smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CC[C@H](c1ccc(OC)cc1)[C@@H](CC)c1ccc(O)c(CN2CCCC2)c1	1758549	BNOMEMSSKXGONB-PKTZIBPZSA-N	367.533	5.684	10	50	FKCA	
COc1ccc2c(c1)S[C@@H](c1ccc(F)c(F)c1)CCN2CC1CC1	11785592	XRNYQCHIFODJDB-LJQANCHMSA-N	361.457	5.427	10	50	FKCA	
O=C(O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1C(F)(F)F)N2	111442378	RRCBSKUUIZVMFI-VBHSOAQHSA-N	359.347	5.230	10	50	FKCA	
CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1Cl)N2	169616974	IYZAIFSSWYYPKS-SIFCLUCFSA-N	353.849	5.343	10	50	FKCA	
CC(C)OP(=O)(OC(C)C)[C@H](Nc1ccccc1)c1ccccc1O	3878674	AMNADCFRUNJXII-IBGZPJMESA-N	363.394	5.546	10	50	FKCA	biogenic
CN1CCCc2cc(C=C3c4ccccc4C(=O)c4ccccc43)ccc21	3080762	LPBCQKJJOSGMAR-UHFFFAOYSA-N	351.449	5.202	10	50	FKCA	
CC(C)C[C@H]1CC(=O)Oc2c1c1nc3ccccc3nc1c1ccccc21	217869536	XWHXPHCIOXZGSQ-AWEZNQCLSA-N	356.425	5.375	10	50	FKCA	biogenic
CC(C)c1ccc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)cc1	13714582	DKMJWBVITQDKAV-BOPFTXTBSA-N	357.475	5.355	10	50	FKCA	
COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(F)c1)N2	111478173	COGZNDMCDPGNTO-QWQRMKEZSA-N	357.812	5.092	10	50	FKCA	
COc1cc([C@@H]2Nc3c(Cl)cccc3[C@H]3C=CC[C@@H]32)cc(OC)c1OC	4320904	DQBFJWJQHQGVAU-NJSLBKSFSA-N	371.864	5.192	10	50	FKCA	
O=[N+]([O-])c1ccc([C@@H]2Nc3ccc(-c4ccccc4)cc3[C@@H]3C=CC[C@@H]32)cc1	4984032	RHQFVKLDZXSRDJ-DPLHUUCSSA-N	368.436	6.088	10	50	FKCA	
O=C1/C(=C\c2ccc(Cl)cc2)SC(=S)N1c1ccc(Cl)cc1	1808396	PPAISLOZSAXDEK-NTEUORMPSA-N	366.294	5.399	10	50	FKCA	
O=[N+]([O-])c1cccc2c1N[C@H](c1ccccc1Br)[C@H]1CC=C[C@@H]21	101161403	KEGSEBMJECUZFC-PEBVRCNWSA-N	371.234	5.184	10	50	FKCA	
O=C(O)CCc1ccc(-c2cccs2)n1-c1ccccc1C(F)(F)F	1072302	NYHRIYVAMRNIMV-UHFFFAOYSA-N	365.376	5.242	10	50	FKCA	
Oc1ccc2ncccc2c1[C@H](Nc1ccccn1)c1ccc(Cl)cc1	8036190	LPRHGBLPNRTUEF-OAQYLSRUSA-N	361.832	5.190	10	50	FKCA	
CSc1ccc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)cc1	1160146	WQJXPSWULSWIAN-WJDWOHSUSA-N	357.525	5.123	10	50	FKCA	
CCOc1cc2c(c([N+](=O)[O-])c1)N[C@H](c1ccccc1Cl)[C@@H]1CC=C[C@@H]21	13615414	YXSBZOLMTQZULH-LPMFXHHGSA-N	370.836	5.473	10	50	FKCA	
O=C1/C(=C\C=C\C=C\Nc2ccccc2)SC(=S)N1C1CCCCC1	3114401	VGHSHRYSPWVWAU-UGJBXHAQSA-N	370.543	5.245	10	50	FKCA	
CN(C)c1ccc(/C=C/CN(CCc2ccccc2)Cc2ccccc2)cc1	4980500	YBBYTNOAKHXYCY-NTEUORMPSA-N	370.540	5.511	10	50	FKCA	
Cc1cccc(N2CCN(c3cccc(C)c3)C2c2ccc(N(C)C)cc2)c1	3878339	JYOQZZJXNIWIID-UHFFFAOYSA-N	371.528	5.395	10	50	FKCA	
COc1cccc2c1N[C@H](c1ccccc1Br)[C@@H]1CC=C[C@@H]21	13633919	YNUVXNCCCNRBDU-VFVRVIDISA-N	356.263	5.284	10	50	FKCA	
O=C1OC(c2ccc(-c3ccccc3)cc2)=C/C1=C/c1ccc([N+](=O)[O-])cc1	2826640	PHOZYHWBYVNQFS-ZHZULCJRSA-N	369.376	5.243	10	50	FKCA	
CN(C)c1ccc(C(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)cc1	3861553	OAZWDJGLIYNYMU-UHFFFAOYSA-N	373.544	5.065	10	50	FKCA	biogenic,in-vitro
Cc1ccc2ccc([C@@H](Nc3ccccn3)c3ccc(C)c(C)c3)c(O)c2n1	2086895	HJIZPOSWCTXYAR-QFIPXVFZSA-N	369.468	5.462	10	50	FKCA	
O=C(O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(Cl)c1Cl)N2	101636595	PNARUOLTJDSYIV-FTLABTOESA-N	360.240	5.518	10	50	FKCA	
Oc1ccc2ccccc2c1/N=N/c1ccc(/N=N/c2ccccc2)cc1	12358860	FHNINJWBTRXEBC-QSZPNPOGSA-N	352.397	7.376	10	50	FKCA	in-vitro
O=[N+]([O-])c1cccc2c1N[C@H](c1cccc(Cl)c1Cl)[C@H]1CC=C[C@@H]21	101639220	UFJADWJZTAAWOZ-RLFDGXBXSA-N	361.228	5.728	10	50	FKCA	
COc1ccc(-c2ccc(CCC(=O)O)n2-c2ccc3ccccc3c2)cc1	659984	RQWZTENWYFUBBZ-UHFFFAOYSA-N	371.436	5.323	10	50	FKCA	
C[C@H](c1ccccc1O)n1cnc(-c2ccccc2)c1-c1cccc(O)c1	65432261	WWMZMHFHRGEYKV-MRXNPFEDSA-N	356.425	5.238	10	50	FKCA	
CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(N)cc1	137663130	GBVGWEMDOXNWOP-UHFFFAOYSA-N	370.540	6.961	10	50	FKCA	
O=C(NC(=S)Nc1ccc(/N=N/c2ccccc2)cc1)c1ccccc1	18007538	MHSUAFYCAOSBHD-WCWDXBQESA-N	360.442	5.229	10	50	FKCA	
COc1cc(/C=C2\C=C(c3ccc(-c4ccccc4)cc3)OC2=O)ccc1O	2827757	UOROMTCBWPUTAK-DEDYPNTBSA-N	370.404	5.049	10	50	FKCA	
Cc1ccccc1/N=N/c1ccc(NC(=O)c2ccc(Cl)cc2)c(C)c1	3896965	AKKZDNNCIKZKGE-OCOZRVBESA-N	363.848	6.625	10	50	FKCA	
O=C(O)c1cc2c3c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N3C[C@H]1CC=C[C@@H]21	101114373	KFAJWONJZWSPHN-VTCZHREGSA-N	369.464	5.279	10	50	FKCA	
CC(C)CN1C(=O)/C(=C/c2cccc(Oc3ccccc3)c2)SC1=S	1103205	MZKZXFBFTKTGSG-PDGQHHTCSA-N	369.511	5.336	10	50	FKCA	
CCC1(CC)O[C@H](c2cc(Cl)cc(Cl)c2O)Nc2ccccc21	6659345	ZOUTWXHUFJXHHG-QGZVFWFLSA-N	352.261	5.855	10	50	FKCA	
CCCOc1ccc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)cc1	16115233	HYGGWPVJMNHTLA-LGMDPLHJSA-N	361.532	5.009	10	50	FKCA	
Cc1ccc(N2C(=O)/C(=C\c3c[nH]c4ccccc34)SC2=S)c(C)c1	19813624	HAJHFTHQIQXNBC-VCHYOVAHSA-N	364.495	5.191	10	50	FKCA	
Cc1ccccc1N1C(=O)/C(=C\c2c(F)cccc2Cl)SC1=S	5711702	SIJXPZQXCPPFNF-OQLLNIDSSA-N	363.866	5.193	10	50	FKCA	
CC1=NN(c2ccc(C)c(C)c2)C(=O)C1=CNc1cccc2ccccc12	1857524927	KFKQEJZUCACWEL-UHFFFAOYSA-N	355.441	5.175	10	50	FKCA	
O=S(=O)(O)c1cccc(/N=N/c2ccc(Nc3ccccc3)cc2)c1	12955947	HLISYGBBLOOIQF-QZQOTICOSA-N	353.403	5.092	10	50	FKCA	in-vitro
CCOc1cccc(/C=C2\C(=O)N(c3ccc4ccccc4c3)N=C2C)c1	15016362	MQVGKIFQOLFLPA-HMAPJEAMSA-N	356.425	5.045	10	50	FKCA	
O=[N+]([O-])c1cccc([C@@H]2Nc3ccc(Br)cc3[C@@H]3C=CC[C@H]32)c1	101124561	IVEAFNNHZDJDMZ-RKVPGOIHSA-N	371.234	5.184	10	50	FKCA	
Oc1ccc2ccccc2c1/N=N/c1ccc(OCc2ccccc2)cc1	4829272	GEMIMADESGFPFY-OCOZRVBESA-N	354.409	6.540	10	50	FKCA	
O=[N+]([O-])c1ccccc1[C@@H]1Nc2ccc(Br)cc2[C@@H]2C=CC[C@@H]21	970811	IRFHZNUHWKNUKZ-FHSNZYRGSA-N	371.234	5.184	10	50	FKCA	
CC(=O)N1c2ccc(Cl)cc2[C@@H]2C=CC[C@@H]2[C@@H]1c1cccc2ccccc12	4286307	MGIXZCJBXIHKQQ-IZIIKQMZSA-N	373.883	6.261	10	50	FKCA	aggregator
Oc1ccc(-c2nc3ccccc3s2)cc1CNCc1cccc(F)c1	299755294	FXVDICQHPHJQDE-UHFFFAOYSA-N	364.445	5.098	10	50	FKCA	
CC1=NN(c2ccccc2)C(=S)/C1=C/Nc1c(Cl)cccc1Cl	100371268	ZEBQBUQBNSWNBF-JLHYYAGUSA-N	362.285	5.513	10	50	FKCA	
CC(C)C(=O)N[C@@H](c1ccccc1Cl)c1c(O)ccc2ccccc12	1197082	CIWRDWAUUPZWBL-FQEVSTJZSA-N	353.849	5.060	10	50	FKCA	
CCCC(=O)N[C@H](c1ccc(Cl)cc1)c1c(O)ccc2ccccc12	2872965	OBSLLBGZNQWPID-OAQYLSRUSA-N	353.849	5.205	10	50	FKCA	
COc1cccc(/C=C2/C=C(c3ccc4cc(C)ccc4c3)OC2=O)c1OC	1201904	DGCABZPBCKWUGF-MOSHPQCFSA-N	372.420	5.147	10	50	FKCA	
COc1ccc(Cl)c2c1N[C@H](c1cccc([N+](=O)[O-])c1)[C@H]1CC=C[C@H]21	4867566	VFMDMFIWJNIQKU-SUNYJGFJSA-N	356.809	5.083	10	50	FKCA	
O=[N+]([O-])c1ccc([C@@H]2Nc3c(ccc(Cl)c3Cl)[C@@H]3C=CC[C@@H]32)cc1	101125405	ZPJKTDFWUDJHPJ-IGCXYCKISA-N	361.228	5.728	10	50	FKCA	
O=C(N[C@@H](c1ccccc1)c1c(O)ccc2ccccc12)c1ccccc1	754562	LJPQIKDPFBLLAL-QHCPKHFHSA-N	353.421	5.065	10	50	FKCA	
Cc1ccc(N(Cc2c(O)ccc3ccccc23)C(=O)c2ccco2)cc1	4504556	VDHLCQUKNDHRDU-UHFFFAOYSA-N	357.409	5.294	10	50	FKCA	
Cc1ccccc1N1C(=O)/C(=C/c2c(F)cccc2Cl)SC1=S	1800683	SIJXPZQXCPPFNF-DHDCSXOGSA-N	363.866	5.193	10	50	FKCA	
O=[N+]([O-])c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(Cl)c1Cl)N2	169616980	PHBVSCMSLCWYNX-SOZUMNATSA-N	361.228	5.728	10	50	FKCA	
COc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Br)cc1)N2	169617004	YICQHNQSRVIXEH-JTDSTZFVSA-N	356.263	5.284	10	50	FKCA	
O=C(O)c1cc2c3c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N3C[C@@H]1CC=C[C@H]21	245231848	KFAJWONJZWSPHN-DERWQMDGSA-N	369.464	5.279	10	50	FKCA	
O=C(Nc1ccc(/N=N/c2ccccc2)cc1)c1ccc(Cl)cc1Cl	18182822	WAYKDEAVPKRMPW-WCWDXBQESA-N	370.239	6.661	10	50	FKCA	
O=[N+]([O-])c1ccc(N[C@H](c2ccccc2)c2ccc3cccnc3c2O)cc1	3998848	NIPBFFNWSFCRBD-HXUWFJFHSA-N	371.396	5.050	10	50	FKCA	
CC(=C\c1ccccc1)/C=C1/SC(=S)N(c2cccc(Cl)c2)C1=O	4471736	NYBQQMPPFKPEFO-YAXRHUFXSA-N	371.914	5.692	10	50	FKCA	
O=C(O)c1ccc([C@@H]2Nc3c(-c4ccccc4)cccc3[C@H]3C=CC[C@H]32)cc1	4168322	KIOLLIIPTYWXJD-XJUOHMSHSA-N	367.448	5.878	10	50	FKCA	
C[C@H]1CCCN(c2ccc(/N=N/c3ccc(Br)cc3)cc2)C1	4774703	OBRCCIFDDNEESO-PXKHIBQASA-N	358.283	6.101	10	50	FKCA	
COC(=O)c1ccc([C@@H]2Nc3c(ccc4ccccc34)[C@H]3C=CC[C@H]32)cc1	4810898	AUYZUYKXLPVXBH-VWPQPMDRSA-N	355.437	5.453	10	50	FKCA	
O=[N+]([O-])c1cccc2c1N[C@H](c1cccc(Cl)c1Cl)[C@@H]1CC=C[C@@H]21	15938449	UFJADWJZTAAWOZ-AGKHESDQSA-N	361.228	5.728	10	50	FKCA	
CC1=NN(c2ccccc2)C(=O)/C1=C\c1cccc(Oc2ccccc2)c1	13300935	JNNHMNWUDAXVNG-JWGURIENSA-N	354.409	5.285	10	50	FKCA	
CCCC[C@@H](CC)CN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S	2678054	XLQDEBHFCVYHNB-YYTPVVGHSA-N	367.967	5.758	10	50	FKCA	
CCCC(=O)N[C@@H](c1ccc(Cl)cc1)c1c(O)ccc2ccccc12	2872964	OBSLLBGZNQWPID-NRFANRHFSA-N	353.849	5.205	10	50	FKCA	
Nc1ccc(Oc2ccc3nc4c(nc3c2)-c2cccc3cccc-4c23)cc1	1149200	ZIEQBFHZBJZXCH-UHFFFAOYSA-N	361.404	5.805	10	50	FKCA	
O=[N+]([O-])c1cccc2c1N[C@H](c1ccccc1Br)[C@@H]1CC=C[C@@H]21	13633900	KEGSEBMJECUZFC-QFSBIZTOSA-N	371.234	5.184	10	50	FKCA	
Clc1cccc2c1N[C@H](c1ccc(OC3CSC3)cc1)[C@H]1CC=C[C@H]21	4181770	PMSJPCTYTIHYLR-ABSDTBQOSA-N	369.917	5.661	10	50	FKCA	
CN(C)c1ccc([C@H]2Nc3ccccc3N=C3CC(C)(C)CC(O)=C32)cc1	100628874	CKUWEQWABYOBQT-JOCHJYFZSA-N	361.489	5.624	10	50	FKCA	
Clc1cc(Cl)c2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1Cl)N2	169617087	SQLKQUXTJALEHP-PEBVRCNWSA-N	350.676	6.473	10	50	FKCA	
CC(C)C(=O)N[C@H](c1ccc(C(C)C)cc1)c1ccc2ccccc2c1O	2997514	IDSZEOVUYLOAOW-JOCHJYFZSA-N	361.485	5.530	10	50	FKCA	
O=[N+]([O-])c1ccc(/N=N/c2ccc3c(c2)c2ccccc2n3CCO)cc1	4521034	UAWDYRPQXCAZKV-QURGRASLSA-N	360.373	5.110	10	50	FKCA	
Oc1ccc2ccccc2c1/N=N/c1c(O)c(Cl)cc(Cl)c1Cl	4949761	HQFULAWOKCSUSK-QZQOTICOSA-N	367.619	6.627	10	50	FKCA	
O=[N+]([O-])c1ccccc1[C@@H]1Nc2c(Cl)ccc(Cl)c2[C@H]2C=CC[C@H]21	4827923	GUVRLNWUUKGYCY-WVQJBOLRSA-N	361.228	5.728	10	50	FKCA	
Brc1ccc(/N=N/Nc2ccc(Br)cc2)cc1	17887589	ZGLNQXMMFSBMRV-UHFFFAOYSA-N	355.033	5.322	10	50	FKCA	
Cc1ccc([C@@H](NC(=O)c2ccccc2)c2c(O)ccc3ccccc23)cc1	2870074	LIZHBHDJURJEQM-XMMPIXPASA-N	367.448	5.373	10	50	FKCA	
CC(C)CC(=O)N[C@H](c1ccccc1Cl)c1c(O)ccc2ccccc12	801054	CKMNSLDZNGQQFK-JOCHJYFZSA-N	367.876	5.451	10	50	FKCA	
CCc1ccc([C@H](Nc2ccccn2)c2ccc3ccc(C)nc3c2O)cc1	2073889	AJSVECNNEHJUNH-QFIPXVFZSA-N	369.468	5.408	10	50	FKCA	
CC(C)CC(=O)N[C@H](c1ccc(Cl)cc1)c1c(O)ccc2ccccc12	801052	ZKKAFFUMPPPNBY-JOCHJYFZSA-N	367.876	5.451	10	50	FKCA	
C/C(=C1\SC(=S)N(CNc2ccccc2Cl)C1=O)c1ccccc1	334160993	QKVMXNDCRMOACD-FOWTUZBSSA-N	374.918	5.001	10	50	FKCA	
O=C(O)c1cc2cc(OCc3ccccc3)c(OCc3ccccc3)cc2o1	4948716	YRLSAQJWZXRBPE-UHFFFAOYSA-N	374.392	5.289	10	50	FKCA	
O=C(Nc1ccc2c3c1[C@@H]1C=CC[C@@H]1CN3C[C@@H]1CC=C[C@H]21)c1ccccc1	245235638	MNBORNQQBDLOFQ-ZGXWSNOMSA-N	368.480	5.092	10	50	FKCA	
Cc1ccccc1N1N=C(c2ccccc2)C[C@H]1c1ccc(N(C)C)cc1	4851934	ZQAADYRYOPRBDJ-DEOSSOPVSA-N	355.485	5.417	10	50	FKCA	
O=C(O)c1cc2c3c(c1)[C@@H]1C=CC[C@H]1CN3[C@@H](c1ccccc1)[C@H]1CC=C[C@@H]21	245231849	KFAJWONJZWSPHN-JMQPUURYSA-N	369.464	5.279	10	50	FKCA	
C[N+](C)(C)c1ccc2cccc(/N=N/c3ccc(O)c4ccccc34)c2c1	4823201	SCEGVEUJMBSDIG-UHFFFAOYSA-O	356.449	6.311	10	50	FKCA	
CC(C)c1ccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1	13940155	GOCTXKZZCFSVLZ-PDGQHHTCSA-N	353.512	5.211	10	50	FKCA	
COc1ccc(Cl)cc1-n1c(CCC(=O)O)ccc1-c1ccc(C)cc1	2251728	DSIRWPHJNNKHNE-UHFFFAOYSA-N	369.848	5.132	10	50	FKCA	
Cc1ccc(C)c(C2=C/C(=C3\c4ccccc4-c4ncccc43)C(=O)O2)c1	1156478	TVOCLYXRJGHBCC-XDOYNYLZSA-N	351.405	5.079	10	50	FKCA	
O=[N+]([O-])c1cccc2c1N[C@H](c1ccc(Br)cc1)[C@H]1CC=C[C@@H]21	101123384	OOLONEOOAVEPSE-JKIFEVAISA-N	371.234	5.184	10	50	FKCA	
