nc2ccc(C(N)=O)cc2[nH]1	587182908	UCELSEFTFWVOGN-QMMMGPOBSA-N	395.204	2.381	0	1	GEAF	
CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H]1CCCN1S(C)(=O)=O	587873424	ZDHCCSKOXSDVMY-HNNXBMFYSA-N	381.429	2.152	0	1	GEAF	
C[C@@H]1N[C@H](c2ccccn2)NC(=O)[C@@H]1CC(=O)NCC1(c2ccccc2)CC1	618015154	UZXWMJJBUIDSNU-VPWXQRGCSA-N	378.476	2.042	0	1	GEAF	
CNC1=C[C@@]2(C(Cl)=NN1C)c1ccccc1C[C@@]1(C3CCC3)C(=O)NC(=O)N21	962640317	OBTUEGJHLAACPD-UXHICEINSA-N	399.882	2.087	0	1	GEAF	
C/C=C/Cn1cc(-c2ccc(C(=O)N3CCOCC3)c(F)c2)n2cncc2c1=O	1857550001	QSDMFZZGRFTCSX-NSCUHMNNSA-N	396.422	2.351	0	1	GEAF	
CN(C)[C@H]1CC[C@H](N=c2nc[nH]n3ccc([C@H]4CC[C@H](C(N)=O)CC4)c23)CC1	1857654424	BGBIYRFKZBBZMB-GARHLSDISA-N	384.528	2.195	0	1	GEAF	
CC(C)[C@H](C(N)=O)N1CC[C@@H]2CN(C(=O)Nc3ccccc3)CC[C@H]2CC1=O	2356315887	WGBCBOGCMRMVRV-FRQCXROJSA-N	386.496	2.289	0	1	GEAF	
CC[C@H]1CN2CCC3=c4c(OC)cccc4=NC3=C2C[C@@H]1C(=COC)C(=O)OC	2356838248	LRKSTCBIGUUOED-HOCLYGCPSA-N	396.487	2.146	0	1	GEAF	
COC(=O)C1=C2CCC3=C2[C@@]2(C1)[C@@]1(C)CC[C@@H]4[C@H](C)CN(C[C@H]1C[C@@H]3O)[C@]42O	2356868982	XGTHDNFQKJWUPJ-SKRCNIMZSA-N	385.504	2.388	0	1	GEAF	
CCN(CC)CCCNC(=O)[C@H](C)n1c2ccccc2c2nc(=O)cc(C)n21	2947837	BEJBBYUSLFINRU-INIZCTEOSA-N	383.496	2.367	0	3	GEAF	
CCC[C@@H](C)NC(=O)c1ccc(N(C)Cc2cnc3nc(N)nc(N)c3n2)cc1	13219105	SEOUDLUVPQXRMF-GFCCVEGCSA-N	394.483	2.139	0	1	GEAF	
CCO[C@@H](C1=C[C@@H]2C(C)=NN(c3ccccc3)[C@H]2N=C1)[C@H](OC)[C@@H](O)COC	40879532	GQSWTDIVZVIBID-XDWAVFMPSA-N	387.480	2.263	0	1	GEAF	
CC[C@@H]1Cn2c(c(NCc3ccccc3)c(=O)n(Cc3ccncc3)c2=O)N1	82207467	FNMIFHRUGJKYHP-QGZVFWFLSA-N	377.448	2.270	0	1	GEAF	
Cc1cc(C)nc(NC(=O)NS(=O)(=O)c2sccc2COCCF)n1	103199158	MPBDMHYTDKMMKJ-UHFFFAOYSA-N	388.446	2.151	0	1	GEAF	
O=C(CN1CCC(O)CC1)Nc1ccc(OC2CCN(C3CCC3)CC2)cc1	148942663	HYHGJCVPRBJYNM-UHFFFAOYSA-N	387.524	2.478	0	1	GEAF	
C/C=C1/CN2CC[C@@]34c5cc(O)ccc5N(C)[C@@]23CC[C@H]1[C@]4(CO)C(=O)OC	169721860	SJFXTBHAODZALL-XLIJSISLSA-N	384.476	2.003	0	1	GEAF	
Cc1cccc(N2CCN(C[C@@H](O)CN3CCc4ccccc4C3)C(=O)C2)c1	209688597	CUXYMTAPLNROMI-QFIPXVFZSA-N	379.504	2.063	0	1	GEAF	
Cn1cc(C2=C(c3nnc4ccccn34)C(=O)NC2=O)c2ccc(Cl)cc21	299859124	WFOPRVMQCYVSQS-UHFFFAOYSA-N	377.791	2.442	0	1	GEAF	
CC1CCC(NS(=O)(=O)Cc2nc3cnc(C(F)(F)F)[nH]c-3n2)CC1	586952484	GTNUZXWPKVONFZ-UHFFFAOYSA-N	377.392	2.321	0	1	GEAF	
CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cccc(C(N)=O)c2[nH]1	586965279	MHVITVCNIKBEHW-UHFFFAOYSA-N	396.480	2.119	0	1	GEAF	
NC(=O)c1ccc(CN2CCC(c3nnn4cnc5[nH]ccc5c34)CC2)cc1	1772635017	JKVJALWFQZGJDI-UHFFFAOYSA-N	375.436	2.084	0	1	GEAF	
N=c1nc(-c2ccccc2CO)[nH]c(=NCc2ccc(C(F)(F)F)cc2)[nH]1	1857555844	GJLPKHWXHGSSOO-UHFFFAOYSA-N	375.354	2.496	0	1	GEAF	
O=C1[C@H]2CCCN2C(=O)c2sc(N3CCOCC3)nc2N1Cc1ccccc1	1857619440	HEATYCMJEQQSNV-OAHLLOKOSA-N	398.488	2.131	0	1	GEAF	
CN(C)N1C(=O)CC2(CCN(CCCC(=O)c3ccc(F)cc3)CC2)C1=O	1641798	ILVXNXRHHAUIEM-UHFFFAOYSA-N	375.444	2.106	0	1	GEAF	
C[C@H]1Cn2cc(-c3c(F)cc4c5c3OC[C@H](C)N5C[C@@H](C(=O)O)C4=O)cc2CN1	45253446	BQSNEENMYCZLOF-ZIBATOQPSA-N	399.422	2.270	0	1	GEAF	
O=C(O)[C@@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)Nc1cccc(I)c1	64526446	DSZYTEBTYUKNNT-WRWGMCAJSA-N	387.173	2.108	0	1	GEAF	
CC(=O)N(C)C[C@H]1Oc2c(NC(=O)NC(C)C)cccc2C(=O)N(C)C[C@@H]1C	95662093	XCOQKNQHNZSMKW-SUMWQHHRSA-N	390.484	2.164	0	1	GEAF	
CCCn1c(=O)c2nc([C@H]3CC[C@H](CNC(C)=O)CC3)[nH]c2n(CCC)c1=O	100650263	XFYITOILSTZMGV-GASCZTMLSA-N	389.500	2.116	0	1	GEAF	
O=S(=O)(Nc1ncns1)c1ccc2c(N3CCOCC3)cccc2c1	206121167	NRLZRYDREOHCHO-UHFFFAOYSA-N	376.463	2.329	0	1	GEAF	
CC(C)C[C@H](NC(=O)c1ccc(C2CC2)c(S(=O)(=O)CC(C)C)n1)C(N)=O	207741660	KUSGPJJCAMKZRI-INIZCTEOSA-N	395.525	2.019	0	1	GEAF	
CN(C)S(=O)(=O)c1cccc2nc(CSc3nnc(S)s3)[nH]c12	587025009	ICMWFYIOSJCMLT-UHFFFAOYSA-N	387.537	2.246	0	1	GEAF	
CCOC(=O)Cc1nc2ccc(S(=O)(=O)Nc3ccccc3OC)cc2[nH]1	587779089	XMIILQPVAJGMPN-UHFFFAOYSA-N	389.433	2.478	0	1	GEAF	
O=C1CC(=O)Nc2cc(S(=O)(=O)NCCc3ccc(Cl)cc3)ccc2N1	5035749	AOWSFWNDTNQPAA-UHFFFAOYSA-N	393.852	2.142	0	1	GEAF	