Cc1c(C(=O)O)ccc2c1N[C@H](c1cccc(C(F)(F)F)c1)[C@@H]1CC=C[C@@H]21	111441453	OBZCGXZLOPIXLW-GPMSIDNRSA-N	373.374	5.539	10	50	FKCA	
[O-]/[N+](=N\c1ccc(Br)cc1)c1ccc(Br)cc1	4750790	IPXUSIUMPSGLFK-NXVVXOECSA-N	356.017	5.137	10	50	FKCA	
COc1ccccc1N1C(=O)/C(=C\c2ccc(C(C)C)cc2)SC1=S	1029030	NWWSGDDHRDJING-LDADJPATSA-N	369.511	5.224	10	50	FKCA	
C[C@H]1CN(c2ccc(/N=N/c3ccc(Br)cc3)cc2)C[C@H](C)O1	4774715	IWGLIGZYIZOBGD-NBDPHERISA-N	374.282	5.478	10	50	FKCA	
CC[C@H](c1ccc(OC)cc1)[C@H](CC)c1ccc(O)c(CN2CCCC2)c1	1758552	BNOMEMSSKXGONB-DHIUTWEWSA-N	367.533	5.684	10	50	FKCA	
CCCC(=O)N[C@@H](c1ccccc1Cl)c1c(O)ccc2ccccc12	855797	ZNZNMOOJUMIKCL-NRFANRHFSA-N	353.849	5.205	10	50	FKCA	
O=C(O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1Cl)N2	49034619	DLSUYVWZOWUVHV-VBHSOAQHSA-N	360.240	5.518	10	50	FKCA	
Cc1ccccc1C(=O)C[C@@H](c1ccccc1)C1C(=O)c2ccccc2C1=O	100372166	OSBATVKOAGGRFJ-NRFANRHFSA-N	368.432	5.047	10	50	FKCA	
O=[N+]([O-])c1cccc([C@@H]2Nc3ccc(Br)cc3[C@@H]3C=CC[C@@H]32)c1	101124558	IVEAFNNHZDJDMZ-VKJFTORMSA-N	371.234	5.184	10	50	FKCA	
Clc1cccc2c1N[C@H](c1ccc(OC3CSC3)cc1)[C@H]1CC=C[C@@H]21	871791	PMSJPCTYTIHYLR-FUHIMQAGSA-N	369.917	5.661	10	50	FKCA	
Clc1ccc(-c2nc(-c3ccc(-n4cccc4)cc3)no2)cc1Cl	4623228	CKLIIARBYNUYQW-UHFFFAOYSA-N	356.212	5.501	10	50	FKCA	
Cc1ccc(N2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)cc1Cl	1136110	NIPTVAJITLBHGF-NVNXTCNLSA-N	363.866	5.193	10	50	FKCA	
Cc1cccc(N[C@H](c2ccc(F)cc2)c2ccc3ccc(C)nc3c2O)n1	5102423	DGBXBTUKPYXYLT-OAQYLSRUSA-N	373.431	5.293	10	50	FKCA	
Cc1[nH]c2ccccc2c1/C=C1\SC(=S)N(c2ccc(F)cc2)C1=O	1159293	ZCNUDIKHIRJMHZ-YVLHZVERSA-N	368.458	5.021	10	50	FKCA	
CC[C@H]1CCCCN1Cc1cc(-c2nc3ccccc3s2)ccc1O	14989552	ICOJXYJVENTMSL-KRWDZBQOSA-N	352.503	5.433	10	50	FKCA	
O=C(O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc(Cl)c1Cl)N2	222230631	PNARUOLTJDSYIV-FMTVUPSXSA-N	360.240	5.518	10	50	FKCA	
O=C1c2ccccc2C(=O)c2c1c(O)c1ccccc1c2Nc1ccccc1	4981633	PPQJDRDHTNJJPR-UHFFFAOYSA-N	365.388	5.064	10	50	FKCA	
CCCC[C@@H](CC)CN1C(=O)/C(=C/c2ccccc2F)SC1=S	2678112	MTSHBUABDZBGKC-YYTPVVGHSA-N	351.512	5.243	10	50	FKCA	
CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1)N2	222222062	FJDCMXSYGALZTF-FUHIMQAGSA-N	353.849	5.343	10	50	FKCA	
O=[N+]([O-])c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc(Cl)c1Cl)N2	13575392	PHBVSCMSLCWYNX-SEDUGSJDSA-N	361.228	5.728	10	50	FKCA	
CC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(Cl)c1Cl)N2	169617676	HOJYHCMZZJYMJX-CKNLXJGOSA-N	358.268	6.023	10	50	FKCA	
COc1cc(Nc2c3ccccc3nc3ccccc23)cc(OC)c1OC	4168512	USPZQLNIMWQTEE-UHFFFAOYSA-N	360.413	5.157	10	50	FKCA	
O=C(O)c1ccc([C@@H]2Nc3c(Cl)cc(Cl)cc3[C@@H]3C=CC[C@H]32)cc1	13389214	IQZKBDLGUPNMAH-CPUCHLNUSA-N	360.240	5.518	10	50	FKCA	
Cc1cc(Cl)ccc1OCc1nc(-c2ccc(-n3cccc3)cc2)no1	1423476	FQRLLTPNOBATOD-UHFFFAOYSA-N	365.820	5.068	10	50	FKCA	
CC(=O)N1c2ccc3ccccc3c2[C@@H]2C=CC[C@H]2[C@@H]1c1ccc(F)cc1	4348245	RLVZOWSPGCXTFC-LGVFNWMJSA-N	357.428	5.746	10	50	FKCA	
CCc1ccc([C@@H](Nc2cc(C)ccn2)c2ccc3cccnc3c2O)cc1	2874297	BLRVDQSWWDLAAA-JOCHJYFZSA-N	369.468	5.408	10	50	FKCA	
Cc1ccccc1NC1(c2ccccc2Cl)C(=O)c2ccccc2C1=O	4981491	QKPZFKODLMHTMB-UHFFFAOYSA-N	361.828	5.035	10	50	FKCA	
CN(C)c1ccc([C@@H]2Nc3ccccc3N=C3CC(C)(C)CC(O)=C32)cc1	100628872	CKUWEQWABYOBQT-QFIPXVFZSA-N	361.489	5.624	10	50	FKCA	
COC(=O)c1ccc([C@@H]2Nc3c(cccc3C(F)(F)F)[C@@H]3C=CC[C@@H]32)cc1	4172121	PVDJZHCWTWIQEG-VKJFTORMSA-N	373.374	5.319	10	50	FKCA	
Cc1cccc(N2C(=O)/C(=C/c3ccccc3Cl)SC2=S)c1C	1086563	BKACWCDFNLJKBM-YBEGLDIGSA-N	359.903	5.363	10	50	FKCA	
CCNc1cc(Nc2cccc(C)c2)c2c3c(onc13)-c1ccccc1C2=O	4593668	MGLQWTCUYKFPFP-UHFFFAOYSA-N	369.424	5.523	10	50	FKCA	
COc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccc(Cl)cc1)[C@H]1CC=C[C@@H]21	13615527	MQFPOFQOAUDEHK-RVKKMQEKSA-N	356.809	5.083	10	50	FKCA	
O=[N+]([O-])c1cc([C@@H]2Nc3ccc4ccccc4c3[C@H]3C=CC[C@@H]32)ccc1O	36046431	NSVOOKQOVSUPIS-HOIFWPIMSA-N	358.397	5.280	10	50	FKCA	
O=[N+]([O-])c1ccc([C@@H]2Nc3ccc(Br)cc3[C@H]3C=CC[C@H]32)cc1	662669	RZZXEWLABHHSFS-DAYGRLMNSA-N	371.234	5.184	10	50	FKCA	
CCC1(CC)O[C@@H](c2cc(Cl)cc(Cl)c2O)Nc2ccccc21	6659344	ZOUTWXHUFJXHHG-KRWDZBQOSA-N	352.261	5.855	10	50	FKCA	
Cc1ccc(N=Nc2ccc(O)c(N=Nc3ccc(C)cc3C)c2O)c(C)c1	254766743	WMIICSQDNIXFKP-UHFFFAOYSA-N	374.444	7.162	10	50	FKCA	
COc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Br)cc1)N2	3880395	YICQHNQSRVIXEH-MDZRGWNJSA-N	356.263	5.284	10	50	FKCA	
O=C1/C(=C\c2cccc(Cl)c2)SC(=S)N1c1ccc(Cl)cc1	2575846	ZDXKRKMKDMPTLB-NTEUORMPSA-N	366.294	5.399	10	50	FKCA	
O=C(O)c1ccc([C@@H]2Nc3c(-c4ccccc4)cccc3[C@H]3C=CC[C@@H]32)cc1	4168319	KIOLLIIPTYWXJD-FUDKSRODSA-N	367.448	5.878	10	50	FKCA	
O=C(O)c1ccc([C@@H]2Nc3c(-c4ccccc4)cccc3[C@@H]3C=CC[C@H]32)cc1	12628291	KIOLLIIPTYWXJD-XPNTWCBSSA-N	367.448	5.878	10	50	FKCA	
Cc1cc(/C=C2/C(=O)Nc3cc(Cl)ccc32)c(C)n1-c1ccc(F)cc1	1423280	NSVQXIRDFVCMAH-VXLYETTFSA-N	366.823	5.379	10	50	FKCA	
Cc1ccc2ccc([C@H](Nc3ccccn3)c3ccc(C)c(C)c3)c(O)c2n1	2086896	HJIZPOSWCTXYAR-JOCHJYFZSA-N	369.468	5.462	10	50	FKCA	
CC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cc2ccccc2[nH]1	102570346	OTGSBEGCPUMSKZ-OQLLNIDSSA-N	370.239	5.281	10	50	FKCA	
CCOc1cc2c(c([N+](=O)[O-])c1)N[C@H](c1ccccc1Cl)[C@H]1CC=C[C@H]21	4852921	YXSBZOLMTQZULH-NJSLBKSFSA-N	370.836	5.473	10	50	FKCA	
O=C1/C(=C\c2ccccc2)SC(=S)N1c1cccc(C(F)(F)F)c1	1194268	MZPMGVZXABXJQJ-NTEUORMPSA-N	365.401	5.111	10	50	FKCA	
COc1cccc2c1N[C@H](c1ccc(Br)cc1)[C@H]1CC=C[C@H]21	4697685	KALBJMORMNIBFA-RLFYNMQTSA-N	356.263	5.284	10	50	FKCA	
CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1)N2	4798354	FJDCMXSYGALZTF-UWVAXJGDSA-N	353.849	5.343	10	50	FKCA	
Cc1nc2cc(NCc3ccc(N(C)C)cc3)ccc2n1Cc1ccccc1	845782	WDIMWNNVBOWLIT-UHFFFAOYSA-N	370.500	5.071	10	50	FKCA	
CC1=NN(c2ccccc2)C(=O)[C@@H]1/N=N/c1ccc(Nc2ccccc2)cc1	102148325	SUDMOXWVGPFARD-JOWZZTKRSA-N	369.428	5.305	10	50	FKCA	
O=C1CCCc2c1cc(-c1ccccc1)n2-c1ccc(Br)cc1	4051515	GNAMKXUAZULBOD-UHFFFAOYSA-N	366.258	5.426	10	50	FKCA	
Cc1ccnc(N[C@@H](c2cccs2)c2ccc3ccc(C)nc3c2O)c1	54621935	UHTHUGWXOOBIEP-HXUWFJFHSA-N	361.470	5.215	10	50	FKCA	
CC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Br)cc1)N2	169682748	HMRIBYMYZOWQDH-MBOZVWFJSA-N	368.274	5.478	10	50	FKCA	
O=C(Nc1ccc(/N=N/c2ccccc2)cc1)c1ccc(Cl)c(Cl)c1	4794889	FYBMWUFPWBMRHD-WCWDXBQESA-N	370.239	6.661	10	50	FKCA	
Cc1cccc(N2C(=O)/C(=C/c3c(F)cccc3Cl)SC2=S)c1	1086553	CDYFYSKZXYDUHZ-DHDCSXOGSA-N	363.866	5.193	10	50	FKCA	
O=[N+]([O-])c1cc([C@@H]2Nc3ccc4ccccc4c3[C@H]3C=CC[C@H]32)ccc1O	20110040	NSVOOKQOVSUPIS-JKSBSHDWSA-N	358.397	5.280	10	50	FKCA	
O=[N+]([O-])c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(Br)c1)N2	4003768	FOSRYHLDXZPQHJ-VKJFTORMSA-N	371.234	5.184	10	50	FKCA	
COc1ccc(Cl)c2c1N[C@H](c1cccc([N+](=O)[O-])c1)[C@@H]1CC=C[C@@H]21	13389409	VFMDMFIWJNIQKU-HBUWYVDXSA-N	356.809	5.083	10	50	FKCA	
CSc1ccc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)cc1	1160048	WGFWNLXMHLEPBY-WJDWOHSUSA-N	357.525	5.123	10	50	FKCA	
CC(C)(C)c1cc(C2Nc3cccc4cccc(c34)N2)cc(C(C)(C)C)c1O	1833114	WBSRWPYIVUJCCR-UHFFFAOYSA-N	374.528	6.677	10	50	FKCA	
COc1ccc(N2C(=O)/C(=C\c3ccc(C(C)C)cc3)SC2=S)cc1	1013901	IHIWUYAAILPFJB-LDADJPATSA-N	369.511	5.224	10	50	FKCA	
CSc1ccc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)cc1	1159474	PARAVQZJEWXLBR-WJDWOHSUSA-N	357.525	5.123	10	50	FKCA	
COc1ccc2nc(/N=N/c3ccc(N(C)c4ccccc4)cc3)sc2c1	5319642	SHHHJGUJXWQWOF-WCWDXBQESA-N	374.469	6.488	10	50	FKCA	
COc1ccc2c(c1)S[C@H](c1ccc(F)c(F)c1)CCN2CC1CC1	11785591	XRNYQCHIFODJDB-IBGZPJMESA-N	361.457	5.427	10	50	FKCA	
COc1ccc(C)c2c1N[C@H](c1ccc(Br)cc1)[C@H]1CC=C[C@H]21	16425048	HTSZQRISIGVTKT-TXPKVOOTSA-N	370.290	5.593	10	50	FKCA	
Cc1ccccc1/N=N/c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c(C)c1	4948110	MSLDBVVRFYNHCX-WCWDXBQESA-N	374.400	5.879	10	50	FKCA	
CC(C)c1ccc(/C=C2/SC(=S)N(CCc3ccccc3)C2=O)cc1	33406234	RIDUNRYCAJNVAQ-XMHGGMMESA-N	367.539	5.254	10	50	FKCA	
Cc1ccccc1C(=O)C[C@H](c1ccccc1)C1C(=O)c2ccccc2C1=O	100372170	OSBATVKOAGGRFJ-OAQYLSRUSA-N	368.432	5.047	10	50	FKCA	
CCc1cccc(NCc2c(O)ccc3c(-c4ccccc4)cc(=O)oc23)c1	1875356282	NNXAAXIUMHTBES-UHFFFAOYSA-N	371.436	5.340	10	50	FKCA	
O=[N+]([O-])c1ccc([C@@H]2Nc3c(ccc(Cl)c3Cl)[C@H]3C=CC[C@H]32)cc1	831455	ZPJKTDFWUDJHPJ-AHIWAGSCSA-N	361.228	5.728	10	50	FKCA	
COc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccccc1Cl)[C@H]1CC=C[C@H]21	4132314	JXFRGZVADRPIBI-LXIYXOSZSA-N	356.809	5.083	10	50	FKCA	
O=C(Nc1ccccc1)c1cc2ccccc2c(/N=N/c2ccccc2)c1O	100053264	WYUHTVDGHDRPDW-OCEACIFDSA-N	367.408	6.213	10	50	FKCA	
CC(C)(C)c1cc(C(=S)Nc2ccc(N)cc2)cc(C(C)(C)C)c1O	5284257	PVNYOPBJSSGMDR-UHFFFAOYSA-N	356.535	5.357	10	50	FKCA	
CC(C)(C)c1ccc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)cc1	2682567	ZMNJVSWBHZPZGC-GHRIWEEISA-N	359.560	5.518	10	50	FKCA	
O=S(=O)(O)c1ccc(/N=N/c2ccc(Nc3ccccc3)cc2)cc1	12405205	LXEMVZAXEIKMOU-QZQOTICOSA-N	353.403	5.092	10	50	FKCA	in-vitro
Cc1cc(/C=C2\SC(=O)NC2=O)c(C)n1-c1ccc(-c2ccccc2)cc1	13635252	FLXJSXUCSQKTMW-MOSHPQCFSA-N	374.465	5.085	10	50	FKCA	
CCN1/C(=C\C(=S)c2ccccc2)Sc2c1ccc1c2CCCC1	100562712	FQLNRVGYPGRNLO-XSFVSMFZSA-N	351.540	5.757	10	50	FKCA	
COc1ccc([C@H]2C[C@@](C)(c3ccc(OC)cc3)Nc3ccccc3N2)cc1	4728571	IWKLXNHIGJNDLO-RPWUZVMVSA-N	374.484	5.588	10	50	FKCA	
CCCN1C(=O)/C(=C/c2cccc(Oc3ccccc3)c2)SC1=S	1103543	VPQSXLQWWYJNTJ-LGMDPLHJSA-N	355.484	5.090	10	50	FKCA	
CCCC[C@H](CC)CN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S	2678056	XLQDEBHFCVYHNB-RERGGYADSA-N	367.967	5.758	10	50	FKCA	
CCc1ccc([C@H](Nc2cc(C)ccn2)c2ccc3cccnc3c2O)cc1	2874296	BLRVDQSWWDLAAA-QFIPXVFZSA-N	369.468	5.408	10	50	FKCA	
Oc1ccc(Cl)cc1C1=NN(c2ccccc2)[C@H](c2ccc(F)cc2)C1	5737395	UPHBCHJNPJZJKB-FQEVSTJZSA-N	366.823	5.540	10	50	FKCA	biogenic
CC(C)OP(=O)(OC(C)C)[C@@H](Nc1ccccc1)c1ccccc1O	2469036	AMNADCFRUNJXII-LJQANCHMSA-N	363.394	5.546	10	50	FKCA	biogenic
COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc3ccccc13)N2	4854853	VGGQQFMDNDVTNO-RFWXGWTQSA-N	355.437	5.453	10	50	FKCA	
CC1=NN(c2ccccc2)C(=O)[C@@H]1/N=N/c1ccc(Oc2ccccc2)cc1	102148562	XDMFJQPCEZQBAF-VANSDEMISA-N	370.412	5.354	10	50	FKCA	
Cc1ccc(C2=NC(=O)/C(=C/c3ccc(-c4ccc(F)cc4)o3)S2)cc1	670324	MYOCCJLMEGNNRY-UNOMPAQXSA-N	363.413	5.455	10	50	FKCA	
Cc1ccc2ccc([C@@H](Nc3ccccn3)c3ccccc3C)c(O)c2n1	1171627	LIRXDQGKAKZWIS-QFIPXVFZSA-N	355.441	5.154	10	50	FKCA	
O=C1N=C(N2CCCCC2)S/C1=C/c1ccc(-c2cccc(Cl)c2)o1	1182433	SPJZBMKNXYHCII-SFQUDFHCSA-N	372.877	5.056	10	50	FKCA	
O=[N+]([O-])c1ccc(/N=N/c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1	3877075	FCBRDYPMZCJUAG-OCOZRVBESA-N	369.384	6.067	10	50	FKCA	
O=C(O)c1ccc([C@@H]2Nc3c(-c4ccccc4)cccc3[C@@H]3C=CC[C@@H]32)cc1	59267127	KIOLLIIPTYWXJD-GIWBLDEGSA-N	367.448	5.878	10	50	FKCA	
CCCCCCN1C(=O)/C(=C\c2ccc(Cl)cc2Cl)SC1=S	5502039	ITGNUYKPBGPZJP-NTEUORMPSA-N	374.358	5.775	10	50	FKCA	
COc1ccc(Cl)cc1NC(=O)c1cccc(-n2c(C)ccc2C)c1	991825	IRFKFGWDVFQPQH-UHFFFAOYSA-N	354.837	5.008	10	50	FKCA	
O=C1/C(=C/c2c[nH]c3ccccc23)SC(=S)N1c1cccc(Cl)c1	19618555	HAVBCOMDSJRLEN-PXNMLYILSA-N	370.886	5.227	10	50	FKCA	
CCNc1cc(Nc2ccccc2)c2c3c(onc13)-c1ccccc1C2=O	1215794	COGWHXZSZMLINQ-UHFFFAOYSA-N	355.397	5.215	10	50	FKCA	