O=c1c(-c2ccc(O)cc2)coc2cc(OCCN3CCNCC3)cc(O)c12	40975407	KUZXJMDUWUNZMW-UHFFFAOYSA-N	382.416	2.155	0	1	GEAF	
Cn1cc(-c2cnn3c(N)c(Br)c([C@H]4CCCCN4)nc23)cn1	66100803	RZDXMYMNGFKQLS-LLVKDONJSA-N	376.262	2.289	0	1	GEAF	
O=C(Nc1ccc(F)cc1)N[C@H]1CC[C@@H](CC(=O)N2CCCCC2)O[C@@H]1CO	95906013	KCKILWFDBJPGIO-OKZBNKHCSA-N	393.459	2.258	0	1	GEAF	
COc1cc(O)cc([C@H]2O[C@H](c3ccc(O)c(OC)c3)[C@@H](CO)[C@@H]2CO)c1	238738915	JUDXJGZHVSKZFH-XAMWDVODSA-N	376.405	2.145	0	1	GEAF	
CC1(C)Oc2cc(O)ccc2[C@@H]2[C@H]1CCn1c(=O)n(-c3ccccc3)c(=O)n12	1772575741	TZFMTPABAWISGW-SJLPKXTDSA-N	379.416	2.287	0	1	GEAF	
O=C(NCCN1CCOCC1)c1ccc2c(-c3nc4ccccc4[nH]3)n[nH]c2c1	1772638095	SGBYPPKJNNKBMZ-UHFFFAOYSA-N	390.447	2.168	0	1	GEAF	
C[C@@H]1CCc2cc(F)cc3c(O)c(C(=O)NC[C@H]4CCCN(C)C4)c(=O)n1c23	1857575653	LWKSFZWBFDVACE-CHWSQXEVSA-N	387.455	2.425	0	1	GEAF	
Cc1c(C(F)(F)F)sc2ncnc(SCC(=O)N3CC(=O)N(C)C3)c12	1911571878	CNNPKAWSHSUBQO-UHFFFAOYSA-N	390.412	2.369	0	1	GEAF	
CC(C)(C)c1nccc(C[C@H]2[C@@H](CO)[C@H](O)C[C@H]2NC2Cc3ccccc3C2)n1	2356716469	NLKWBQVYMKTMOF-DXBBTUNJSA-N	395.547	2.432	0	1	GEAF	
C[C@@H](OC(=O)CCC(=O)O)N1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O	29546804	PATMBGGANQYUAZ-CQSZACIVSA-N	396.399	2.236	0	1	GEAF	
CCOC(=O)c1c(SC)nn(-c2nc3cc(Cl)ccc3c(=O)n2C)c1N	53151335	CPTCBFSXPZTSJS-UHFFFAOYSA-N	393.856	2.253	0	1	GEAF	
COC(=O)C1=C[C@H]2C3=C(NCCN(C)C)c4ccccc4N(C)C3=N[C@@H]2C=C1	103159096	GJYQWSSTCFYAOL-IAGOWNOFSA-N	378.476	2.065	0	1	GEAF	
O=Cc1ccc(OCc2cn(CCN3C(=O)C(=O)c4cc(F)ccc43)nn2)cc1	103265195	UZFIHURIPWCLLP-UHFFFAOYSA-N	394.362	2.038	0	1	GEAF	
CC(=O)Oc1ccccc1C(=O)O[C@]12[C@H]3[C@H]4[C@@H]5C[C@@H]6[C@H]4[C@@H]3[C@@]3(OCCCN31)[C@H]6[C@H]52	169298994	WHDRGMZULYIHPP-GTWBIBPBSA-N	393.439	2.285	0	1	GEAF	
COc1ccc(NC(=O)N2CCN(C3=NC(=O)[C@H](c4ccccc4)O3)CC2)cc1	169346497	MZXOOMGJXLMFBG-SFHVURJKSA-N	394.431	2.499	0	1	GEAF	