Cc1ccc(NC2(c3ccc(Cl)cc3)C(=O)c3ccccc3C2=O)cc1	1197528	HXUWEGJHEPLUII-UHFFFAOYSA-N	361.828	5.035	10	50	FKCA	
CCCCCN1C(=O)/C(=C\c2ccc(Cl)cc2Cl)SC1=S	5502642	MGYKYQLOGVKAQV-MDWZMJQESA-N	360.331	5.385	10	50	FKCA	
Cc1ccc(C)n1-c1cccc(C(=O)Nc2ccccc2C(F)(F)F)c1	1140026	QPOGFEVRCCIRJU-UHFFFAOYSA-N	358.363	5.365	10	50	FKCA	
Cc1ccc2cc(C3=C/C(=C/c4cccc([N+](=O)[O-])c4)C(=O)O3)ccc2c1	5023279	YDDIKTIGSHFFDO-GRSHGNNSSA-N	357.365	5.038	10	50	FKCA	
O=[N+]([O-])c1cc(Br)c2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1)N2	13632969	DXLGAURBTCWZSW-CKEIUWERSA-N	371.234	5.184	10	50	FKCA	
O=C(COc1ccc(Cl)cc1)Nc1ccc(/N=N/c2ccccc2)cc1	5004115	ORFGSDMOGNFMTP-WCWDXBQESA-N	365.820	5.773	10	50	FKCA	
Oc1c([C@H](Nc2ccccn2)c2ccsc2)cc(Cl)c2cccnc12	19849919	AQIHMRHNAMZDSP-QGZVFWFLSA-N	367.861	5.252	10	50	FKCA	
C[Si](C)(C)c1ccc2c(N=Nc3ccc(C(=O)O)cc3)c(O)ccc2c1	254384728	FMKDFXDNNPIQKC-UHFFFAOYSA-N	364.477	5.204	10	50	FKCA	
CCc1ccc(-n2nc(C)c(N=Nc3ccc(Cl)c(Cl)c3)c2C)cc1	252448795	QZNKCRGCUBHCEV-UHFFFAOYSA-N	373.287	6.774	10	50	FKCA	
COc1cccc2c1N[C@H](c1ccc(Br)cc1)[C@H]1CC=C[C@@H]21	826092	KALBJMORMNIBFA-RVKKMQEKSA-N	356.263	5.284	10	50	FKCA	
O=C(Nc1sc(-c2ccccc2)cc1C(=O)O)c1ccccc1Cl	978497	PTYRUEUDMCVXIR-UHFFFAOYSA-N	357.818	5.019	10	50	FKCA	
COc1ccc(C)c2c1N[C@H](c1ccc(Br)cc1)[C@@H]1CC=C[C@@H]21	1461892	HTSZQRISIGVTKT-GPMSIDNRSA-N	370.290	5.593	10	50	FKCA	
Cc1cc(C)c([C@H](Nc2ccccn2)c2ccc3cccnc3c2O)c(C)c1	2745556	JEXROXHHDBQUAA-HSZRJFAPSA-N	369.468	5.462	10	50	FKCA	
O=[N+]([O-])c1ccc([C@@H]2Nc3cc(Cl)cc(Cl)c3[C@H]3C=CC[C@@H]32)cc1	4268907	OMFZKADNEBEVIC-DEYYWGMASA-N	361.228	5.728	10	50	FKCA	
O=C1/C(=C\C=C\c2ccccc2)SC(=S)N1c1cccc2ccccc12	2999067	OICYFGMMQHMBOF-XYBIJNCUSA-N	373.502	5.802	10	50	FKCA	
Cc1ccc(N2C(=O)/C(=C/c3c(F)cccc3Cl)SC2=S)cc1	1220190	UXOZLDPHFZHBHE-DHDCSXOGSA-N	363.866	5.193	10	50	FKCA	
O/[N+](=N\c1ccc(Br)cc1)c1ccc(Br)cc1	225253404	SMTIFVQNFODRNK-UHFFFAOYSA-N	357.025	5.029	10	50	FKCA	in-vitro
CCCCc1ccc(/N=N/C2=NN(c3cccc(Cl)c3)C(=O)[C@H]2C)cc1	100430204	FDEBWDMEPPVBIL-FAFWDCIRSA-N	368.868	5.763	10	50	FKCA	
CCN(CC)c1ccc(CNc2ccc3c(c2)ncn3C(C)(C)C)cc1	1062402	DQSKIFMPIKSGEG-UHFFFAOYSA-N	350.510	5.250	10	50	FKCA	
Cc1cc(N2Cc3ccccc3C2)cc(C)c1N=Nc1ccc([N+](=O)[O-])cc1	254395313	OUJVRKAJCQRZFG-UHFFFAOYSA-N	372.428	6.147	10	50	FKCA	
Cc1ccc2ccc([C@H](Nc3ccccn3)c3ccccc3C)c(O)c2n1	1171628	LIRXDQGKAKZWIS-JOCHJYFZSA-N	355.441	5.154	10	50	FKCA	
O=[N+]([O-])c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc(Br)c1)N2	16425430	FOSRYHLDXZPQHJ-IIDMSEBBSA-N	371.234	5.184	10	50	FKCA	
CCc1ccc(O[C@@H](C)c2nc(-c3ccc(-n4cccc4)cc3)no2)cc1	1423485	BPWRNRLCEFZTNN-INIZCTEOSA-N	359.429	5.230	10	50	FKCA	
c1ccc(COc2ccc(C3Nc4cccc5cccc(c45)N3)cc2)cc1	2373085	VMALGIRLJULBJX-UHFFFAOYSA-N	352.437	5.955	10	50	FKCA	
CC(=O)N1c2ccc(Cl)cc2[C@@H]2C=CC[C@@H]2[C@H]1c1cccc2ccccc12	12379452	MGIXZCJBXIHKQQ-NHCICSSKSA-N	373.883	6.261	10	50	FKCA	aggregator
O=[N+]([O-])c1ccc(-c2c(O)c3ccccc3c3nc4ccccc4nc23)cc1	18137224	LAUIWXPZUXGMAL-UHFFFAOYSA-N	367.364	5.217	10	50	FKCA	
Cc1ccc(C)n1-c1ccc(Oc2ccc(-n3c(C)ccc3C)cc2)cc1	752033	PNMHVDGRJONPAU-UHFFFAOYSA-N	356.469	6.294	10	50	FKCA	
CN(C)N=Nc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1	254756468	ORXZFHPKBIXCPV-UHFFFAOYSA-N	361.445	5.405	10	50	FKCA	
O=[N+]([O-])c1ccc([C@@H]2Nc3cc(Cl)cc(Cl)c3[C@H]3C=CC[C@H]32)cc1	1140533	OMFZKADNEBEVIC-IYOUNJFTSA-N	361.228	5.728	10	50	FKCA	
O=C1/C(=C\c2cccc3ccccc23)SC(=S)N1C1CCCCC1	2682577	MKVVWUQFEAXNTR-QGOAFFKASA-N	353.512	5.374	10	50	FKCA	
O=[N+]([O-])c1cccc([C@@H]2Nc3ccc(Br)cc3[C@H]3C=CC[C@H]32)c1	1195043	IVEAFNNHZDJDMZ-DAYGRLMNSA-N	371.234	5.184	10	50	FKCA	
COC(=O)c1cccc2c1N[C@H](c1ccc(Cl)cc1Cl)[C@@H]1CC=C[C@@H]21	16156551	YSGXVDFQKIZNCE-VFVRVIDISA-N	374.267	5.607	10	50	FKCA	
Cc1ccnc(N[C@H](c2ccccc2C)c2ccc3cccnc3c2O)c1	4123973	PZMILTQIKJUYDG-JOCHJYFZSA-N	355.441	5.154	10	50	FKCA	
COc1cccc2c1N[C@H](c1cccc(Br)c1)[C@H]1CC=C[C@H]21	4859498	ZKVRMLMCPYWBNJ-RLFYNMQTSA-N	356.263	5.284	10	50	FKCA	
CC(=O)N1c2ccc3ccccc3c2[C@@H]2C=CC[C@H]2[C@H]1c1ccc(F)cc1	12379457	RLVZOWSPGCXTFC-PQNGQFLHSA-N	357.428	5.746	10	50	FKCA	
CC(=C\c1ccco1)/C=C1/SC(=S)N(c2ccc(C)cc2C)C1=O	15012014	RFGVSEZXGFHEED-YAXRHUFXSA-N	355.484	5.249	10	50	FKCA	
Cc1cccc(N[C@H](c2ccccc2F)c2ccc3ccc(C)nc3c2O)n1	18190078	RDBINMITTVTLBK-JOCHJYFZSA-N	373.431	5.293	10	50	FKCA	
O=C1c2ccccc2C(=O)C1C1=Nc2ccccc2N[C@@H](c2ccccc2)C1	100078639	MKWHUTIEFKGPMN-HXUWFJFHSA-N	366.420	5.011	10	50	FKCA	
Cc1ccc(/N=N/c2ccc(C)cc2NC(=O)c2ccc(Cl)cc2)cc1	18066689	SFMVISWGQXKYHZ-OCOZRVBESA-N	363.848	6.625	10	50	FKCA	
Cc1ccc(Nc2cc(N(C)C)c3noc4c3c2C(=O)c2ccccc2-4)cc1	850328	SBYIJBGGJVBVGV-UHFFFAOYSA-N	369.424	5.157	10	50	FKCA	
Cc1ccc(C)n1-c1ccccc1C(=O)Nc1ccccc1C(F)(F)F	1140307	ZLTSTFMHAZNKFI-UHFFFAOYSA-N	358.363	5.365	10	50	FKCA	
COc1ccc(N2C(=O)/C(=C\C(C)=C\c3ccccc3)SC2=S)cc1	4471738	AYCAHIIAUAAAOG-FBRLRESOSA-N	367.495	5.047	10	50	FKCA	
COc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccc(Cl)cc1)[C@@H]1CC=C[C@@H]21	13615530	MQFPOFQOAUDEHK-IIDMSEBBSA-N	356.809	5.083	10	50	FKCA	
O=C(O)c1ccc([C@@H]2Nc3c(Cl)cc(Cl)cc3[C@H]3C=CC[C@@H]32)cc1	4826582	IQZKBDLGUPNMAH-ZQIUZPCESA-N	360.240	5.518	10	50	FKCA	
CCOc1ccc2ccccc2c1/C=C1\SC(c2ccc(C)cc2)=NC1=O	15018346	JRXJLZKWDOEFAG-STZFKDTASA-N	373.477	5.608	10	50	FKCA	
C[C@@H]1CCCCN1Cc1cc(-c2ccnc3cc(Cl)ccc23)ccc1O	11913338	YUVFHXMHAVVPMS-OAHLLOKOSA-N	366.892	5.635	10	50	FKCA	
O=C1/C(=C/c2ccc(Cl)cc2)SC(=S)N1CCC1CCCC1	15011097	MWFNOLYKUUDFKB-PTNGSMBKSA-N	351.924	5.122	10	50	FKCA	
CC(C)(C)NCc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1O	1912685	ZVMMVSSEAMUNGI-UHFFFAOYSA-N	355.869	5.226	10	50	FKCA	in-vivo
CCCCCCN1C(=O)/C(=C/C2=Cc3ccccc3O[C@@H]2C)SC1=S	1777612	QTAUDCQKLKEGPA-VVTMIQRTSA-N	373.543	5.175	10	50	FKCA	
CCc1ccc(-n2c(-c3ccc(Cl)cc3)cc(C(=O)OC)c2C)cc1	4237705	PXXBTEVVCJXPTN-UHFFFAOYSA-N	353.849	5.455	10	50	FKCA	
CC(C)c1ccc(-c2c3cn[nH]c3nc3c2oc2c(O)c(O)ccc23)cc1	217912735	BXMGZPREHMBCPR-UHFFFAOYSA-N	359.385	5.059	10	50	FKCA	biogenic
O=[N+]([O-])c1cccc([C@@H]2Nc3ccc(Br)cc3[C@H]3C=CC[C@@H]32)c1	4714360	IVEAFNNHZDJDMZ-MPGHIAIKSA-N	371.234	5.184	10	50	FKCA	
Cc1cccc(N2C(=O)/C(=C/c3cccc4ccccc34)SC2=S)c1	1159490	CQTISSIMRWQMQS-UYRXBGFRSA-N	361.491	5.554	10	50	FKCA	
C[C@H](NCc1cc(-c2ccc(F)cc2)ccc1O)c1cccc2ccccc12	12513254	BXXDFYGLOUVLEC-KRWDZBQOSA-N	371.455	6.202	10	50	FKCA	
CC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc(Cl)c1Cl)N2	169617677	HOJYHCMZZJYMJX-JZKQVHKSSA-N	358.268	6.023	10	50	FKCA	
CC(C)COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(F)cc1)N2	169690005	ZCCKRUSIGVOBGI-XQBPLPMBSA-N	365.448	5.465	10	50	FKCA	
CC(/C=C1\SC(=S)N(c2ccc(C)c(C)c2)C1=O)=C\c1ccccc1	1811623	NBBNWTZOXLDJQS-JKLBGJETSA-N	365.523	5.656	10	50	FKCA	
CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1)N2	4798358	FJDCMXSYGALZTF-HLIPFELVSA-N	353.849	5.343	10	50	FKCA	
CCN(CC)c1ccc(C2N(c3ccccc3)CCN2c2ccccc2)cc1	2165892	ICATUZOXXQUPQE-UHFFFAOYSA-N	371.528	5.558	10	50	FKCA	
Cc1ccc(NC2=NC(=O)/C(=C/c3ccc(Cl)cc3)S2)cc1Cl	1202906	DGCHZYASMPVHLD-NVNXTCNLSA-N	363.269	5.384	10	50	FKCA	
CC[C@]1(C)C[C@@](CCNCc2ccccc2O)(c2ccc(C)cc2)CCO1	4316709	AZZXQPIFKYDBCE-RPWUZVMVSA-N	367.533	5.097	10	50	FKCA	
O=[N+]([O-])c1cc(Br)c2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1)N2	229844094	DXLGAURBTCWZSW-CPUCHLNUSA-N	371.234	5.184	10	50	FKCA	
O=[N+]([O-])c1ccc([C@@H]2Nc3cc(Br)ccc3[C@@H]3C=CC[C@@H]32)cc1	222323421	IKKHCPCGKDSXFD-ZVZYQTTQSA-N	371.234	5.184	10	50	FKCA	
CCCCn1c(NCc2ccc(N(CC)CC)cc2)nc2ccccc21	2843341	VTONTXCLLCMILX-UHFFFAOYSA-N	350.510	5.295	10	50	FKCA	
CC(=C/c1ccccc1)/C=C1\SC(=S)N(c2ccc(Cl)cc2)C1=O	1811543	ALXDMKPGNLRIJG-RQGFIEOQSA-N	371.914	5.692	10	50	FKCA	
O=C(O)c1cc2c3c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N3C[C@H]1CC=C[C@H]21	245231850	KFAJWONJZWSPHN-WCDSQHRASA-N	369.464	5.279	10	50	FKCA	
Oc1ccc(NCc2cc(Cl)ccc2OCc2ccc(F)cc2)cc1	2160166	GJSGOZXJXOKMGP-UHFFFAOYSA-N	357.812	5.376	10	50	FKCA	
Cc1ccc(N2C(=O)/C(=C\c3ccc(Cl)cc3)N=C2c2ccccc2)cc1	2257361	ZKKQEQKEYIFNGT-RCCKNPSSSA-N	372.855	5.483	10	50	FKCA	
O=C1c2ccccc2C(=O)C1(Cc1ccccc1F)c1ccc(Cl)cc1	1173070	YYNWMZPDNVHMEE-UHFFFAOYSA-N	364.803	5.039	10	50	FKCA	
Nc1c(/N=N/c2ccc(Cl)cc2)c(-c2ccco2)nn1-c1ccccc1	4088294	XQJKDIJRJNTGCB-GHVJWSGMSA-N	363.808	5.783	10	50	FKCA	
O=[N+]([O-])c1ccc([C@@H]2Nc3cc(Br)ccc3[C@H]3C=CC[C@@H]32)cc1	5050663	IKKHCPCGKDSXFD-HFTRVMKXSA-N	371.234	5.184	10	50	FKCA	
COc1cc([C@@H]2Nc3c(Cl)cccc3[C@@H]3C=CC[C@H]32)cc(OC)c1OC	13389269	DQBFJWJQHQGVAU-LPMFXHHGSA-N	371.864	5.192	10	50	FKCA	
C/C(=C1/SC(=S)N(Cc2ccccc2)C1=O)c1ccc(C)c(C)c1	1164319	YPHFLUDJWJALJK-SDXDJHTJSA-N	353.512	5.095	10	50	FKCA	
Oc1c([C@@H](Nc2ccccn2)c2ccsc2)cc(Cl)c2cccnc12	19849916	AQIHMRHNAMZDSP-KRWDZBQOSA-N	367.861	5.252	10	50	FKCA	
Cc1ccc(C2=C/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C(=O)O2)cc1	1201650	AEQLBKKNLABFPU-ATVHPVEESA-N	373.364	5.145	10	50	FKCA	
O=C(O)CCc1ccc(-c2ccccc2)n1-c1cccc(C(F)(F)F)c1	4140671	ZWRVXYMADCNKIG-UHFFFAOYSA-N	359.347	5.180	10	50	FKCA	
O=C(c1ccc(Cl)cc1)c1ccccc1NC(=S)Nc1ccccc1	1018680	QIROJEUJKDMXRJ-UHFFFAOYSA-N	366.873	5.380	10	50	FKCA	
CN(C)c1ccc(/C=C\c2ccnc(/C=C/c3ccc(N(C)C)cc3)c2)cc1	23549750	FAEPZZMAXCPPSK-UNKATYBDSA-N	369.512	5.554	10	50	FKCA	
CCc1ccc(/C=C2\SC(=S)N(CCC3CCCCC3)C2=O)cc1	15011203	XPQWFRGHZBWLPF-JXAWBTAJSA-N	359.560	5.421	10	50	FKCA	
COc1cc([N+](=O)[O-])cc2c1N[C@H](c1cccc3ccccc13)[C@H]1CC=C[C@@H]21	15658701	FBHJZSNFOSACII-ZWCUEREDSA-N	372.424	5.583	10	50	FKCA	
COC(=O)c1cccc2c1N[C@H](c1ccc(Cl)cc1Cl)[C@@H]1CC=C[C@H]21	4819035	YSGXVDFQKIZNCE-JCGVRSQUSA-N	374.267	5.607	10	50	FKCA	
CCNc1cc(Nc2ccc(C)cc2)c2c3c(onc13)-c1ccccc1C2=O	4981467	ZYXTWUUJUWSWSW-UHFFFAOYSA-N	369.424	5.523	10	50	FKCA	
Oc1ccc2ccccc2c1CN(Cc1ccccc1)Cc1ccccc1	1100811	ZNOUJAYGYAPHSK-UHFFFAOYSA-N	353.465	5.748	10	50	FKCA	
CC(C)(C)c1ccc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)cc1	15015255	ZMNJVSWBHZPZGC-LGMDPLHJSA-N	359.560	5.518	10	50	FKCA	
CCc1ccc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)s1	1134830	NYYMOGWZIMTNAQ-YBEGLDIGSA-N	359.541	5.020	10	50	FKCA	
Cc1ccc(/N=N/c2ccc(C)cc2NC(=O)Nc2cc(C)ccc2C)cc1	18119273	RZGNVYLDDKPRFF-CYYJNZCTSA-N	372.472	6.980	10	50	FKCA	
COc1cc([C@@H]2Nc3c(Cl)cccc3[C@@H]3C=CC[C@@H]32)cc(OC)c1OC	4172143	DQBFJWJQHQGVAU-TYILLQQXSA-N	371.864	5.192	10	50	FKCA	
CCOc1ccc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc1	1123865	HNFZASRXMVOUOR-LDADJPATSA-N	369.511	5.108	10	50	FKCA	
CC(C)n1c(NCc2cc(Cl)cc(Cl)c2O)nc2ccccc21	1131833	KDISSSAFZAOCCM-UHFFFAOYSA-N	350.249	5.242	10	50	FKCA	
CC(=O)N1c2ccc(Cl)cc2[C@@H]2C=CC[C@H]2[C@H]1c1cccc2ccccc12	12379454	MGIXZCJBXIHKQQ-ZILOHOTNSA-N	373.883	6.261	10	50	FKCA	aggregator
CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(-c2ccccc2Cl)o1	102298261	XQFPXOWDQAYSTM-QGOAFFKASA-N	362.816	5.406	10	50	FKCA	
O=C(O)c1ccc([C@@H]2Nc3cc(Cl)cc(Cl)c3[C@H]3C=CC[C@@H]32)cc1	4690403	GGFWWCDGQIOLDN-DEYYWGMASA-N	360.240	5.518	10	50	FKCA	
CCCc1cc(/N=N/c2ccncc2)ccc1OCCCCCC(=O)O	44069441	RKSDFQDWVOJLAU-GHVJWSGMSA-N	355.438	5.473	10	50	FKCA	in-vitro
c1ccc2cc(OCc3nc(-c4ccc(-n5cccc5)cc4)no3)ccc2c1	4686402	OLDSIEPLDAJVOQ-UHFFFAOYSA-N	367.408	5.260	10	50	FKCA	