C[C@]12CC[C@@H]3[C@@H]([C@H](O)C=C4C[C@@H](OS(N)(=O)=O)CC[C@@]43C)[C@H]1CCC2=O	253685785	MNBRJVRSKWOGDJ-FXZUXNBISA-N	383.510	2.078	0	1	GEAF	
O=C1C[C@H](Cc2nc3cnnc(O)c3[nH]2)c2c(Br)cccc2O1	587003352	KCMXCEHLTMWMMI-ZETCQYMHSA-N	375.182	2.456	0	1	GEAF	
N#CN1CC[C@H](NC(=O)c2cccc(N3CCC(Oc4ccccc4)CC3)n2)C1	1857607763	QOVKDRQPMRQLQR-KRWDZBQOSA-N	391.475	2.415	0	1	GEAF	
COCC(=O)N[C@@H]1CC[C@]2(C)CC[C@H]([C@H](C)C(=O)NC(C)C)[C@H](O)[C@@H]2[C@H]1C	2356344003	XVXKERGFCTWKOE-FQDYQZROSA-N	382.545	2.102	0	1	GEAF	
CCO[C@]12[C@@H]3CC(=O)N4c5ccccc5[C@@]5(CCN6CC(=CCO3)[C@H]1C[C@H]65)[C@@H]42	2356427348	WZEMGGLCLHIQAS-CBEKKBIVSA-N	378.472	2.252	0	1	GEAF	
CC(=O)O[C@@H]1[C@H](O)[C@H](C(C)C)[C@]2(C)CC[C@]3(C)CC[C@H](O)C4=C3[C@H](OC4=O)[C@H]12	2356445507	DJPDLYKJBRHWGX-UOGFSANKSA-N	392.492	2.364	0	1	GEAF	
COCCC(=O)NC[C@@H]1C=C(C)[C@H](CC(=O)N2CCOCC2)C[C@@H]1C(C)C	2356670669	YIYQIGUMTATPRP-GBESFXJTSA-N	380.529	2.243	0	1	GEAF	
C[C@]1(C(=O)Nc2ccc3c(c2)OCCO3)CSCC(=O)N1CC(F)(F)F	199231308	HCUKIFMCSWGEIT-OAHLLOKOSA-N	390.383	2.293	0	3	GEAF	
COc1cccc(N2CCN(CC(=O)NCc3c(F)cccc3F)CC2)c1	203475400	AVDVFTOEQNSGQG-UHFFFAOYSA-N	375.419	2.412	0	3	GEAF	
CC(=O)NCCNc1ncnc2ccc(-c3cccc(NS(C)(=O)=O)c3)cc12	4257394	UFOISNNFDATRKA-UHFFFAOYSA-N	399.476	2.216	0	1	GEAF	
Cc1cn([C@H]2C=C[C@@H](CO[P@@]3(=O)OCc4ccccc4O3)O2)c(=O)[nH]c1=O	6521123	NEUXRWCLDPVEMR-HUAKPZFZSA-N	392.304	2.033	0	1	GEAF	in-vivo
C[C@H]1C(=O)N(C)CCN1C(=O)c1cc(COc2cccc3cnccc23)on1	11813923	MBHGDKMSZUHBPV-ZDUSSCGKSA-N	380.404	2.105	0	1	GEAF	
NCCc1c[nH]c2ccc(C[C@H]3NC(=O)N(CCc4ccccc4)C3=O)cc12	13603464	XRVJOLNBJVOAFI-HXUWFJFHSA-N	376.460	2.375	0	1	GEAF	
Cc1c(CC(=O)N[C@@H](C(=O)O)c2ccc(O)cc2)c(=O)oc2c(C)c(O)ccc12	15955037	VLXWZXDKVGZGIS-GOSISDBHSA-N	397.383	2.306	0	1	GEAF	biogenic
CCOC(=O)c1cnc(-c2ccc(F)cc2)nc1N(C)N1C(=O)C=C(C)C1=O	29397993	GUOXXZUMWRAECQ-UHFFFAOYSA-N	384.367	2.126	0	1	GEAF	
CC(C)[C@@H](Nc1nc(Cl)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@@H]2C[C@@H]21)C1CC1	95557250	HKUIYLBPJCABPX-OIBVFGGESA-N	377.876	2.239	0	1	GEAF	
C[C@@H]1CCCC[C@@H]1C(=O)N1CCN(c2ccc(C(=O)NCCC3CC3)nn2)CC1	95593646	RIKHYRIMBJOBEB-AEFFLSMTSA-N	399.539	2.481	0	1	GEAF	
COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)C1CCC1)CC31CN(C)C1	95864702	JQXDDRXOSCCKHC-GOSISDBHSA-N	383.492	2.046	0	1	GEAF	
COc1ccc2c3c1O[C@H]1[C@@H](O)C=C[C@H]4[C@H](C2)N([C@@H]2CCCC[C@@H]2O)CC[C@@]341	100670082	ROOIUTBGPBWDFU-XMYKGWOESA-N	383.488	2.175	0	1	GEAF	
NC(=O)c1cccc([C@@H]2C[C@@H]3CC[C@H](C2)N3CCN(CC2CCC2)C(=O)CO)c1	117305485	XABANNJMJLFCEU-WKCHPHFGSA-N	399.535	2.117	0	1	GEAF	
Cc1ccc(C(=O)COC(=O)CCN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3[C@H]3C[C@@H]32)cc1	169693331	QRDAQKFOOJDULX-XSUYJZTMSA-N	393.439	2.164	0	1	GEAF	
C[C@@H]1CC[C@@]2(O)[C@]13CC(=O)[C@]1(C)[C@@](OC(=O)c4ccccc4)(OC[C@]21C)[C@@H]3O	238733864	BRRTVYWNYBLCAX-QXOMJCJKSA-N	386.444	2.077	0	1	GEAF	
COc1ccc2c(c1O)N(C(C)=O)[C@@H]1CC[C@]3(CCO)CCCN4CC[C@@]21[C@@H]43	238748551	DSRKDZUUODNKLW-KDXIVRHGSA-N	386.492	2.404	0	1	GEAF	
Clc1ncc(I)c2nc(C[C@@H]3COCCO3)[nH]c12	586910597	RJFJQHBENAWCJW-ZCFIWIBFSA-N	379.585	2.174	0	1	GEAF	
CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2c[nH]c(=N)[nH]c-2n1	586937702	MTKKYSFXNNPRSE-LBPRGKRZSA-N	380.861	2.046	0	1	GEAF	
N[C@H](Cc1nc2c(O)nc(S)nc2[nH]1)c1ccc(Br)cc1F	587145462	ZAQOXVCJBOJQCK-MRVPVSSYSA-N	384.234	2.491	0	1	GEAF	
COc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2cnn(C)c(=O)c2)nc1	1772578572	XSVFKOCSPYXPKB-ZBFHGGJFSA-N	379.420	2.132	0	1	GEAF	
COc1cc2c(cc1OC)[C@]13CCN4C[C@@H]5C=CO[C@@H]6CC(=O)N2[C@@H]1[C@@H]6[C@H]5C[C@H]43	2356766570	OQWSVCXXAYKEFF-BSCOCFFQSA-N	394.471	2.313	0	1	GEAF	
c1ccc(CCn2nnnc2CN2CCC(n3nnc4ccccc43)CC2)cc1	1380522	QUBNWHYIDLLZRH-UHFFFAOYSA-N	388.479	2.498	0	3	GEAF	
COc1cc([C@@H]2Oc3c(ccc4ccc(=O)oc34)O[C@H]2CO)cc(OC)c1O	13400490	FCWOSPBWIBSFOO-YJBOKZPZSA-N	386.356	2.389	0	1	GEAF	biogenic
COc1cc([C@H](O)[C@H]2COC[C@@H]2[C@@H](O)c2ccc(O)c(OC)c2)ccc1O	14435767	YHYNYYXJMLXPRQ-FEBSWUBLSA-N	376.405	2.145	0	1	GEAF	