CN(C)c1ccc(C=C2c3ccccc3C(=O)c3ccccc32)c(Cl)c1	1568760	VZQRQRCKQJCGIJ-UHFFFAOYSA-N	359.856	5.539	10	50	FKCA	
O=C(Nc1cccc(N2CCCC2)c1)c1ccc(Oc2ccccc2)cc1	643518	BMMOWLSNXSUEJP-UHFFFAOYSA-N	358.441	5.331	10	50	FKCA	
CC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1Cl)N2	851029	PKAWVAYJGJHNQI-SIFCLUCFSA-N	373.283	5.778	10	50	FKCA	
CN1/C(=C/C=C/C2=[N+](C)c3ccccc3C2(C)C)C(C)(C)c2ccccc21	3846904	VNUWMMGQKKIMQY-UHFFFAOYSA-N	357.521	5.560	10	50	FKCA	in-vitro
O=[N+]([O-])c1cccc2c1N[C@H](c1ccccc1Br)[C@H]1CC=C[C@H]21	4859488	KEGSEBMJECUZFC-PRXAMGSTSA-N	371.234	5.184	10	50	FKCA	
C[C@@H](NCc1cc(-c2ccc(F)cc2)ccc1O)c1cccc2ccccc12	12513249	BXXDFYGLOUVLEC-QGZVFWFLSA-N	371.455	6.202	10	50	FKCA	
Cc1ccnc(N[C@H](c2cccs2)c2ccc3ccc(C)nc3c2O)c1	54621933	UHTHUGWXOOBIEP-FQEVSTJZSA-N	361.470	5.215	10	50	FKCA	
Oc1ccc2ccccc2c1/N=N/c1ccccc1OCCc1ccccc1	4681868	ZCRQEIXINPGWDD-OCEACIFDSA-N	368.436	6.582	10	50	FKCA	
Cc1ccc(/N=N/C2CCCCC2)c(NC(=O)Nc2cccc(F)c2)c1	4797380	AKCUTXFOCKAKPK-OCOZRVBESA-N	354.429	6.195	10	50	FKCA	
Clc1cc(Cl)c2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1Cl)N2	169617088	SQLKQUXTJALEHP-QFSBIZTOSA-N	350.676	6.473	10	50	FKCA	
CN(C)c1ccc(/C=C/c2cc[n+](CCCN=[N+]=[N-])c3ccccc23)cc1	257354904	FFZNAMJZPIXRTJ-UHFFFAOYSA-N	358.469	5.064	10	50	FKCA	
Brc1ccc(/N=N/c2ccc(N3CCCCCC3)cc2)cc1	4774695	LPFNVXGWARDXQR-QZQOTICOSA-N	358.283	6.245	10	50	FKCA	
CCn1c2ccccc2c2cc(C3Nc4cccc5cccc(c45)N3)ccc21	1798805	KBBVZFLPZHBOMC-UHFFFAOYSA-N	363.464	6.504	10	50	FKCA	
CC(C)c1ccc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc1	2677723	RIDUNRYCAJNVAQ-RGEXLXHISA-N	367.539	5.254	10	50	FKCA	
COc1ccc([C@@H]2C[C@@](C)(c3ccc(OC)cc3)Nc3ccccc3N2)cc1	884963	IWKLXNHIGJNDLO-ZEQRLZLVSA-N	374.484	5.588	10	50	FKCA	
CCc1ccc(-n2nc(C)c(/N=N/c3ccc(Cl)c(Cl)c3)c2C)cc1	17070448	QZNKCRGCUBHCEV-GHVJWSGMSA-N	373.287	6.774	10	50	FKCA	
C[C@H](c1cccc(-c2ccc(Oc3ccc(N)cn3)cc2)c1)N1CCCC1	426563201	USFGINXZFMMZCN-QGZVFWFLSA-N	359.473	5.280	10	50	FKCA	
CC(C)CC(=O)N[C@@H](c1ccccc1Cl)c1c(O)ccc2ccccc12	801053	CKMNSLDZNGQQFK-QFIPXVFZSA-N	367.876	5.451	10	50	FKCA	
O=C(Nc1ccc(Oc2cccc3ccccc23)cc1)c1ccccc1F	991709	MARXSTDUBACEBS-UHFFFAOYSA-N	357.384	6.024	10	50	FKCA	
CCN(CC)Cc1c(O)ccc2oc(C)c(C(=O)c3ccc(C)c(C)c3)c12	4990852	IWUGRVSPBJRLPS-UHFFFAOYSA-N	365.473	5.136	10	50	FKCA	
O=C1/C(=C\c2ccc(C(F)(F)F)cc2)SC(=S)N1c1ccccc1	13476837	OQYXEXLGOTTWTA-GXDHUFHOSA-N	365.401	5.111	10	50	FKCA	
C[Si](C)(C)c1ccc2c(N=Nc3ccc([N+](=O)[O-])cc3)c(O)ccc2c1	254751473	FNGARMKVKDQTCC-UHFFFAOYSA-N	365.465	5.414	10	50	FKCA	
CN1C(=O)/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)SC1=S	4952887	WDAHRNZSRAWXFB-NTUHNPAUSA-N	370.282	5.084	10	50	FKCA	
O=C1/C(=C/c2cccs2)SC(=S)N1c1ccc(Cl)cc1Cl	1159691	RCYODJAKFOWKDP-GHXNOFRVSA-N	372.323	5.461	10	50	FKCA	
CC[C@H](c1ccc(O)c(CN2CCCC2)c1)[C@@H](CC)c1ccc(OC)cc1	1758550	BNOMEMSSKXGONB-XZOQPEGZSA-N	367.533	5.684	10	50	FKCA	
Cc1cccc(C(=O)Nc2ccc3oc(-c4ccc(N(C)C)cc4)nc3c2)c1	826368	ZASYOPOSOBIROD-UHFFFAOYSA-N	371.440	5.122	10	50	FKCA	
O=C1/C(=C\c2ccsc2)SC(=S)N1c1cccc(C(F)(F)F)c1	4482055	PCPZUPPJCAFQRB-WUXMJOGZSA-N	371.430	5.173	10	50	FKCA	
CN(C)c1ccc([C@@H]2CC(c3ccc(F)cc3)=NN2c2ccccc2)cc1	4140727	FWANESALLNCYOV-QHCPKHFHSA-N	359.448	5.247	10	50	FKCA	
O=[N+]([O-])c1ccccc1[C@@H]1Nc2c(Cl)ccc(Cl)c2[C@H]2C=CC[C@@H]21	4827929	GUVRLNWUUKGYCY-PSVSLLHZSA-N	361.228	5.728	10	50	FKCA	
CC(/C=C1\SC(=S)N(c2ccc(C)cc2)C1=O)=C\c1ccccc1	1155888	OYPUFANNXHBMLF-MNPLYOLFSA-N	351.496	5.347	10	50	FKCA	
CC(C)N1C(=O)/C(=C\c2ccc(-c3ccccc3Cl)o2)SC1=S	4652527	DVECMMIDZCRHLE-OQLLNIDSSA-N	363.891	5.210	10	50	FKCA	
Oc1ccc(/N=N/c2ccc(/N=N/c3ccccc3)c3ccccc23)cc1	100048624	FWTBRYBHCBCJEQ-OGGGYYITSA-N	352.397	7.376	10	50	FKCA	
Oc1ccc(-c2ccnc3cc(Cl)ccc23)cc1CNCc1ccccc1	299774731	IZIDPVNLEBRRJC-UHFFFAOYSA-N	374.871	5.551	10	50	FKCA	
COc1ccc(-n2cnc3cc(NCc4ccc(C(C)C)cc4)ccc32)cc1	4599713	JPSZEXYTKSIPDW-UHFFFAOYSA-N	371.484	5.770	10	50	FKCA	in-vivo
O=[N+]([O-])c1ccc([C@@H]2Nc3ccc(Br)cc3[C@@H]3C=CC[C@@H]32)cc1	101124564	RZZXEWLABHHSFS-VKJFTORMSA-N	371.234	5.184	10	50	FKCA	
CC(C)(C)c1ccc(Nc2ccc3c(c2O)C(=O)c2ccccc2C3=O)cc1	4792816	CIRKBTHGOBCLSB-UHFFFAOYSA-N	371.436	5.209	10	50	FKCA	
CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1Cl)N2	169616975	IYZAIFSSWYYPKS-SXGZJXTBSA-N	353.849	5.343	10	50	FKCA	
Cc1nn(-c2cccc(Cl)c2)c(C)c1N=Nc1cccc([N+](=O)[O-])c1	243932688	BXYJRVYZKFVBSI-UHFFFAOYSA-N	355.785	5.466	10	50	FKCA	
CC(C)COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(F)cc1)N2	4124119	ZCCKRUSIGVOBGI-KNKQGSTJSA-N	365.448	5.465	10	50	FKCA	
CC(=O)N1c2ccc(Cl)cc2[C@@H]2C=CC[C@H]2[C@@H]1c1cccc2ccccc12	4286310	MGIXZCJBXIHKQQ-ZYKOEDHHSA-N	373.883	6.261	10	50	FKCA	aggregator
O=C(O)c1ccc([C@@H]2Nc3c(Cl)cc(Cl)cc3[C@@H]3C=CC[C@@H]32)cc1	14165786	IQZKBDLGUPNMAH-KEYYUXOJSA-N	360.240	5.518	10	50	FKCA	
COc1cc(/C=C2\SC(Nc3ccc(C)c(Cl)c3)=NC2=O)ccc1C	15723196	YNXBDAQUCVWVCX-MFOYZWKCSA-N	372.877	5.048	10	50	FKCA	
Cc1cccc(N[C@@H](c2ccc(F)cc2)c2ccc3ccc(C)nc3c2O)n1	5102422	DGBXBTUKPYXYLT-NRFANRHFSA-N	373.431	5.293	10	50	FKCA	
Cc1ccc([C@H](Nc2cccc(C)n2)c2ccc3cccnc3c2O)cc1	18173642	KSUCEXYJUGNPFV-NRFANRHFSA-N	355.441	5.154	10	50	FKCA	
CCOc1ccc(/C=C2/C=C(c3ccc4cc(C)ccc4c3)OC2=O)cc1	16677236	SKMDZLDJDDZSBC-BKUYFWCQSA-N	356.421	5.528	10	50	FKCA	
CC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc(Cl)c1Cl)N2	12379721	XULLAXYAWDWZNJ-JZKQVHKSSA-N	373.283	5.778	10	50	FKCA	
Cc1ccc(-c2ccccc2)n1-c1cccc(I)c1	2387455	ZBKFAQDLOPISJB-UHFFFAOYSA-N	359.210	5.057	10	50	FKCA	
C[C@@H](c1ccccc1O)n1cnc(-c2ccccc2)c1-c1cccc(O)c1	65432257	WWMZMHFHRGEYKV-INIZCTEOSA-N	356.425	5.238	10	50	FKCA	
Cc1ccc([C@@H](NC(=O)C2CCCCC2)c2ccc3cccnc3c2O)cc1	869249	VXOYNYANFXYNKY-OAQYLSRUSA-N	374.484	5.035	10	50	FKCA	
Cc1ccc(C2=C/C(=C/c3cccn3-c3ccccc3F)C(=O)O2)c(C)c1	709269	UNFZDLRBTYHELA-LGMDPLHJSA-N	359.400	5.215	10	50	FKCA	
CC(C)(C)c1cccc([C@@H]2Nc3cc(Cl)ccc3-c3ccnn32)c1O	1908708299	MEOOEQSHSNYZQY-LJQANCHMSA-N	353.853	5.179	10	50	FKCA	
O=C(O)c1ccc([C@H]2Nc3c(Cl)cc(Cl)cc3[C@H]3C=CC[C@H]32)cc1	871776	IQZKBDLGUPNMAH-JJRVBVJISA-N	360.240	5.518	10	50	FKCA	
O=[N+]([O-])c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Br)cc1)N2	101114361	GWVXFYIUCYDRTM-VKJFTORMSA-N	371.234	5.184	10	50	FKCA	
CC(/C=C1\SC(=S)N(c2cccc(C)c2C)C1=O)=C\c1ccccc1	1788078	UPZYTOQOYTZYAY-VAWAYFNOSA-N	365.523	5.656	10	50	FKCA	
CCCC[C@@H](CC)CN1C(=O)/C(=C/c2ccc(OC)cc2)SC1=S	4794931	SGQIZJVIXOXZNM-MTOJCTJASA-N	363.548	5.113	10	50	FKCA	
Cc1ccc(NC2=NC(=O)/C(=C/c3c[nH]c4ccccc34)S2)cc1Cl	22135369	GEWJXPCTVGZKIH-IUXPMGMMSA-N	367.861	5.212	10	50	FKCA	
O=C1/C(=C\c2c(Cl)cccc2Cl)SC(=S)N1C1CCCCC1	5242171	HLUFUNWUAVMXAT-NTEUORMPSA-N	372.342	5.527	10	50	FKCA	
COc1cccc2c1N[C@H](c1cccc(Br)c1)[C@@H]1CC=C[C@H]21	1216553	ZKVRMLMCPYWBNJ-HDMKZQKVSA-N	356.263	5.284	10	50	FKCA	
COc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccccc1Cl)[C@H]1CC=C[C@@H]21	13615460	JXFRGZVADRPIBI-VBHSOAQHSA-N	356.809	5.083	10	50	FKCA	
COc1ccc(Cl)c2c1N[C@H](c1cccc3ccccc13)[C@H]1CC=C[C@@H]21	653862	SCCMJLKLLDFBGV-TVTNDZMWSA-N	361.872	6.328	10	50	FKCA	
Cc1ccc(-c2ccc(CCC(=O)O)n2-c2ccccc2C(F)(F)F)cc1	1072803	HLKFFDZBUBMBKO-UHFFFAOYSA-N	373.374	5.489	10	50	FKCA	
COc1ccccc1/N=N/c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1	100516015	ISTFTATZQQNYEU-OCEACIFDSA-N	354.413	6.168	10	50	FKCA	
COC(=O)c1ccccc1Oc1ccc(-n2c(C)ccc2-c2ccco2)cc1	1390755	YQSGOMNKJPRWNK-UHFFFAOYSA-N	373.408	5.625	10	50	FKCA	
CN(C)c1ccc(-c2nc3c(C(C)(C)C)cc(C(C)(C)C)c(O)c3o2)cc1	2268261	CKSPANINKYQXGV-UHFFFAOYSA-N	366.505	5.861	10	50	FKCA	
CC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1ccc(Cl)cc1	13304516	DUUYCMHUBZFHRF-ZSOIEALJSA-N	365.647	5.453	10	50	FKCA	
COc1ccc(/C=C2/C=C(c3ccc4cc(C)ccc4c3)OC2=O)c(OC)c1	1204128	HKVHHHCIGZRADD-NDENLUEZSA-N	372.420	5.147	10	50	FKCA	
Cc1ccc(C)c([C@H](Nc2ccccn2)c2ccc3cccnc3c2O)c1	668633	SMVGLVQESZULKI-JOCHJYFZSA-N	355.441	5.154	10	50	FKCA	
Cc1c(C(=O)O)ccc2c1N[C@H](c1cccc(C(F)(F)F)c1)[C@H]1CC=C[C@H]21	4810904	OBZCGXZLOPIXLW-TXPKVOOTSA-N	373.374	5.539	10	50	FKCA	
CCCC[C@@H](CC)CN1C(=O)/C(=C/c2cccc(Cl)c2)SC1=S	2678121	HIOCZQCITFNUBG-YYTPVVGHSA-N	367.967	5.758	10	50	FKCA	
O=[N+]([O-])c1cc(Br)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2	229844103	DXLGAURBTCWZSW-KEYYUXOJSA-N	371.234	5.184	10	50	FKCA	
Cc1cccc(N2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)c1C	1215274	SNBNQSZEZJXSIW-YBEGLDIGSA-N	359.903	5.363	10	50	FKCA	
CCCCN1C(=CC2=[N+](C)c3ccccc3C2(C)C)C(C)(C)c2ccccc21	4531769	HBGWXPDHGLXNEP-UHFFFAOYSA-N	373.564	6.174	10	50	FKCA	
Cc1ccc(-c2nc(N)ncc2/N=N\c2cc(Cl)cc(Cl)c2)cc1	100135269	GSFQWSILNCLPSB-VHXPQNKSSA-N	358.232	5.756	10	50	FKCA	
Oc1ccc(NCc2c(OCc3ccccc3)ccc3ccccc23)cc1	2160101	ZHUULXUVTDBVRR-UHFFFAOYSA-N	355.437	5.737	10	50	FKCA	
COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc3ccccc13)N2	844618	VGGQQFMDNDVTNO-QMHWCDLVSA-N	355.437	5.453	10	50	FKCA	
CC(=O)N(C(C)=O)c1c(Cl)cc(/N=N/c2ccccc2)cc1Cl	17886569	AUPRHQJGIVQSQR-FMQUCBEESA-N	350.205	5.308	10	50	FKCA	
CC(C)CC(=O)N[C@@H](c1ccc(Cl)cc1)c1c(O)ccc2ccccc12	801051	ZKKAFFUMPPPNBY-QFIPXVFZSA-N	367.876	5.451	10	50	FKCA	
CC(C)c1ccc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)cc1	1776247	VWGBKEFAXKFNOA-LICLKQGHSA-N	373.930	5.869	10	50	FKCA	
CC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1Cl)N2	169682352	FHGJPIGQRQJWHG-SXGZJXTBSA-N	358.268	6.023	10	50	FKCA	
CC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(Cl)c1Cl)N2	783517	XULLAXYAWDWZNJ-LAPQFRIASA-N	373.283	5.778	10	50	FKCA	
CCc1ccc(-c2c(O)c3ccccc3c3nc4ccccc4nc23)cc1	4358818	DDACNVWKVKLBFF-UHFFFAOYSA-N	350.421	5.871	10	50	FKCA	
O=[N+]([O-])c1cc([C@@H]2Nc3ccc4ccccc4c3[C@@H]3C=CC[C@@H]32)ccc1O	36046430	NSVOOKQOVSUPIS-JLHGSKIFSA-N	358.397	5.280	10	50	FKCA	
CCc1ccc(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1	2991943	VMGPRCKJKXGJIW-LFIBNONCSA-N	359.903	5.308	10	50	FKCA	
O=[N+]([O-])c1ccc([C@@H]2Nc3ccc(-c4ccccc4)cc3[C@H]3C=CC[C@H]32)cc1	4984036	RHQFVKLDZXSRDJ-IMSXRSKXSA-N	368.436	6.088	10	50	FKCA	
O=C(O)CCc1ccc(-c2cccs2)n1-c1cc(Cl)ccc1Cl	1075793	UWXCADKAXSYGFR-UHFFFAOYSA-N	366.269	5.530	10	50	FKCA	
COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1cccc(F)c1)N2	1128525	COGZNDMCDPGNTO-GLJUWKHASA-N	357.812	5.092	10	50	FKCA	
C/C(=C1/SC(=S)N(c2ccc(C)c(C)c2)C1=O)c1ccc(Cl)cc1	2700375	TYSPRPHPXQXQFK-LGMDPLHJSA-N	373.930	5.753	10	50	FKCA	
Cc1ccc(NC2=NC(=O)/C(=C/c3ccc(C(C)C)cc3)S2)cc1Cl	2889335	MIMLIVYDZORRDK-ZDLGFXPLSA-N	370.905	5.854	10	50	FKCA	
Cc1ccc2ccc([C@@H](Nc3ccccn3)c3sccc3C)c(O)c2n1	19843128	WNWPRKWIJGVALY-LJQANCHMSA-N	361.470	5.215	10	50	FKCA	
Cc1cc(C)c([C@@H](Nc2ccccn2)c2ccc3cccnc3c2O)c(C)c1	2745557	JEXROXHHDBQUAA-QHCPKHFHSA-N	369.468	5.462	10	50	FKCA	
CCCCCCN1C(=O)/C(=C\c2ccc(Cl)c(Cl)c2)SC1=S	5502013	SBKXVCAUNJWSKW-GXDHUFHOSA-N	374.358	5.775	10	50	FKCA	
COc1cc([N+](=O)[O-])cc2c1N[C@H](c1cccc3ccccc13)[C@@H]1CC=C[C@@H]21	15658703	FBHJZSNFOSACII-SFGWALBWSA-N	372.424	5.583	10	50	FKCA	
O=C(Nc1ccc(Oc2cccc3ccccc23)cc1)c1ccccc1Cl	1140394	FRHXWKWNIBHRCX-UHFFFAOYSA-N	373.839	6.538	10	50	FKCA	
COC(=O)c1ccc([C@@H]2Nc3c(ccc4ccccc34)[C@H]3C=CC[C@@H]32)cc1	4810899	AUYZUYKXLPVXBH-ONTIZHBOSA-N	355.437	5.453	10	50	FKCA	