COc1cc2c(c(OC)c1OC)CCCN1CCC3=C[C@H](O)[C@H](OC)C[C@]321	14929834	FVKSQSNYASVPRU-CDXJDZJCSA-N	375.465	2.266	0	1	GEAF	biogenic
CCCNC(=O)N1N=C(c2ccc(N)cc2)c2cc3c(cc2CC1=O)OCO3	27431659	KJOQELPONWNGEN-UHFFFAOYSA-N	380.404	2.254	0	1	GEAF	
O=C(Nc1ccc(OC(F)(F)F)cc1)c1nnnn1CCc1ccncc1	28822092	FEWMFGPKLALZPB-UHFFFAOYSA-N	378.314	2.462	0	1	GEAF	
CN(C)CCOC(=O)[C@@H]1CCCN(C(=O)c2coc(-c3cccs3)n2)C1	82081570	XRUNGYXMXOAAPM-CYBMUJFWSA-N	377.466	2.360	0	1	GEAF	
O[C@H]1[C@@H](O)CS[C@H]1n1cnc2c(NCc3cccc(F)c3)nc(Cl)nc21	202795483	YIHCHMWFJKTKDU-ITDIGPHOSA-N	395.847	2.198	0	1	GEAF	
N[C@H](C(=O)N1CC[C@@H](F)C1)[C@H]1CC[C@H](NC(=O)OCc2ccccc2)CC1	253695416	ZMAHAONSAMATES-TVFCKZIOSA-N	377.460	2.369	0	1	GEAF	
CC[C@@H]1CN(CCNC(=O)[C@H]2CCCCN2C)Cc2cc(OC)ccc2O1	299847776	DJLLMTWBGSCXQF-IEBWSBKVSA-N	375.513	2.269	0	1	GEAF	
NS(=O)(=O)c1ccc2nc(-c3cnn4cccc(Br)c34)[nH]c2c1	587007163	VZJYDGQGYUKANI-UHFFFAOYSA-N	392.238	2.288	0	1	GEAF	
CN(Cc1nc2ccc([C@H](N)N=O)cc2[nH]1)S(=O)(=O)c1ccc(F)cc1	587169729	IVNFMRAKHGMPCE-MRXNPFEDSA-N	377.401	2.246	0	1	GEAF	
COc1cc2c3c(c1)O[C@]1([C@H]4CO[C@@H]1CN(C(=O)OC(C)(C)C)C4)[C@@H](C2)C3=O	587443760	MAWDLHXUEHNDQD-GDCLHMSGSA-N	387.432	2.447	0	1	GEAF	
CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)N(C(C)C)C[C@@H]1C(=O)OCC	587474353	FJEJSHWDQFBTPL-VFNWGFHPSA-N	389.448	2.479	0	1	GEAF	
COC(=O)c1cc([C@]2(C(O)O)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1O	587527607	XEQXIUOJJHVKPV-QFIPXVFZSA-N	398.411	2.229	0	1	GEAF	
CC1(C)CCC[C@]2(C)[C@@H]1[C@H](OC(=O)C=CC=CC(=O)O)C=C1COC(=O)[C@]12O	2356424843	WWELYLJKFRXUQW-HZNDTHDVSA-N	390.432	2.156	0	1	GEAF	
COc1cc2c(cc1OC)[C@]13CCN4C[C@@H]5C=CO[C@@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@H]43	2356766573	OQWSVCXXAYKEFF-ZVOXUDNBSA-N	394.471	2.313	0	1	GEAF	
CC1(C)O[C@@]2([C@H]3C[C@@H](CC4=CN[C@@H](N)C=C4)C[C@@H](CO)C3)CC[C@H]1[C@@H](N)C2	2356852308	QOZQVKRYSUICKL-PYCROEEZSA-N	375.557	2.404	0	1	GEAF