O=[N+]([O-])c1cccc2c1N[C@H](c1cccc(Cl)c1Cl)[C@@H]1CC=C[C@H]21	4045286	UFJADWJZTAAWOZ-RVPKQNPDSA-N	361.228	5.728	10	50	FKCA	
O=[N+]([O-])c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(Cl)c1Cl)N2	101124533	PHBVSCMSLCWYNX-FTLABTOESA-N	361.228	5.728	10	50	FKCA	
COc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Br)cc1)N2	3880393	YICQHNQSRVIXEH-GJYPPUQNSA-N	356.263	5.284	10	50	FKCA	
CC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1Cl)N2	4048156	PKAWVAYJGJHNQI-STXHMFSFSA-N	373.283	5.778	10	50	FKCA	
O=C(O)CCc1ccc(-c2cccs2)n1-c1cccc(C(F)(F)F)c1	4550784	ZTLIKPNBASSACQ-UHFFFAOYSA-N	365.376	5.242	10	50	FKCA	
CCCCCCN1C(=O)/C(=C\c2cccc3ccccc23)SC1=S	5502052	LHLOYUNECUUTJR-NBVRZTHBSA-N	355.528	5.621	10	50	FKCA	
COc1ccc(Cl)cc1NC(=O)c1ccc(-n2c(C)ccc2C)cc1	1151503	QRIXIPOSSZNADC-UHFFFAOYSA-N	354.837	5.008	10	50	FKCA	
CN(c1ccccc1)c1ccc(/N=N/c2nc(-c3ccccc3)cs2)cc1	22017038	ZMZQGEHYQXODBV-OCOZRVBESA-N	370.481	6.993	10	50	FKCA	
Br/C(=C\c1ccccc1)C1Nc2cccc3cccc(c23)N1	1740254	RFVRCAMLQSPQDD-QINSGFPZSA-N	351.247	5.439	10	50	FKCA	
Cc1cccc(C(=O)C[C@H](c2ccccc2)C2C(=O)c3ccccc3C2=O)c1	100363942	FQKNRNWCQWANCM-OAQYLSRUSA-N	368.432	5.047	10	50	FKCA	
CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc3ccccc13)N2	169617623	IQYGQJPGTOMWDO-ZILOHOTNSA-N	369.464	5.843	10	50	FKCA	
CC[C@@H]1CCCCN1Cc1cc(-c2nc3ccccc3s2)ccc1O	14989550	ICOJXYJVENTMSL-QGZVFWFLSA-N	352.503	5.433	10	50	FKCA	
O=[N+]([O-])c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Br)cc1)N2	101114362	GWVXFYIUCYDRTM-RVKKMQEKSA-N	371.234	5.184	10	50	FKCA	
CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc3ccccc13)N2	4321268	IQYGQJPGTOMWDO-ZYKOEDHHSA-N	369.464	5.843	10	50	FKCA	
CCOc1cc2c(c([N+](=O)[O-])c1)N[C@H](c1ccccc1Cl)[C@@H]1CC=C[C@H]21	4852926	YXSBZOLMTQZULH-KSMMKXTCSA-N	370.836	5.473	10	50	FKCA	
O=C(N[C@H](c1ccccc1)c1ccc2ccccc2c1O)C1CCCCC1	2999504	DNRKZQXZGPDJLA-JOCHJYFZSA-N	359.469	5.331	10	50	FKCA	
Oc1ccc2ccccc2c1/N=N/c1ccccc1I	4950034	AQMBZYFYPYCCAV-VHEBQXMUSA-N	374.181	5.565	10	50	FKCA	
CCCC[C@H](CC)CN1C(=O)/C(=C/c2ccccc2F)SC1=S	2678114	MTSHBUABDZBGKC-RERGGYADSA-N	351.512	5.243	10	50	FKCA	
CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1)N2	222222116	FJDCMXSYGALZTF-MBOZVWFJSA-N	353.849	5.343	10	50	FKCA	
Oc1ccc2ncccc2c1[C@@H](Nc1ccccn1)c1ccc(Cl)cc1	8036189	LPRHGBLPNRTUEF-NRFANRHFSA-N	361.832	5.190	10	50	FKCA	
O=C1/C(=C\c2c(F)cccc2Cl)SC(=S)N1c1ccccc1F	15012079	MEVNNFWATKCSRK-RIYZIHGNSA-N	367.829	5.024	10	50	FKCA	
O=[N+]([O-])c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(Br)c1)N2	101942974	FOSRYHLDXZPQHJ-RVKKMQEKSA-N	371.234	5.184	10	50	FKCA	
CSC1=NC(=O)/C(=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)S1	13734161	GUXWELWUSVXSOL-UVTDQMKNSA-N	363.548	5.321	10	50	FKCA	
Cc1cccc(N[C@H](c2ccccc2C)c2ccc3ccc(C)nc3c2O)n1	2835118	CJMZOSQIZSOMOE-HSZRJFAPSA-N	369.468	5.462	10	50	FKCA	
CN(Cc1ccsc1)Cc1cc(-c2nc3ccccc3s2)ccc1O	14882728	HOXIPONFZMNJSI-UHFFFAOYSA-N	366.511	5.362	10	50	FKCA	
COC(=O)c1ccc([C@@H]2Nc3c(ccc4ccccc34)[C@@H]3C=CC[C@@H]32)cc1	5244609	AUYZUYKXLPVXBH-URVUXULASA-N	355.437	5.453	10	50	FKCA	
CC(C)(C)c1ccc(Oc2c(N)ccc3c2C(=O)c2ccccc2C3=O)cc1	4981639	VYZGUUJEDSDDGA-UHFFFAOYSA-N	371.436	5.134	10	50	FKCA	
Cc1nn(-c2ccc(F)cc2)c(C)c1/N=N/c1ccc(Cl)c(Cl)c1	17070458	XURPWFCCCHKYEF-QURGRASLSA-N	363.223	6.350	10	50	FKCA	
O=[N+]([O-])c1ccccc1[C@@H]1Nc2ccc(Br)cc2[C@@H]2C=CC[C@H]21	101164131	IRFHZNUHWKNUKZ-SNUQEOBHSA-N	371.234	5.184	10	50	FKCA	
COc1ccc([C@@H]2C[C@](C)(c3ccc(OC)cc3)Nc3ccccc3N2)cc1	884965	IWKLXNHIGJNDLO-BJKOFHAPSA-N	374.484	5.588	10	50	FKCA	
Oc1ccc(-c2ccccc2)cc1CN1CC=C(c2ccc(F)cc2)CC1	12213737	CKNCMGNXLGAVNT-UHFFFAOYSA-N	359.444	5.488	10	50	FKCA	
Cc1ccsc1/C=C1/SC(=S)N(c2cccc(Cl)c2)C1=O	1149854	WDBVFASOQAZBDT-MDWZMJQESA-N	351.905	5.116	10	50	FKCA	
O=[N+]([O-])c1cc([C@@H]2Nc3ccc4ccccc4c3[C@@H]3C=CC[C@H]32)ccc1O	20110039	NSVOOKQOVSUPIS-YVHKJVDXSA-N	358.397	5.280	10	50	FKCA	
COc1ccccc1N1C(=O)/C(=C/C(C)=C/c2ccccc2)SC1=S	5024498	RDHSOWACLQHPCJ-COVZNBLNSA-N	367.495	5.047	10	50	FKCA	
CCOc1cc2c(c([N+](=O)[O-])c1)N[C@H](c1ccc(Cl)cc1)[C@H]1CC=C[C@H]21	4132382	QYAKBOFMEYSGMR-TXPKVOOTSA-N	370.836	5.473	10	50	FKCA	
Cc1ccc(N2C(=O)/C(=C/c3cccc4ccccc34)SC2=S)cc1	1182048	ZSAUKWPBVDTPOI-UYRXBGFRSA-N	361.491	5.554	10	50	FKCA	
Cc1ccc(-c2ccc(CCC(=O)O)n2-c2cccc(C(F)(F)F)c2)cc1	1150743	BFYSFCGZWXWMNF-UHFFFAOYSA-N	373.374	5.489	10	50	FKCA	
C[C@@H](c1cccc(-c2ccc(Oc3ccc(N)cn3)cc2)c1)N1CCCC1	426563196	USFGINXZFMMZCN-KRWDZBQOSA-N	359.473	5.280	10	50	FKCA	
CC[n+]1c(/C=C/C=C/c2ccc(N(C)C)cc2)ccc2cc(N(C)C)ccc21	2565778	BCVRWZODRSBEQZ-UHFFFAOYSA-N	372.536	5.006	10	50	FKCA	in-vitro
CCOc1ccc(Nc2ccc3noc4c3c2C(=O)c2ccccc2-4)cc1	710991	JSPOSJVHULFUFM-UHFFFAOYSA-N	356.381	5.182	10	50	FKCA	
CSc1ccc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)cc1	1131351	STYNSQDGIISKKI-BOPFTXTBSA-N	371.552	5.118	10	50	FKCA	
CC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc(Cl)c1Cl)N2	4797779	XULLAXYAWDWZNJ-ARGWCVDVSA-N	373.283	5.778	10	50	FKCA	
CC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Br)cc1)N2	101084332	HMRIBYMYZOWQDH-FUHIMQAGSA-N	368.274	5.478	10	50	FKCA	
COc1cc([C@@H]2Nc3c(Cl)cccc3[C@H]3C=CC[C@H]32)cc(OC)c1OC	871789	DQBFJWJQHQGVAU-KSMMKXTCSA-N	371.864	5.192	10	50	FKCA	
Cc1cccc(N[C@H](c2cccc(F)c2)c2ccc3ccc(C)nc3c2O)n1	1168663	GVZQVZRICYOVPZ-OAQYLSRUSA-N	373.431	5.293	10	50	FKCA	
Cc1ccc([C@H](Nc2ccccn2)c2ccc3ccc(C)nc3c2O)cc1	1169080	OJAIFUHEEXDAOM-NRFANRHFSA-N	355.441	5.154	10	50	FKCA	
CCOc1cc2c(c([N+](=O)[O-])c1)N[C@H](c1ccccc1Cl)[C@H]1CC=C[C@@H]21	13615411	YXSBZOLMTQZULH-TYILLQQXSA-N	370.836	5.473	10	50	FKCA	
CCCCCCN1C(=O)/C(=C/C2=Cc3ccccc3O[C@H]2C)SC1=S	1777608	QTAUDCQKLKEGPA-RVAQLADHSA-N	373.543	5.175	10	50	FKCA	
Cc1c(C(=O)O)ccc2c1N[C@H](c1cccc(C(F)(F)F)c1)[C@H]1CC=C[C@@H]21	654992	OBZCGXZLOPIXLW-JTDSTZFVSA-N	373.374	5.539	10	50	FKCA	
COc1ccc(C2Nc3cccc4cccc(c34)N2)cc1Br	863885	QWXCECQPTQHCKS-UHFFFAOYSA-N	355.235	5.147	10	50	FKCA	
COC(=O)c1cccc2c1N[C@H](c1ccc(Cl)cc1Cl)[C@H]1CC=C[C@@H]21	1150586	YSGXVDFQKIZNCE-VBHSOAQHSA-N	374.267	5.607	10	50	FKCA	
CC[C@@]1(C)C[C@](CCNCc2ccccc2O)(c2ccc(C)cc2)CCO1	4316733	AZZXQPIFKYDBCE-BJKOFHAPSA-N	367.533	5.097	10	50	FKCA	
CCc1ccc(/C=C2\SC(=S)N(CCCc3ccccc3)C2=O)s1	15011168	PQCPFHGSSOUIMX-LGMDPLHJSA-N	373.568	5.145	10	50	FKCA	
COc1ccc2c(c1)c(=O)oc1cc(OC/C=C/c3ccccc3)ccc12	2868058	LGBFCEWGUNMXLD-VMPITWQZSA-N	358.393	5.047	10	50	FKCA	biogenic
COc1cc(/N=N/c2ccc(C(C)=O)cc2)ccc1N1Cc2ccccc2C1	4774681	DMALVDAHXGFIGN-OCOZRVBESA-N	371.440	5.833	10	50	FKCA	
COc1cccc(N2C(=O)/C(=C/C(C)=C/c3ccccc3)SC2=S)c1	5024853	HKKWIOSGPNYSPS-UJUKKVGJSA-N	367.495	5.047	10	50	FKCA	
CC(=C\c1ccccc1)/C=C1/SC(=S)N(c2cccc(F)c2)C1=O	13602657	WCTIUKHSJXJTCK-YAXRHUFXSA-N	355.459	5.178	10	50	FKCA	
Oc1ccc(NCc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1	2845603	PBSZYFJMQLQSBS-UHFFFAOYSA-N	374.267	5.890	10	50	FKCA	
CC1=NN(c2ccc3ccccc3c2)C(=O)/C1=C\c1ccc(O)c(Cl)c1	15016591	RWBGAJDXUCSVJJ-ZDLGFXPLSA-N	362.816	5.005	10	50	FKCA	
O=[N+]([O-])c1cccc([C@@H]2Nc3c(ccc(Cl)c3Cl)[C@@H]3C=CC[C@H]32)c1	229961610	RLZXBKNCASYLLY-XNJGSVPQSA-N	361.228	5.728	10	50	FKCA	
C=CNc1cc(Oc2ccccc2)c2noc3c2c1C(=O)c1ccccc1-3	4770060	ZJBGYFZLVYYBGO-UHFFFAOYSA-N	354.365	5.387	10	50	FKCA	
Cc1nc(-c2cc(C)n(-c3ccc(OC(F)(F)F)cc3)c2C)cs1	1875390431	VKNWKZMZCLSMED-UHFFFAOYSA-N	352.381	5.425	10	50	FKCA	
COc1ccc2c(c1)c(=O)oc1cc(OCc3cc(C)cc(C)c3)ccc12	1108440	ZRQCHSWAHBFEPL-UHFFFAOYSA-N	360.409	5.151	10	50	FKCA	biogenic
COc1ccc(-n2cnc3cc(NCc4ccc(Cl)cc4)ccc32)cc1	1209029	WZZXYDZGTLLJGD-UHFFFAOYSA-N	363.848	5.300	10	50	FKCA	
CC1=NN(c2ccccc2)C(=O)[C@H]1/N=N/c1ccc(Oc2ccccc2)cc1	102148578	XDMFJQPCEZQBAF-ZGBROZEESA-N	370.412	5.354	10	50	FKCA	
Cc1ccnc(N[C@@H](c2ccccc2C)c2ccc3cccnc3c2O)c1	4123972	PZMILTQIKJUYDG-QFIPXVFZSA-N	355.441	5.154	10	50	FKCA	
Cc1ccc(-n2nc(C)c(N=Nc3cccc([N+](=O)[O-])c3)c2C)cc1Cl	252469992	GPZLDCRQONSKJS-UHFFFAOYSA-N	369.812	5.775	10	50	FKCA	
Cc1ccnc(N[C@@H](c2cc(C)ccc2C)c2ccc3cccnc3c2O)c1	2882580	MJOVUJAJAWRAIY-HSZRJFAPSA-N	369.468	5.462	10	50	FKCA	
O=C1/C(=C/c2cccs2)SC(=S)N1c1ccc(Cl)c(Cl)c1	1136275	HKJPGABRZSRATC-GHXNOFRVSA-N	372.323	5.461	10	50	FKCA	
CCc1cccc2c(/C=C3/SC(=S)N(c4ccccc4)C3=O)c[nH]c12	1155969	ITFYKLUNLMXXHP-GZTJUZNOSA-N	364.495	5.136	10	50	FKCA	
O=C(N[C@@H](c1ccccc1)c1ccc2ccccc2c1O)C1CCCCC1	2999503	DNRKZQXZGPDJLA-QFIPXVFZSA-N	359.469	5.331	10	50	FKCA	
Cc1ccc2c(c1)c1c3n2CCCN(Cc2ccc(N(C)C)cc2)[C@H]3CCC1	5032390	NMGNBTNLLBPINX-DEOSSOPVSA-N	373.544	5.299	10	50	FKCA	
Brc1cc2c(cc1[C@H]1Nc3ccccc3[C@H]3C=CC[C@H]31)OCO2	13151537	YOLTZIVRJAPVPH-MVBJNABHSA-N	370.246	5.004	10	50	FKCA	in-vitro
CCC(=O)N1c2ccc3ccccc3c2[C@@H]2C=CC[C@H]2[C@H]1c1ccc(F)cc1	215819361	PZKJXQMZGASNOK-DNRQZRRGSA-N	371.455	6.137	10	50	FKCA	
O=[N+]([O-])c1cccc2c1N[C@H](c1cccc(Cl)c1Cl)[C@H]1CC=C[C@H]21	4045282	UFJADWJZTAAWOZ-DINDLPBHSA-N	361.228	5.728	10	50	FKCA	
Cc1ccc2ccc([C@H](Nc3ccccn3)c3sccc3C)c(O)c2n1	19843130	WNWPRKWIJGVALY-IBGZPJMESA-N	361.470	5.215	10	50	FKCA	
Clc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1Br)N2	169684200	TZQPTTWPVVISMV-VBHSOAQHSA-N	360.682	5.929	10	50	FKCA	
CC(C)Nc1c(Cl)c(Cl)c(Cl)c2c1C(=O)c1ccccc1C2=O	4791012	CXKIEZXBHZGATB-UHFFFAOYSA-N	368.647	5.243	10	50	FKCA	
COc1ccc(Cl)c2c1N[C@H](c1cccc3ccccc13)[C@@H]1CC=C[C@H]21	5126430	SCCMJLKLLDFBGV-AQOAWAETSA-N	361.872	6.328	10	50	FKCA	
Cc1nc(N)sc1-c1csc(Nc2ccc(Cl)cc2Cl)n1	2860447	VUIIHCNJBGUMEI-UHFFFAOYSA-N	357.291	5.208	10	50	FKCA	
Cc1cccc(N[C@@H](c2ccsc2)c2ccc3ccc(C)nc3c2O)n1	5900688	XUADLNPKLQUVPV-IBGZPJMESA-N	361.470	5.215	10	50	FKCA	
C[C@H]1CN(c2ccc(/N=N/c3ccc(Br)cc3)cc2)C[C@@H](C)O1	4774714	IWGLIGZYIZOBGD-ZJRXQIJFSA-N	374.282	5.478	10	50	FKCA	
CN1C(=O)/C(=C/c2ccc(-c3cccc(Cl)c3Cl)o2)SC1=S	1206591	XSAJKKNYJVZKQH-GHXNOFRVSA-N	370.282	5.084	10	50	FKCA	
O=C1/C(=C/c2cccc3ccccc23)SC(=S)N1C1CCCCC1	2682578	MKVVWUQFEAXNTR-AQTBWJFISA-N	353.512	5.374	10	50	FKCA	
COC(=O)c1cccc2c1N[C@H](c1ccc(Cl)cc1Cl)[C@H]1CC=C[C@H]21	4819032	YSGXVDFQKIZNCE-LXIYXOSZSA-N	374.267	5.607	10	50	FKCA	
O=[N+]([O-])c1ccc([C@@H]2Nc3c(cccc3C(F)(F)F)[C@H]3C=CC[C@@H]32)cc1	5015721	VJDUKWHSBOBGIY-ZQIUZPCESA-N	360.335	5.440	10	50	FKCA	
Cc1ccc([C@@H](Nc2cccc(C)n2)c2ccc3cccnc3c2O)cc1	18173640	KSUCEXYJUGNPFV-OAQYLSRUSA-N	355.441	5.154	10	50	FKCA	
O=C1/C(=C\C=C\C=C\Nc2ccccc2)SC(=S)N1c1ccccc1	15937644	GLGMJDOUBDDWFW-UGJBXHAQSA-N	364.495	5.117	10	50	FKCA	
CCN(CC)CCNc1ccc(/N=N/c2ccc(O)cc2)c2ccccc12	96026665	YVRSPWOVYBVGLA-OCOZRVBESA-N	362.477	5.715	10	50	FKCA	
CC(C)N1C(=O)/C(=C\c2ccc(-c3cccc(Cl)c3)o2)SC1=S	1021549	NJVSLAWQVUIEIU-OQLLNIDSSA-N	363.891	5.210	10	50	FKCA	
COc1ccc([C@H]2C[C@](C)(c3ccc(OC)cc3)Nc3ccccc3N2)cc1	884967	IWKLXNHIGJNDLO-DNQXCXABSA-N	374.484	5.588	10	50	FKCA	
CCOc1cc2c(c([N+](=O)[O-])c1)N[C@H](c1ccc(Cl)cc1)[C@H]1CC=C[C@@H]21	12436449	QYAKBOFMEYSGMR-JTDSTZFVSA-N	370.836	5.473	10	50	FKCA	
O=C(Nc1ccc2c3c1[C@@H]1C=CC[C@@H]1CN3C[C@H]1CC=C[C@@H]21)c1ccccc1	245235637	MNBORNQQBDLOFQ-UAFMIMERSA-N	368.480	5.092	10	50	FKCA	
CCc1ccc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)cc1	2990950	SVCIKUFACGJCMY-MHWRWJLKSA-N	359.903	5.308	10	50	FKCA	
CC(C)(C)C(=O)C[C@@H](c1ccc(Cl)cc1)C1C(=O)c2ccccc2C1=O	100653214	VHXALDBWMLLVFW-KRWDZBQOSA-N	368.860	5.124	10	50	FKCA	
COc1cccc2c1N[C@H](c1ccccc1Br)[C@H]1CC=C[C@H]21	4718518	YNUVXNCCCNRBDU-LXIYXOSZSA-N	356.263	5.284	10	50	FKCA	
CC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1Cl)N2	4048154	PKAWVAYJGJHNQI-QEEYODRMSA-N	373.283	5.778	10	50	FKCA	
COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1cccc(F)c1)N2	111478177	COGZNDMCDPGNTO-HBUWYVDXSA-N	357.812	5.092	10	50	FKCA	
O=C1/C(=C/c2cccs2)SC(=S)N1c1cccc(C(F)(F)F)c1	1196552	DKRUYCQXZHYKFG-WQLSENKSSA-N	371.430	5.173	10	50	FKCA	
O=[N+]([O-])c1ccc([C@@H]2Nc3cc(Cl)cc(Cl)c3[C@@H]3C=CC[C@H]32)cc1	229907683	OMFZKADNEBEVIC-LBTNJELSSA-N	361.228	5.728	10	50	FKCA	
CNc1cc(Nc2ccc(C)cc2)c2c3c(onc13)-c1ccccc1C2=O	1193742	OOTRWOALDNFGJD-UHFFFAOYSA-N	355.397	5.133	10	50	FKCA	
COc1cc([N+](=O)[O-])cc2c1N[C@H](c1cccc3ccccc13)[C@H]1CC=C[C@H]21	4132217	FBHJZSNFOSACII-LQBOVUBWSA-N	372.424	5.583	10	50	FKCA	
O=C1/C(=C\c2ccccc2C(F)(F)F)SC(=S)N1C1CCCCC1	3000027	WHSGYLLIBCAAMA-GXDHUFHOSA-N	371.449	5.239	10	50	FKCA	
O=C1/C(=C/c2c(F)cccc2Cl)SC(=S)N1C1CCCCC1	15015217	UZELVPYNUYGTGO-ZROIWOOFSA-N	355.887	5.013	10	50	FKCA	
CC(C)(C)C(=O)C[C@H](c1ccc(Cl)cc1)C1C(=O)c2ccccc2C1=O	100653220	VHXALDBWMLLVFW-QGZVFWFLSA-N	368.860	5.124	10	50	FKCA	
Cc1ccc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)s1	1139877	TXZVKAXFYNYWSU-MDWZMJQESA-N	351.905	5.116	10	50	FKCA	
COc1ccc(Cl)c2c1N[C@H](c1cccc3ccccc13)[C@H]1CC=C[C@H]21	5126425	SCCMJLKLLDFBGV-SGXKBVARSA-N	361.872	6.328	10	50	FKCA	
CC(/C=C1\SC(=S)N(c2ccc(F)cc2)C1=O)=C\c1ccccc1	13685500	RPESYDKFVNFVGG-YMGXUNRSSA-N	355.459	5.178	10	50	FKCA	
CC(C)(C)c1ccc(OCc2nc(-c3ccc(-n4cccc4)cc3)no2)cc1	1423488	JXHMJXDJPOPWKF-UHFFFAOYSA-N	373.456	5.404	10	50	FKCA	
CC(C)(C)c1cc(CN2CCc3ccccc3C2)c(O)c(C(C)(C)C)c1	4987519	BCTZXPGBQFHLRF-UHFFFAOYSA-N	351.534	5.546	10	50	FKCA	
Cc1nn(-c2cccc(Cl)c2)c(C)c1/N=N/c1cccc([N+](=O)[O-])c1	17070432	BXYJRVYZKFVBSI-FMQUCBEESA-N	355.785	5.466	10	50	FKCA	
O=[N+]([O-])c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Br)cc1)N2	13562227	GWVXFYIUCYDRTM-RKVPGOIHSA-N	371.234	5.184	10	50	FKCA	
CC1=NN(c2ccccc2)C(=O)[C@H]1/N=N/c1ccc(Nc2ccccc2)cc1	102148333	SUDMOXWVGPFARD-PWKIUMOWSA-N	369.428	5.305	10	50	FKCA	
CCCCCN1C(=O)/C(=C\c2ccc(Cl)c(Cl)c2)SC1=S	5502599	AQJLTDODFJFNTE-UKTHLTGXSA-N	360.331	5.385	10	50	FKCA	
O=C(O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1C(F)(F)F)N2	111442376	RRCBSKUUIZVMFI-VFVRVIDISA-N	359.347	5.230	10	50	FKCA	
O=C(O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1Cl)N2	4182060	DLSUYVWZOWUVHV-FHSNZYRGSA-N	360.240	5.518	10	50	FKCA	
Cc1ccccc1/N=N/c1ccc(NC(=O)COc2ccccc2)cc1C	4713712	JMNRJPJKZBOZCQ-OCOZRVBESA-N	359.429	5.736	10	50	FKCA	
CCc1ccc([C@H](Nc2ccccn2)c2ccc3cccnc3c2O)cc1	4123935	GKKHBDOWRWTQKO-NRFANRHFSA-N	355.441	5.099	10	50	FKCA	
O=C(/N=N/C(=O)OCc1ccc(Cl)cc1)OCc1ccc(Cl)cc1	100002163	UIFGGABIJBWRMG-FMQUCBEESA-N	367.188	5.419	10	50	FKCA	in-vitro
O=[N+]([O-])c1cccc2c1N[C@H](c1ccc(Br)cc1)[C@H]1CC=C[C@H]21	4714157	OOLONEOOAVEPSE-GRDNDAEWSA-N	371.234	5.184	10	50	FKCA	
CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2	4714138	IYZAIFSSWYYPKS-QEEYODRMSA-N	353.849	5.343	10	50	FKCA	
O=C(Cc1ccccc1)Nc1ccc(Oc2cccc3ccccc23)cc1	991714	ZOJAZVUPGDEPPM-UHFFFAOYSA-N	353.421	5.813	10	50	FKCA	
CC(C)COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(F)cc1)N2	169690007	ZCCKRUSIGVOBGI-WOIUINJBSA-N	365.448	5.465	10	50	FKCA	
COc1ccc2c(c1)c(=O)oc1c(C)c(OCc3cc(C)ccc3C)ccc12	1165191	GZSAKCWHZNGTCU-UHFFFAOYSA-N	374.436	5.459	10	50	FKCA	
Cc1cccc(N2C(=O)/C(=C\c3ccc(C(C)C)cc3)SC2=S)c1	33381658	VJTUFOZKJZBSAY-LDADJPATSA-N	353.512	5.524	10	50	FKCA	
Cc1cc(/N=N/c2c(O)ccc3ccccc23)c(CCCC(=O)O)s1	110038477	SHIKYAPGKPJJLP-QZQOTICOSA-N	354.431	5.738	10	50	FKCA	
CC(=O)Oc1c(-c2ccccc2)c2nc3ccccc3nc2c2ccccc12	3904182	OUVCHRSLUIASEL-UHFFFAOYSA-N	364.404	5.529	10	50	FKCA	
Cc1ccc(NC2=NC(=O)/C(=C/C=C/c3ccccc3)S2)cc1Cl	2889489	OWYGBHJBLNXBQE-WIXUPIFPSA-N	354.862	5.287	10	50	FKCA	
Cc1ccc(/N=N/c2ccc(C)cc2NC(=O)Nc2ccccc2F)cc1	18098114	NHKDQFMLMCPBLJ-OCEACIFDSA-N	362.408	6.502	10	50	FKCA	
Oc1ccc(NCc2cc(Cl)ccc2OCc2ccc(Cl)cc2)cc1	2160163	APORDOAPOHMOQP-UHFFFAOYSA-N	374.267	5.890	10	50	FKCA	
O=[N+]([O-])c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc(Br)c1)N2	16425427	FOSRYHLDXZPQHJ-RKVPGOIHSA-N	371.234	5.184	10	50	FKCA	
Cc1cccc(N2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)c1C	970667	DFJWQRIHCAHORV-KHFJBXOGSA-N	351.496	5.265	10	50	FKCA	
CCCC[C@H](CC)CN1C(=O)/C(=C/c2ccccc2Cl)SC1=S	2678119	YZUVYSJJUJJARI-RERGGYADSA-N	367.967	5.758	10	50	FKCA	
O=C(O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1Cl)N2	4182064	DLSUYVWZOWUVHV-SNUQEOBHSA-N	360.240	5.518	10	50	FKCA	
CN(C)c1ccc(/C=C/c2cc(C(C)(C)C)[s+]c(C(C)(C)C)c2)cc1	146572203	KIUPFQASVSSCAV-MDZDMXLPSA-N	354.583	6.861	10	50	FKCA	
O=C(Nc1ccc(/N=N/c2ccccc2)cc1)C12CC3CC(CC(C3)C1)C2	5165291	HHICPBCEZBRIMG-OCEACIFDSA-N	359.473	6.257	10	50	FKCA	
Cc1ccc(-c2cc(C(=O)O)c(C)n2-c2ccc(Cl)c(Cl)c2)cc1C	4237784	FQWAWFKUWCYNFG-UHFFFAOYSA-N	374.267	6.075	10	50	FKCA	
CC(=C\c1ccco1)/C=C1/SC(=S)N(c2cccc(Cl)c2)C1=O	4819665	DKBYHCOOIPUABX-UMPOCWKLSA-N	361.875	5.285	10	50	FKCA	
CCc1ccc(/C(C)=C2\SC(=S)N(c3cccc(OC)c3)C2=O)cc1	16212856	JUVBNUBFKWIEPX-AQTBWJFISA-N	369.511	5.054	10	50	FKCA	
O=C1/C(=C\c2ccccc2)N=C(c2ccccc2)N1c1ccc(Cl)cc1	3138868	CXMPJXLGDNJEIG-HMMYKYKNSA-N	358.828	5.175	10	50	FKCA	
CCN1/C(=C/C=C\c2sc3ccccc3[n+]2CC)Sc2ccccc21	4824262	JGLWGLKNDHZFAP-UHFFFAOYSA-N	365.547	5.696	10	50	FKCA	in-man
O=C1/C(=C\c2ccc(Cl)c(Cl)c2)SC(=S)N1C1CCCCC1	2667400	BMXORNWOPJCWAM-NTEUORMPSA-N	372.342	5.527	10	50	FKCA	
Cc1cccc(C(=O)C[C@@H](c2ccccc2)C2C(=O)c3ccccc3C2=O)c1	100363937	FQKNRNWCQWANCM-NRFANRHFSA-N	368.432	5.047	10	50	FKCA	
O=[N+]([O-])c1cccc(-c2c(O)c3ccccc3c3nc4ccccc4nc23)c1	6475068	DVPBHSCWKGCSMQ-UHFFFAOYSA-N	367.364	5.217	10	50	FKCA	
Cc1ccc(C)c([C@@H](Nc2ccccn2)c2ccc3cccnc3c2O)c1	668638	SMVGLVQESZULKI-QFIPXVFZSA-N	355.441	5.154	10	50	FKCA	
O=C1/C(=C\c2c(F)cccc2Cl)SC(=S)N1C1CCCCC1	1221151	UZELVPYNUYGTGO-NTEUORMPSA-N	355.887	5.013	10	50	FKCA	
O=C1c2ccccc2-c2nnc(-c3ccc(Oc4ccccc4)cc3)cc21	1383533	NTLFMDWVVJWECJ-UHFFFAOYSA-N	350.377	5.147	10	50	FKCA	
COc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccc(Cl)cc1)[C@@H]1CC=C[C@H]21	4132340	MQFPOFQOAUDEHK-HDMKZQKVSA-N	356.809	5.083	10	50	FKCA	
Cc1ccc([C@H](NC(=O)c2ccccc2)c2c(O)ccc3ccccc23)cc1	2870073	LIZHBHDJURJEQM-DEOSSOPVSA-N	367.448	5.373	10	50	FKCA	
O=C1/C(=C/c2ccc(Cl)c(Cl)c2)SC(=S)N1C1CCCCC1	13615171	BMXORNWOPJCWAM-ZROIWOOFSA-N	372.342	5.527	10	50	FKCA	
COc1cccc2c1N[C@H](c1ccc(Br)cc1)[C@@H]1CC=C[C@H]21	4697687	KALBJMORMNIBFA-HDMKZQKVSA-N	356.263	5.284	10	50	FKCA	
CNc1ccc2ccccc2c1/N=N/c1ccc(/N=N/c2ccccc2)cc1	4517708	NVNDCGNXYIBOLU-PAMTUDGESA-N	365.440	7.712	10	50	FKCA	
CC(C)c1cc(NS(=O)(=O)c2ccc(Cl)cc2)cc(C(C)C)c1O	598406	BLJDUFLWURYBFO-UHFFFAOYSA-N	367.898	5.093	10	50	FKCA	
C(\Nc1ccc(/N=N/c2ccccc2)cc1)=C1\c2ccccc2-c2ncccc21	22782251	SRVXEWFQZGDYHY-LEBYMNMRSA-N	374.447	6.979	10	50	FKCA	
CCCCCCN1C(=O)/C(=C\c2ccc(C(C)(C)C)cc2)SC1=S	5502016	ZSTRSYFLTUTIEP-SAPNQHFASA-N	361.576	5.766	10	50	FKCA	
COc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccc(Cl)cc1)[C@H]1CC=C[C@H]21	4132333	MQFPOFQOAUDEHK-RLFYNMQTSA-N	356.809	5.083	10	50	FKCA	
Cc1ccc(N[C@@H](c2cccnc2)c2ccc3cccnc3c2O)cc1C	5009305	CASMHCYOFNJALE-NRFANRHFSA-N	355.441	5.154	10	50	FKCA	
O=C(N[C@H](c1ccccc1)c1c(O)ccc2ccccc12)c1ccccc1	754563	LJPQIKDPFBLLAL-HSZRJFAPSA-N	353.421	5.065	10	50	FKCA	
O=[N+]([O-])c1ccc([C@@H]2Nc3c(ccc(Cl)c3Cl)[C@@H]3C=CC[C@H]32)cc1	229961882	ZPJKTDFWUDJHPJ-XNJGSVPQSA-N	361.228	5.728	10	50	FKCA	
Nc1ccc(Oc2ccc(-c3ccc(Oc4ccc(N)cc4)cc3)cc2)cc1	641914	HYDATEKARGDBKU-UHFFFAOYSA-N	368.436	6.103	10	50	FKCA	in-vitro
Cc1ccc([C@H](NC(=O)C2CCCCC2)c2ccc3cccnc3c2O)cc1	869248	VXOYNYANFXYNKY-NRFANRHFSA-N	374.484	5.035	10	50	FKCA	
O=C1/C(=C/c2cccc3ccccc23)SC(=S)N1c1cccc(F)c1	1135975	DOOSCFYKIWCDMG-WQRHYEAKSA-N	365.454	5.385	10	50	FKCA	
CCCC[C@H](CC)CN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S	2905762	QBJUTJZSKWWVRL-RERGGYADSA-N	351.512	5.243	10	50	FKCA	
COc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Br)cc1)N2	169617005	YICQHNQSRVIXEH-GPMSIDNRSA-N	356.263	5.284	10	50	FKCA	
COc1ccc(Nc2ccc(/N=N/c3nc4ccccc4n3C)cc2)cc1	5588905	SXKXBFAKBVXYQS-OCOZRVBESA-N	357.417	5.741	10	50	FKCA	
Cc1ccc(/N=N/c2ccc(C)cc2NC(=O)c2ccccc2Cl)cc1	4776849	UKQBKIRGDGYUMU-OCOZRVBESA-N	363.848	6.625	10	50	FKCA	
CN(C)c1ccc(-c2nc3ccccc3n2CCCOc2ccccc2)cc1	13030695	HSVOVNYYGZAQLO-UHFFFAOYSA-N	371.484	5.238	10	50	FKCA	
c1ccc(COc2cccc(C3Nc4cccc5cccc(c45)N3)c2)cc1	2329065	CQXMMRLRDPAWFH-UHFFFAOYSA-N	352.437	5.955	10	50	FKCA	
Clc1cccc2c1N[C@H](c1ccc(OC3CSC3)cc1)[C@@H]1CC=C[C@@H]21	13389277	PMSJPCTYTIHYLR-MBOZVWFJSA-N	369.917	5.661	10	50	FKCA	
CC(C)COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2	4124117	ZCCKRUSIGVOBGI-DXIQSLLYSA-N	365.448	5.465	10	50	FKCA	
O=C(O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1C(F)(F)F)N2	5244587	RRCBSKUUIZVMFI-FHSNZYRGSA-N	359.347	5.230	10	50	FKCA	
COC(=O)c1ccc([C@@H]2Nc3c(cccc3C(F)(F)F)[C@H]3C=CC[C@@H]32)cc1	4759075	PVDJZHCWTWIQEG-MPGHIAIKSA-N	373.374	5.319	10	50	FKCA	
O=C(Nc1ccc2c3c1[C@@H]1C=CC[C@@H]1CN3C[C@@H]1CC=C[C@@H]21)c1ccccc1	169693116	MNBORNQQBDLOFQ-MTQWCTHYSA-N	368.480	5.092	10	50	FKCA	
O=C(O)c1ccc([C@@H]2Nc3cc(Cl)cc(Cl)c3[C@H]3C=CC[C@H]32)cc1	4690401	GGFWWCDGQIOLDN-IYOUNJFTSA-N	360.240	5.518	10	50	FKCA	
Oc1ccc(-c2nc3ccccc3s2)cc1CNCC1CCCCC1	299761308	VAFULAMBFKJADZ-UHFFFAOYSA-N	352.503	5.339	10	50	FKCA	
Cc1ccc([C@@H](Nc2ccccn2)c2ccc3ccc(C)nc3c2O)cc1	1169081	OJAIFUHEEXDAOM-OAQYLSRUSA-N	355.441	5.154	10	50	FKCA	
CCCCc1ccc(/N=N/C2=NN(c3cccc(Cl)c3)C(=O)[C@@H]2C)cc1	4989690	FDEBWDMEPPVBIL-DGIAWOHRSA-N	368.868	5.763	10	50	FKCA	
CCCOc1ccc2ccccc2c1/C=C1/C(=O)N(c2ccccc2)N=C1C	4819448	LMCDOFPYVQDLTD-LTGZKZEYSA-N	370.452	5.435	10	50	FKCA	
Oc1c(-c2cccc(Cl)c2)c2nc3ccccc3nc2c2ccccc12	4322711	JNWPKFOHPBXGFU-UHFFFAOYSA-N	356.812	5.962	10	50	FKCA	
O=[N+]([O-])c1ccc([C@@H]2Nc3cc(Br)ccc3[C@H]3C=CC[C@H]32)cc1	5050658	IKKHCPCGKDSXFD-KYJSFNMBSA-N	371.234	5.184	10	50	FKCA	
O=C1/C(=C\c2ccccc2F)SC(=S)N1c1cccc2ccccc12	13517463	QGEHBEGSMLJNLT-LDADJPATSA-N	365.454	5.385	10	50	FKCA	
CN(C)c1ccc([C@H]2CC(c3ccc(F)cc3)=NN2c2ccccc2)cc1	4140728	FWANESALLNCYOV-HSZRJFAPSA-N	359.448	5.247	10	50	FKCA	
COc1ccc2c(c1)c(=O)oc1c(C)c(O[C@@H](C)c3ccccc3)ccc12	1164568	CIJXCVMZCYFXHO-HNNXBMFYSA-N	360.409	5.403	10	50	FKCA	
Cc1ccc2cc(C3=C/C(=C/c4ccc(C)c([N+](=O)[O-])c4)C(=O)O3)ccc2c1	5022980	NGFADXPXUHGYTB-JMIUGGIZSA-N	371.392	5.346	10	50	FKCA	
COc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccccc1Cl)[C@@H]1CC=C[C@@H]21	13615462	JXFRGZVADRPIBI-VFVRVIDISA-N	356.809	5.083	10	50	FKCA	
O=C(Oc1ccccc1)c1cc(N=Nc2ccccc2)c2ccccc2c1O	254399958	FKGNONHHAHPBEX-UHFFFAOYSA-N	368.392	6.180	10	50	FKCA	
O=[N+]([O-])c1cccc([C@@H]2Nc3c(cccc3C(F)(F)F)[C@@H]3C=CC[C@H]32)c1	229968483	GUMYAJPIZJIQQG-CPUCHLNUSA-N	360.335	5.440	10	50	FKCA	
CCOc1cc2c(c([N+](=O)[O-])c1)N[C@H](c1ccc(Cl)cc1)[C@@H]1CC=C[C@H]21	4132385	QYAKBOFMEYSGMR-FRQCXROJSA-N	370.836	5.473	10	50	FKCA	
COc1ccc(Br)cc1[C@@H]1Nc2ccc(F)cc2[C@@H]2C=CC[C@@H]21	871795	YGLAUQAYNBUDIJ-BIENJYKASA-N	374.253	5.423	10	50	FKCA	
Oc1ccc(C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)cc1O	4172310	SVEJYYUKKJRQCO-UHFFFAOYSA-N	354.409	5.241	10	50	FKCA	
COc1cccc2c1N[C@H](c1ccccc1Br)[C@H]1CC=C[C@@H]21	13633917	YNUVXNCCCNRBDU-VBHSOAQHSA-N	356.263	5.284	10	50	FKCA	
Cc1cc(N=Nc2ccc([N+](=O)[O-])cc2)ccc1N1Cc2ccccc2C1	254770616	CQJNHPGLJPTIQF-UHFFFAOYSA-N	358.401	5.839	10	50	FKCA	
CC[n+]1c(/C=C/C=C2/N(C)c3ccccc3C2(C)C)sc2ccccc21	2912418	NIAOXEKTWMHVEO-UHFFFAOYSA-N	361.534	5.533	10	50	FKCA	in-vitro
Oc1c(-c2ccc(Cl)cc2)c2nc3ccccc3nc2c2ccccc12	3902000	CMRWOCCVFSODSI-UHFFFAOYSA-N	356.812	5.962	10	50	FKCA	
O=C(O)c1ccc([C@@H]2Nc3c(Cl)cc(Cl)cc3[C@H]3C=CC[C@H]32)cc1	4826570	IQZKBDLGUPNMAH-VBQJREDUSA-N	360.240	5.518	10	50	FKCA	
CN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC1=S	4892214	OMYKVOJSIQKDEV-NTUHNPAUSA-N	370.282	5.084	10	50	FKCA	
COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc3ccccc13)N2	4854855	VGGQQFMDNDVTNO-XQFWAAQXSA-N	355.437	5.453	10	50	FKCA	
COc1ccc(Cl)c2c1N[C@H](c1cccc([N+](=O)[O-])c1)[C@H]1CC=C[C@@H]21	1461865	VFMDMFIWJNIQKU-QWQRMKEZSA-N	356.809	5.083	10	50	FKCA	
CN(C)c1ccc([C@@H]2C=Cc3ccccc3N2C(=O)c2ccccc2)cc1	630705	HYJWDSUGACWKLB-QHCPKHFHSA-N	354.453	5.168	10	50	FKCA	
CSc1ccc(NC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)cc1	18157131	NJIGGNLWHBFMDE-WCWDXBQESA-N	362.458	6.468	10	50	FKCA	
Cc1ccc(/N=N/c2ccc(C)cc2NC(=O)C(Cl)(Cl)Cl)cc1	4794140	ACLRQUAAYMMIQZ-QURGRASLSA-N	370.667	6.028	10	50	FKCA	
C=CC(=O)Oc1ccc(/N=N/c2ccc(/N=N/c3ccccc3)cc2)cc1C	6826011	IIXZSPSEXBAJGQ-QSZPNPOGSA-N	370.412	6.917	10	50	FKCA	
O=[N+]([O-])c1ccc([C@@H]2Nc3c(cccc3C(F)(F)F)[C@@H]3C=CC[C@@H]32)cc1	101840144	VJDUKWHSBOBGIY-KEYYUXOJSA-N	360.335	5.440	10	50	FKCA	
Cc1ccnc(N[C@H](c2cccc(F)c2)c2ccc3ccc(C)nc3c2O)c1	4631193	GNDZBZLEBPQIFG-OAQYLSRUSA-N	373.431	5.293	10	50	FKCA	
CNc1cc(NC(=O)OC)ccc1Nc1c2ccccc2nc2ccccc12	29329346	IGUQEQPYIKLRQU-UHFFFAOYSA-N	372.428	5.352	10	50	FKCA	
Cn1c(/N=N/c2c(-c3ccccc3)n(C)c3ccccc23)nc2ccccc21	3876406	HOBNOGCEENWBCV-OCEACIFDSA-N	365.440	6.147	10	50	FKCA	
CC(C)NC(=O)c1ccc2nc3c4ccccc4c4ccccc4c3nc2c1	4697723	QVZWLNTZTYMZCN-UHFFFAOYSA-N	365.436	5.228	10	50	FKCA	
O=C1N=C(c2ccccc2)S/C1=C\c1c2ccccc2cc2ccccc12	2981476	MHCUXQRUZHKYGN-JCMHNJIXSA-N	365.457	6.054	10	50	FKCA	
CCN1C(=O)/C(=C\c2ccc(-c3ccc(C)c(Cl)c3)o2)SC1=S	4471260	GRULKVQXRUIGLO-OQLLNIDSSA-N	363.891	5.130	10	50	FKCA	
CCCC(=O)N[C@H](c1ccccc1Cl)c1c(O)ccc2ccccc12	855798	ZNZNMOOJUMIKCL-OAQYLSRUSA-N	353.849	5.205	10	50	FKCA	
O=[N+]([O-])c1cccc2c1N[C@H](c1ccccc1Br)[C@@H]1CC=C[C@H]21	4859486	KEGSEBMJECUZFC-JKDFXYPNSA-N	371.234	5.184	10	50	FKCA	
C=Cc1ccc(COc2ccc3c(c2)oc(=O)c2cc(OC)ccc23)cc1	1183736	ZVBZGVGDXGRDKX-UHFFFAOYSA-N	358.393	5.177	10	50	FKCA	biogenic
CCN1/C(=C/C=C/c2ccc3ccccc3[n+]2CC)C=Cc2ccccc21	1687632	HQCBCYUEDZNVBO-UHFFFAOYSA-N	353.489	5.598	10	50	FKCA	in-man
O=C1c2ccccc2-c2onc3c(Cl)cc(Sc4ccccc4)c1c23	1187340	RVAYZAPVACXQLU-UHFFFAOYSA-N	363.825	5.844	10	50	FKCA	
COc1ccc(C)c2c1N[C@H](c1ccc(Br)cc1)[C@@H]1CC=C[C@H]21	16425051	HTSZQRISIGVTKT-FRQCXROJSA-N	370.290	5.593	10	50	FKCA	
O=[N+]([O-])c1ccc([C@@H]2Nc3ccc(Br)cc3[C@@H]3C=CC[C@H]32)cc1	101124566	RZZXEWLABHHSFS-RKVPGOIHSA-N	371.234	5.184	10	50	FKCA	
Cc1nn(-c2ccccc2)c(O)c1/N=N/c1ccc(Br)cc1	12412982	MAZSWJBJJAMYAG-VHEBQXMUSA-N	357.211	5.064	10	50	FKCA	
Br/C(=C/c1ccccc1)C1Nc2cccc3cccc(c23)N1	1740252	RFVRCAMLQSPQDD-NTCAYCPXSA-N	351.247	5.439	10	50	FKCA	
O=[N+]([O-])c1ccc([C@@H]2Nc3ccc(-c4ccccc4)cc3[C@H]3C=CC[C@@H]32)cc1	4984033	RHQFVKLDZXSRDJ-HFMPRLQTSA-N	368.436	6.088	10	50	FKCA	
O=[N+]([O-])c1cccc2c1N[C@H](c1ccc(Br)cc1)[C@@H]1CC=C[C@@H]21	13574895	OOLONEOOAVEPSE-CKEIUWERSA-N	371.234	5.184	10	50	FKCA	
CCCOc1ccc(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)cc1	2991853	PFMQDNNEIHWJOE-GZTJUZNOSA-N	373.474	5.020	10	50	FKCA	
CCc1ccc(O[C@H](C)c2nc(-c3ccc(-n4cccc4)cc3)no2)cc1	1423486	BPWRNRLCEFZTNN-MRXNPFEDSA-N	359.429	5.230	10	50	FKCA	
CC[C@@H](c1ccc(OC)cc1)[C@@H](CC)c1ccc(O)c(CN2CCCC2)c1	1758548	BNOMEMSSKXGONB-GOTSBHOMSA-N	367.533	5.684	10	50	FKCA	
CCCCC1(C(c2ccccc2)c2ccccc2)C(=O)c2ccccc2C1=O	2485663	UREHBQCELBKDMB-UHFFFAOYSA-N	368.476	6.074	10	50	FKCA	
Cc1ccc2cc(C3=C/C(=C/c4ccc([N+](=O)[O-])cc4)C(=O)O3)ccc2c1	1201926	SKIUGJVJYVRLMP-ODLFYWEKSA-N	357.365	5.038	10	50	FKCA	
Cc1ccc2cc(C3=C/C(=C/c4ccccc4[N+](=O)[O-])C(=O)O3)ccc2c1	1204197	SIJUZPZHGGYEJF-UNOMPAQXSA-N	357.365	5.038	10	50	FKCA	
CCCCN(CC)C(=S)Nc1ccc(Cl)cc1C(=O)c1ccccc1	2212221	IBIZRFLVPHWLNM-UHFFFAOYSA-N	374.937	5.390	10	50	FKCA	
COc1ccc(C)c2c1N[C@H](c1ccc(Br)cc1)[C@H]1CC=C[C@@H]21	16425045	HTSZQRISIGVTKT-JTDSTZFVSA-N	370.290	5.593	10	50	FKCA	
COc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccccc1Cl)[C@@H]1CC=C[C@H]21	4132317	JXFRGZVADRPIBI-JCGVRSQUSA-N	356.809	5.083	10	50	FKCA	
Cc1cccc(N2C(=O)/C(=C/c3ccc(C(C)C)cc3)SC2=S)c1	2519878	VJTUFOZKJZBSAY-PDGQHHTCSA-N	353.512	5.524	10	50	FKCA	
CC(C)c1ccc(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1	2549292	OYXMRZXBMBIGAW-GZTJUZNOSA-N	373.930	5.869	10	50	FKCA	
Cc1c(C(=O)O)ccc2c1N[C@H](c1cccc(C(F)(F)F)c1)[C@@H]1CC=C[C@H]21	4810906	OBZCGXZLOPIXLW-FRQCXROJSA-N	373.374	5.539	10	50	FKCA	
Cc1ccnc(N[C@H](c2cc(C)ccc2C)c2ccc3cccnc3c2O)c1	2882581	MJOVUJAJAWRAIY-QHCPKHFHSA-N	369.468	5.462	10	50	FKCA	
O=C1/C(=C\c2ccc(Cl)cc2Cl)SC(=S)N1C1CCCCC1	2672537	LCOITHLOSQAPON-RIYZIHGNSA-N	372.342	5.527	10	50	FKCA	
COc1cccc2c1N[C@H](c1cccc(Br)c1)[C@@H]1CC=C[C@@H]21	15659858	ZKVRMLMCPYWBNJ-IIDMSEBBSA-N	356.263	5.284	10	50	FKCA	
COc1cccc2c1N[C@H](c1cccc(Br)c1)[C@H]1CC=C[C@@H]21	847295	ZKVRMLMCPYWBNJ-RVKKMQEKSA-N	356.263	5.284	10	50	FKCA	
O=C1/C(=C/C=C/c2ccccc2)SC(=S)N1CCCc1ccccc1	220962888	ZNJRJADJLPMEGZ-DEJPRBEVSA-N	365.523	5.077	10	50	FKCA	
CCc1ccc([C@@H](Nc2ccccn2)c2ccc3cccnc3c2O)cc1	4123936	GKKHBDOWRWTQKO-OAQYLSRUSA-N	355.441	5.099	10	50	FKCA	
COC(=O)c1ccc([C@@H]2Nc3c(cccc3C(F)(F)F)[C@H]3C=CC[C@H]32)cc1	4759074	PVDJZHCWTWIQEG-DAYGRLMNSA-N	373.374	5.319	10	50	FKCA	
O=C1/C(=C/c2ccccc2C(F)(F)F)SC(=S)N1c1ccccc1	1215352	VEJMYTYEDLRAQF-UVTDQMKNSA-N	365.401	5.111	10	50	FKCA	
Cc1cc(C)c(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)c(C)c1	2999277	HGARYRWRVSCAQF-LICLKQGHSA-N	373.930	5.671	10	50	FKCA	
O=C(c1ccc2c(-c3ccccc3)n[nH]c(-c3ccccc3)c1-2)C(F)(F)F	3039118	HEQKCPCLTDDIHX-UHFFFAOYSA-N	366.342	5.594	10	50	FKCA	
COc1cccc2c1N[C@H](c1ccccc1Br)[C@@H]1CC=C[C@H]21	4718520	YNUVXNCCCNRBDU-JCGVRSQUSA-N	356.263	5.284	10	50	FKCA	
CCN1/C(=C/c2ccc3cc(C)ccc3[n+]2CC)C=Cc2cc(C)ccc21	2835951	RANGDUIFWPVHTM-UHFFFAOYSA-N	355.505	5.658	10	50	FKCA	
Cc1ccccc1N1N=C(c2ccccc2)C[C@@H]1c1ccc(N(C)C)cc1	4851937	ZQAADYRYOPRBDJ-XMMPIXPASA-N	355.485	5.417	10	50	FKCA	
CCN(Cc1ccccc1)Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O	4988420	ZYBBIRBXXBVIGL-UHFFFAOYSA-N	353.550	6.009	10	50	FKCA	
COc1ccc(C(=O)Nc2ccc(/N=N/c3ccccc3C)cc2C)cc1	3896977	CDMJOIQAXLUHSW-OCOZRVBESA-N	359.429	5.980	10	50	FKCA	
Oc1c(Br)cc(-c2ccccc2)cc1/N=N/c1ccccc1	39315679	PSGLDUCHEIENPZ-QZQOTICOSA-N	353.219	6.237	10	50	FKCA	
Clc1cccc2c1N[C@H](c1ccc(OC3CSC3)cc1)[C@@H]1CC=C[C@H]21	4181775	PMSJPCTYTIHYLR-SQGPQFPESA-N	369.917	5.661	10	50	FKCA	
O=[N+]([O-])c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Br)cc1)N2	13562228	GWVXFYIUCYDRTM-IIDMSEBBSA-N	371.234	5.184	10	50	FKCA	
O=[N+]([O-])c1ccc([C@@H]2Nc3c(cccc3C(F)(F)F)[C@H]3C=CC[C@H]32)cc1	5015729	VJDUKWHSBOBGIY-VBQJREDUSA-N	360.335	5.440	10	50	FKCA	
O=C1/C(=C\c2cccc(C(F)(F)F)c2)SC(=S)N1c1ccccc1	12376659	KEBBUWQHCKZBKL-GXDHUFHOSA-N	365.401	5.111	10	50	FKCA	
CCCCN1C(=O)/C(=C\c2cccc(Oc3ccccc3)c2)SC1=S	4820491	MWCOZUJWNLMGFP-NBVRZTHBSA-N	369.511	5.480	10	50	FKCA	
Oc1ccc(-c2ccc(F)cc2)cc1CNCc1cccc2ccccc12	14998895	UONLOKWTZDIXAZ-UHFFFAOYSA-N	357.428	5.641	10	50	FKCA	
CC(=O)N1c2ccc3ccccc3c2[C@@H]2C=CC[C@@H]2[C@H]1c1ccc(F)cc1	975487	RLVZOWSPGCXTFC-ZFGGDYGUSA-N	357.428	5.746	10	50	FKCA	
O=C(O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(Cl)c1Cl)N2	1188566	PNARUOLTJDSYIV-SOZUMNATSA-N	360.240	5.518	10	50	FKCA	
O=[N+]([O-])c1ccc(N[C@@H](c2ccccc2)c2ccc3cccnc3c2O)cc1	3998847	NIPBFFNWSFCRBD-FQEVSTJZSA-N	371.396	5.050	10	50	FKCA	
CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1Cl)N2	4714140	IYZAIFSSWYYPKS-STXHMFSFSA-N	353.849	5.343	10	50	FKCA	
CC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(Cl)c1Cl)N2	12379719	XULLAXYAWDWZNJ-CKNLXJGOSA-N	373.283	5.778	10	50	FKCA	
O=[N+]([O-])c1cc(Br)c2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1)N2	13632966	DXLGAURBTCWZSW-JKIFEVAISA-N	371.234	5.184	10	50	FKCA	
COc1cc2nc(/C=C/c3ccc(N(C)C)cc3)sc2cc1SC	4867645	KACJTYFRTWUNTN-JXMROGBWSA-N	356.516	5.263	10	50	FKCA	aggregator
CC(=O)c1ccc(N=Nc2ccc(N3Cc4ccccc4C3)cc2C)cc1	254825554	HBGHJXFAEIIXHT-UHFFFAOYSA-N	355.441	6.133	10	50	FKCA	
O=[N+]([O-])c1ccccc1[C@@H]1Nc2ccc(Br)cc2[C@H]2C=CC[C@H]21	4859612	IRFHZNUHWKNUKZ-VEVIJQCQSA-N	371.234	5.184	10	50	FKCA	
Oc1ccc(-c2nc3ccccc3s2)cc1CN1CCc2ccccc2C1	20999713	QUMPXWVTPKKPBT-UHFFFAOYSA-N	372.493	5.227	10	50	FKCA	
CCCC[C@@H](CC)CN1C(=O)/C(=C/c2ccccc2Cl)SC1=S	2678117	YZUVYSJJUJJARI-YYTPVVGHSA-N	367.967	5.758	10	50	FKCA	
Cc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)o1	22310077	BPSNIXROUAHEAQ-QPEQYQDCSA-N	370.282	5.301	10	50	FKCA	
Cc1ccc2[nH]c(C)c(/C=C3/SC(=S)N(c4ccccc4)C3=O)c2c1	1180701	DBGZVGCADBEHRN-WOJGMQOQSA-N	364.495	5.191	10	50	FKCA	
Cc1ccc(C)c(C2=C/C(=C/c3cccn3-c3ccccc3F)C(=O)O2)c1	2998326	NOYZRKRDSMDXID-LGMDPLHJSA-N	359.400	5.215	10	50	FKCA	
Cc1cccc(N[C@H](c2ccsc2)c2ccc3ccc(C)nc3c2O)n1	5900693	XUADLNPKLQUVPV-LJQANCHMSA-N	361.470	5.215	10	50	FKCA	
Cc1ccccc1N1C(=O)/C(=C/c2ccc(C(C)C)cc2)SC1=S	2906471	XIDAPSDHPBGCQL-PDGQHHTCSA-N	353.512	5.524	10	50	FKCA	
C[C@H]1CCCCN1Cc1cc(-c2ccnc3cc(Cl)ccc23)ccc1O	11913339	YUVFHXMHAVVPMS-HNNXBMFYSA-N	366.892	5.635	10	50	FKCA	
CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc3ccccc13)N2	662668	IQYGQJPGTOMWDO-IZIIKQMZSA-N	369.464	5.843	10	50	FKCA	
Cc1ccc(C)n1-c1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1	991824	QXRBCKNRUBODTO-UHFFFAOYSA-N	358.363	5.365	10	50	FKCA	
Nc1ccc(/N=N/c2ccc(/N=N/c3ccccc3)cc2)c2ccccc12	87492891	NRWMZRAFXGWHLA-JQRDNDPDSA-N	351.413	7.253	10	50	FKCA	in-vitro
Cc1ccc(N2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)cc1C	1192344	DYKYHXPYNIETBQ-YBEGLDIGSA-N	359.903	5.363	10	50	FKCA	
Cc1ccc(C)c([C@@H](Nc2ccccn2)c2ccc3ccc(C)nc3c2O)c1	3003346	CZEWGZDDBKYTDQ-QHCPKHFHSA-N	369.468	5.462	10	50	FKCA	
COc1ccc(Cl)c2c1N[C@H](c1cccc([N+](=O)[O-])c1)[C@@H]1CC=C[C@H]21	4867571	VFMDMFIWJNIQKU-PMUMKWKESA-N	356.809	5.083	10	50	FKCA	
O=C(O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1C(F)(F)F)N2	101199698	RRCBSKUUIZVMFI-SNUQEOBHSA-N	359.347	5.230	10	50	FKCA	
O=C(O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1Cl)N2	5813791	DLSUYVWZOWUVHV-VFVRVIDISA-N	360.240	5.518	10	50	FKCA	
Cc1ccc(N2C(=O)/C(=C/c3ccc(C(C)C)cc3)SC2=S)cc1	2682676	ZNNYTCSENFEJLL-PDGQHHTCSA-N	353.512	5.524	10	50	FKCA	
CC[C@@]1(C)C[C@@](CCNCc2ccccc2O)(c2ccc(C)cc2)CCO1	4316720	AZZXQPIFKYDBCE-ZEQRLZLVSA-N	367.533	5.097	10	50	FKCA	
Cc1ccnc(N[C@@H](c2cccc(F)c2)c2ccc3ccc(C)nc3c2O)c1	4631192	GNDZBZLEBPQIFG-NRFANRHFSA-N	373.431	5.293	10	50	FKCA	
O=[N+]([O-])c1ccc([C@@H]2Nc3c(ccc(Cl)c3Cl)[C@H]3C=CC[C@@H]32)cc1	4718770	ZPJKTDFWUDJHPJ-DCGLDWPTSA-N	361.228	5.728	10	50	FKCA	
O=C(O)CCc1ccc(-c2cccs2)n1-c1ccc(Cl)c(Cl)c1	1075794	JYUGWUMYERKKFA-UHFFFAOYSA-N	366.269	5.530	10	50	FKCA	
Clc1ccc(-c2nc(-c3ccc(-n4cccc4)cc3)no2)c(Cl)c1	1423519	IGSBXIOGNAABCW-UHFFFAOYSA-N	356.212	5.501	10	50	FKCA	
O=[N+]([O-])c1ccccc1[C@@H]1Nc2ccc(Br)cc2[C@H]2C=CC[C@@H]21	4859614	IRFHZNUHWKNUKZ-ZJNRKIDTSA-N	371.234	5.184	10	50	FKCA	
O=[N+]([O-])c1ccc([C@@H]2Nc3c(cccc3C(F)(F)F)[C@@H]3C=CC[C@H]32)cc1	117841703	VJDUKWHSBOBGIY-CPUCHLNUSA-N	360.335	5.440	10	50	FKCA	
CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc3ccccc13)N2	169617622	IQYGQJPGTOMWDO-NHCICSSKSA-N	369.464	5.843	10	50	FKCA	
Clc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc(Br)c1)N2	169617270	AEQDRMSMUYTEKJ-IIDMSEBBSA-N	360.682	5.929	10	50	FKCA	
CC[C@]1(C)C[C@](CCNCc2ccccc2O)(c2ccc(C)cc2)CCO1	4316728	AZZXQPIFKYDBCE-DNQXCXABSA-N	367.533	5.097	10	50	FKCA	
O=[N+]([O-])c1ccccc1[C@@H]1Nc2c(Cl)ccc(Cl)c2[C@@H]2C=CC[C@@H]21	2877523	GUVRLNWUUKGYCY-VGTOOOLASA-N	361.228	5.728	10	50	FKCA	
CCc1ccc([C@@H](Nc2ccccn2)c2ccc3ccc(C)nc3c2O)cc1	2073890	AJSVECNNEHJUNH-JOCHJYFZSA-N	369.468	5.408	10	50	FKCA	
O=[N+]([O-])c1ccc([C@@H]2Nc3cc(Br)ccc3[C@@H]3C=CC[C@H]32)cc1	229942794	IKKHCPCGKDSXFD-LESCRADOSA-N	371.234	5.184	10	50	FKCA	
COc1ccc(-c2c(O)c3ccccc3c3nc4ccccc4nc23)cc1	4477905	ZIGSXFGKHXEQFO-UHFFFAOYSA-N	352.393	5.317	10	50	FKCA	
CC(C)(C)c1ccc(C(=O)Nc2ccc(/N=N/c3ccccc3)cc2)cc1	14004170	AKXXNSONRCGXAU-OCEACIFDSA-N	357.457	6.652	10	50	FKCA	
Cc1[nH]c2ccccc2c1/C=C1/SC(=S)N(c2cccc(F)c2)C1=O	969192	ZRUNQLZLDKBURZ-LICLKQGHSA-N	368.458	5.021	10	50	FKCA	
O=[N+]([O-])c1ccc([C@@H]2Nc3ccc(Br)cc3[C@H]3C=CC[C@@H]32)cc1	4321272	RZZXEWLABHHSFS-MPGHIAIKSA-N	371.234	5.184	10	50	FKCA	
CCOc1cc2c(c([N+](=O)[O-])c1)N[C@H](c1ccc(Cl)cc1)[C@@H]1CC=C[C@@H]21	12436450	QYAKBOFMEYSGMR-GPMSIDNRSA-N	370.836	5.473	10	50	FKCA	
O=[N+]([O-])c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc(Cl)c1Cl)N2	13575396	PHBVSCMSLCWYNX-FMTVUPSXSA-N	361.228	5.728	10	50	FKCA	
CN(C)C(=O)Nc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1	15685038	CZYYUBAHXQLYLK-UHFFFAOYSA-N	366.424	5.183	10	50	FKCA	
Cc1cccc(N[C@@H](c2cccc(F)c2)c2ccc3ccc(C)nc3c2O)n1	1168662	GVZQVZRICYOVPZ-NRFANRHFSA-N	373.431	5.293	10	50	FKCA	
Oc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1CN1CCCCC1	1596599	UJYGGGZVCNIHER-UHFFFAOYSA-N	367.880	5.323	10	50	FKCA	
Cc1ccc(N2C(=O)/C(=C/c3c(C)[nH]c4ccccc34)SC2=S)cc1	1160074	GGGNFNCTRXKLJY-WQRHYEAKSA-N	364.495	5.191	10	50	FKCA	
Cc1cccc(N[C@@H](c2ccccc2F)c2ccc3ccc(C)nc3c2O)n1	18190076	RDBINMITTVTLBK-QFIPXVFZSA-N	373.431	5.293	10	50	FKCA	
O=C1/C(=C/c2c[nH]c3ccccc23)SC(=S)N1c1ccc(Cl)cc1	19618543	OPMHQBJSJQGZEH-SXGWCWSVSA-N	370.886	5.227	10	50	FKCA	
Oc1ccc(-c2ccnc3cc(Cl)ccc23)cc1CN1CCCCC1	19147289	OMXZJUAJBHTSGG-UHFFFAOYSA-N	352.865	5.247	10	50	FKCA	
O=C(c1ccccc1)n1nc(-c2ccccc2)c2cccc-2c1-c1ccccc1	68586873	BUNNOHBVJOZCLI-UHFFFAOYSA-N	374.443	6.010	10	50	FKCA	biogenic
CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O	608172	OVCDSSHSILBFBN-UHFFFAOYSA-N	355.869	5.179	10	50	FKCA	biogenic,world
O=C1/C(=C\c2ccc(Cl)cc2)C=C(c2ccccc2)N1c1ccc(O)cc1	2301101	IMHWQIPPIXOVRK-JXAWBTAJSA-N	373.839	5.517	10	50	FKCA	
CN1C(=O)/C(=C\c2ccc(-c3cc(Cl)cc(Cl)c3)o2)SC1=S	5112734	KWTODJALOUXWAQ-NTUHNPAUSA-N	370.282	5.084	10	50	FKCA	
O=C(/N=N\C(=O)OCc1ccc(Cl)cc1)OCc1ccc(Cl)cc1	40442426	UIFGGABIJBWRMG-VXPUYCOJSA-N	367.188	5.419	10	50	FKCA	
Cc1cccc(N[C@@H](c2ccccc2C)c2ccc3ccc(C)nc3c2O)n1	2835117	CJMZOSQIZSOMOE-QHCPKHFHSA-N	369.468	5.462	10	50	FKCA	
Oc1ccc(-c2nc3ccccc3s2)cc1CNC1CCCCCC1	11786677	WSYWUNKWGJCEPG-UHFFFAOYSA-N	352.503	5.481	10	50	FKCA	
O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(/N=N/c2ccccc2)cc1	14833587	ZNKDAPBBXOBRDF-JYMOCPPFSA-N	361.832	6.407	10	50	FKCA	
O=C(O)CCc1ccc(-c2ccc(Cl)cc2)n1CCc1ccccc1	1147821	VESUYIKKSPJTDJ-UHFFFAOYSA-N	353.849	5.068	10	50	FKCA	
O=[N+]([O-])c1ccc([C@@H]2Nc3ccc(-c4ccccc4)cc3[C@@H]3C=CC[C@H]32)cc1	4984034	RHQFVKLDZXSRDJ-LGVFNWMJSA-N	368.436	6.088	10	50	FKCA	
COC(=O)c1ccc([C@@H]2Nc3c(cccc3C(F)(F)F)[C@@H]3C=CC[C@H]32)cc1	13389501	PVDJZHCWTWIQEG-RKVPGOIHSA-N	373.374	5.319	10	50	FKCA	
COc1cc([N+](=O)[O-])cc2c1N[C@H](c1cccc3ccccc13)[C@@H]1CC=C[C@H]21	4132220	FBHJZSNFOSACII-LRXVAGHRSA-N	372.424	5.583	10	50	FKCA	
Oc1ccc(-c2ccnc3cc(Cl)ccc23)cc1CN1CCCCCC1	12244212	UMJXIKWVRDDVDN-UHFFFAOYSA-N	366.892	5.637	10	50	FKCA	
Cc1ccc(/N=N/c2ccc(C)cc2NC(=O)Nc2cccc(F)c2)cc1	18193919	JTCAKZVUHYICDY-OCEACIFDSA-N	362.408	6.502	10	50	FKCA	
CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C\Nc1cccc2ccccc12	12410899	WBAOOSBAWDNAGE-HKWRFOASSA-N	373.431	5.478	10	50	FKCA	
CC(C)C(=O)N[C@@H](c1ccc(C(C)C)cc1)c1ccc2ccccc2c1O	2997513	IDSZEOVUYLOAOW-QFIPXVFZSA-N	361.485	5.530	10	50	FKCA	
CC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Br)cc1)N2	4797936	HMRIBYMYZOWQDH-UWVAXJGDSA-N	368.274	5.478	10	50	FKCA	
CN(C)c1ccc([C@H]2C=Cc3ccccc3N2C(=O)c2ccccc2)cc1	630704	HYJWDSUGACWKLB-HSZRJFAPSA-N	354.453	5.168	10	50	FKCA	
Cc1ccccc1C(=O)Nc1ccc(Oc2cccc3ccccc23)cc1	991703	SAVBFUWUUNCJGD-UHFFFAOYSA-N	353.421	6.193	10	50	FKCA	
CC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1Cl)N2	169617303	PKAWVAYJGJHNQI-SXGZJXTBSA-N	373.283	5.778	10	50	FKCA	
Brc1cc2c(cc1[C@@H]1Nc3ccccc3[C@@H]3C=CC[C@@H]31)OCO2	4959591	YOLTZIVRJAPVPH-MJLGCCKJSA-N	370.246	5.004	10	50	FKCA	aggregator,in-vitro
C[C@@H]1CCCN(c2ccc(/N=N/c3ccc(Br)cc3)cc2)C1	4774701	OBRCCIFDDNEESO-YYZBOFOMSA-N	358.283	6.101	10	50	FKCA	
CC(=O)N1c2ccc3ccccc3c2[C@@H]2C=CC[C@@H]2[C@@H]1c1ccc(F)cc1	4348241	RLVZOWSPGCXTFC-DPLHUUCSSA-N	357.428	5.746	10	50	FKCA	
O=C1c2ccccc2C(=O)c2c(Sc3nc4ccccc4s3)cccc21	4577828	WLOHBHOXSMWSGU-UHFFFAOYSA-N	373.458	5.223	10	50	FKCA	
CCCC[C@H](CC)CN1C(=O)/C(=C/c2ccc(OC)cc2)SC1=S	2696781	SGQIZJVIXOXZNM-VMOJBDSFSA-N	363.548	5.113	10	50	FKCA	
CC(C)(C)c1cc(CNc2ccc(F)c(Cl)c2)c(O)c(C(C)(C)C)c1	4989365	VVVGHNMJSOAPLU-UHFFFAOYSA-N	363.904	6.392	10	50	FKCA	
O=C1c2ccccc2C(=O)C1C1=Nc2ccccc2N[C@H](c2ccccc2)C1	100078636	MKWHUTIEFKGPMN-FQEVSTJZSA-N	366.420	5.011	10	50	FKCA	
CC(C)C(=O)N[C@H](c1ccccc1Cl)c1c(O)ccc2ccccc12	1197083	CIWRDWAUUPZWBL-HXUWFJFHSA-N	353.849	5.060	10	50	FKCA	
CCCC[C@H](CC)CN1C(=O)/C(=C/c2cccc(Cl)c2)SC1=S	2678123	HIOCZQCITFNUBG-RERGGYADSA-N	367.967	5.758	10	50	FKCA	
Oc1ccc(Cl)cc1C1=NN(c2ccccc2)[C@@H](c2ccc(F)cc2)C1	5737407	UPHBCHJNPJZJKB-HXUWFJFHSA-N	366.823	5.540	10	50	FKCA	biogenic
CCCC[C@@H](CC)CN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S	2905760	QBJUTJZSKWWVRL-YYTPVVGHSA-N	351.512	5.243	10	50	FKCA	
O=C(Nc1sc2c(c1/N=N/c1ccccc1)CCCC2)c1ccccc1	4350781	JLTUQMNBARUZIC-WCWDXBQESA-N	361.470	6.295	10	50	FKCA	
O=[N+]([O-])c1ccc([C@@H]2Nc3cc(Cl)cc(Cl)c3[C@@H]3C=CC[C@@H]32)cc1	169703633	OMFZKADNEBEVIC-GLJUWKHASA-N	361.228	5.728	10	50	FKCA	
CC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc(Br)c1)N2	226840236	BKBNMKOGRCQEKJ-MBOZVWFJSA-N	368.274	5.478	10	50	FKCA	
O=C1/C(=C\C=C\c2ccccc2Cl)SC(=S)N1C1CCCCC1	2999025	WOUHINJEUBMCSW-YUDPATCQSA-N	363.935	5.430	10	50	FKCA	
COC(=O)c1ccc([C@@H]2Nc3c(ccc4ccccc34)[C@@H]3C=CC[C@H]32)cc1	16448329	AUYZUYKXLPVXBH-SJBKTWHCSA-N	355.437	5.453	10	50	FKCA	
Cc1ccc(N[C@H](c2cccnc2)c2ccc3cccnc3c2O)cc1C	5009306	CASMHCYOFNJALE-OAQYLSRUSA-N	355.441	5.154	10	50	FKCA	
O=C(O)c1ccc([C@@H]2Nc3cc(Cl)cc(Cl)c3[C@@H]3C=CC[C@H]32)cc1	12628593	GGFWWCDGQIOLDN-LBTNJELSSA-N	360.240	5.518	10	50	FKCA	
Cc1ccc(C(C)C)c(OCc2nc(-c3ccc(-n4cccc4)cc3)no2)c1	4623299	LHLKZQGBXSROSR-UHFFFAOYSA-N	373.456	5.538	10	50	FKCA	
CCN(CC)c1ccc(N2C(=O)/C(=C\c3cccs3)SC2=S)cc1	5073570	BQBWZRIZBWWQAQ-FOWTUZBSSA-N	374.556	5.000	10	50	FKCA	
O=[N+]([O-])c1ccccc1[C@@H]1Nc2c(Cl)ccc(Cl)c2[C@@H]2C=CC[C@H]21	43775299	GUVRLNWUUKGYCY-CZIZLABSSA-N	361.228	5.728	10	50	FKCA	
Cc1ccc(C(=O)Nc2ccc3oc(-c4ccc(N(C)C)cc4)nc3c2)cc1	826372	YKMWSGJQCIYYAZ-UHFFFAOYSA-N	371.440	5.122	10	50	FKCA	
CN(C)c1ccc([C@@H](n2nnc3ccccc32)[Si](C)(C)C(C)(C)C)cc1	195792352	ADXBXIPABHFWLE-FQEVSTJZSA-N	366.585	5.134	10	50	FKCA	
Cc1ccc2c(c1)c1c3n2CCCN(Cc2ccc(N(C)C)cc2)[C@@H]3CCC1	5032387	NMGNBTNLLBPINX-XMMPIXPASA-N	373.544	5.299	10	50	FKCA	
COc1ccc2c(c1)c(=O)oc1c(C)c(O[C@H](C)c3ccccc3)ccc12	1164569	CIJXCVMZCYFXHO-OAHLLOKOSA-N	360.409	5.403	10	50	FKCA	
CN(C)c1ccc([C@H](n2nnc3ccccc32)[Si](C)(C)C(C)(C)C)cc1	195792353	ADXBXIPABHFWLE-HXUWFJFHSA-N	366.585	5.134	10	50	FKCA	
COc1cccc2c1N[C@H](c1ccc(Br)cc1)[C@@H]1CC=C[C@@H]21	13562562	KALBJMORMNIBFA-IIDMSEBBSA-N	356.263	5.284	10	50	FKCA	
COc1ccc(Cl)c2c1N[C@H](c1cccc3ccccc13)[C@@H]1CC=C[C@@H]21	15228629	SCCMJLKLLDFBGV-RADWXHQJSA-N	361.872	6.328	10	50	FKCA	
Cc1ccc(/N=N/c2ccc(C)cc2NC(=O)/C=C/c2ccccc2)cc1	18007478	OUJUYSLJMBCZDH-QBIPPLOUSA-N	355.441	6.371	10	50	FKCA	
CCN1/C(=C/c2ccc3cc(C)ccc3[n+]2CC)Sc2ccc(O)cc21	2385080	GQVLLUTYHQQBNE-UHFFFAOYSA-O	363.506	5.092	10	50	FKCA	
O=[N+]([O-])c1cccc2c1N[C@H](c1ccc(Br)cc1)[C@@H]1CC=C[C@H]21	4714159	OOLONEOOAVEPSE-JJRVBVJISA-N	371.234	5.184	10	50	FKCA	
CC(C)(C)c1ccc(Oc2ccc3noc4c3c2C(=O)c2ccccc2-4)cc1	850491	MWSHGAFQBVPKER-UHFFFAOYSA-N	369.420	6.129	10	50	FKCA	
O=C1/C(=C\C=C\c2ccccc2)SC(=S)N1c1ccc(Cl)cc1	2999846	AMUQXRPGNXKDGZ-LHQXNBGVSA-N	357.887	5.302	10	50	FKCA	
C/C(=C1/SC(=S)N(c2ccc(C)cc2C)C1=O)c1ccc(Cl)cc1	2700379	PIOJTPFFBDJSTP-LGMDPLHJSA-N	373.930	5.753	10	50	FKCA	
C[C@@H]1CN(c2ccc(/N=N/c3ccc(Br)cc3)cc2)C[C@@H](C)O1	4774716	IWGLIGZYIZOBGD-OKHLRRJLSA-N	374.282	5.478	10	50	FKCA	
COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@H](c1cccc(F)c1)N2	4699593	COGZNDMCDPGNTO-LBTNJELSSA-N	357.812	5.092	10	50	FKCA	
O=C(O)c1ccc([C@@H]2Nc3cc(Cl)cc(Cl)c3[C@@H]3C=CC[C@@H]32)cc1	59267176	GGFWWCDGQIOLDN-GLJUWKHASA-N	360.240	5.518	10	50	FKCA	
COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc3ccccc13)N2	169682362	VGGQQFMDNDVTNO-KKLQWCBXSA-N	355.437	5.453	10	50	FKCA	
c1ccc2c(c1)oc1cc(/N=N/c3ccc4c(c3)oc3ccccc34)ccc12	4798414	GTDCTXBROICUKZ-OCEACIFDSA-N	362.388	7.901	10	50	FKCA	
c1ccc2c(OCc3nc(-c4ccc(-n5cccc5)cc4)no3)cccc2c1	4708845	FQAQWPGCDKUJEA-UHFFFAOYSA-N	367.408	5.260	10	50	FKCA	
Oc1ccc(Br)cc1CNc1ccc(Oc2ccccc2)cc1	2544785	LNISEDUAYXMWMJ-UHFFFAOYSA-N	370.246	5.559	10	50	FKCA	
Cc1ccc(C)c([C@H](Nc2ccccn2)c2ccc3ccc(C)nc3c2O)c1	3003345	CZEWGZDDBKYTDQ-HSZRJFAPSA-N	369.468	5.462	10	50	FKCA	
Cc1ccc(C2=C/C(=C3\c4ccccc4-c4ncccc43)C(=O)O2)cc1C	2999945	VACGZMOCGRZEQG-XDOYNYLZSA-N	351.405	5.079	10	50	FKCA	
CC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Br)cc1)N2	4797939	HMRIBYMYZOWQDH-HLIPFELVSA-N	368.274	5.478	10	50	FKCA	
O=C(O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc(Cl)c1Cl)N2	101636598	PNARUOLTJDSYIV-SEDUGSJDSA-N	360.240	5.518	10	50	FKCA	
CC(C)C[C@@H]1CC(=O)Oc2c1c1nc3ccccc3nc1c1ccccc21	217869438	XWHXPHCIOXZGSQ-CQSZACIVSA-N	356.425	5.375	10	50	FKCA	biogenic
Oc1ccc2ccccc2c1N=Nc1ccc(N=Nc2ccccc2)cc1	245189235	FHNINJWBTRXEBC-UHFFFAOYSA-N	352.397	7.376	10	50	FKCA	in-vitro
CC(C)(C)c1cccc([C@H]2Nc3cc(Cl)ccc3-c3ccnn32)c1O	1908708298	MEOOEQSHSNYZQY-IBGZPJMESA-N	353.853	5.179	10	50	FKCA	
O=[N+]([O-])c1cc2c3c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N3C[C@H]1CC=C[C@@H]21	101632442	NZIKPNVRKKMIOU-VTCZHREGSA-N	370.452	5.489	10	50	FKCA	
CCCCCN1C(=O)/C(=C\c2c(Cl)cccc2Cl)SC1=S	5502592	TZQRPIWYWBUOHK-UKTHLTGXSA-N	360.331	5.385	10	50	FKCA